1 ALA 702 N 0.0107 0.0141 0.0054 2 ALA 702 HT2 0.0141 0.0171 0.0073 3 ALA 702 HT3 0.0100 0.0148 0.0036 4 ALA 702 HT1 0.0099 0.0101 0.0084 5 ALA 702 CA 0.0076 0.0139 0.0010 6 ALA 702 C 0.0087 0.0125 0.0041 7 ALA 702 O 0.0087 0.0083 0.0086 8 ALA 702 CB 0.0024 0.0093 -0.0020 9 ALA 702 HA 0.0084 0.0182 -0.0024 10 ALA 702 HB1 0.0017 0.0105 -0.0042 11 ALA 702 HB2 0.0001 0.0092 -0.0053 12 ALA 702 HB3 0.0016 0.0051 0.0014 13 LEU 703 N 0.0097 0.0160 0.0020 14 LEU 703 HN 0.0094 0.0192 -0.0020 15 LEU 703 CA 0.0113 0.0152 0.0051 16 LEU 703 C 0.0086 0.0156 0.0006 17 LEU 703 O 0.0082 0.0195 -0.0042 18 LEU 703 CB 0.0167 0.0200 0.0080 19 LEU 703 CG 0.0187 0.0199 0.0113 20 LEU 703 CD1 0.0182 0.0142 0.0165 21 LEU 703 CD2 0.0239 0.0252 0.0134 22 LEU 703 HA 0.0106 0.0109 0.0085 23 LEU 703 HB1 0.0173 0.0242 0.0046 24 LEU 703 HB2 0.0185 0.0195 0.0112 25 LEU 703 HG 0.0168 0.0201 0.0081 26 LEU 703 1HD1 0.0197 0.0143 0.0186 27 LEU 703 2HD1 0.0200 0.0137 0.0197 28 LEU 703 3HD1 0.0145 0.0105 0.0148 29 LEU 703 1HD2 0.0254 0.0251 0.0157 30 LEU 703 2HD2 0.0242 0.0292 0.0096 31 LEU 703 3HD2 0.0260 0.0252 0.0164 32 LEU 704 N 0.0064 0.0105 -0.0005 33 LEU 704 HN 0.0060 0.0100 0.0011 34 LEU 704 CA 0.0056 0.0091 -0.0018 35 LEU 704 C 0.0056 0.0093 -0.0005 36 LEU 704 O 0.0055 0.0092 0.0018 37 LEU 704 CB 0.0041 0.0069 -0.0016 38 LEU 704 CG 0.0031 0.0051 -0.0030 39 LEU 704 CD1 0.0032 0.0051 -0.0058 40 LEU 704 CD2 0.0018 0.0030 -0.0018 41 LEU 704 HA 0.0059 0.0096 -0.0037 42 LEU 704 HB1 0.0038 0.0065 0.0004 43 LEU 704 HB2 0.0042 0.0069 -0.0023 44 LEU 704 HG 0.0033 0.0054 -0.0028 45 LEU 704 1HD1 0.0024 0.0038 -0.0067 46 LEU 704 2HD1 0.0030 0.0047 -0.0060 47 LEU 704 3HD1 0.0041 0.0066 -0.0066 48 LEU 704 1HD2 0.0010 0.0018 -0.0028 49 LEU 704 2HD2 0.0017 0.0031 0.0002 50 LEU 704 3HD2 0.0016 0.0027 -0.0020 51 ARG 705 N 0.0058 0.0095 -0.0019 52 ARG 705 HN 0.0059 0.0096 -0.0038 53 ARG 705 CA 0.0057 0.0094 -0.0009 54 ARG 705 C 0.0043 0.0072 -0.0007 55 ARG 705 O 0.0036 0.0060 -0.0025 56 ARG 705 CB 0.0066 0.0107 -0.0025 57 ARG 705 CG 0.0080 0.0131 -0.0023 58 ARG 705 CD 0.0088 0.0142 -0.0042 59 ARG 705 NE 0.0102 0.0165 -0.0036 60 ARG 705 HE 0.0108 0.0175 -0.0042 61 ARG 705 CZ 0.0108 0.0175 -0.0022 62 ARG 705 NH1 0.0100 0.0164 -0.0012 63 ARG 705 1HH1 0.0105 0.0171 -0.0001 64 ARG 705 2HH1 0.0091 0.0148 -0.0015 65 ARG 705 NH2 0.0120 0.0196 -0.0018 66 ARG 705 1HH2 0.0124 0.0203 -0.0008 67 ARG 705 2HH2 0.0126 0.0204 -0.0026 68 ARG 705 HA 0.0061 0.0102 0.0010 69 ARG 705 HB1 0.0063 0.0103 -0.0045 70 ARG 705 HB2 0.0063 0.0102 -0.0021 71 ARG 705 HG1 0.0083 0.0136 -0.0004 72 ARG 705 HG2 0.0083 0.0136 -0.0024 73 ARG 705 HD1 0.0087 0.0140 -0.0060 74 ARG 705 HD2 0.0084 0.0136 -0.0043 75 ILE 706 N 0.0035 0.0071 -0.0004 76 ILE 706 HN 0.0035 0.0078 0.0002 77 ILE 706 CA 0.0027 0.0060 -0.0002 78 ILE 706 C 0.0025 0.0056 -0.0001 79 ILE 706 O 0.0024 0.0063 0.0006 80 ILE 706 CB 0.0020 0.0059 0.0009 81 ILE 706 CG1 0.0023 0.0065 0.0010 82 ILE 706 CG2 0.0012 0.0046 0.0010 83 ILE 706 CD1 0.0025 0.0060 0.0001 84 ILE 706 HA 0.0028 0.0054 -0.0010 85 ILE 706 HB 0.0019 0.0064 0.0016 86 ILE 706 1HG1 0.0029 0.0074 0.0010 87 ILE 706 2HG1 0.0018 0.0065 0.0019 88 ILE 706 1HG2 0.0008 0.0046 0.0018 89 ILE 706 2HG2 0.0014 0.0041 0.0003 90 ILE 706 3HG2 0.0011 0.0043 0.0010 91 ILE 706 1HD1 0.0027 0.0064 0.0002 92 ILE 706 2HD1 0.0030 0.0060 -0.0008 93 ILE 706 3HD1 0.0020 0.0051 0.0001 94 LEU 707 N 0.0024 0.0047 -0.0009 95 LEU 707 HN 0.0023 0.0041 -0.0014 96 LEU 707 CA 0.0023 0.0044 -0.0011 97 LEU 707 C 0.0015 0.0033 -0.0007 98 LEU 707 O 0.0011 0.0025 -0.0008 99 LEU 707 CB 0.0030 0.0043 -0.0023 100 LEU 707 CG 0.0039 0.0054 -0.0028 101 LEU 707 CD1 0.0045 0.0052 -0.0040 102 LEU 707 CD2 0.0042 0.0066 -0.0021 103 LEU 707 HA 0.0024 0.0051 -0.0005 104 LEU 707 HB1 0.0029 0.0035 -0.0029 105 LEU 707 HB2 0.0030 0.0043 -0.0024 106 LEU 707 HG 0.0038 0.0054 -0.0027 107 LEU 707 1HD1 0.0051 0.0060 -0.0043 108 LEU 707 2HD1 0.0045 0.0051 -0.0041 109 LEU 707 3HD1 0.0043 0.0044 -0.0045 110 LEU 707 1HD2 0.0048 0.0073 -0.0025 111 LEU 707 2HD2 0.0038 0.0068 -0.0012 112 LEU 707 3HD2 0.0042 0.0066 -0.0023 113 LYS 708 N 0.0014 0.0046 0.0003 114 LYS 708 HN 0.0011 0.0047 0.0004 115 LYS 708 CA 0.0005 0.0037 0.0005 116 LYS 708 C 0.0013 0.0022 0.0003 117 LYS 708 O 0.0022 0.0017 0.0001 118 LYS 708 CB -0.0009 0.0033 0.0009 119 LYS 708 CG -0.0017 0.0047 0.0011 120 LYS 708 CD -0.0030 0.0043 0.0015 121 LYS 708 CE -0.0038 0.0057 0.0017 122 LYS 708 NZ -0.0051 0.0053 0.0021 123 LYS 708 HZ1 -0.0056 0.0062 0.0022 124 LYS 708 HZ2 -0.0057 0.0046 0.0023 125 LYS 708 HZ3 -0.0049 0.0046 0.0020 126 LYS 708 HA 0.0003 0.0042 0.0006 127 LYS 708 HB1 -0.0006 0.0027 0.0009 128 LYS 708 HB2 -0.0015 0.0026 0.0011 129 LYS 708 HG1 -0.0020 0.0052 0.0012 130 LYS 708 HG2 -0.0010 0.0054 0.0010 131 LYS 708 HD1 -0.0027 0.0037 0.0014 132 LYS 708 HD2 -0.0037 0.0037 0.0017 133 LYS 708 HE1 -0.0040 0.0063 0.0018 134 LYS 708 HE2 -0.0031 0.0063 0.0015 135 GLU 709 N 0.0008 0.0016 0.0005 136 GLU 709 HN 0.0001 0.0021 0.0007 137 GLU 709 CA 0.0013 0.0001 0.0003 138 GLU 709 C 0.0010 -0.0010 0.0004 139 GLU 709 O 0.0019 -0.0019 0.0002 140 GLU 709 CB 0.0006 -0.0003 0.0005 141 GLU 709 CG 0.0014 -0.0015 0.0003 142 GLU 709 CD 0.0006 -0.0020 0.0005 143 GLU 709 OE1 0.0010 -0.0016 0.0004 144 GLU 709 OE2 -0.0005 -0.0027 0.0008 145 GLU 709 HA 0.0025 0.0002 0.0000 146 GLU 709 HB1 0.0006 0.0007 0.0005 147 GLU 709 HB2 -0.0004 -0.0006 0.0008 148 GLU 709 HG1 0.0016 -0.0024 0.0003 149 GLU 709 HG2 0.0024 -0.0011 0.0000 150 THR 710 N 0.0008 -0.0009 0.0025 151 THR 710 HN 0.0003 -0.0003 0.0025 152 THR 710 CA 0.0002 -0.0015 0.0030 153 THR 710 C 0.0003 -0.0013 0.0029 154 THR 710 O 0.0001 -0.0019 0.0032 155 THR 710 CB -0.0010 -0.0014 0.0033 156 THR 710 CG2 -0.0011 -0.0020 0.0036 157 THR 710 OG1 -0.0014 -0.0004 0.0031 158 THR 710 HG1 -0.0021 -0.0004 0.0033 159 THR 710 HA 0.0005 -0.0023 0.0032 160 THR 710 HB -0.0014 -0.0018 0.0036 161 THR 710 1HG2 -0.0019 -0.0020 0.0038 162 THR 710 2HG2 -0.0007 -0.0016 0.0033 163 THR 710 3HG2 -0.0008 -0.0028 0.0038 164 GLU 711 N 0.0005 -0.0003 0.0024 165 GLU 711 HN 0.0006 0.0002 0.0022 166 GLU 711 CA 0.0007 -0.0000 0.0023 167 GLU 711 C 0.0017 -0.0005 0.0021 168 GLU 711 O 0.0019 -0.0005 0.0021 169 GLU 711 CB 0.0006 0.0012 0.0019 170 GLU 711 CG -0.0006 0.0017 0.0020 171 GLU 711 CD -0.0006 0.0028 0.0016 172 GLU 711 OE1 0.0000 0.0033 0.0012 173 GLU 711 OE2 -0.0012 0.0032 0.0017 174 GLU 711 HA 0.0001 -0.0003 0.0026 175 GLU 711 HB1 0.0009 0.0015 0.0016 176 GLU 711 HB2 0.0010 0.0014 0.0017 177 GLU 711 HG1 -0.0010 0.0013 0.0023 178 GLU 711 HG2 -0.0010 0.0016 0.0022 179 PHE 712 N 0.0021 -0.0003 0.0011 180 PHE 712 HN 0.0023 -0.0008 0.0013 181 PHE 712 CA 0.0029 -0.0009 0.0005 182 PHE 712 C 0.0032 -0.0021 0.0014 183 PHE 712 O 0.0036 -0.0030 0.0020 184 PHE 712 CB 0.0039 -0.0013 -0.0007 185 PHE 712 CG 0.0037 -0.0001 -0.0018 186 PHE 712 CD1 0.0035 0.0005 -0.0023 187 PHE 712 CD2 0.0038 0.0003 -0.0025 188 PHE 712 CE1 0.0035 0.0015 -0.0035 189 PHE 712 CE2 0.0039 0.0012 -0.0037 190 PHE 712 CZ 0.0037 0.0018 -0.0042 191 PHE 712 HA 0.0026 -0.0002 0.0001 192 PHE 712 HB1 0.0041 -0.0017 -0.0005 193 PHE 712 HB2 0.0045 -0.0020 -0.0009 194 PHE 712 HD1 0.0034 0.0002 -0.0017 195 PHE 712 HD2 0.0038 -0.0001 -0.0020 196 PHE 712 HE1 0.0033 0.0021 -0.0038 197 PHE 712 HE2 0.0041 0.0014 -0.0043 198 PHE 712 HZ 0.0037 0.0026 -0.0052 199 LYS 713 N 0.0032 -0.0021 0.0014 200 LYS 713 HN 0.0029 -0.0013 0.0009 201 LYS 713 CA 0.0036 -0.0032 0.0022 202 LYS 713 C 0.0044 -0.0035 0.0013 203 LYS 713 O 0.0042 -0.0028 0.0007 204 LYS 713 CB 0.0027 -0.0030 0.0035 205 LYS 713 CG 0.0020 -0.0029 0.0045 206 LYS 713 CD 0.0013 -0.0031 0.0059 207 LYS 713 CE 0.0008 -0.0033 0.0070 208 LYS 713 NZ 0.0002 -0.0036 0.0084 209 LYS 713 HZ1 -0.0002 -0.0038 0.0091 210 LYS 713 HZ2 0.0007 -0.0044 0.0086 211 LYS 713 HZ3 -0.0003 -0.0030 0.0084 212 LYS 713 HA 0.0039 -0.0040 0.0025 213 LYS 713 HB1 0.0022 -0.0021 0.0032 214 LYS 713 HB2 0.0030 -0.0038 0.0039 215 LYS 713 HG1 0.0025 -0.0037 0.0046 216 LYS 713 HG2 0.0015 -0.0020 0.0042 217 LYS 713 HD1 0.0007 -0.0022 0.0059 218 LYS 713 HD2 0.0017 -0.0039 0.0062 219 LYS 713 HE1 0.0014 -0.0041 0.0070 220 LYS 713 HE2 0.0002 -0.0024 0.0069 221 LYS 714 N 0.0025 -0.0015 -0.0035 222 LYS 714 HN 0.0025 -0.0012 -0.0037 223 LYS 714 CA 0.0022 -0.0013 -0.0031 224 LYS 714 C 0.0023 -0.0012 -0.0033 225 LYS 714 O 0.0024 -0.0011 -0.0037 226 LYS 714 CB 0.0020 -0.0007 -0.0030 227 LYS 714 CG 0.0019 -0.0007 -0.0028 228 LYS 714 CD 0.0017 -0.0002 -0.0028 229 LYS 714 CE 0.0016 -0.0002 -0.0025 230 LYS 714 NZ 0.0014 0.0003 -0.0025 231 LYS 714 HZ1 0.0013 0.0003 -0.0024 232 LYS 714 HZ2 0.0012 0.0005 -0.0023 233 LYS 714 HZ3 0.0014 0.0005 -0.0029 234 LYS 714 HA 0.0021 -0.0015 -0.0027 235 LYS 714 HB1 0.0020 -0.0004 -0.0034 236 LYS 714 HB2 0.0018 -0.0005 -0.0027 237 LYS 714 HG1 0.0018 -0.0010 -0.0024 238 LYS 714 HG2 0.0021 -0.0010 -0.0030 239 LYS 714 HD1 0.0018 0.0000 -0.0032 240 LYS 714 HD2 0.0015 0.0000 -0.0026 241 LYS 714 HE1 0.0015 -0.0004 -0.0022 242 LYS 714 HE2 0.0018 -0.0005 -0.0028 243 ILE 715 N 0.0021 -0.0012 -0.0029 244 ILE 715 HN 0.0020 -0.0014 -0.0025 245 ILE 715 CA 0.0021 -0.0010 -0.0030 246 ILE 715 C 0.0018 -0.0005 -0.0027 247 ILE 715 O 0.0017 -0.0001 -0.0030 248 ILE 715 CB 0.0022 -0.0015 -0.0028 249 ILE 715 CG1 0.0025 -0.0020 -0.0031 250 ILE 715 CG2 0.0021 -0.0014 -0.0028 251 ILE 715 CD1 0.0026 -0.0025 -0.0029 252 ILE 715 HA 0.0022 -0.0009 -0.0034 253 ILE 715 HB 0.0020 -0.0017 -0.0024 254 ILE 715 1HG1 0.0026 -0.0019 -0.0035 255 ILE 715 2HG1 0.0025 -0.0021 -0.0031 256 ILE 715 1HG2 0.0022 -0.0017 -0.0027 257 ILE 715 2HG2 0.0023 -0.0012 -0.0032 258 ILE 715 3HG2 0.0019 -0.0010 -0.0026 259 ILE 715 1HD1 0.0028 -0.0028 -0.0031 260 ILE 715 2HD1 0.0025 -0.0024 -0.0029 261 ILE 715 3HD1 0.0024 -0.0026 -0.0025 262 LYS 716 N 0.0013 0.0011 -0.0039 263 LYS 716 HN 0.0014 0.0003 -0.0033 264 LYS 716 CA 0.0006 0.0021 -0.0031 265 LYS 716 C 0.0001 0.0023 -0.0016 266 LYS 716 O 0.0004 0.0014 -0.0011 267 LYS 716 CB 0.0007 0.0017 -0.0027 268 LYS 716 CG 0.0009 0.0019 -0.0040 269 LYS 716 CD 0.0011 0.0013 -0.0038 270 LYS 716 CE 0.0015 0.0013 -0.0052 271 LYS 716 NZ 0.0017 0.0008 -0.0050 272 LYS 716 HZ1 0.0020 0.0008 -0.0059 273 LYS 716 HZ2 0.0012 0.0014 -0.0042 274 LYS 716 HZ3 0.0020 -0.0002 -0.0044 275 LYS 716 HA 0.0003 0.0031 -0.0038 276 LYS 716 HB1 0.0010 0.0006 -0.0023 277 LYS 716 HB2 0.0002 0.0023 -0.0018 278 LYS 716 HG1 0.0005 0.0030 -0.0043 279 LYS 716 HG2 0.0014 0.0014 -0.0049 280 LYS 716 HD1 0.0015 0.0002 -0.0032 281 LYS 716 HD2 0.0007 0.0019 -0.0030 282 LYS 716 HE1 0.0012 0.0024 -0.0058 283 LYS 716 HE2 0.0020 0.0006 -0.0059 284 VAL 717 N -0.0006 0.0034 -0.0009 285 VAL 717 HN -0.0008 0.0041 -0.0014 286 VAL 717 CA -0.0011 0.0037 0.0005 287 VAL 717 C -0.0012 0.0030 0.0017 288 VAL 717 O -0.0012 0.0031 0.0017 289 VAL 717 CB -0.0018 0.0053 0.0006 290 VAL 717 CG1 -0.0024 0.0056 0.0020 291 VAL 717 CG2 -0.0018 0.0060 -0.0008 292 VAL 717 HA -0.0009 0.0033 0.0005 293 VAL 717 HB -0.0020 0.0057 0.0006 294 VAL 717 1HG1 -0.0029 0.0067 0.0021 295 VAL 717 2HG1 -0.0022 0.0051 0.0020 296 VAL 717 3HG1 -0.0024 0.0051 0.0030 297 VAL 717 1HG2 -0.0023 0.0071 -0.0007 298 VAL 717 2HG2 -0.0014 0.0058 -0.0018 299 VAL 717 3HG2 -0.0016 0.0056 -0.0008 300 LEU 718 N -0.0017 0.0029 0.0024 301 LEU 718 HN -0.0014 0.0023 0.0025 302 LEU 718 CA -0.0023 0.0024 0.0034 303 LEU 718 C -0.0036 0.0030 0.0045 304 LEU 718 O -0.0044 0.0033 0.0051 305 LEU 718 CB -0.0017 0.0008 0.0041 306 LEU 718 CG -0.0003 0.0000 0.0032 307 LEU 718 CD1 0.0003 -0.0015 0.0038 308 LEU 718 CD2 -0.0002 0.0001 0.0030 309 LEU 718 HA -0.0022 0.0028 0.0030 310 LEU 718 HB1 -0.0017 0.0004 0.0045 311 LEU 718 HB2 -0.0022 0.0005 0.0050 312 LEU 718 HG 0.0002 0.0006 0.0022 313 LEU 718 1HD1 0.0013 -0.0021 0.0031 314 LEU 718 2HD1 -0.0001 -0.0021 0.0048 315 LEU 718 3HD1 0.0003 -0.0016 0.0039 316 LEU 718 1HD2 0.0008 -0.0004 0.0023 317 LEU 718 2HD2 -0.0006 0.0012 0.0025 318 LEU 718 3HD2 -0.0006 -0.0004 0.0039 319 GLY 719 N -0.0040 0.0031 0.0048 320 GLY 719 HN -0.0033 0.0029 0.0042 321 GLY 719 CA -0.0052 0.0036 0.0058 322 GLY 719 C -0.0054 0.0035 0.0060 323 GLY 719 O -0.0045 0.0025 0.0059 324 GLY 719 HA1 -0.0058 0.0047 0.0055 325 GLY 719 HA2 -0.0056 0.0030 0.0067 326 SER 720 N -0.0048 0.0042 0.0059 327 SER 720 HN -0.0054 0.0055 0.0072 328 SER 720 CA -0.0034 0.0038 0.0046 329 SER 720 C -0.0046 0.0035 0.0052 330 SER 720 O -0.0055 0.0047 0.0067 331 SER 720 CB -0.0012 0.0057 0.0041 332 SER 720 OG -0.0014 0.0079 0.0057 333 SER 720 HG -0.0000 0.0090 0.0054 334 SER 720 HA -0.0032 0.0023 0.0033 335 SER 720 HB1 -0.0003 0.0054 0.0032 336 SER 720 HB2 -0.0004 0.0057 0.0034 337 GLY 721 N -0.0046 0.0017 0.0040 338 GLY 721 HN -0.0039 0.0007 0.0028 339 GLY 721 CA -0.0056 0.0012 0.0044 340 GLY 721 C -0.0039 0.0016 0.0034 341 GLY 721 O -0.0020 0.0027 0.0027 342 GLY 721 HA1 -0.0065 0.0023 0.0059 343 GLY 721 HA2 -0.0066 -0.0005 0.0040 344 ALA 722 N -0.0006 -0.0043 0.0045 345 ALA 722 HN -0.0002 -0.0047 0.0054 346 ALA 722 CA -0.0006 -0.0025 0.0040 347 ALA 722 C -0.0015 -0.0022 0.0024 348 ALA 722 O -0.0018 -0.0011 0.0014 349 ALA 722 CB 0.0003 -0.0015 0.0052 350 ALA 722 HA -0.0006 -0.0020 0.0039 351 ALA 722 HB1 0.0003 -0.0001 0.0048 352 ALA 722 HB2 0.0003 -0.0020 0.0054 353 ALA 722 HB3 0.0008 -0.0017 0.0062 354 PHE 723 N -0.0018 -0.0032 0.0021 355 PHE 723 HN -0.0015 -0.0041 0.0029 356 PHE 723 CA -0.0026 -0.0031 0.0007 357 PHE 723 C -0.0035 -0.0038 -0.0007 358 PHE 723 O -0.0042 -0.0031 -0.0020 359 PHE 723 CB -0.0026 -0.0041 0.0010 360 PHE 723 CG -0.0018 -0.0034 0.0022 361 PHE 723 CD1 -0.0010 -0.0040 0.0038 362 PHE 723 CD2 -0.0018 -0.0022 0.0018 363 PHE 723 CE1 -0.0003 -0.0034 0.0048 364 PHE 723 CE2 -0.0011 -0.0015 0.0028 365 PHE 723 CZ -0.0003 -0.0021 0.0043 366 PHE 723 HA -0.0025 -0.0017 0.0004 367 PHE 723 HB1 -0.0026 -0.0054 0.0014 368 PHE 723 HB2 -0.0032 -0.0041 -0.0000 369 PHE 723 HD1 -0.0009 -0.0050 0.0042 370 PHE 723 HD2 -0.0025 -0.0019 0.0006 371 PHE 723 HE1 0.0003 -0.0039 0.0060 372 PHE 723 HE2 -0.0012 -0.0004 0.0024 373 PHE 723 HZ 0.0003 -0.0015 0.0052 374 GLY 724 N -0.0025 -0.0024 -0.0024 375 GLY 724 HN -0.0033 -0.0022 -0.0020 376 GLY 724 CA -0.0015 -0.0018 -0.0027 377 GLY 724 C -0.0019 -0.0010 -0.0022 378 GLY 724 O -0.0027 -0.0005 -0.0016 379 GLY 724 HA1 -0.0009 -0.0013 -0.0028 380 GLY 724 HA2 -0.0011 -0.0025 -0.0031 381 THR 725 N -0.0014 -0.0010 -0.0024 382 THR 725 HN -0.0008 -0.0015 -0.0029 383 THR 725 CA -0.0016 -0.0001 -0.0020 384 THR 725 C -0.0017 -0.0008 -0.0022 385 THR 725 O -0.0011 -0.0015 -0.0028 386 THR 725 CB -0.0006 0.0009 -0.0021 387 THR 725 CG2 -0.0008 0.0018 -0.0017 388 THR 725 OG1 -0.0004 0.0015 -0.0020 389 THR 725 HG1 -0.0002 0.0009 -0.0023 390 THR 725 HA -0.0023 0.0002 -0.0015 391 THR 725 HB 0.0002 0.0005 -0.0026 392 THR 725 1HG2 -0.0001 0.0025 -0.0018 393 THR 725 2HG2 -0.0016 0.0022 -0.0012 394 THR 725 3HG2 -0.0010 0.0014 -0.0018 395 VAL 726 N -0.0014 0.0002 0.0000 396 VAL 726 HN -0.0019 0.0007 0.0002 397 VAL 726 CA -0.0010 -0.0004 -0.0001 398 VAL 726 C -0.0005 0.0001 -0.0007 399 VAL 726 O -0.0008 0.0007 -0.0008 400 VAL 726 CB -0.0015 -0.0009 0.0005 401 VAL 726 CG1 -0.0010 -0.0015 0.0004 402 VAL 726 CG2 -0.0018 -0.0014 0.0011 403 VAL 726 HA -0.0006 -0.0010 -0.0002 404 VAL 726 HB -0.0019 -0.0003 0.0007 405 VAL 726 1HG1 -0.0013 -0.0018 0.0009 406 VAL 726 2HG1 -0.0005 -0.0020 0.0003 407 VAL 726 3HG1 -0.0007 -0.0011 -0.0000 408 VAL 726 1HG2 -0.0022 -0.0017 0.0016 409 VAL 726 2HG2 -0.0022 -0.0010 0.0012 410 VAL 726 3HG2 -0.0014 -0.0019 0.0010 411 TYR 727 N 0.0002 -0.0003 -0.0012 412 TYR 727 HN 0.0004 -0.0009 -0.0011 413 TYR 727 CA 0.0007 0.0000 -0.0018 414 TYR 727 C 0.0011 -0.0006 -0.0018 415 TYR 727 O 0.0013 -0.0015 -0.0016 416 TYR 727 CB 0.0014 0.0001 -0.0025 417 TYR 727 CG 0.0012 0.0009 -0.0026 418 TYR 727 CD1 0.0009 0.0008 -0.0023 419 TYR 727 CD2 0.0013 0.0017 -0.0031 420 TYR 727 CE1 0.0007 0.0016 -0.0025 421 TYR 727 CE2 0.0011 0.0025 -0.0033 422 TYR 727 CZ 0.0008 0.0024 -0.0030 423 TYR 727 OH 0.0007 0.0031 -0.0032 424 TYR 727 HH 0.0007 0.0037 -0.0036 425 TYR 727 HA 0.0004 0.0007 -0.0019 426 TYR 727 HB1 0.0016 -0.0005 -0.0024 427 TYR 727 HB2 0.0018 0.0002 -0.0029 428 TYR 727 HD1 0.0008 0.0002 -0.0019 429 TYR 727 HD2 0.0015 0.0018 -0.0033 430 TYR 727 HE1 0.0004 0.0015 -0.0023 431 TYR 727 HE2 0.0011 0.0031 -0.0037 432 LYS 728 N 0.0021 -0.0007 0.0006 433 LYS 728 HN 0.0020 -0.0004 0.0005 434 LYS 728 CA 0.0025 -0.0014 0.0004 435 LYS 728 C 0.0027 -0.0015 -0.0004 436 LYS 728 O 0.0026 -0.0011 -0.0009 437 LYS 728 CB 0.0025 -0.0015 0.0003 438 LYS 728 CG 0.0029 -0.0022 0.0001 439 LYS 728 CD 0.0029 -0.0022 0.0001 440 LYS 728 CE 0.0033 -0.0029 -0.0002 441 LYS 728 NZ 0.0033 -0.0029 -0.0004 442 LYS 728 HZ1 0.0036 -0.0033 -0.0005 443 LYS 728 HZ2 0.0032 -0.0025 -0.0007 444 LYS 728 HZ3 0.0032 -0.0027 0.0000 445 LYS 728 HA 0.0026 -0.0018 0.0007 446 LYS 728 HB1 0.0024 -0.0014 0.0009 447 LYS 728 HB2 0.0024 -0.0011 -0.0001 448 LYS 728 HG1 0.0030 -0.0023 -0.0004 449 LYS 728 HG2 0.0030 -0.0025 0.0006 450 LYS 728 HD1 0.0028 -0.0021 0.0006 451 LYS 728 HD2 0.0028 -0.0018 -0.0003 452 LYS 728 HE1 0.0034 -0.0030 -0.0006 453 LYS 728 HE2 0.0034 -0.0033 0.0003 454 GLY 729 N 0.0029 -0.0020 -0.0005 455 GLY 729 HN 0.0030 -0.0023 -0.0001 456 GLY 729 CA 0.0031 -0.0020 -0.0012 457 GLY 729 C 0.0034 -0.0028 -0.0014 458 GLY 729 O 0.0036 -0.0032 -0.0009 459 GLY 729 HA1 0.0030 -0.0018 -0.0016 460 GLY 729 HA2 0.0030 -0.0018 -0.0012 461 LEU 730 N 0.0047 -0.0034 0.0008 462 LEU 730 HN 0.0047 -0.0037 0.0011 463 LEU 730 CA 0.0038 -0.0028 0.0009 464 LEU 730 C 0.0034 -0.0023 0.0007 465 LEU 730 O 0.0036 -0.0026 0.0009 466 LEU 730 CB 0.0032 -0.0032 0.0017 467 LEU 730 CG 0.0035 -0.0037 0.0020 468 LEU 730 CD1 0.0029 -0.0041 0.0028 469 LEU 730 CD2 0.0036 -0.0033 0.0015 470 LEU 730 HA 0.0038 -0.0024 0.0005 471 LEU 730 HB1 0.0031 -0.0035 0.0021 472 LEU 730 HB2 0.0026 -0.0027 0.0017 473 LEU 730 HG 0.0041 -0.0042 0.0020 474 LEU 730 1HD1 0.0032 -0.0045 0.0030 475 LEU 730 2HD1 0.0023 -0.0037 0.0029 476 LEU 730 3HD1 0.0029 -0.0045 0.0032 477 LEU 730 1HD2 0.0039 -0.0037 0.0018 478 LEU 730 2HD2 0.0041 -0.0031 0.0009 479 LEU 730 3HD2 0.0030 -0.0029 0.0015 480 TRP 731 N 0.0029 -0.0016 0.0003 481 TRP 731 HN 0.0028 -0.0014 0.0002 482 TRP 731 CA 0.0025 -0.0010 0.0001 483 TRP 731 C 0.0015 -0.0007 0.0005 484 TRP 731 O 0.0012 -0.0005 0.0006 485 TRP 731 CB 0.0028 -0.0004 -0.0008 486 TRP 731 CG 0.0024 0.0003 -0.0011 487 TRP 731 CD1 0.0022 0.0003 -0.0010 488 TRP 731 CD2 0.0020 0.0011 -0.0016 489 TRP 731 CE2 0.0016 0.0015 -0.0018 490 TRP 731 CE3 0.0020 0.0014 -0.0019 491 TRP 731 NE1 0.0017 0.0010 -0.0014 492 TRP 731 HE1 0.0015 0.0012 -0.0013 493 TRP 731 CZ2 0.0012 0.0023 -0.0022 494 TRP 731 CZ3 0.0016 0.0022 -0.0024 495 TRP 731 CH2 0.0012 0.0027 -0.0026 496 TRP 731 HA 0.0027 -0.0013 0.0002 497 TRP 731 HB1 0.0035 -0.0006 -0.0010 498 TRP 731 HB2 0.0027 -0.0002 -0.0009 499 TRP 731 HD1 0.0024 -0.0002 -0.0006 500 TRP 731 HE3 0.0023 0.0011 -0.0018 501 TRP 731 HZ2 0.0009 0.0027 -0.0023 502 TRP 731 HZ3 0.0015 0.0025 -0.0027 503 TRP 731 HH2 0.0009 0.0033 -0.0029 504 ILE 732 N 0.0004 -0.0023 0.0035 505 ILE 732 HN 0.0011 -0.0023 0.0034 506 ILE 732 CA -0.0003 -0.0023 0.0036 507 ILE 732 C -0.0003 -0.0025 0.0025 508 ILE 732 O 0.0005 -0.0025 0.0022 509 ILE 732 CB 0.0001 -0.0022 0.0044 510 ILE 732 CG1 0.0001 -0.0021 0.0054 511 ILE 732 CG2 -0.0005 -0.0022 0.0044 512 ILE 732 CD1 0.0006 -0.0019 0.0063 513 ILE 732 HA -0.0010 -0.0023 0.0038 514 ILE 732 HB 0.0009 -0.0022 0.0042 515 ILE 732 1HG1 -0.0007 -0.0020 0.0056 516 ILE 732 2HG1 0.0005 -0.0021 0.0053 517 ILE 732 1HG2 -0.0003 -0.0021 0.0049 518 ILE 732 2HG2 -0.0013 -0.0022 0.0046 519 ILE 732 3HG2 -0.0005 -0.0023 0.0036 520 ILE 732 1HD1 0.0006 -0.0018 0.0070 521 ILE 732 2HD1 0.0002 -0.0019 0.0063 522 ILE 732 3HD1 0.0014 -0.0019 0.0061 523 PRO 733 N -0.0011 -0.0026 0.0019 524 PRO 733 CA -0.0012 -0.0027 0.0010 525 PRO 733 C -0.0013 -0.0027 0.0012 526 PRO 733 O -0.0016 -0.0025 0.0021 527 PRO 733 CB -0.0023 -0.0028 0.0006 528 PRO 733 CG -0.0028 -0.0026 0.0015 529 PRO 733 CD -0.0020 -0.0025 0.0021 530 PRO 733 HA -0.0006 -0.0028 0.0005 531 PRO 733 HB1 -0.0027 -0.0028 0.0002 532 PRO 733 HB2 -0.0021 -0.0028 -0.0000 533 PRO 733 HG1 -0.0032 -0.0026 0.0019 534 PRO 733 HG2 -0.0034 -0.0027 0.0013 535 PRO 733 HD1 -0.0022 -0.0024 0.0029 536 PRO 733 HD2 -0.0018 -0.0026 0.0019 537 GLU 734 N 0.0021 -0.0034 0.0042 538 GLU 734 HN 0.0025 -0.0034 0.0036 539 GLU 734 CA 0.0021 -0.0035 0.0038 540 GLU 734 C 0.0010 -0.0039 0.0043 541 GLU 734 O -0.0001 -0.0043 0.0043 542 GLU 734 CB 0.0022 -0.0037 0.0022 543 GLU 734 CG 0.0035 -0.0032 0.0016 544 GLU 734 CD 0.0038 -0.0033 0.0002 545 GLU 734 OE1 0.0031 -0.0036 -0.0003 546 GLU 734 OE2 0.0048 -0.0029 -0.0004 547 GLU 734 HA 0.0029 -0.0031 0.0041 548 GLU 734 HB1 0.0015 -0.0040 0.0018 549 GLU 734 HB2 0.0021 -0.0037 0.0019 550 GLU 734 HG1 0.0042 -0.0028 0.0022 551 GLU 734 HG2 0.0034 -0.0032 0.0016 552 GLY 735 N 0.0014 -0.0037 0.0049 553 GLY 735 HN 0.0023 -0.0033 0.0047 554 GLY 735 CA 0.0005 -0.0039 0.0058 555 GLY 735 C 0.0008 -0.0036 0.0072 556 GLY 735 O 0.0017 -0.0032 0.0075 557 GLY 735 HA1 0.0007 -0.0038 0.0056 558 GLY 735 HA2 -0.0004 -0.0043 0.0056 559 GLU 736 N 0.0054 -0.0108 0.0097 560 GLU 736 HN 0.0080 -0.0116 0.0099 561 GLU 736 CA 0.0021 -0.0053 0.0087 562 GLU 736 C -0.0000 -0.0036 0.0084 563 GLU 736 O 0.0020 0.0008 0.0076 564 GLU 736 CB 0.0059 -0.0003 0.0078 565 GLU 736 CG 0.0021 0.0047 0.0069 566 GLU 736 CD -0.0011 0.0032 0.0071 567 GLU 736 OE1 0.0016 0.0001 0.0077 568 GLU 736 OE2 -0.0062 0.0057 0.0067 569 GLU 736 HA -0.0019 -0.0061 0.0089 570 GLU 736 HB1 0.0088 -0.0024 0.0082 571 GLU 736 HB2 0.0087 0.0016 0.0074 572 GLU 736 HG1 0.0052 0.0084 0.0062 573 GLU 736 HG2 -0.0013 0.0061 0.0066 574 LYS 737 N -0.0040 -0.0072 0.0091 575 LYS 737 HN -0.0056 -0.0109 0.0098 576 LYS 737 CA -0.0060 -0.0062 0.0089 577 LYS 737 C -0.0128 -0.0062 0.0089 578 LYS 737 O -0.0153 -0.0030 0.0083 579 LYS 737 CB -0.0037 -0.0111 0.0098 580 LYS 737 CG 0.0032 -0.0111 0.0098 581 LYS 737 CD 0.0053 -0.0159 0.0107 582 LYS 737 CE 0.0122 -0.0159 0.0106 583 LYS 737 NZ 0.0141 -0.0207 0.0115 584 LYS 737 HZ1 0.0186 -0.0207 0.0115 585 LYS 737 HZ2 0.0118 -0.0205 0.0115 586 LYS 737 HZ3 0.0126 -0.0247 0.0123 587 LYS 737 HA -0.0043 -0.0019 0.0081 588 LYS 737 HB1 -0.0051 -0.0154 0.0106 589 LYS 737 HB2 -0.0058 -0.0105 0.0097 590 LYS 737 HG1 0.0046 -0.0068 0.0090 591 LYS 737 HG2 0.0053 -0.0119 0.0099 592 LYS 737 HD1 0.0040 -0.0203 0.0115 593 LYS 737 HD2 0.0032 -0.0152 0.0105 594 LYS 737 HE1 0.0135 -0.0116 0.0099 595 LYS 737 HE2 0.0144 -0.0165 0.0108 596 VAL 738 N -0.0071 -0.0047 0.0049 597 VAL 738 HN -0.0059 -0.0049 0.0042 598 VAL 738 CA -0.0080 -0.0048 0.0049 599 VAL 738 C -0.0066 -0.0043 0.0056 600 VAL 738 O -0.0049 -0.0043 0.0051 601 VAL 738 CB -0.0086 -0.0059 0.0031 602 VAL 738 CG1 -0.0091 -0.0061 0.0030 603 VAL 738 CG2 -0.0104 -0.0064 0.0027 604 VAL 738 HA -0.0093 -0.0046 0.0058 605 VAL 738 HB -0.0074 -0.0062 0.0022 606 VAL 738 1HG1 -0.0095 -0.0068 0.0017 607 VAL 738 2HG1 -0.0103 -0.0057 0.0039 608 VAL 738 3HG1 -0.0079 -0.0057 0.0033 609 VAL 738 1HG2 -0.0108 -0.0071 0.0015 610 VAL 738 2HG2 -0.0100 -0.0063 0.0028 611 VAL 738 3HG2 -0.0115 -0.0060 0.0037 612 LYS 739 N -0.0073 -0.0038 0.0067 613 LYS 739 HN -0.0086 -0.0037 0.0073 614 LYS 739 CA -0.0061 -0.0033 0.0073 615 LYS 739 C -0.0073 -0.0034 0.0074 616 LYS 739 O -0.0090 -0.0035 0.0077 617 LYS 739 CB -0.0051 -0.0022 0.0090 618 LYS 739 CG -0.0041 -0.0020 0.0091 619 LYS 739 CD -0.0025 -0.0011 0.0104 620 LYS 739 CE -0.0021 -0.0006 0.0112 621 LYS 739 NZ -0.0001 -0.0001 0.0116 622 LYS 739 HZ1 0.0001 0.0002 0.0121 623 LYS 739 HZ2 0.0008 -0.0005 0.0106 624 LYS 739 HZ3 0.0003 0.0004 0.0124 625 LYS 739 HA -0.0050 -0.0037 0.0063 626 LYS 739 HB1 -0.0062 -0.0018 0.0100 627 LYS 739 HB2 -0.0041 -0.0021 0.0091 628 LYS 739 HG1 -0.0034 -0.0026 0.0079 629 LYS 739 HG2 -0.0051 -0.0019 0.0096 630 LYS 739 HD1 -0.0030 -0.0006 0.0114 631 LYS 739 HD2 -0.0012 -0.0013 0.0097 632 LYS 739 HE1 -0.0024 -0.0012 0.0103 633 LYS 739 HE2 -0.0031 -0.0001 0.0124 634 ILE 740 N -0.0008 -0.0038 0.0016 635 ILE 740 HN -0.0005 -0.0041 0.0018 636 ILE 740 CA -0.0001 -0.0033 0.0009 637 ILE 740 C 0.0012 -0.0038 0.0011 638 ILE 740 O 0.0017 -0.0037 0.0008 639 ILE 740 CB -0.0001 -0.0023 -0.0001 640 ILE 740 CG1 -0.0014 -0.0018 -0.0003 641 ILE 740 CG2 0.0007 -0.0020 -0.0008 642 ILE 740 CD1 -0.0018 -0.0011 -0.0009 643 ILE 740 HA -0.0002 -0.0033 0.0009 644 ILE 740 HB 0.0003 -0.0024 -0.0002 645 ILE 740 1HG1 -0.0020 -0.0022 0.0003 646 ILE 740 2HG1 -0.0014 -0.0014 -0.0007 647 ILE 740 1HG2 0.0007 -0.0013 -0.0015 648 ILE 740 2HG2 0.0005 -0.0020 -0.0007 649 ILE 740 3HG2 0.0016 -0.0023 -0.0007 650 ILE 740 1HD1 -0.0027 -0.0008 -0.0010 651 ILE 740 2HD1 -0.0018 -0.0015 -0.0005 652 ILE 740 3HD1 -0.0012 -0.0007 -0.0015 653 PRO 741 N 0.0017 -0.0045 0.0016 654 PRO 741 CA 0.0028 -0.0044 0.0012 655 PRO 741 C 0.0036 -0.0038 0.0003 656 PRO 741 O 0.0036 -0.0032 -0.0004 657 PRO 741 CB 0.0024 -0.0043 0.0012 658 PRO 741 CG 0.0014 -0.0048 0.0020 659 PRO 741 CD 0.0011 -0.0050 0.0023 660 PRO 741 HA 0.0034 -0.0051 0.0017 661 PRO 741 HB1 0.0021 -0.0036 0.0006 662 PRO 741 HB2 0.0031 -0.0046 0.0013 663 PRO 741 HG1 0.0006 -0.0044 0.0018 664 PRO 741 HG2 0.0016 -0.0054 0.0025 665 PRO 741 HD1 0.0001 -0.0048 0.0024 666 PRO 741 HD2 0.0014 -0.0057 0.0029 667 VAL 742 N 0.0038 -0.0021 -0.0011 668 VAL 742 HN 0.0038 -0.0020 -0.0011 669 VAL 742 CA 0.0040 -0.0016 -0.0012 670 VAL 742 C 0.0044 -0.0012 -0.0009 671 VAL 742 O 0.0045 -0.0012 -0.0007 672 VAL 742 CB 0.0038 -0.0014 -0.0019 673 VAL 742 CG1 0.0039 -0.0010 -0.0022 674 VAL 742 CG2 0.0038 -0.0012 -0.0021 675 VAL 742 HA 0.0040 -0.0017 -0.0011 676 VAL 742 HB 0.0035 -0.0018 -0.0021 677 VAL 742 1HG1 0.0038 -0.0009 -0.0026 678 VAL 742 2HG1 0.0042 -0.0007 -0.0020 679 VAL 742 3HG1 0.0038 -0.0012 -0.0020 680 VAL 742 1HG2 0.0037 -0.0011 -0.0026 681 VAL 742 2HG2 0.0037 -0.0015 -0.0020 682 VAL 742 3HG2 0.0041 -0.0008 -0.0019 683 ALA 743 N 0.0046 -0.0008 -0.0008 684 ALA 743 HN 0.0046 -0.0008 -0.0010 685 ALA 743 CA 0.0050 -0.0003 -0.0006 686 ALA 743 C 0.0051 0.0002 -0.0011 687 ALA 743 O 0.0050 0.0002 -0.0014 688 ALA 743 CB 0.0053 -0.0003 -0.0001 689 ALA 743 HA 0.0051 -0.0003 -0.0004 690 ALA 743 HB1 0.0056 0.0001 0.0001 691 ALA 743 HB2 0.0052 -0.0003 -0.0003 692 ALA 743 HB3 0.0052 -0.0007 0.0003 693 ILE 744 N 0.0011 -0.0013 -0.0031 694 ILE 744 HN 0.0010 -0.0007 -0.0030 695 ILE 744 CA 0.0016 -0.0014 -0.0034 696 ILE 744 C 0.0012 -0.0011 -0.0031 697 ILE 744 O 0.0010 -0.0004 -0.0030 698 ILE 744 CB 0.0024 -0.0009 -0.0037 699 ILE 744 CG1 0.0028 -0.0012 -0.0040 700 ILE 744 CG2 0.0028 -0.0010 -0.0040 701 ILE 744 CD1 0.0034 -0.0005 -0.0042 702 ILE 744 HA 0.0017 -0.0021 -0.0035 703 ILE 744 HB 0.0022 -0.0002 -0.0036 704 ILE 744 1HG1 0.0031 -0.0018 -0.0041 705 ILE 744 2HG1 0.0024 -0.0013 -0.0038 706 ILE 744 1HG2 0.0034 -0.0007 -0.0043 707 ILE 744 2HG2 0.0030 -0.0017 -0.0041 708 ILE 744 3HG2 0.0025 -0.0008 -0.0038 709 ILE 744 1HD1 0.0037 -0.0007 -0.0044 710 ILE 744 2HD1 0.0038 -0.0004 -0.0045 711 ILE 744 3HD1 0.0031 0.0001 -0.0041 712 LYS 745 N 0.0010 -0.0017 -0.0031 713 LYS 745 HN 0.0011 -0.0023 -0.0032 714 LYS 745 CA 0.0006 -0.0015 -0.0029 715 LYS 745 C 0.0012 -0.0015 -0.0031 716 LYS 745 O 0.0014 -0.0021 -0.0033 717 LYS 745 CB 0.0000 -0.0022 -0.0026 718 LYS 745 CG -0.0004 -0.0022 -0.0023 719 LYS 745 CD -0.0012 -0.0018 -0.0019 720 LYS 745 CE -0.0017 -0.0021 -0.0017 721 LYS 745 NZ -0.0025 -0.0018 -0.0012 722 LYS 745 HZ1 -0.0029 -0.0019 -0.0011 723 LYS 745 HZ2 -0.0027 -0.0020 -0.0011 724 LYS 745 HZ3 -0.0025 -0.0011 -0.0012 725 LYS 745 HA 0.0003 -0.0009 -0.0027 726 LYS 745 HB1 -0.0004 -0.0022 -0.0024 727 LYS 745 HB2 0.0003 -0.0028 -0.0028 728 LYS 745 HG1 -0.0005 -0.0028 -0.0024 729 LYS 745 HG2 -0.0001 -0.0018 -0.0025 730 LYS 745 HD1 -0.0012 -0.0011 -0.0019 731 LYS 745 HD2 -0.0015 -0.0020 -0.0018 732 LYS 745 HE1 -0.0018 -0.0028 -0.0017 733 LYS 745 HE2 -0.0015 -0.0018 -0.0018 734 GLU 746 N -0.0011 -0.0013 -0.0053 735 GLU 746 HN -0.0013 -0.0010 -0.0054 736 GLU 746 CA -0.0010 -0.0013 -0.0054 737 GLU 746 C -0.0015 -0.0013 -0.0052 738 GLU 746 O -0.0018 -0.0010 -0.0052 739 GLU 746 CB -0.0007 -0.0008 -0.0057 740 GLU 746 CG -0.0006 -0.0008 -0.0058 741 GLU 746 CD -0.0002 -0.0004 -0.0061 742 GLU 746 OE1 -0.0000 -0.0002 -0.0063 743 GLU 746 OE2 -0.0002 -0.0002 -0.0062 744 GLU 746 HA -0.0007 -0.0016 -0.0053 745 GLU 746 HB1 -0.0004 -0.0009 -0.0058 746 GLU 746 HB2 -0.0010 -0.0005 -0.0057 747 GLU 746 HG1 -0.0009 -0.0007 -0.0057 748 GLU 746 HG2 -0.0003 -0.0011 -0.0057 749 LEU 747 N -0.0015 -0.0017 -0.0050 750 LEU 747 HN -0.0012 -0.0020 -0.0050 751 LEU 747 CA -0.0019 -0.0018 -0.0048 752 LEU 747 C -0.0018 -0.0015 -0.0050 753 LEU 747 O -0.0015 -0.0017 -0.0050 754 LEU 747 CB -0.0020 -0.0023 -0.0045 755 LEU 747 CG -0.0020 -0.0026 -0.0044 756 LEU 747 CD1 -0.0020 -0.0032 -0.0041 757 LEU 747 CD2 -0.0025 -0.0024 -0.0043 758 LEU 747 HA -0.0023 -0.0016 -0.0047 759 LEU 747 HB1 -0.0016 -0.0025 -0.0046 760 LEU 747 HB2 -0.0023 -0.0023 -0.0044 761 LEU 747 HG -0.0017 -0.0026 -0.0045 762 LEU 747 1HD1 -0.0021 -0.0034 -0.0040 763 LEU 747 2HD1 -0.0023 -0.0032 -0.0040 764 LEU 747 3HD1 -0.0016 -0.0033 -0.0042 765 LEU 747 1HD2 -0.0026 -0.0026 -0.0042 766 LEU 747 2HD2 -0.0025 -0.0020 -0.0044 767 LEU 747 3HD2 -0.0028 -0.0024 -0.0041 768 ARG 748 N -0.0025 -0.0021 -0.0047 769 ARG 748 HN -0.0024 -0.0022 -0.0045 770 ARG 748 CA -0.0029 -0.0017 -0.0049 771 ARG 748 C -0.0031 -0.0013 -0.0045 772 ARG 748 O -0.0034 -0.0009 -0.0047 773 ARG 748 CB -0.0030 -0.0018 -0.0054 774 ARG 748 CG -0.0029 -0.0022 -0.0059 775 ARG 748 CD -0.0030 -0.0022 -0.0065 776 ARG 748 NE -0.0034 -0.0018 -0.0067 777 ARG 748 HE -0.0036 -0.0015 -0.0066 778 ARG 748 CZ -0.0036 -0.0017 -0.0070 779 ARG 748 NH1 -0.0034 -0.0020 -0.0071 780 ARG 748 1HH1 -0.0035 -0.0019 -0.0073 781 ARG 748 2HH1 -0.0031 -0.0023 -0.0070 782 ARG 748 NH2 -0.0040 -0.0012 -0.0071 783 ARG 748 1HH2 -0.0041 -0.0012 -0.0073 784 ARG 748 2HH2 -0.0041 -0.0010 -0.0070 785 ARG 748 HA -0.0031 -0.0015 -0.0051 786 ARG 748 HB1 -0.0029 -0.0019 -0.0053 787 ARG 748 HB2 -0.0033 -0.0015 -0.0056 788 ARG 748 HG1 -0.0030 -0.0021 -0.0060 789 ARG 748 HG2 -0.0026 -0.0025 -0.0058 790 ARG 748 HD1 -0.0029 -0.0025 -0.0068 791 ARG 748 HD2 -0.0030 -0.0023 -0.0064 792 GLU 749 N -0.0029 -0.0012 -0.0040 793 GLU 749 HN -0.0027 -0.0015 -0.0038 794 GLU 749 CA -0.0030 -0.0009 -0.0035 795 GLU 749 C -0.0034 -0.0004 -0.0035 796 GLU 749 O -0.0035 -0.0004 -0.0038 797 GLU 749 CB -0.0027 -0.0010 -0.0029 798 GLU 749 CG -0.0028 -0.0006 -0.0024 799 GLU 749 CD -0.0025 -0.0008 -0.0018 800 GLU 749 OE1 -0.0023 -0.0011 -0.0017 801 GLU 749 OE2 -0.0026 -0.0005 -0.0015 802 GLU 749 HA -0.0031 -0.0008 -0.0036 803 GLU 749 HB1 -0.0025 -0.0013 -0.0030 804 GLU 749 HB2 -0.0027 -0.0010 -0.0028 805 GLU 749 HG1 -0.0031 -0.0003 -0.0024 806 GLU 749 HG2 -0.0029 -0.0006 -0.0025 807 ALA 750 N -0.0033 -0.0003 -0.0055 808 ALA 750 HN -0.0027 -0.0005 -0.0045 809 ALA 750 CA -0.0038 0.0017 -0.0056 810 ALA 750 C -0.0038 0.0022 -0.0056 811 ALA 750 O -0.0045 0.0035 -0.0063 812 ALA 750 CB -0.0031 0.0030 -0.0043 813 ALA 750 HA -0.0046 0.0021 -0.0068 814 ALA 750 HB1 -0.0035 0.0045 -0.0044 815 ALA 750 HB2 -0.0023 0.0026 -0.0031 816 ALA 750 HB3 -0.0032 0.0027 -0.0044 817 THR 751 N -0.0031 0.0011 -0.0047 818 THR 751 HN -0.0026 -0.0000 -0.0042 819 THR 751 CA -0.0030 0.0014 -0.0045 820 THR 751 C -0.0035 -0.0000 -0.0056 821 THR 751 O -0.0033 -0.0003 -0.0054 822 THR 751 CB -0.0018 0.0011 -0.0027 823 THR 751 CG2 -0.0013 0.0026 -0.0015 824 THR 751 OG1 -0.0012 -0.0006 -0.0023 825 THR 751 HG1 -0.0005 -0.0008 -0.0012 826 THR 751 HA -0.0034 0.0028 -0.0047 827 THR 751 HB -0.0017 0.0010 -0.0026 828 THR 751 1HG2 -0.0004 0.0024 -0.0003 829 THR 751 2HG2 -0.0013 0.0026 -0.0016 830 THR 751 3HG2 -0.0017 0.0040 -0.0018 831 SER 752 N -0.0049 -0.0020 -0.0054 832 SER 752 HN -0.0051 -0.0018 -0.0056 833 SER 752 CA -0.0046 -0.0021 -0.0056 834 SER 752 C -0.0045 -0.0022 -0.0054 835 SER 752 O -0.0047 -0.0021 -0.0054 836 SER 752 CB -0.0046 -0.0020 -0.0060 837 SER 752 OG -0.0046 -0.0019 -0.0062 838 SER 752 HG -0.0046 -0.0019 -0.0064 839 SER 752 HA -0.0045 -0.0022 -0.0055 840 SER 752 HB1 -0.0048 -0.0019 -0.0060 841 SER 752 HB2 -0.0044 -0.0021 -0.0060 842 PRO 753 N -0.0043 -0.0024 -0.0053 843 PRO 753 CA -0.0042 -0.0025 -0.0051 844 PRO 753 C -0.0040 -0.0026 -0.0054 845 PRO 753 O -0.0040 -0.0025 -0.0057 846 PRO 753 CB -0.0041 -0.0027 -0.0048 847 PRO 753 CG -0.0039 -0.0028 -0.0050 848 PRO 753 CD -0.0041 -0.0026 -0.0052 849 PRO 753 HA -0.0045 -0.0024 -0.0050 850 PRO 753 HB1 -0.0039 -0.0028 -0.0047 851 PRO 753 HB2 -0.0042 -0.0027 -0.0046 852 PRO 753 HG1 -0.0037 -0.0029 -0.0051 853 PRO 753 HG2 -0.0039 -0.0028 -0.0048 854 PRO 753 HD1 -0.0039 -0.0026 -0.0055 855 PRO 753 HD2 -0.0042 -0.0025 -0.0052 856 LYS 754 N -0.0033 -0.0056 -0.0051 857 LYS 754 HN -0.0032 -0.0055 -0.0046 858 LYS 754 CA -0.0034 -0.0056 -0.0042 859 LYS 754 C -0.0024 -0.0046 -0.0031 860 LYS 754 O -0.0020 -0.0042 -0.0028 861 LYS 754 CB -0.0046 -0.0064 -0.0032 862 LYS 754 CG -0.0057 -0.0074 -0.0042 863 LYS 754 CD -0.0069 -0.0083 -0.0033 864 LYS 754 CE -0.0080 -0.0093 -0.0043 865 LYS 754 NZ -0.0092 -0.0101 -0.0034 866 LYS 754 HZ1 -0.0098 -0.0107 -0.0040 867 LYS 754 HZ2 -0.0092 -0.0100 -0.0025 868 LYS 754 HZ3 -0.0093 -0.0100 -0.0027 869 LYS 754 HA -0.0034 -0.0057 -0.0049 870 LYS 754 HB1 -0.0047 -0.0063 -0.0026 871 LYS 754 HB2 -0.0047 -0.0063 -0.0023 872 LYS 754 HG1 -0.0056 -0.0074 -0.0048 873 LYS 754 HG2 -0.0056 -0.0075 -0.0050 874 LYS 754 HD1 -0.0070 -0.0082 -0.0027 875 LYS 754 HD2 -0.0070 -0.0082 -0.0024 876 LYS 754 HE1 -0.0079 -0.0093 -0.0049 877 LYS 754 HE2 -0.0079 -0.0094 -0.0051 878 ALA 755 N -0.0020 -0.0042 -0.0026 879 ALA 755 HN -0.0024 -0.0046 -0.0031 880 ALA 755 CA -0.0012 -0.0034 -0.0015 881 ALA 755 C -0.0015 -0.0033 0.0000 882 ALA 755 O -0.0021 -0.0037 0.0011 883 ALA 755 CB -0.0012 -0.0033 -0.0011 884 ALA 755 HA -0.0003 -0.0027 -0.0020 885 ALA 755 HB1 -0.0006 -0.0027 -0.0002 886 ALA 755 HB2 -0.0021 -0.0040 -0.0006 887 ALA 755 HB3 -0.0009 -0.0033 -0.0021 888 ASN 756 N -0.0045 -0.0081 -0.0036 889 ASN 756 HN -0.0042 -0.0094 -0.0023 890 ASN 756 CA -0.0040 -0.0059 -0.0046 891 ASN 756 C -0.0046 -0.0068 -0.0047 892 ASN 756 O -0.0048 -0.0088 -0.0035 893 ASN 756 CB -0.0020 -0.0040 -0.0030 894 ASN 756 CG -0.0011 -0.0027 -0.0027 895 ASN 756 ND2 0.0007 -0.0011 -0.0014 896 ASN 756 1HD2 0.0014 -0.0009 -0.0005 897 ASN 756 2HD2 0.0013 -0.0002 -0.0012 898 ASN 756 OD1 -0.0019 -0.0029 -0.0037 899 ASN 756 HA -0.0047 -0.0049 -0.0062 900 ASN 756 HB1 -0.0013 -0.0051 -0.0013 901 ASN 756 HB2 -0.0018 -0.0026 -0.0037 902 LYS 757 N -0.0048 -0.0052 -0.0060 903 LYS 757 HN -0.0047 -0.0036 -0.0071 904 LYS 757 CA -0.0050 -0.0057 -0.0060 905 LYS 757 C -0.0034 -0.0059 -0.0037 906 LYS 757 O -0.0037 -0.0077 -0.0029 907 LYS 757 CB -0.0052 -0.0035 -0.0078 908 LYS 757 CG -0.0070 -0.0036 -0.0103 909 LYS 757 CD -0.0072 -0.0015 -0.0121 910 LYS 757 CE -0.0090 -0.0015 -0.0145 911 LYS 757 NZ -0.0091 0.0006 -0.0162 912 LYS 757 HZ1 -0.0103 0.0006 -0.0178 913 LYS 757 HZ2 -0.0089 0.0006 -0.0159 914 LYS 757 HZ3 -0.0080 0.0023 -0.0158 915 LYS 757 HA -0.0062 -0.0074 -0.0065 916 LYS 757 HB1 -0.0041 -0.0018 -0.0076 917 LYS 757 HB2 -0.0052 -0.0038 -0.0076 918 LYS 757 HG1 -0.0081 -0.0054 -0.0105 919 LYS 757 HG2 -0.0070 -0.0033 -0.0105 920 LYS 757 HD1 -0.0061 0.0003 -0.0118 921 LYS 757 HD2 -0.0072 -0.0017 -0.0119 922 LYS 757 HE1 -0.0101 -0.0032 -0.0148 923 LYS 757 HE2 -0.0091 -0.0013 -0.0147 924 GLU 758 N -0.0026 -0.0057 -0.0031 925 GLU 758 HN -0.0025 -0.0060 -0.0029 926 GLU 758 CA -0.0033 -0.0056 -0.0035 927 GLU 758 C -0.0034 -0.0049 -0.0037 928 GLU 758 O -0.0037 -0.0047 -0.0040 929 GLU 758 CB -0.0036 -0.0060 -0.0036 930 GLU 758 CG -0.0036 -0.0068 -0.0035 931 GLU 758 CD -0.0040 -0.0071 -0.0038 932 GLU 758 OE1 -0.0043 -0.0068 -0.0040 933 GLU 758 OE2 -0.0041 -0.0078 -0.0037 934 GLU 758 HA -0.0034 -0.0058 -0.0036 935 GLU 758 HB1 -0.0033 -0.0059 -0.0035 936 GLU 758 HB2 -0.0040 -0.0058 -0.0039 937 GLU 758 HG1 -0.0037 -0.0069 -0.0036 938 GLU 758 HG2 -0.0032 -0.0070 -0.0032 939 ILE 759 N -0.0031 -0.0044 -0.0036 940 ILE 759 HN -0.0028 -0.0046 -0.0034 941 ILE 759 CA -0.0032 -0.0037 -0.0038 942 ILE 759 C -0.0030 -0.0033 -0.0037 943 ILE 759 O -0.0033 -0.0029 -0.0039 944 ILE 759 CB -0.0030 -0.0034 -0.0036 945 ILE 759 CG1 -0.0033 -0.0037 -0.0038 946 ILE 759 CG2 -0.0030 -0.0026 -0.0038 947 ILE 759 CD1 -0.0039 -0.0039 -0.0042 948 ILE 759 HA -0.0037 -0.0037 -0.0041 949 ILE 759 HB -0.0025 -0.0035 -0.0033 950 ILE 759 1HG1 -0.0031 -0.0042 -0.0036 951 ILE 759 2HG1 -0.0032 -0.0034 -0.0038 952 ILE 759 1HG2 -0.0028 -0.0024 -0.0037 953 ILE 759 2HG2 -0.0035 -0.0025 -0.0041 954 ILE 759 3HG2 -0.0028 -0.0024 -0.0037 955 ILE 759 1HD1 -0.0041 -0.0041 -0.0043 956 ILE 759 2HD1 -0.0041 -0.0042 -0.0042 957 ILE 759 3HD1 -0.0041 -0.0034 -0.0044 958 LEU 760 N -0.0025 -0.0031 -0.0027 959 LEU 760 HN -0.0026 -0.0035 -0.0023 960 LEU 760 CA -0.0019 -0.0024 -0.0025 961 LEU 760 C -0.0020 -0.0023 -0.0027 962 LEU 760 O -0.0017 -0.0017 -0.0031 963 LEU 760 CB -0.0015 -0.0025 -0.0016 964 LEU 760 CG -0.0012 -0.0024 -0.0014 965 LEU 760 CD1 -0.0009 -0.0026 -0.0005 966 LEU 760 CD2 -0.0009 -0.0016 -0.0018 967 LEU 760 HA -0.0018 -0.0019 -0.0029 968 LEU 760 HB1 -0.0017 -0.0031 -0.0013 969 LEU 760 HB2 -0.0010 -0.0021 -0.0015 970 LEU 760 HG -0.0017 -0.0028 -0.0016 971 LEU 760 1HD1 -0.0007 -0.0025 -0.0003 972 LEU 760 2HD1 -0.0005 -0.0023 -0.0003 973 LEU 760 3HD1 -0.0011 -0.0032 -0.0002 974 LEU 760 1HD2 -0.0008 -0.0015 -0.0017 975 LEU 760 2HD2 -0.0012 -0.0015 -0.0025 976 LEU 760 3HD2 -0.0005 -0.0012 -0.0016 977 ASP 761 N -0.0023 -0.0030 -0.0025 978 ASP 761 HN -0.0025 -0.0035 -0.0022 979 ASP 761 CA -0.0024 -0.0030 -0.0027 980 ASP 761 C -0.0026 -0.0026 -0.0036 981 ASP 761 O -0.0024 -0.0021 -0.0038 982 ASP 761 CB -0.0028 -0.0038 -0.0023 983 ASP 761 CG -0.0025 -0.0039 -0.0017 984 ASP 761 OD1 -0.0020 -0.0037 -0.0011 985 ASP 761 OD2 -0.0027 -0.0041 -0.0018 986 ASP 761 HA -0.0019 -0.0026 -0.0023 987 ASP 761 HB1 -0.0029 -0.0042 -0.0021 988 ASP 761 HB2 -0.0032 -0.0040 -0.0028 989 GLU 762 N -0.0029 -0.0018 -0.0032 990 GLU 762 HN -0.0032 -0.0023 -0.0030 991 GLU 762 CA -0.0034 -0.0014 -0.0043 992 GLU 762 C -0.0028 -0.0003 -0.0048 993 GLU 762 O -0.0027 0.0003 -0.0054 994 GLU 762 CB -0.0044 -0.0018 -0.0049 995 GLU 762 CG -0.0052 -0.0028 -0.0045 996 GLU 762 CD -0.0056 -0.0029 -0.0048 997 GLU 762 OE1 -0.0056 -0.0022 -0.0056 998 GLU 762 OE2 -0.0059 -0.0036 -0.0042 999 GLU 762 HA -0.0036 -0.0015 -0.0043 1000 GLU 762 HB1 -0.0042 -0.0017 -0.0047 1001 GLU 762 HB2 -0.0047 -0.0013 -0.0057 1002 GLU 762 HG1 -0.0049 -0.0032 -0.0037 1003 GLU 762 HG2 -0.0058 -0.0030 -0.0049 1004 ALA 763 N -0.0022 0.0001 -0.0047 1005 ALA 763 HN -0.0023 -0.0004 -0.0042 1006 ALA 763 CA -0.0015 0.0011 -0.0051 1007 ALA 763 C -0.0007 0.0016 -0.0048 1008 ALA 763 O -0.0004 0.0023 -0.0054 1009 ALA 763 CB -0.0010 0.0013 -0.0048 1010 ALA 763 HA -0.0019 0.0014 -0.0059 1011 ALA 763 HB1 -0.0005 0.0020 -0.0051 1012 ALA 763 HB2 -0.0007 0.0009 -0.0040 1013 ALA 763 HB3 -0.0016 0.0010 -0.0051 1014 TYR 764 N 0.0002 0.0025 -0.0025 1015 TYR 764 HN -0.0001 0.0015 -0.0017 1016 TYR 764 CA 0.0013 0.0031 -0.0019 1017 TYR 764 C 0.0008 0.0032 -0.0027 1018 TYR 764 O 0.0016 0.0042 -0.0030 1019 TYR 764 CB 0.0018 0.0022 -0.0001 1020 TYR 764 CG 0.0029 0.0027 0.0008 1021 TYR 764 CD1 0.0042 0.0040 0.0009 1022 TYR 764 CD2 0.0027 0.0019 0.0017 1023 TYR 764 CE1 0.0053 0.0045 0.0018 1024 TYR 764 CE2 0.0037 0.0023 0.0025 1025 TYR 764 CZ 0.0050 0.0036 0.0025 1026 TYR 764 OH 0.0061 0.0041 0.0034 1027 TYR 764 HH 0.0059 0.0036 0.0039 1028 TYR 764 HA 0.0021 0.0041 -0.0021 1029 TYR 764 HB1 0.0009 0.0011 0.0002 1030 TYR 764 HB2 0.0022 0.0024 0.0002 1031 TYR 764 HD1 0.0044 0.0047 0.0002 1032 TYR 764 HD2 0.0017 0.0008 0.0018 1033 TYR 764 HE1 0.0063 0.0055 0.0019 1034 TYR 764 HE2 0.0035 0.0017 0.0031 1035 VAL 765 N -0.0005 0.0022 -0.0032 1036 VAL 765 HN -0.0012 0.0013 -0.0029 1037 VAL 765 CA -0.0012 0.0023 -0.0042 1038 VAL 765 C -0.0012 0.0036 -0.0059 1039 VAL 765 O -0.0007 0.0044 -0.0064 1040 VAL 765 CB -0.0026 0.0010 -0.0044 1041 VAL 765 CG1 -0.0033 0.0012 -0.0056 1042 VAL 765 CG2 -0.0025 -0.0001 -0.0028 1043 VAL 765 HA -0.0005 0.0026 -0.0037 1044 VAL 765 HB -0.0032 0.0006 -0.0049 1045 VAL 765 1HG1 -0.0043 0.0002 -0.0057 1046 VAL 765 2HG1 -0.0026 0.0015 -0.0051 1047 VAL 765 3HG1 -0.0033 0.0020 -0.0067 1048 VAL 765 1HG2 -0.0035 -0.0011 -0.0029 1049 VAL 765 2HG2 -0.0021 -0.0003 -0.0020 1050 VAL 765 3HG2 -0.0018 0.0002 -0.0023 1051 MET 766 N -0.0006 0.0030 -0.0047 1052 MET 766 HN -0.0008 0.0025 -0.0044 1053 MET 766 CA -0.0006 0.0037 -0.0056 1054 MET 766 C 0.0003 0.0046 -0.0056 1055 MET 766 O 0.0004 0.0052 -0.0062 1056 MET 766 CB -0.0011 0.0036 -0.0061 1057 MET 766 CG -0.0021 0.0032 -0.0067 1058 MET 766 SD -0.0028 0.0026 -0.0069 1059 MET 766 CE -0.0022 0.0034 -0.0072 1060 MET 766 HA -0.0010 0.0038 -0.0061 1061 MET 766 HB1 -0.0011 0.0032 -0.0055 1062 MET 766 HB2 -0.0008 0.0042 -0.0065 1063 MET 766 HG1 -0.0021 0.0037 -0.0074 1064 MET 766 HG2 -0.0023 0.0028 -0.0065 1065 MET 766 HE1 -0.0026 0.0031 -0.0073 1066 MET 766 HE2 -0.0022 0.0040 -0.0078 1067 MET 766 HE3 -0.0016 0.0035 -0.0066 1068 ALA 767 N 0.0010 0.0046 -0.0048 1069 ALA 767 HN 0.0008 0.0041 -0.0043 1070 ALA 767 CA 0.0019 0.0054 -0.0047 1071 ALA 767 C 0.0023 0.0056 -0.0045 1072 ALA 767 O 0.0029 0.0063 -0.0046 1073 ALA 767 CB 0.0024 0.0052 -0.0038 1074 ALA 767 HA 0.0019 0.0059 -0.0053 1075 ALA 767 HB1 0.0031 0.0058 -0.0037 1076 ALA 767 HB2 0.0024 0.0046 -0.0032 1077 ALA 767 HB3 0.0022 0.0051 -0.0040 1078 SER 768 N -0.0001 0.0039 -0.0061 1079 SER 768 HN -0.0004 0.0044 -0.0060 1080 SER 768 CA 0.0001 0.0033 -0.0055 1081 SER 768 C 0.0001 0.0031 -0.0048 1082 SER 768 O 0.0003 0.0025 -0.0044 1083 SER 768 CB -0.0000 0.0034 -0.0052 1084 SER 768 OG -0.0003 0.0038 -0.0045 1085 SER 768 HG -0.0003 0.0039 -0.0043 1086 SER 768 HA 0.0003 0.0028 -0.0059 1087 SER 768 HB1 0.0002 0.0029 -0.0051 1088 SER 768 HB2 -0.0001 0.0037 -0.0057 1089 VAL 769 N -0.0001 0.0036 -0.0047 1090 VAL 769 HN -0.0003 0.0041 -0.0050 1091 VAL 769 CA -0.0001 0.0034 -0.0041 1092 VAL 769 C 0.0002 0.0028 -0.0043 1093 VAL 769 O 0.0002 0.0029 -0.0050 1094 VAL 769 CB -0.0005 0.0041 -0.0039 1095 VAL 769 CG1 -0.0004 0.0040 -0.0032 1096 VAL 769 CG2 -0.0008 0.0047 -0.0036 1097 VAL 769 HA -0.0001 0.0032 -0.0035 1098 VAL 769 HB -0.0005 0.0044 -0.0044 1099 VAL 769 1HG1 -0.0007 0.0045 -0.0031 1100 VAL 769 2HG1 -0.0004 0.0038 -0.0027 1101 VAL 769 3HG1 -0.0002 0.0036 -0.0035 1102 VAL 769 1HG2 -0.0010 0.0052 -0.0034 1103 VAL 769 2HG2 -0.0008 0.0049 -0.0040 1104 VAL 769 3HG2 -0.0007 0.0045 -0.0030 1105 ASP 770 N -0.0000 0.0003 -0.0033 1106 ASP 770 HN -0.0002 0.0001 -0.0029 1107 ASP 770 CA -0.0003 -0.0007 -0.0033 1108 ASP 770 C -0.0008 -0.0013 -0.0019 1109 ASP 770 O -0.0011 -0.0019 -0.0015 1110 ASP 770 CB -0.0002 -0.0018 -0.0044 1111 ASP 770 CG -0.0004 -0.0028 -0.0046 1112 ASP 770 OD1 -0.0003 -0.0023 -0.0044 1113 ASP 770 OD2 -0.0006 -0.0040 -0.0049 1114 ASP 770 HA -0.0001 -0.0003 -0.0034 1115 ASP 770 HB1 0.0002 -0.0013 -0.0053 1116 ASP 770 HB2 -0.0003 -0.0023 -0.0043 1117 ASN 771 N -0.0010 -0.0010 -0.0011 1118 ASN 771 HN -0.0008 -0.0004 -0.0014 1119 ASN 771 CA -0.0015 -0.0015 0.0002 1120 ASN 771 C -0.0017 -0.0016 0.0005 1121 ASN 771 O -0.0013 -0.0009 -0.0000 1122 ASN 771 CB -0.0016 -0.0005 0.0013 1123 ASN 771 CG -0.0022 -0.0011 0.0025 1124 ASN 771 ND2 -0.0023 -0.0017 0.0026 1125 ASN 771 1HD2 -0.0021 -0.0018 0.0018 1126 ASN 771 2HD2 -0.0027 -0.0021 0.0034 1127 ASN 771 OD1 -0.0025 -0.0010 0.0035 1128 ASN 771 HA -0.0018 -0.0025 0.0002 1129 ASN 771 HB1 -0.0014 -0.0001 0.0008 1130 ASN 771 HB2 -0.0015 0.0003 0.0015 1131 PRO 772 N -0.0036 -0.0039 0.0024 1132 PRO 772 CA -0.0038 -0.0040 0.0033 1133 PRO 772 C -0.0032 -0.0035 0.0040 1134 PRO 772 O -0.0032 -0.0035 0.0046 1135 PRO 772 CB -0.0044 -0.0044 0.0037 1136 PRO 772 CG -0.0047 -0.0046 0.0029 1137 PRO 772 CD -0.0042 -0.0043 0.0020 1138 PRO 772 HA -0.0041 -0.0042 0.0033 1139 PRO 772 HB1 -0.0041 -0.0042 0.0042 1140 PRO 772 HB2 -0.0048 -0.0047 0.0041 1141 PRO 772 HG1 -0.0047 -0.0046 0.0030 1142 PRO 772 HG2 -0.0053 -0.0051 0.0028 1143 PRO 772 HD1 -0.0039 -0.0041 0.0017 1144 PRO 772 HD2 -0.0045 -0.0046 0.0015 1145 HIS 773 N -0.0027 -0.0031 0.0040 1146 HIS 773 HN -0.0027 -0.0031 0.0035 1147 HIS 773 CA -0.0021 -0.0027 0.0048 1148 HIS 773 C -0.0013 -0.0021 0.0044 1149 HIS 773 O -0.0008 -0.0017 0.0048 1150 HIS 773 CB -0.0022 -0.0027 0.0053 1151 HIS 773 CG -0.0030 -0.0033 0.0056 1152 HIS 773 CD2 -0.0035 -0.0037 0.0054 1153 HIS 773 ND1 -0.0033 -0.0035 0.0061 1154 HIS 773 HD1 -0.0031 -0.0033 0.0064 1155 HIS 773 CE1 -0.0040 -0.0040 0.0063 1156 HIS 773 NE2 -0.0042 -0.0041 0.0058 1157 HIS 773 HE2 -0.0046 -0.0045 0.0058 1158 HIS 773 HA -0.0022 -0.0027 0.0053 1159 HIS 773 HB1 -0.0020 -0.0026 0.0048 1160 HIS 773 HB2 -0.0019 -0.0024 0.0059 1161 HIS 773 HD2 -0.0034 -0.0036 0.0050 1162 HIS 773 HE1 -0.0045 -0.0043 0.0067 1163 VAL 774 N -0.0012 -0.0004 0.0025 1164 VAL 774 HN -0.0016 -0.0011 0.0020 1165 VAL 774 CA -0.0003 0.0005 0.0019 1166 VAL 774 C -0.0001 0.0005 0.0015 1167 VAL 774 O -0.0007 -0.0002 0.0012 1168 VAL 774 CB 0.0000 0.0005 0.0008 1169 VAL 774 CG1 -0.0002 0.0003 0.0012 1170 VAL 774 CG2 -0.0003 -0.0003 -0.0004 1171 VAL 774 HA 0.0001 0.0012 0.0026 1172 VAL 774 HB 0.0007 0.0013 0.0005 1173 VAL 774 1HG1 -0.0000 0.0003 0.0004 1174 VAL 774 2HG1 -0.0009 -0.0004 0.0015 1175 VAL 774 3HG1 0.0001 0.0010 0.0019 1176 VAL 774 1HG2 -0.0001 -0.0003 -0.0012 1177 VAL 774 2HG2 -0.0001 -0.0001 -0.0006 1178 VAL 774 3HG2 -0.0010 -0.0010 -0.0001 1179 CYS 775 N 0.0006 0.0015 0.0016 1180 CYS 775 HN 0.0009 0.0021 0.0020 1181 CYS 775 CA 0.0008 0.0016 0.0009 1182 CYS 775 C 0.0011 0.0015 -0.0005 1183 CYS 775 O 0.0016 0.0020 -0.0009 1184 CYS 775 CB 0.0015 0.0026 0.0015 1185 CYS 775 SG 0.0017 0.0027 0.0009 1186 CYS 775 HA 0.0003 0.0010 0.0011 1187 CYS 775 HB1 0.0013 0.0027 0.0025 1188 CYS 775 HB2 0.0021 0.0032 0.0012 1189 CYS 775 HG 0.0020 0.0026 -0.0003 1190 ARG 776 N 0.0043 0.0051 -0.0080 1191 ARG 776 HN 0.0046 0.0051 -0.0083 1192 ARG 776 CA 0.0042 0.0051 -0.0075 1193 ARG 776 C 0.0037 0.0050 -0.0076 1194 ARG 776 O 0.0038 0.0049 -0.0080 1195 ARG 776 CB 0.0047 0.0053 -0.0073 1196 ARG 776 CG 0.0047 0.0053 -0.0066 1197 ARG 776 CD 0.0052 0.0055 -0.0064 1198 ARG 776 NE 0.0052 0.0055 -0.0058 1199 ARG 776 HE 0.0049 0.0054 -0.0056 1200 ARG 776 CZ 0.0055 0.0056 -0.0055 1201 ARG 776 NH1 0.0059 0.0057 -0.0057 1202 ARG 776 1HH1 0.0062 0.0058 -0.0055 1203 ARG 776 2HH1 0.0060 0.0057 -0.0062 1204 ARG 776 NH2 0.0055 0.0057 -0.0049 1205 ARG 776 1HH2 0.0057 0.0058 -0.0047 1206 ARG 776 2HH2 0.0051 0.0056 -0.0047 1207 ARG 776 HA 0.0040 0.0051 -0.0071 1208 ARG 776 HB1 0.0051 0.0053 -0.0074 1209 ARG 776 HB2 0.0047 0.0052 -0.0074 1210 ARG 776 HG1 0.0044 0.0052 -0.0064 1211 ARG 776 HG2 0.0048 0.0053 -0.0064 1212 ARG 776 HD1 0.0056 0.0056 -0.0065 1213 ARG 776 HD2 0.0053 0.0055 -0.0066 1214 LEU 777 N 0.0033 0.0049 -0.0072 1215 LEU 777 HN 0.0033 0.0049 -0.0068 1216 LEU 777 CA 0.0029 0.0048 -0.0072 1217 LEU 777 C 0.0032 0.0049 -0.0070 1218 LEU 777 O 0.0034 0.0050 -0.0065 1219 LEU 777 CB 0.0025 0.0047 -0.0068 1220 LEU 777 CG 0.0020 0.0046 -0.0068 1221 LEU 777 CD1 0.0017 0.0044 -0.0073 1222 LEU 777 CD2 0.0016 0.0045 -0.0062 1223 LEU 777 HA 0.0028 0.0047 -0.0076 1224 LEU 777 HB1 0.0023 0.0046 -0.0069 1225 LEU 777 HB2 0.0026 0.0048 -0.0063 1226 LEU 777 HG 0.0022 0.0046 -0.0067 1227 LEU 777 1HD1 0.0013 0.0043 -0.0073 1228 LEU 777 2HD1 0.0015 0.0044 -0.0074 1229 LEU 777 3HD1 0.0020 0.0045 -0.0077 1230 LEU 777 1HD2 0.0012 0.0044 -0.0062 1231 LEU 777 2HD2 0.0018 0.0046 -0.0058 1232 LEU 777 3HD2 0.0014 0.0045 -0.0063 1233 LEU 778 N 0.0056 0.0065 -0.0076 1234 LEU 778 HN 0.0060 0.0058 -0.0075 1235 LEU 778 CA 0.0046 0.0067 -0.0072 1236 LEU 778 C 0.0040 0.0068 -0.0070 1237 LEU 778 O 0.0033 0.0074 -0.0069 1238 LEU 778 CB 0.0043 0.0059 -0.0068 1239 LEU 778 CG 0.0048 0.0057 -0.0069 1240 LEU 778 CD1 0.0043 0.0049 -0.0064 1241 LEU 778 CD2 0.0047 0.0066 -0.0073 1242 LEU 778 HA 0.0045 0.0074 -0.0075 1243 LEU 778 HB1 0.0045 0.0052 -0.0066 1244 LEU 778 HB2 0.0036 0.0061 -0.0065 1245 LEU 778 HG 0.0055 0.0054 -0.0072 1246 LEU 778 1HD1 0.0047 0.0048 -0.0065 1247 LEU 778 2HD1 0.0036 0.0052 -0.0061 1248 LEU 778 3HD1 0.0044 0.0043 -0.0062 1249 LEU 778 1HD2 0.0051 0.0064 -0.0074 1250 LEU 778 2HD2 0.0051 0.0072 -0.0076 1251 LEU 778 3HD2 0.0040 0.0069 -0.0070 1252 GLY 779 N 0.0042 0.0061 -0.0068 1253 GLY 779 HN 0.0048 0.0056 -0.0069 1254 GLY 779 CA 0.0037 0.0062 -0.0066 1255 GLY 779 C 0.0042 0.0056 -0.0066 1256 GLY 779 O 0.0050 0.0051 -0.0068 1257 GLY 779 HA1 0.0036 0.0069 -0.0068 1258 GLY 779 HA2 0.0030 0.0060 -0.0062 1259 ILE 780 N 0.0023 0.0041 -0.0050 1260 ILE 780 HN 0.0025 0.0045 -0.0041 1261 ILE 780 CA 0.0018 0.0029 -0.0050 1262 ILE 780 C 0.0017 0.0026 -0.0040 1263 ILE 780 O 0.0020 0.0031 -0.0030 1264 ILE 780 CB 0.0015 0.0022 -0.0048 1265 ILE 780 CG1 0.0009 0.0009 -0.0050 1266 ILE 780 CG2 0.0017 0.0024 -0.0036 1267 ILE 780 CD1 0.0007 0.0003 -0.0052 1268 ILE 780 HA 0.0016 0.0028 -0.0059 1269 ILE 780 HB 0.0016 0.0025 -0.0055 1270 ILE 780 1HG1 0.0009 0.0006 -0.0042 1271 ILE 780 2HG1 0.0008 0.0008 -0.0059 1272 ILE 780 1HG2 0.0015 0.0019 -0.0035 1273 ILE 780 2HG2 0.0017 0.0022 -0.0028 1274 ILE 780 3HG2 0.0021 0.0033 -0.0035 1275 ILE 780 1HD1 0.0003 -0.0006 -0.0053 1276 ILE 780 2HD1 0.0008 0.0004 -0.0043 1277 ILE 780 3HD1 0.0007 0.0006 -0.0060 1278 CYS 781 N 0.0014 0.0018 -0.0043 1279 CYS 781 HN 0.0012 0.0016 -0.0052 1280 CYS 781 CA 0.0012 0.0013 -0.0033 1281 CYS 781 C 0.0007 0.0000 -0.0033 1282 CYS 781 O 0.0005 -0.0004 -0.0041 1283 CYS 781 CB 0.0013 0.0014 -0.0036 1284 CYS 781 SG 0.0012 0.0009 -0.0024 1285 CYS 781 HA 0.0015 0.0016 -0.0024 1286 CYS 781 HB1 0.0017 0.0024 -0.0038 1287 CYS 781 HB2 0.0010 0.0010 -0.0045 1288 CYS 781 HG 0.0007 -0.0002 -0.0023 1289 LEU 782 N 0.0004 0.0002 -0.0029 1290 LEU 782 HN 0.0008 0.0007 -0.0022 1291 LEU 782 CA -0.0000 -0.0011 -0.0026 1292 LEU 782 C -0.0002 -0.0019 -0.0021 1293 LEU 782 O -0.0006 -0.0030 -0.0022 1294 LEU 782 CB 0.0002 -0.0013 -0.0016 1295 LEU 782 CG 0.0004 -0.0006 -0.0017 1296 LEU 782 CD1 0.0007 -0.0006 -0.0004 1297 LEU 782 CD2 -0.0000 -0.0010 -0.0028 1298 LEU 782 HA -0.0004 -0.0015 -0.0035 1299 LEU 782 HB1 0.0005 -0.0011 -0.0006 1300 LEU 782 HB2 -0.0002 -0.0023 -0.0015 1301 LEU 782 HG 0.0007 0.0004 -0.0020 1302 LEU 782 1HD1 0.0009 -0.0001 -0.0005 1303 LEU 782 2HD1 0.0004 -0.0016 -0.0001 1304 LEU 782 3HD1 0.0010 -0.0002 0.0003 1305 LEU 782 1HD2 0.0002 -0.0004 -0.0029 1306 LEU 782 2HD2 -0.0002 -0.0009 -0.0037 1307 LEU 782 3HD2 -0.0003 -0.0020 -0.0026 1308 THR 783 N 0.0002 -0.0012 -0.0015 1309 THR 783 HN 0.0005 -0.0003 -0.0017 1310 THR 783 CA 0.0002 -0.0019 -0.0006 1311 THR 783 C -0.0003 -0.0029 -0.0011 1312 THR 783 O -0.0005 -0.0039 -0.0005 1313 THR 783 CB 0.0007 -0.0009 0.0001 1314 THR 783 CG2 0.0008 -0.0016 0.0011 1315 THR 783 OG1 0.0012 -0.0002 0.0009 1316 THR 783 HG1 0.0012 0.0002 0.0003 1317 THR 783 HA 0.0002 -0.0024 0.0002 1318 THR 783 HB 0.0008 -0.0003 -0.0006 1319 THR 783 1HG2 0.0011 -0.0008 0.0015 1320 THR 783 2HG2 0.0007 -0.0022 0.0018 1321 THR 783 3HG2 0.0004 -0.0021 0.0006 1322 SER 784 N -0.0003 -0.0021 -0.0034 1323 SER 784 HN -0.0001 -0.0016 -0.0037 1324 SER 784 CA -0.0007 -0.0025 -0.0038 1325 SER 784 C -0.0011 -0.0030 -0.0042 1326 SER 784 O -0.0014 -0.0036 -0.0040 1327 SER 784 CB -0.0007 -0.0021 -0.0045 1328 SER 784 OG -0.0012 -0.0025 -0.0049 1329 SER 784 HG -0.0012 -0.0022 -0.0053 1330 SER 784 HA -0.0008 -0.0028 -0.0034 1331 SER 784 HB1 -0.0005 -0.0017 -0.0042 1332 SER 784 HB2 -0.0007 -0.0017 -0.0048 1333 THR 785 N -0.0012 -0.0027 -0.0047 1334 THR 785 HN -0.0009 -0.0021 -0.0048 1335 THR 785 CA -0.0015 -0.0030 -0.0050 1336 THR 785 C -0.0012 -0.0025 -0.0051 1337 THR 785 O -0.0008 -0.0019 -0.0050 1338 THR 785 CB -0.0019 -0.0032 -0.0057 1339 THR 785 CG2 -0.0023 -0.0038 -0.0056 1340 THR 785 OG1 -0.0018 -0.0026 -0.0062 1341 THR 785 HG1 -0.0021 -0.0027 -0.0067 1342 THR 785 HA -0.0016 -0.0035 -0.0046 1343 THR 785 HB -0.0021 -0.0033 -0.0060 1344 THR 785 1HG2 -0.0026 -0.0039 -0.0062 1345 THR 785 2HG2 -0.0021 -0.0037 -0.0054 1346 THR 785 3HG2 -0.0024 -0.0043 -0.0053 1347 VAL 786 N -0.0009 -0.0024 -0.0050 1348 VAL 786 HN -0.0011 -0.0027 -0.0050 1349 VAL 786 CA -0.0006 -0.0020 -0.0051 1350 VAL 786 C -0.0005 -0.0016 -0.0056 1351 VAL 786 O -0.0007 -0.0018 -0.0061 1352 VAL 786 CB -0.0008 -0.0022 -0.0051 1353 VAL 786 CG1 -0.0005 -0.0017 -0.0052 1354 VAL 786 CG2 -0.0008 -0.0025 -0.0045 1355 VAL 786 HA -0.0004 -0.0017 -0.0047 1356 VAL 786 HB -0.0010 -0.0024 -0.0055 1357 VAL 786 1HG1 -0.0006 -0.0019 -0.0053 1358 VAL 786 2HG1 -0.0003 -0.0015 -0.0049 1359 VAL 786 3HG1 -0.0004 -0.0015 -0.0057 1360 VAL 786 1HG2 -0.0009 -0.0026 -0.0045 1361 VAL 786 2HG2 -0.0010 -0.0028 -0.0044 1362 VAL 786 3HG2 -0.0006 -0.0022 -0.0042 1363 GLN 787 N -0.0002 -0.0011 -0.0056 1364 GLN 787 HN -0.0000 -0.0010 -0.0052 1365 GLN 787 CA -0.0000 -0.0007 -0.0061 1366 GLN 787 C 0.0002 -0.0003 -0.0061 1367 GLN 787 O 0.0005 -0.0000 -0.0057 1368 GLN 787 CB 0.0001 -0.0005 -0.0060 1369 GLN 787 CG -0.0001 -0.0009 -0.0059 1370 GLN 787 CD 0.0000 -0.0007 -0.0057 1371 GLN 787 NE2 -0.0002 -0.0011 -0.0055 1372 GLN 787 1HE2 -0.0000 -0.0010 -0.0054 1373 GLN 787 2HE2 -0.0004 -0.0015 -0.0056 1374 GLN 787 OE1 0.0003 -0.0003 -0.0056 1375 GLN 787 HA -0.0002 -0.0009 -0.0065 1376 GLN 787 HB1 0.0003 -0.0003 -0.0056 1377 GLN 787 HB2 0.0002 -0.0003 -0.0064 1378 GLN 787 HG1 -0.0003 -0.0011 -0.0063 1379 GLN 787 HG2 -0.0003 -0.0013 -0.0056 1380 LEU 788 N 0.0009 -0.0001 -0.0053 1381 LEU 788 HN 0.0005 -0.0003 -0.0058 1382 LEU 788 CA 0.0014 0.0003 -0.0053 1383 LEU 788 C 0.0019 0.0010 -0.0058 1384 LEU 788 O 0.0018 0.0011 -0.0065 1385 LEU 788 CB 0.0010 0.0001 -0.0057 1386 LEU 788 CG 0.0004 -0.0006 -0.0053 1387 LEU 788 CD1 -0.0000 -0.0008 -0.0059 1388 LEU 788 CD2 0.0007 -0.0007 -0.0043 1389 LEU 788 HA 0.0017 0.0003 -0.0046 1390 LEU 788 HB1 0.0008 0.0002 -0.0064 1391 LEU 788 HB2 0.0014 0.0004 -0.0056 1392 LEU 788 HG 0.0001 -0.0009 -0.0052 1393 LEU 788 1HD1 -0.0005 -0.0012 -0.0056 1394 LEU 788 2HD1 0.0003 -0.0005 -0.0059 1395 LEU 788 3HD1 -0.0002 -0.0007 -0.0065 1396 LEU 788 1HD2 0.0002 -0.0012 -0.0041 1397 LEU 788 2HD2 0.0010 -0.0005 -0.0039 1398 LEU 788 3HD2 0.0010 -0.0004 -0.0043 1399 ILE 789 N 0.0026 0.0015 -0.0054 1400 ILE 789 HN 0.0027 0.0014 -0.0048 1401 ILE 789 CA 0.0032 0.0021 -0.0058 1402 ILE 789 C 0.0036 0.0025 -0.0061 1403 ILE 789 O 0.0038 0.0026 -0.0055 1404 ILE 789 CB 0.0037 0.0023 -0.0052 1405 ILE 789 CG1 0.0032 0.0018 -0.0048 1406 ILE 789 CG2 0.0042 0.0030 -0.0057 1407 ILE 789 CD1 0.0029 0.0017 -0.0054 1408 ILE 789 HA 0.0029 0.0021 -0.0064 1409 ILE 789 HB 0.0039 0.0024 -0.0047 1410 ILE 789 1HG1 0.0028 0.0013 -0.0045 1411 ILE 789 2HG1 0.0036 0.0019 -0.0042 1412 ILE 789 1HG2 0.0046 0.0032 -0.0053 1413 ILE 789 2HG2 0.0039 0.0029 -0.0063 1414 ILE 789 3HG2 0.0045 0.0033 -0.0059 1415 ILE 789 1HD1 0.0026 0.0013 -0.0051 1416 ILE 789 2HD1 0.0025 0.0016 -0.0060 1417 ILE 789 3HD1 0.0032 0.0021 -0.0057 1418 THR 790 N 0.0058 0.0028 -0.0047 1419 THR 790 HN 0.0059 0.0028 -0.0042 1420 THR 790 CA 0.0054 0.0022 -0.0040 1421 THR 790 C 0.0047 0.0011 -0.0031 1422 THR 790 O 0.0050 0.0011 -0.0025 1423 THR 790 CB 0.0064 0.0028 -0.0030 1424 THR 790 CG2 0.0063 0.0021 -0.0015 1425 THR 790 OG1 0.0067 0.0033 -0.0037 1426 THR 790 HG1 0.0068 0.0037 -0.0046 1427 THR 790 HA 0.0050 0.0020 -0.0048 1428 THR 790 HB 0.0071 0.0034 -0.0029 1429 THR 790 1HG2 0.0071 0.0026 -0.0009 1430 THR 790 2HG2 0.0057 0.0015 -0.0016 1431 THR 790 3HG2 0.0061 0.0017 -0.0010 1432 GLN 791 N 0.0038 0.0002 -0.0030 1433 GLN 791 HN 0.0036 0.0002 -0.0036 1434 GLN 791 CA 0.0032 -0.0009 -0.0021 1435 GLN 791 C 0.0038 -0.0008 -0.0005 1436 GLN 791 O 0.0044 -0.0004 0.0001 1437 GLN 791 CB 0.0023 -0.0017 -0.0022 1438 GLN 791 CG 0.0015 -0.0029 -0.0013 1439 GLN 791 CD 0.0010 -0.0035 -0.0008 1440 GLN 791 NE2 0.0002 -0.0046 -0.0001 1441 GLN 791 1HE2 -0.0000 -0.0048 -0.0001 1442 GLN 791 2HE2 -0.0001 -0.0050 0.0003 1443 GLN 791 OE1 0.0013 -0.0032 -0.0008 1444 GLN 791 HA 0.0028 -0.0011 -0.0025 1445 GLN 791 HB1 0.0019 -0.0017 -0.0033 1446 GLN 791 HB2 0.0027 -0.0015 -0.0017 1447 GLN 791 HG1 0.0018 -0.0028 -0.0005 1448 GLN 791 HG2 0.0008 -0.0033 -0.0021 1449 LEU 792 N 0.0036 -0.0025 0.0017 1450 LEU 792 HN 0.0031 -0.0031 0.0006 1451 LEU 792 CA 0.0042 -0.0022 0.0037 1452 LEU 792 C 0.0038 -0.0033 0.0055 1453 LEU 792 O 0.0029 -0.0049 0.0055 1454 LEU 792 CB 0.0040 -0.0025 0.0037 1455 LEU 792 CG 0.0049 -0.0012 0.0048 1456 LEU 792 CD1 0.0044 -0.0021 0.0050 1457 LEU 792 CD2 0.0056 -0.0006 0.0069 1458 LEU 792 HA 0.0051 -0.0007 0.0039 1459 LEU 792 HB1 0.0037 -0.0025 0.0021 1460 LEU 792 HB2 0.0033 -0.0039 0.0045 1461 LEU 792 HG 0.0055 0.0000 0.0037 1462 LEU 792 1HD1 0.0051 -0.0012 0.0057 1463 LEU 792 2HD1 0.0038 -0.0034 0.0060 1464 LEU 792 3HD1 0.0040 -0.0024 0.0035 1465 LEU 792 1HD2 0.0063 0.0003 0.0074 1466 LEU 792 2HD2 0.0060 0.0001 0.0067 1467 LEU 792 3HD2 0.0051 -0.0018 0.0080 1468 MET 793 N 0.0046 -0.0024 0.0071 1469 MET 793 HN 0.0054 -0.0010 0.0070 1470 MET 793 CA 0.0044 -0.0033 0.0091 1471 MET 793 C 0.0046 -0.0034 0.0106 1472 MET 793 O 0.0056 -0.0020 0.0113 1473 MET 793 CB 0.0052 -0.0023 0.0100 1474 MET 793 CG 0.0050 -0.0022 0.0085 1475 MET 793 SD 0.0037 -0.0044 0.0084 1476 MET 793 CE 0.0035 -0.0040 0.0057 1477 MET 793 HA 0.0036 -0.0047 0.0088 1478 MET 793 HB1 0.0060 -0.0009 0.0102 1479 MET 793 HB2 0.0050 -0.0030 0.0115 1480 MET 793 HG1 0.0050 -0.0018 0.0069 1481 MET 793 HG2 0.0056 -0.0012 0.0090 1482 MET 793 HE1 0.0027 -0.0051 0.0053 1483 MET 793 HE2 0.0042 -0.0028 0.0056 1484 MET 793 HE3 0.0034 -0.0037 0.0047 1485 PRO 794 N 0.0034 -0.0036 0.0154 1486 PRO 794 CA 0.0038 -0.0036 0.0175 1487 PRO 794 C 0.0042 -0.0035 0.0186 1488 PRO 794 O 0.0050 -0.0034 0.0202 1489 PRO 794 CB 0.0019 -0.0040 0.0181 1490 PRO 794 CG 0.0004 -0.0043 0.0167 1491 PRO 794 CD 0.0015 -0.0040 0.0148 1492 PRO 794 HA 0.0049 -0.0034 0.0176 1493 PRO 794 HB1 0.0015 -0.0040 0.0196 1494 PRO 794 HB2 0.0020 -0.0039 0.0180 1495 PRO 794 HG1 -0.0002 -0.0044 0.0172 1496 PRO 794 HG2 -0.0008 -0.0045 0.0165 1497 PRO 794 HD1 0.0009 -0.0041 0.0140 1498 PRO 794 HD2 0.0014 -0.0040 0.0139 1499 PHE 795 N 0.0036 -0.0036 0.0179 1500 PHE 795 HN 0.0029 -0.0038 0.0166 1501 PHE 795 CA 0.0041 -0.0035 0.0188 1502 PHE 795 C 0.0061 -0.0031 0.0184 1503 PHE 795 O 0.0068 -0.0030 0.0193 1504 PHE 795 CB 0.0026 -0.0038 0.0182 1505 PHE 795 CG 0.0007 -0.0042 0.0189 1506 PHE 795 CD1 0.0002 -0.0043 0.0208 1507 PHE 795 CD2 -0.0008 -0.0045 0.0177 1508 PHE 795 CE1 -0.0016 -0.0047 0.0216 1509 PHE 795 CE2 -0.0026 -0.0049 0.0184 1510 PHE 795 CZ -0.0031 -0.0050 0.0203 1511 PHE 795 HA 0.0039 -0.0036 0.0204 1512 PHE 795 HB1 0.0026 -0.0038 0.0166 1513 PHE 795 HB2 0.0031 -0.0037 0.0187 1514 PHE 795 HD1 0.0014 -0.0041 0.0218 1515 PHE 795 HD2 -0.0005 -0.0044 0.0162 1516 PHE 795 HE1 -0.0019 -0.0047 0.0231 1517 PHE 795 HE2 -0.0038 -0.0051 0.0174 1518 PHE 795 HZ -0.0045 -0.0052 0.0209 1519 GLY 796 N 0.0053 -0.0003 0.0142 1520 GLY 796 HN 0.0053 -0.0002 0.0142 1521 GLY 796 CA 0.0063 -0.0009 0.0138 1522 GLY 796 C 0.0061 -0.0013 0.0126 1523 GLY 796 O 0.0054 -0.0012 0.0120 1524 GLY 796 HA1 0.0068 -0.0012 0.0140 1525 GLY 796 HA2 0.0065 -0.0009 0.0143 1526 CYS 797 N 0.0069 -0.0018 0.0124 1527 CYS 797 HN 0.0075 -0.0019 0.0129 1528 CYS 797 CA 0.0068 -0.0022 0.0113 1529 CYS 797 C 0.0060 -0.0019 0.0110 1530 CYS 797 O 0.0058 -0.0015 0.0117 1531 CYS 797 CB 0.0079 -0.0029 0.0111 1532 CYS 797 SG 0.0084 -0.0029 0.0118 1533 CYS 797 HA 0.0066 -0.0023 0.0107 1534 CYS 797 HB1 0.0078 -0.0032 0.0102 1535 CYS 797 HB2 0.0084 -0.0031 0.0113 1536 CYS 797 HG 0.0085 -0.0025 0.0129 1537 LEU 798 N 0.0074 -0.0026 0.0027 1538 LEU 798 HN 0.0076 -0.0030 0.0023 1539 LEU 798 CA 0.0065 -0.0028 0.0036 1540 LEU 798 C 0.0062 -0.0018 0.0043 1541 LEU 798 O 0.0057 -0.0017 0.0050 1542 LEU 798 CB 0.0062 -0.0038 0.0037 1543 LEU 798 CG 0.0053 -0.0044 0.0045 1544 LEU 798 CD1 0.0052 -0.0047 0.0045 1545 LEU 798 CD2 0.0051 -0.0055 0.0044 1546 LEU 798 HA 0.0064 -0.0031 0.0036 1547 LEU 798 HB1 0.0065 -0.0045 0.0031 1548 LEU 798 HB2 0.0062 -0.0035 0.0038 1549 LEU 798 HG 0.0050 -0.0038 0.0051 1550 LEU 798 1HD1 0.0046 -0.0051 0.0051 1551 LEU 798 2HD1 0.0055 -0.0053 0.0039 1552 LEU 798 3HD1 0.0053 -0.0040 0.0046 1553 LEU 798 1HD2 0.0045 -0.0059 0.0050 1554 LEU 798 2HD2 0.0051 -0.0052 0.0044 1555 LEU 798 3HD2 0.0054 -0.0060 0.0038 1556 LEU 799 N 0.0065 -0.0011 0.0042 1557 LEU 799 HN 0.0069 -0.0013 0.0037 1558 LEU 799 CA 0.0063 -0.0000 0.0048 1559 LEU 799 C 0.0063 0.0007 0.0050 1560 LEU 799 O 0.0058 0.0012 0.0058 1561 LEU 799 CB 0.0068 0.0006 0.0045 1562 LEU 799 CG 0.0066 0.0018 0.0050 1563 LEU 799 CD1 0.0058 0.0016 0.0059 1564 LEU 799 CD2 0.0072 0.0024 0.0045 1565 LEU 799 HA 0.0057 -0.0002 0.0055 1566 LEU 799 HB1 0.0067 0.0001 0.0044 1567 LEU 799 HB2 0.0074 0.0008 0.0038 1568 LEU 799 HG 0.0066 0.0022 0.0052 1569 LEU 799 1HD1 0.0057 0.0025 0.0063 1570 LEU 799 2HD1 0.0058 0.0011 0.0058 1571 LEU 799 3HD1 0.0054 0.0012 0.0063 1572 LEU 799 1HD2 0.0071 0.0032 0.0049 1573 LEU 799 2HD2 0.0078 0.0025 0.0039 1574 LEU 799 3HD2 0.0073 0.0019 0.0043 1575 ASP 800 N 0.0078 -0.0005 0.0093 1576 ASP 800 HN 0.0080 -0.0007 0.0090 1577 ASP 800 CA 0.0078 -0.0002 0.0097 1578 ASP 800 C 0.0073 -0.0003 0.0099 1579 ASP 800 O 0.0071 -0.0001 0.0104 1580 ASP 800 CB 0.0083 -0.0001 0.0095 1581 ASP 800 CG 0.0088 0.0002 0.0093 1582 ASP 800 OD1 0.0088 0.0004 0.0095 1583 ASP 800 OD2 0.0092 0.0002 0.0090 1584 ASP 800 HA 0.0079 0.0001 0.0100 1585 ASP 800 HB1 0.0082 -0.0004 0.0091 1586 ASP 800 HB2 0.0082 0.0001 0.0097 1587 TYR 801 N 0.0070 -0.0008 0.0097 1588 TYR 801 HN 0.0072 -0.0010 0.0093 1589 TYR 801 CA 0.0065 -0.0010 0.0098 1590 TYR 801 C 0.0061 -0.0010 0.0102 1591 TYR 801 O 0.0058 -0.0008 0.0106 1592 TYR 801 CB 0.0064 -0.0015 0.0094 1593 TYR 801 CG 0.0060 -0.0017 0.0095 1594 TYR 801 CD1 0.0061 -0.0016 0.0094 1595 TYR 801 CD2 0.0054 -0.0019 0.0096 1596 TYR 801 CE1 0.0057 -0.0018 0.0095 1597 TYR 801 CE2 0.0050 -0.0021 0.0097 1598 TYR 801 CZ 0.0052 -0.0021 0.0096 1599 TYR 801 OH 0.0048 -0.0023 0.0097 1600 TYR 801 HH 0.0044 -0.0024 0.0098 1601 TYR 801 HA 0.0066 -0.0008 0.0100 1602 TYR 801 HB1 0.0067 -0.0015 0.0091 1603 TYR 801 HB2 0.0063 -0.0016 0.0093 1604 TYR 801 HD1 0.0065 -0.0015 0.0093 1605 TYR 801 HD2 0.0053 -0.0020 0.0097 1606 TYR 801 HE1 0.0058 -0.0018 0.0094 1607 TYR 801 HE2 0.0046 -0.0023 0.0098 1608 VAL 802 N 0.0055 -0.0032 -0.0014 1609 VAL 802 HN 0.0054 -0.0021 -0.0020 1610 VAL 802 CA 0.0056 -0.0035 0.0013 1611 VAL 802 C 0.0056 -0.0022 0.0023 1612 VAL 802 O 0.0057 -0.0030 0.0042 1613 VAL 802 CB 0.0057 -0.0026 0.0028 1614 VAL 802 CG1 0.0057 -0.0042 0.0021 1615 VAL 802 CG2 0.0055 0.0002 0.0025 1616 VAL 802 HA 0.0058 -0.0054 0.0016 1617 VAL 802 HB 0.0058 -0.0029 0.0048 1618 VAL 802 1HG1 0.0057 -0.0036 0.0032 1619 VAL 802 2HG1 0.0056 -0.0039 0.0002 1620 VAL 802 3HG1 0.0058 -0.0061 0.0025 1621 VAL 802 1HG2 0.0055 0.0008 0.0037 1622 VAL 802 2HG2 0.0054 0.0013 0.0031 1623 VAL 802 3HG2 0.0053 0.0006 0.0006 1624 ARG 803 N 0.0054 -0.0003 0.0010 1625 ARG 803 HN 0.0053 0.0004 -0.0005 1626 ARG 803 CA 0.0054 0.0008 0.0015 1627 ARG 803 C 0.0054 -0.0008 0.0006 1628 ARG 803 O 0.0055 -0.0011 0.0020 1629 ARG 803 CB 0.0052 0.0034 0.0002 1630 ARG 803 CG 0.0051 0.0054 0.0014 1631 ARG 803 CD 0.0049 0.0079 0.0000 1632 ARG 803 NE 0.0048 0.0097 0.0012 1633 ARG 803 HE 0.0049 0.0092 0.0028 1634 ARG 803 CZ 0.0047 0.0120 0.0004 1635 ARG 803 NH1 0.0045 0.0129 -0.0016 1636 ARG 803 1HH1 0.0044 0.0146 -0.0022 1637 ARG 803 2HH1 0.0045 0.0118 -0.0025 1638 ARG 803 NH2 0.0046 0.0134 0.0016 1639 ARG 803 1HH2 0.0045 0.0152 0.0009 1640 ARG 803 2HH2 0.0047 0.0128 0.0031 1641 ARG 803 HA 0.0055 0.0011 0.0035 1642 ARG 803 HB1 0.0051 0.0032 -0.0017 1643 ARG 803 HB2 0.0051 0.0041 0.0005 1644 ARG 803 HG1 0.0052 0.0056 0.0033 1645 ARG 803 HG2 0.0051 0.0047 0.0012 1646 ARG 803 HD1 0.0048 0.0076 -0.0019 1647 ARG 803 HD2 0.0049 0.0085 0.0001 1648 GLU 804 N 0.0065 -0.0026 0.0070 1649 GLU 804 HN 0.0068 -0.0031 0.0080 1650 GLU 804 CA 0.0066 -0.0008 0.0081 1651 GLU 804 C 0.0062 0.0018 0.0069 1652 GLU 804 O 0.0061 0.0031 0.0067 1653 GLU 804 CB 0.0072 -0.0005 0.0110 1654 GLU 804 CG 0.0074 0.0008 0.0124 1655 GLU 804 CD 0.0079 0.0002 0.0152 1656 GLU 804 OE1 0.0082 0.0005 0.0164 1657 GLU 804 OE2 0.0082 -0.0003 0.0162 1658 GLU 804 HA 0.0067 -0.0016 0.0079 1659 GLU 804 HB1 0.0075 -0.0024 0.0117 1660 GLU 804 HB2 0.0072 0.0006 0.0113 1661 GLU 804 HG1 0.0072 0.0028 0.0121 1662 GLU 804 HG2 0.0073 0.0000 0.0116 1663 HIS 805 N 0.0060 0.0028 0.0061 1664 HIS 805 HN 0.0061 0.0016 0.0062 1665 HIS 805 CA 0.0056 0.0053 0.0050 1666 HIS 805 C 0.0051 0.0052 0.0022 1667 HIS 805 O 0.0048 0.0069 0.0012 1668 HIS 805 CB 0.0058 0.0068 0.0063 1669 HIS 805 CG 0.0063 0.0071 0.0090 1670 HIS 805 CD2 0.0065 0.0083 0.0103 1671 HIS 805 ND1 0.0067 0.0058 0.0107 1672 HIS 805 HD1 0.0067 0.0048 0.0102 1673 HIS 805 CE1 0.0071 0.0064 0.0129 1674 HIS 805 NE2 0.0070 0.0079 0.0128 1675 HIS 805 HE2 0.0072 0.0085 0.0143 1676 HIS 805 HA 0.0056 0.0063 0.0053 1677 HIS 805 HB1 0.0058 0.0058 0.0060 1678 HIS 805 HB2 0.0055 0.0087 0.0055 1679 HIS 805 HD2 0.0062 0.0095 0.0095 1680 HIS 805 HE1 0.0075 0.0056 0.0146 1681 LYS 806 N 0.0077 0.0061 -0.0039 1682 LYS 806 HN 0.0075 0.0055 -0.0036 1683 LYS 806 CA 0.0056 0.0054 -0.0054 1684 LYS 806 C 0.0055 0.0074 -0.0071 1685 LYS 806 O 0.0048 0.0069 -0.0075 1686 LYS 806 CB 0.0037 0.0046 -0.0067 1687 LYS 806 CG 0.0013 0.0033 -0.0080 1688 LYS 806 CD -0.0005 0.0020 -0.0087 1689 LYS 806 CE -0.0028 0.0006 -0.0098 1690 LYS 806 NZ -0.0045 -0.0007 -0.0105 1691 LYS 806 HZ1 -0.0061 -0.0017 -0.0112 1692 LYS 806 HZ2 -0.0045 0.0005 -0.0114 1693 LYS 806 HZ3 -0.0040 -0.0018 -0.0091 1694 LYS 806 HA 0.0054 0.0038 -0.0044 1695 LYS 806 HB1 0.0039 0.0033 -0.0054 1696 LYS 806 HB2 0.0038 0.0062 -0.0078 1697 LYS 806 HG1 0.0010 0.0047 -0.0094 1698 LYS 806 HG2 0.0013 0.0020 -0.0069 1699 LYS 806 HD1 -0.0000 0.0008 -0.0073 1700 LYS 806 HD2 -0.0006 0.0034 -0.0099 1701 LYS 806 HE1 -0.0034 0.0018 -0.0113 1702 LYS 806 HE2 -0.0028 -0.0008 -0.0087 1703 ASP 807 N 0.0062 0.0097 -0.0082 1704 ASP 807 HN 0.0068 0.0099 -0.0078 1705 ASP 807 CA 0.0063 0.0118 -0.0099 1706 ASP 807 C 0.0082 0.0130 -0.0090 1707 ASP 807 O 0.0081 0.0144 -0.0101 1708 ASP 807 CB 0.0063 0.0138 -0.0114 1709 ASP 807 CG 0.0064 0.0131 -0.0108 1710 ASP 807 OD1 0.0049 0.0131 -0.0123 1711 ASP 807 OD2 0.0079 0.0125 -0.0088 1712 ASP 807 HA 0.0047 0.0113 -0.0110 1713 ASP 807 HB1 0.0077 0.0155 -0.0114 1714 ASP 807 HB2 0.0047 0.0140 -0.0131 1715 ASN 808 N 0.0058 0.0141 -0.0077 1716 ASN 808 HN 0.0061 0.0125 -0.0066 1717 ASN 808 CA 0.0094 0.0146 -0.0063 1718 ASN 808 C 0.0101 0.0104 -0.0034 1719 ASN 808 O 0.0138 0.0100 -0.0014 1720 ASN 808 CB 0.0137 0.0174 -0.0060 1721 ASN 808 CG 0.0134 0.0219 -0.0089 1722 ASN 808 ND2 0.0156 0.0244 -0.0093 1723 ASN 808 1HD2 0.0154 0.0274 -0.0113 1724 ASN 808 2HD2 0.0172 0.0231 -0.0078 1725 ASN 808 OD1 0.0115 0.0234 -0.0107 1726 ASN 808 HA 0.0084 0.0162 -0.0078 1727 ASN 808 HB1 0.0143 0.0164 -0.0051 1728 ASN 808 HB2 0.0164 0.0171 -0.0045 1729 ILE 809 N 0.0066 0.0072 -0.0031 1730 ILE 809 HN 0.0036 0.0076 -0.0048 1731 ILE 809 CA 0.0067 0.0032 -0.0006 1732 ILE 809 C 0.0035 0.0024 -0.0017 1733 ILE 809 O -0.0004 0.0025 -0.0035 1734 ILE 809 CB 0.0058 -0.0004 0.0011 1735 ILE 809 CG1 0.0096 0.0001 0.0026 1736 ILE 809 CG2 0.0051 -0.0046 0.0034 1737 ILE 809 CD1 0.0084 -0.0025 0.0037 1738 ILE 809 HA 0.0100 0.0035 0.0008 1739 ILE 809 HB 0.0028 -0.0002 -0.0003 1740 ILE 809 1HG1 0.0124 -0.0008 0.0045 1741 ILE 809 2HG1 0.0106 0.0034 0.0011 1742 ILE 809 1HG2 0.0045 -0.0071 0.0046 1743 ILE 809 2HG2 0.0081 -0.0048 0.0049 1744 ILE 809 3HG2 0.0023 -0.0050 0.0024 1745 ILE 809 1HD1 0.0112 -0.0020 0.0047 1746 ILE 809 2HD1 0.0075 -0.0058 0.0052 1747 ILE 809 3HD1 0.0057 -0.0016 0.0018 1748 GLY 810 N 0.0060 -0.0061 -0.0017 1749 GLY 810 HN 0.0066 -0.0054 -0.0004 1750 GLY 810 CA 0.0055 -0.0056 -0.0034 1751 GLY 810 C 0.0053 -0.0069 -0.0032 1752 GLY 810 O 0.0055 -0.0081 -0.0018 1753 GLY 810 HA1 0.0050 -0.0060 -0.0048 1754 GLY 810 HA2 0.0058 -0.0040 -0.0035 1755 SER 811 N 0.0048 -0.0066 -0.0048 1756 SER 811 HN 0.0047 -0.0055 -0.0059 1757 SER 811 CA 0.0045 -0.0077 -0.0051 1758 SER 811 C 0.0051 -0.0074 -0.0034 1759 SER 811 O 0.0050 -0.0088 -0.0027 1760 SER 811 CB 0.0039 -0.0070 -0.0071 1761 SER 811 OG 0.0043 -0.0049 -0.0075 1762 SER 811 HG 0.0039 -0.0045 -0.0088 1763 SER 811 HA 0.0041 -0.0093 -0.0050 1764 SER 811 HB1 0.0038 -0.0077 -0.0072 1765 SER 811 HB2 0.0034 -0.0077 -0.0083 1766 GLN 812 N 0.0024 -0.0058 -0.0011 1767 GLN 812 HN 0.0023 -0.0051 -0.0012 1768 GLN 812 CA 0.0026 -0.0054 -0.0004 1769 GLN 812 C 0.0030 -0.0062 0.0009 1770 GLN 812 O 0.0031 -0.0067 0.0011 1771 GLN 812 CB 0.0025 -0.0038 0.0001 1772 GLN 812 CG 0.0026 -0.0032 0.0008 1773 GLN 812 CD 0.0023 -0.0032 -0.0001 1774 GLN 812 NE2 0.0025 -0.0041 -0.0001 1775 GLN 812 1HE2 0.0023 -0.0041 -0.0008 1776 GLN 812 2HE2 0.0027 -0.0049 0.0005 1777 GLN 812 OE1 0.0020 -0.0022 -0.0009 1778 GLN 812 HA 0.0024 -0.0055 -0.0010 1779 GLN 812 HB1 0.0022 -0.0032 -0.0008 1780 GLN 812 HB2 0.0027 -0.0037 0.0008 1781 GLN 812 HG1 0.0026 -0.0022 0.0013 1782 GLN 812 HG2 0.0029 -0.0039 0.0017 1783 TYR 813 N 0.0033 -0.0065 0.0017 1784 TYR 813 HN 0.0031 -0.0060 0.0015 1785 TYR 813 CA 0.0037 -0.0073 0.0029 1786 TYR 813 C 0.0038 -0.0088 0.0026 1787 TYR 813 O 0.0041 -0.0094 0.0033 1788 TYR 813 CB 0.0039 -0.0072 0.0038 1789 TYR 813 CG 0.0039 -0.0058 0.0045 1790 TYR 813 CD1 0.0037 -0.0046 0.0043 1791 TYR 813 CD2 0.0042 -0.0057 0.0055 1792 TYR 813 CE1 0.0038 -0.0033 0.0050 1793 TYR 813 CE2 0.0043 -0.0045 0.0062 1794 TYR 813 CZ 0.0040 -0.0033 0.0060 1795 TYR 813 OH 0.0041 -0.0021 0.0068 1796 TYR 813 HH 0.0043 -0.0021 0.0075 1797 TYR 813 HA 0.0038 -0.0069 0.0036 1798 TYR 813 HB1 0.0037 -0.0073 0.0031 1799 TYR 813 HB2 0.0042 -0.0080 0.0045 1800 TYR 813 HD1 0.0035 -0.0046 0.0035 1801 TYR 813 HD2 0.0044 -0.0067 0.0057 1802 TYR 813 HE1 0.0036 -0.0024 0.0048 1803 TYR 813 HE2 0.0045 -0.0045 0.0070 1804 LEU 814 N 0.0035 -0.0080 0.0012 1805 LEU 814 HN 0.0033 -0.0075 0.0007 1806 LEU 814 CA 0.0032 -0.0091 0.0010 1807 LEU 814 C 0.0031 -0.0097 0.0010 1808 LEU 814 O 0.0032 -0.0105 0.0015 1809 LEU 814 CB 0.0026 -0.0092 0.0001 1810 LEU 814 CG 0.0026 -0.0091 0.0001 1811 LEU 814 CD1 0.0021 -0.0088 -0.0009 1812 LEU 814 CD2 0.0027 -0.0101 0.0005 1813 LEU 814 HA 0.0034 -0.0096 0.0016 1814 LEU 814 HB1 0.0024 -0.0086 -0.0004 1815 LEU 814 HB2 0.0023 -0.0100 -0.0001 1816 LEU 814 HG 0.0030 -0.0084 0.0005 1817 LEU 814 1HD1 0.0021 -0.0086 -0.0009 1818 LEU 814 2HD1 0.0017 -0.0094 -0.0013 1819 LEU 814 3HD1 0.0020 -0.0080 -0.0012 1820 LEU 814 1HD2 0.0027 -0.0099 0.0005 1821 LEU 814 2HD2 0.0031 -0.0102 0.0012 1822 LEU 814 3HD2 0.0024 -0.0107 0.0001 1823 LEU 815 N 0.0029 -0.0091 0.0005 1824 LEU 815 HN 0.0028 -0.0085 0.0001 1825 LEU 815 CA 0.0028 -0.0095 0.0005 1826 LEU 815 C 0.0034 -0.0095 0.0015 1827 LEU 815 O 0.0034 -0.0103 0.0018 1828 LEU 815 CB 0.0025 -0.0089 -0.0002 1829 LEU 815 CG 0.0018 -0.0092 -0.0012 1830 LEU 815 CD1 0.0015 -0.0084 -0.0020 1831 LEU 815 CD2 0.0015 -0.0103 -0.0014 1832 LEU 815 HA 0.0026 -0.0104 0.0004 1833 LEU 815 HB1 0.0026 -0.0081 -0.0002 1834 LEU 815 HB2 0.0025 -0.0091 -0.0001 1835 LEU 815 HG 0.0018 -0.0091 -0.0013 1836 LEU 815 1HD1 0.0011 -0.0086 -0.0026 1837 LEU 815 2HD1 0.0015 -0.0084 -0.0019 1838 LEU 815 3HD1 0.0017 -0.0076 -0.0018 1839 LEU 815 1HD2 0.0010 -0.0104 -0.0021 1840 LEU 815 2HD2 0.0017 -0.0109 -0.0009 1841 LEU 815 3HD2 0.0015 -0.0104 -0.0014 1842 ASN 816 N 0.0006 -0.0059 0.0031 1843 ASN 816 HN 0.0004 -0.0055 0.0031 1844 ASN 816 CA 0.0007 -0.0058 0.0037 1845 ASN 816 C 0.0012 -0.0065 0.0041 1846 ASN 816 O 0.0013 -0.0067 0.0042 1847 ASN 816 CB 0.0007 -0.0051 0.0042 1848 ASN 816 CG 0.0003 -0.0043 0.0039 1849 ASN 816 ND2 0.0002 -0.0037 0.0043 1850 ASN 816 1HD2 -0.0001 -0.0032 0.0041 1851 ASN 816 2HD2 0.0004 -0.0037 0.0049 1852 ASN 816 OD1 0.0000 -0.0044 0.0032 1853 ASN 816 HA 0.0006 -0.0057 0.0033 1854 ASN 816 HB1 0.0007 -0.0051 0.0044 1855 ASN 816 HB2 0.0009 -0.0051 0.0047 1856 TRP 817 N 0.0014 -0.0068 0.0044 1857 TRP 817 HN 0.0013 -0.0066 0.0043 1858 TRP 817 CA 0.0018 -0.0075 0.0048 1859 TRP 817 C 0.0019 -0.0082 0.0043 1860 TRP 817 O 0.0022 -0.0086 0.0045 1861 TRP 817 CB 0.0020 -0.0078 0.0050 1862 TRP 817 CG 0.0020 -0.0072 0.0056 1863 TRP 817 CD1 0.0020 -0.0067 0.0062 1864 TRP 817 CD2 0.0020 -0.0071 0.0058 1865 TRP 817 CE2 0.0020 -0.0065 0.0064 1866 TRP 817 CE3 0.0020 -0.0074 0.0054 1867 TRP 817 NE1 0.0020 -0.0063 0.0066 1868 TRP 817 HE1 0.0020 -0.0058 0.0071 1869 TRP 817 CZ2 0.0020 -0.0062 0.0067 1870 TRP 817 CZ3 0.0020 -0.0072 0.0057 1871 TRP 817 CH2 0.0020 -0.0066 0.0063 1872 TRP 817 HA 0.0020 -0.0074 0.0053 1873 TRP 817 HB1 0.0019 -0.0078 0.0045 1874 TRP 817 HB2 0.0023 -0.0083 0.0052 1875 TRP 817 HD1 0.0020 -0.0066 0.0063 1876 TRP 817 HE3 0.0020 -0.0079 0.0049 1877 TRP 817 HZ2 0.0020 -0.0058 0.0072 1878 TRP 817 HZ3 0.0020 -0.0074 0.0054 1879 TRP 817 HH2 0.0020 -0.0064 0.0065 1880 CYS 818 N -0.0022 -0.0087 0.0049 1881 CYS 818 HN -0.0019 -0.0090 0.0046 1882 CYS 818 CA -0.0018 -0.0085 0.0042 1883 CYS 818 C -0.0022 -0.0071 0.0042 1884 CYS 818 O -0.0024 -0.0070 0.0044 1885 CYS 818 CB -0.0008 -0.0086 0.0031 1886 CYS 818 SG -0.0002 -0.0102 0.0030 1887 CYS 818 HA -0.0018 -0.0092 0.0045 1888 CYS 818 HB1 -0.0008 -0.0079 0.0028 1889 CYS 818 HB2 -0.0005 -0.0083 0.0026 1890 CYS 818 HG -0.0002 -0.0110 0.0033 1891 VAL 819 N -0.0025 -0.0061 0.0042 1892 VAL 819 HN -0.0023 -0.0062 0.0041 1893 VAL 819 CA -0.0029 -0.0048 0.0042 1894 VAL 819 C -0.0038 -0.0048 0.0053 1895 VAL 819 O -0.0040 -0.0042 0.0053 1896 VAL 819 CB -0.0031 -0.0038 0.0041 1897 VAL 819 CG1 -0.0035 -0.0025 0.0041 1898 VAL 819 CG2 -0.0023 -0.0038 0.0031 1899 VAL 819 HA -0.0025 -0.0045 0.0036 1900 VAL 819 HB -0.0036 -0.0041 0.0048 1901 VAL 819 1HG1 -0.0037 -0.0018 0.0040 1902 VAL 819 2HG1 -0.0031 -0.0022 0.0035 1903 VAL 819 3HG1 -0.0041 -0.0024 0.0048 1904 VAL 819 1HG2 -0.0024 -0.0031 0.0030 1905 VAL 819 2HG2 -0.0020 -0.0048 0.0031 1906 VAL 819 3HG2 -0.0018 -0.0036 0.0025 1907 GLN 820 N -0.0018 -0.0041 0.0051 1908 GLN 820 HN -0.0018 -0.0044 0.0053 1909 GLN 820 CA -0.0023 -0.0041 0.0053 1910 GLN 820 C -0.0021 -0.0040 0.0052 1911 GLN 820 O -0.0023 -0.0038 0.0050 1912 GLN 820 CB -0.0026 -0.0045 0.0057 1913 GLN 820 CG -0.0029 -0.0044 0.0057 1914 GLN 820 CD -0.0032 -0.0049 0.0061 1915 GLN 820 NE2 -0.0034 -0.0049 0.0062 1916 GLN 820 1HE2 -0.0033 -0.0047 0.0061 1917 GLN 820 2HE2 -0.0036 -0.0052 0.0065 1918 GLN 820 OE1 -0.0033 -0.0051 0.0063 1919 GLN 820 HA -0.0026 -0.0037 0.0051 1920 GLN 820 HB1 -0.0023 -0.0048 0.0058 1921 GLN 820 HB2 -0.0029 -0.0045 0.0057 1922 GLN 820 HG1 -0.0032 -0.0041 0.0056 1923 GLN 820 HG2 -0.0026 -0.0044 0.0056 1924 ILE 821 N -0.0016 -0.0043 0.0053 1925 ILE 821 HN -0.0014 -0.0046 0.0054 1926 ILE 821 CA -0.0014 -0.0043 0.0052 1927 ILE 821 C -0.0012 -0.0039 0.0048 1928 ILE 821 O -0.0013 -0.0037 0.0047 1929 ILE 821 CB -0.0009 -0.0047 0.0054 1930 ILE 821 CG1 -0.0011 -0.0052 0.0058 1931 ILE 821 CG2 -0.0006 -0.0047 0.0053 1932 ILE 821 CD1 -0.0006 -0.0056 0.0059 1933 ILE 821 HA -0.0017 -0.0044 0.0053 1934 ILE 821 HB -0.0006 -0.0047 0.0053 1935 ILE 821 1HG1 -0.0013 -0.0053 0.0059 1936 ILE 821 2HG1 -0.0014 -0.0052 0.0058 1937 ILE 821 1HG2 -0.0002 -0.0050 0.0054 1938 ILE 821 2HG2 -0.0009 -0.0047 0.0054 1939 ILE 821 3HG2 -0.0004 -0.0044 0.0050 1940 ILE 821 1HD1 -0.0008 -0.0059 0.0062 1941 ILE 821 2HD1 -0.0003 -0.0056 0.0059 1942 ILE 821 3HD1 -0.0004 -0.0055 0.0058 1943 ALA 822 N -0.0039 -0.0033 0.0040 1944 ALA 822 HN -0.0040 -0.0031 0.0039 1945 ALA 822 CA -0.0039 -0.0033 0.0036 1946 ALA 822 C -0.0040 -0.0030 0.0038 1947 ALA 822 O -0.0039 -0.0032 0.0037 1948 ALA 822 CB -0.0039 -0.0032 0.0031 1949 ALA 822 HA -0.0037 -0.0036 0.0036 1950 ALA 822 HB1 -0.0039 -0.0032 0.0028 1951 ALA 822 HB2 -0.0041 -0.0028 0.0031 1952 ALA 822 HB3 -0.0038 -0.0034 0.0030 1953 LYS 823 N -0.0042 -0.0026 0.0040 1954 LYS 823 HN -0.0043 -0.0025 0.0040 1955 LYS 823 CA -0.0044 -0.0023 0.0042 1956 LYS 823 C -0.0043 -0.0025 0.0046 1957 LYS 823 O -0.0043 -0.0025 0.0046 1958 LYS 823 CB -0.0046 -0.0019 0.0044 1959 LYS 823 CG -0.0048 -0.0015 0.0040 1960 LYS 823 CD -0.0050 -0.0010 0.0041 1961 LYS 823 CE -0.0052 -0.0006 0.0037 1962 LYS 823 NZ -0.0053 -0.0003 0.0037 1963 LYS 823 HZ1 -0.0054 -0.0001 0.0034 1964 LYS 823 HZ2 -0.0054 -0.0002 0.0040 1965 LYS 823 HZ3 -0.0052 -0.0005 0.0036 1966 LYS 823 HA -0.0044 -0.0022 0.0039 1967 LYS 823 HB1 -0.0046 -0.0019 0.0045 1968 LYS 823 HB2 -0.0047 -0.0017 0.0047 1969 LYS 823 HG1 -0.0048 -0.0015 0.0038 1970 LYS 823 HG2 -0.0047 -0.0016 0.0037 1971 LYS 823 HD1 -0.0050 -0.0010 0.0042 1972 LYS 823 HD2 -0.0051 -0.0009 0.0045 1973 LYS 823 HE1 -0.0053 -0.0004 0.0039 1974 LYS 823 HE2 -0.0051 -0.0008 0.0034 1975 GLY 824 N -0.0030 -0.0011 0.0026 1976 GLY 824 HN -0.0029 -0.0013 0.0026 1977 GLY 824 CA -0.0032 -0.0010 0.0025 1978 GLY 824 C -0.0032 -0.0008 0.0025 1979 GLY 824 O -0.0034 -0.0006 0.0025 1980 GLY 824 HA1 -0.0033 -0.0010 0.0024 1981 GLY 824 HA2 -0.0032 -0.0012 0.0024 1982 MET 825 N -0.0030 -0.0007 0.0027 1983 MET 825 HN -0.0029 -0.0009 0.0027 1984 MET 825 CA -0.0030 -0.0004 0.0027 1985 MET 825 C -0.0030 -0.0003 0.0028 1986 MET 825 O -0.0031 -0.0000 0.0028 1987 MET 825 CB -0.0028 -0.0004 0.0028 1988 MET 825 CG -0.0029 -0.0006 0.0028 1989 MET 825 SD -0.0032 -0.0005 0.0026 1990 MET 825 CE -0.0031 -0.0001 0.0027 1991 MET 825 HA -0.0032 -0.0004 0.0026 1992 MET 825 HB1 -0.0027 -0.0006 0.0029 1993 MET 825 HB2 -0.0028 -0.0002 0.0029 1994 MET 825 HG1 -0.0029 -0.0008 0.0027 1995 MET 825 HG2 -0.0028 -0.0005 0.0029 1996 MET 825 HE1 -0.0033 -0.0000 0.0027 1997 MET 825 HE2 -0.0031 -0.0000 0.0028 1998 MET 825 HE3 -0.0030 -0.0001 0.0028 1999 ASN 826 N -0.0037 0.0013 0.0037 2000 ASN 826 HN -0.0038 0.0015 0.0038 2001 ASN 826 CA -0.0037 0.0007 0.0038 2002 ASN 826 C -0.0031 0.0004 0.0034 2003 ASN 826 O -0.0031 0.0001 0.0034 2004 ASN 826 CB -0.0039 0.0003 0.0040 2005 ASN 826 CG -0.0039 -0.0004 0.0041 2006 ASN 826 ND2 -0.0036 -0.0009 0.0039 2007 ASN 826 1HD2 -0.0036 -0.0014 0.0040 2008 ASN 826 2HD2 -0.0033 -0.0007 0.0037 2009 ASN 826 OD1 -0.0043 -0.0006 0.0044 2010 ASN 826 HA -0.0039 0.0006 0.0040 2011 ASN 826 HB1 -0.0042 0.0005 0.0042 2012 ASN 826 HB2 -0.0036 0.0003 0.0038 2013 TYR 827 N -0.0027 0.0005 0.0031 2014 TYR 827 HN -0.0028 0.0008 0.0031 2015 TYR 827 CA -0.0022 0.0004 0.0027 2016 TYR 827 C -0.0020 0.0006 0.0025 2017 TYR 827 O -0.0018 0.0003 0.0023 2018 TYR 827 CB -0.0018 0.0006 0.0024 2019 TYR 827 CG -0.0013 0.0004 0.0020 2020 TYR 827 CD1 -0.0011 -0.0002 0.0019 2021 TYR 827 CD2 -0.0009 0.0007 0.0017 2022 TYR 827 CE1 -0.0006 -0.0005 0.0015 2023 TYR 827 CE2 -0.0004 0.0005 0.0013 2024 TYR 827 CZ -0.0003 -0.0001 0.0012 2025 TYR 827 OH 0.0002 -0.0004 0.0009 2026 TYR 827 HH 0.0004 -0.0008 0.0008 2027 TYR 827 HA -0.0021 -0.0002 0.0027 2028 TYR 827 HB1 -0.0020 0.0005 0.0025 2029 TYR 827 HB2 -0.0019 0.0011 0.0023 2030 TYR 827 HD1 -0.0014 -0.0005 0.0021 2031 TYR 827 HD2 -0.0011 0.0012 0.0017 2032 TYR 827 HE1 -0.0005 -0.0010 0.0015 2033 TYR 827 HE2 -0.0002 0.0008 0.0010 2034 LEU 828 N -0.0024 0.0030 0.0018 2035 LEU 828 HN -0.0023 0.0029 0.0013 2036 LEU 828 CA -0.0030 0.0027 0.0019 2037 LEU 828 C -0.0031 0.0028 0.0023 2038 LEU 828 O -0.0034 0.0027 0.0027 2039 LEU 828 CB -0.0032 0.0024 0.0014 2040 LEU 828 CG -0.0033 0.0023 0.0012 2041 LEU 828 CD1 -0.0035 0.0020 0.0006 2042 LEU 828 CD2 -0.0037 0.0022 0.0016 2043 LEU 828 HA -0.0031 0.0027 0.0022 2044 LEU 828 HB1 -0.0030 0.0024 0.0011 2045 LEU 828 HB2 -0.0036 0.0022 0.0015 2046 LEU 828 HG -0.0030 0.0025 0.0011 2047 LEU 828 1HD1 -0.0035 0.0019 0.0004 2048 LEU 828 2HD1 -0.0039 0.0018 0.0007 2049 LEU 828 3HD1 -0.0032 0.0020 0.0003 2050 LEU 828 1HD2 -0.0038 0.0021 0.0014 2051 LEU 828 2HD2 -0.0036 0.0024 0.0020 2052 LEU 828 3HD2 -0.0041 0.0020 0.0016 2053 GLU 829 N -0.0028 0.0028 0.0021 2054 GLU 829 HN -0.0026 0.0029 0.0017 2055 GLU 829 CA -0.0029 0.0029 0.0023 2056 GLU 829 C -0.0027 0.0032 0.0029 2057 GLU 829 O -0.0030 0.0032 0.0033 2058 GLU 829 CB -0.0026 0.0029 0.0020 2059 GLU 829 CG -0.0027 0.0030 0.0022 2060 GLU 829 CD -0.0025 0.0030 0.0018 2061 GLU 829 OE1 -0.0022 0.0030 0.0014 2062 GLU 829 OE2 -0.0026 0.0030 0.0020 2063 GLU 829 HA -0.0033 0.0027 0.0024 2064 GLU 829 HB1 -0.0027 0.0027 0.0015 2065 GLU 829 HB2 -0.0022 0.0032 0.0019 2066 GLU 829 HG1 -0.0026 0.0032 0.0026 2067 GLU 829 HG2 -0.0031 0.0027 0.0022 2068 ASP 830 N -0.0010 0.0035 0.0103 2069 ASP 830 HN -0.0005 0.0029 0.0097 2070 ASP 830 CA -0.0003 0.0026 0.0107 2071 ASP 830 C -0.0008 0.0032 0.0096 2072 ASP 830 O -0.0008 0.0032 0.0103 2073 ASP 830 CB 0.0012 0.0010 0.0103 2074 ASP 830 CG 0.0019 0.0002 0.0118 2075 ASP 830 OD1 0.0015 0.0008 0.0135 2076 ASP 830 OD2 0.0030 -0.0010 0.0113 2077 ASP 830 HA -0.0003 0.0028 0.0123 2078 ASP 830 HB1 0.0012 0.0008 0.0089 2079 ASP 830 HB2 0.0016 0.0004 0.0103 2080 ARG 831 N -0.0014 0.0037 0.0078 2081 ARG 831 HN -0.0013 0.0037 0.0073 2082 ARG 831 CA -0.0020 0.0044 0.0067 2083 ARG 831 C -0.0034 0.0061 0.0069 2084 ARG 831 O -0.0041 0.0068 0.0059 2085 ARG 831 CB -0.0018 0.0040 0.0045 2086 ARG 831 CG -0.0004 0.0023 0.0041 2087 ARG 831 CD -0.0001 0.0019 0.0021 2088 ARG 831 NE -0.0006 0.0025 0.0018 2089 ARG 831 HE -0.0011 0.0030 0.0029 2090 ARG 831 CZ -0.0006 0.0023 0.0001 2091 ARG 831 NH1 -0.0011 0.0028 -0.0002 2092 ARG 831 1HH1 -0.0010 0.0027 -0.0014 2093 ARG 831 2HH1 -0.0015 0.0034 0.0010 2094 ARG 831 NH2 -0.0000 0.0015 -0.0014 2095 ARG 831 1HH2 0.0000 0.0014 -0.0026 2096 ARG 831 2HH2 0.0004 0.0011 -0.0012 2097 ARG 831 HA -0.0016 0.0040 0.0071 2098 ARG 831 HB1 -0.0021 0.0043 0.0041 2099 ARG 831 HB2 -0.0023 0.0046 0.0037 2100 ARG 831 HG1 0.0000 0.0019 0.0051 2101 ARG 831 HG2 0.0001 0.0018 0.0045 2102 ARG 831 HD1 0.0009 0.0007 0.0019 2103 ARG 831 HD2 -0.0006 0.0023 0.0010 2104 ARG 832 N 0.0009 0.0100 0.0131 2105 ARG 832 HN 0.0036 0.0104 0.0117 2106 ARG 832 CA -0.0036 0.0088 0.0136 2107 ARG 832 C -0.0073 0.0070 0.0108 2108 ARG 832 O -0.0114 0.0062 0.0121 2109 ARG 832 CB -0.0053 0.0095 0.0188 2110 ARG 832 CG -0.0022 0.0111 0.0215 2111 ARG 832 CD -0.0032 0.0120 0.0268 2112 ARG 832 NE 0.0009 0.0138 0.0292 2113 ARG 832 HE 0.0034 0.0140 0.0272 2114 ARG 832 CZ 0.0013 0.0150 0.0338 2115 ARG 832 NH1 -0.0021 0.0147 0.0366 2116 ARG 832 1HH1 -0.0051 0.0135 0.0352 2117 ARG 832 2HH1 -0.0018 0.0156 0.0402 2118 ARG 832 NH2 0.0051 0.0166 0.0357 2119 ARG 832 1HH2 0.0077 0.0168 0.0335 2120 ARG 832 2HH2 0.0054 0.0175 0.0392 2121 ARG 832 HA -0.0032 0.0085 0.0121 2122 ARG 832 HB1 -0.0055 0.0099 0.0205 2123 ARG 832 HB2 -0.0088 0.0085 0.0189 2124 ARG 832 HG1 -0.0028 0.0107 0.0206 2125 ARG 832 HG2 0.0014 0.0119 0.0206 2126 ARG 832 HD1 -0.0036 0.0121 0.0277 2127 ARG 832 HD2 -0.0063 0.0114 0.0279 2128 LEU 833 N -0.0058 0.0064 0.0066 2129 LEU 833 HN -0.0024 0.0072 0.0055 2130 LEU 833 CA -0.0089 0.0048 0.0035 2131 LEU 833 C -0.0095 0.0037 -0.0006 2132 LEU 833 O -0.0063 0.0039 -0.0036 2133 LEU 833 CB -0.0068 0.0050 0.0019 2134 LEU 833 CG -0.0103 0.0035 -0.0002 2135 LEU 833 CD1 -0.0086 0.0041 0.0001 2136 LEU 833 CD2 -0.0117 0.0019 -0.0052 2137 LEU 833 HA -0.0122 0.0043 0.0054 2138 LEU 833 HB1 -0.0054 0.0061 0.0049 2139 LEU 833 HB2 -0.0041 0.0052 -0.0008 2140 LEU 833 HG -0.0135 0.0031 0.0021 2141 LEU 833 1HD1 -0.0111 0.0030 -0.0014 2142 LEU 833 2HD1 -0.0053 0.0046 -0.0019 2143 LEU 833 3HD1 -0.0082 0.0051 0.0037 2144 LEU 833 1HD2 -0.0141 0.0010 -0.0063 2145 LEU 833 2HD2 -0.0132 0.0015 -0.0053 2146 LEU 833 3HD2 -0.0086 0.0023 -0.0076 2147 VAL 834 N -0.0043 0.0029 0.0008 2148 VAL 834 HN -0.0043 0.0031 0.0007 2149 VAL 834 CA -0.0038 0.0027 0.0010 2150 VAL 834 C -0.0039 0.0022 0.0013 2151 VAL 834 O -0.0041 0.0021 0.0014 2152 VAL 834 CB -0.0033 0.0028 0.0007 2153 VAL 834 CG1 -0.0028 0.0025 0.0009 2154 VAL 834 CG2 -0.0032 0.0033 0.0004 2155 VAL 834 HA -0.0037 0.0027 0.0010 2156 VAL 834 HB -0.0034 0.0029 0.0007 2157 VAL 834 1HG1 -0.0024 0.0026 0.0007 2158 VAL 834 2HG1 -0.0027 0.0025 0.0009 2159 VAL 834 3HG1 -0.0028 0.0022 0.0012 2160 VAL 834 1HG2 -0.0028 0.0034 0.0002 2161 VAL 834 2HG2 -0.0036 0.0035 0.0002 2162 VAL 834 3HG2 -0.0032 0.0032 0.0004 2163 HIS 835 N -0.0038 0.0019 0.0016 2164 HIS 835 HN -0.0036 0.0019 0.0015 2165 HIS 835 CA -0.0039 0.0014 0.0020 2166 HIS 835 C -0.0035 0.0012 0.0021 2167 HIS 835 O -0.0037 0.0011 0.0022 2168 HIS 835 CB -0.0039 0.0011 0.0022 2169 HIS 835 CG -0.0041 0.0007 0.0026 2170 HIS 835 CD2 -0.0045 0.0005 0.0028 2171 HIS 835 ND1 -0.0039 0.0004 0.0028 2172 HIS 835 HD1 -0.0036 0.0005 0.0027 2173 HIS 835 CE1 -0.0042 0.0001 0.0031 2174 HIS 835 NE2 -0.0046 0.0001 0.0032 2175 HIS 835 HE2 -0.0048 -0.0001 0.0034 2176 HIS 835 HA -0.0044 0.0014 0.0020 2177 HIS 835 HB1 -0.0042 0.0013 0.0021 2178 HIS 835 HB2 -0.0035 0.0011 0.0022 2179 HIS 835 HD2 -0.0048 0.0006 0.0028 2180 HIS 835 HE1 -0.0041 -0.0002 0.0034 2181 ARG 836 N -0.0017 0.0026 0.0033 2182 ARG 836 HN -0.0015 0.0028 0.0031 2183 ARG 836 CA -0.0009 0.0023 0.0034 2184 ARG 836 C -0.0006 0.0015 0.0041 2185 ARG 836 O 0.0002 0.0012 0.0041 2186 ARG 836 CB -0.0010 0.0024 0.0034 2187 ARG 836 CG -0.0011 0.0032 0.0027 2188 ARG 836 CD -0.0013 0.0033 0.0027 2189 ARG 836 NE -0.0004 0.0029 0.0028 2190 ARG 836 HE 0.0001 0.0027 0.0029 2191 ARG 836 CZ -0.0003 0.0029 0.0028 2192 ARG 836 NH1 -0.0009 0.0032 0.0026 2193 ARG 836 1HH1 -0.0009 0.0032 0.0026 2194 ARG 836 2HH1 -0.0015 0.0035 0.0025 2195 ARG 836 NH2 0.0005 0.0025 0.0029 2196 ARG 836 1HH2 0.0005 0.0025 0.0029 2197 ARG 836 2HH2 0.0010 0.0023 0.0031 2198 ARG 836 HA -0.0003 0.0025 0.0031 2199 ARG 836 HB1 -0.0017 0.0021 0.0037 2200 ARG 836 HB2 -0.0004 0.0021 0.0035 2201 ARG 836 HG1 -0.0005 0.0034 0.0024 2202 ARG 836 HG2 -0.0017 0.0035 0.0026 2203 ARG 836 HD1 -0.0014 0.0039 0.0022 2204 ARG 836 HD2 -0.0019 0.0030 0.0030 2205 ASP 837 N -0.0012 0.0011 0.0045 2206 ASP 837 HN -0.0018 0.0013 0.0044 2207 ASP 837 CA -0.0010 0.0003 0.0051 2208 ASP 837 C -0.0014 0.0001 0.0054 2209 ASP 837 O -0.0020 -0.0004 0.0059 2210 ASP 837 CB -0.0014 -0.0001 0.0055 2211 ASP 837 CG -0.0011 -0.0009 0.0061 2212 ASP 837 OD1 -0.0005 -0.0012 0.0062 2213 ASP 837 OD2 -0.0016 -0.0013 0.0065 2214 ASP 837 HA -0.0003 0.0001 0.0051 2215 ASP 837 HB1 -0.0012 0.0002 0.0053 2216 ASP 837 HB2 -0.0022 0.0000 0.0056 2217 LEU 838 N 0.0011 -0.0018 0.0035 2218 LEU 838 HN 0.0013 -0.0017 0.0031 2219 LEU 838 CA 0.0005 -0.0019 0.0039 2220 LEU 838 C 0.0007 -0.0020 0.0047 2221 LEU 838 O 0.0011 -0.0019 0.0047 2222 LEU 838 CB 0.0001 -0.0020 0.0035 2223 LEU 838 CG -0.0005 -0.0022 0.0038 2224 LEU 838 CD1 -0.0011 -0.0023 0.0039 2225 LEU 838 CD2 -0.0008 -0.0022 0.0034 2226 LEU 838 HA 0.0002 -0.0020 0.0040 2227 LEU 838 HB1 -0.0000 -0.0020 0.0030 2228 LEU 838 HB2 0.0005 -0.0019 0.0034 2229 LEU 838 HG -0.0004 -0.0022 0.0043 2230 LEU 838 1HD1 -0.0015 -0.0025 0.0041 2231 LEU 838 2HD1 -0.0013 -0.0023 0.0034 2232 LEU 838 3HD1 -0.0009 -0.0023 0.0042 2233 LEU 838 1HD2 -0.0013 -0.0023 0.0036 2234 LEU 838 2HD2 -0.0004 -0.0021 0.0033 2235 LEU 838 3HD2 -0.0009 -0.0022 0.0028 2236 ALA 839 N 0.0005 -0.0021 0.0052 2237 ALA 839 HN 0.0001 -0.0022 0.0051 2238 ALA 839 CA 0.0006 -0.0022 0.0059 2239 ALA 839 C 0.0000 -0.0024 0.0064 2240 ALA 839 O -0.0004 -0.0024 0.0061 2241 ALA 839 CB 0.0013 -0.0020 0.0062 2242 ALA 839 HA 0.0007 -0.0022 0.0060 2243 ALA 839 HB1 0.0014 -0.0021 0.0067 2244 ALA 839 HB2 0.0012 -0.0020 0.0062 2245 ALA 839 HB3 0.0017 -0.0019 0.0059 2246 ALA 840 N 0.0040 -0.0024 0.0069 2247 ALA 840 HN 0.0038 -0.0023 0.0070 2248 ALA 840 CA 0.0042 -0.0023 0.0068 2249 ALA 840 C 0.0044 -0.0021 0.0066 2250 ALA 840 O 0.0046 -0.0021 0.0065 2251 ALA 840 CB 0.0040 -0.0021 0.0067 2252 ALA 840 HA 0.0043 -0.0024 0.0069 2253 ALA 840 HB1 0.0041 -0.0020 0.0066 2254 ALA 840 HB2 0.0038 -0.0019 0.0067 2255 ALA 840 HB3 0.0038 -0.0022 0.0069 2256 ARG 841 N 0.0044 -0.0020 0.0065 2257 ARG 841 HN 0.0041 -0.0020 0.0066 2258 ARG 841 CA 0.0046 -0.0019 0.0064 2259 ARG 841 C 0.0048 -0.0021 0.0064 2260 ARG 841 O 0.0051 -0.0020 0.0063 2261 ARG 841 CB 0.0044 -0.0017 0.0063 2262 ARG 841 CG 0.0043 -0.0019 0.0065 2263 ARG 841 CD 0.0041 -0.0017 0.0064 2264 ARG 841 NE 0.0040 -0.0019 0.0066 2265 ARG 841 HE 0.0042 -0.0020 0.0066 2266 ARG 841 CZ 0.0038 -0.0020 0.0068 2267 ARG 841 NH1 0.0035 -0.0019 0.0068 2268 ARG 841 1HH1 0.0033 -0.0019 0.0069 2269 ARG 841 2HH1 0.0036 -0.0017 0.0067 2270 ARG 841 NH2 0.0037 -0.0022 0.0069 2271 ARG 841 1HH2 0.0035 -0.0022 0.0070 2272 ARG 841 2HH2 0.0039 -0.0022 0.0069 2273 ARG 841 HA 0.0047 -0.0017 0.0063 2274 ARG 841 HB1 0.0046 -0.0016 0.0062 2275 ARG 841 HB2 0.0042 -0.0016 0.0063 2276 ARG 841 HG1 0.0041 -0.0020 0.0066 2277 ARG 841 HG2 0.0045 -0.0020 0.0065 2278 ARG 841 HD1 0.0043 -0.0016 0.0063 2279 ARG 841 HD2 0.0040 -0.0016 0.0064 2280 ASN 842 N 0.0026 -0.0023 0.0061 2281 ASN 842 HN 0.0026 -0.0023 0.0063 2282 ASN 842 CA 0.0026 -0.0024 0.0060 2283 ASN 842 C 0.0027 -0.0028 0.0060 2284 ASN 842 O 0.0027 -0.0029 0.0060 2285 ASN 842 CB 0.0025 -0.0022 0.0061 2286 ASN 842 CG 0.0024 -0.0019 0.0059 2287 ASN 842 ND2 0.0023 -0.0017 0.0061 2288 ASN 842 1HD2 0.0024 -0.0017 0.0062 2289 ASN 842 2HD2 0.0023 -0.0015 0.0060 2290 ASN 842 OD1 0.0024 -0.0018 0.0057 2291 ASN 842 HA 0.0026 -0.0024 0.0057 2292 ASN 842 HB1 0.0025 -0.0022 0.0063 2293 ASN 842 HB2 0.0025 -0.0023 0.0060 2294 VAL 843 N 0.0028 -0.0029 0.0062 2295 VAL 843 HN 0.0027 -0.0028 0.0062 2296 VAL 843 CA 0.0029 -0.0033 0.0062 2297 VAL 843 C 0.0029 -0.0034 0.0059 2298 VAL 843 O 0.0029 -0.0033 0.0060 2299 VAL 843 CB 0.0029 -0.0034 0.0065 2300 VAL 843 CG1 0.0030 -0.0037 0.0065 2301 VAL 843 CG2 0.0029 -0.0032 0.0068 2302 VAL 843 HA 0.0029 -0.0033 0.0061 2303 VAL 843 HB 0.0029 -0.0033 0.0066 2304 VAL 843 1HG1 0.0030 -0.0038 0.0068 2305 VAL 843 2HG1 0.0030 -0.0038 0.0065 2306 VAL 843 3HG1 0.0030 -0.0038 0.0064 2307 VAL 843 1HG2 0.0029 -0.0033 0.0070 2308 VAL 843 2HG2 0.0028 -0.0030 0.0068 2309 VAL 843 3HG2 0.0029 -0.0033 0.0067 2310 LEU 844 N 0.0049 -0.0015 0.0088 2311 LEU 844 HN 0.0047 -0.0013 0.0082 2312 LEU 844 CA 0.0044 -0.0019 0.0093 2313 LEU 844 C 0.0037 -0.0023 0.0095 2314 LEU 844 O 0.0035 -0.0023 0.0091 2315 LEU 844 CB 0.0041 -0.0018 0.0088 2316 LEU 844 CG 0.0047 -0.0014 0.0084 2317 LEU 844 CD1 0.0042 -0.0014 0.0081 2318 LEU 844 CD2 0.0054 -0.0014 0.0091 2319 LEU 844 HA 0.0048 -0.0020 0.0098 2320 LEU 844 HB1 0.0036 -0.0018 0.0083 2321 LEU 844 HB2 0.0038 -0.0022 0.0092 2322 LEU 844 HG 0.0049 -0.0011 0.0080 2323 LEU 844 1HD1 0.0047 -0.0011 0.0078 2324 LEU 844 2HD1 0.0040 -0.0018 0.0085 2325 LEU 844 3HD1 0.0037 -0.0014 0.0076 2326 LEU 844 1HD2 0.0058 -0.0010 0.0088 2327 LEU 844 2HD2 0.0058 -0.0013 0.0093 2328 LEU 844 3HD2 0.0052 -0.0017 0.0096 2329 VAL 845 N 0.0034 -0.0028 0.0102 2330 VAL 845 HN 0.0036 -0.0028 0.0104 2331 VAL 845 CA 0.0028 -0.0032 0.0105 2332 VAL 845 C 0.0019 -0.0035 0.0103 2333 VAL 845 O 0.0018 -0.0036 0.0105 2334 VAL 845 CB 0.0030 -0.0035 0.0114 2335 VAL 845 CG1 0.0024 -0.0040 0.0118 2336 VAL 845 CG2 0.0039 -0.0032 0.0117 2337 VAL 845 HA 0.0027 -0.0031 0.0102 2338 VAL 845 HB 0.0030 -0.0037 0.0117 2339 VAL 845 1HG1 0.0026 -0.0042 0.0125 2340 VAL 845 2HG1 0.0024 -0.0039 0.0115 2341 VAL 845 3HG1 0.0018 -0.0042 0.0116 2342 VAL 845 1HG2 0.0041 -0.0035 0.0123 2343 VAL 845 2HG2 0.0043 -0.0029 0.0114 2344 VAL 845 3HG2 0.0039 -0.0031 0.0114 2345 LYS 846 N 0.0010 -0.0048 0.0116 2346 LYS 846 HN 0.0010 -0.0047 0.0106 2347 LYS 846 CA -0.0006 -0.0051 0.0115 2348 LYS 846 C -0.0021 -0.0056 0.0130 2349 LYS 846 O -0.0029 -0.0059 0.0138 2350 LYS 846 CB -0.0016 -0.0051 0.0095 2351 LYS 846 CG -0.0033 -0.0054 0.0091 2352 LYS 846 CD -0.0027 -0.0052 0.0088 2353 LYS 846 CE -0.0043 -0.0054 0.0079 2354 LYS 846 NZ -0.0059 -0.0059 0.0092 2355 LYS 846 HZ1 -0.0070 -0.0060 0.0087 2356 LYS 846 HZ2 -0.0055 -0.0060 0.0106 2357 LYS 846 HZ3 -0.0064 -0.0060 0.0096 2358 LYS 846 HA -0.0002 -0.0051 0.0117 2359 LYS 846 HB1 -0.0005 -0.0047 0.0084 2360 LYS 846 HB2 -0.0021 -0.0051 0.0093 2361 LYS 846 HG1 -0.0041 -0.0054 0.0079 2362 LYS 846 HG2 -0.0042 -0.0057 0.0104 2363 LYS 846 HD1 -0.0023 -0.0053 0.0101 2364 LYS 846 HD2 -0.0016 -0.0048 0.0078 2365 LYS 846 HE1 -0.0038 -0.0053 0.0077 2366 LYS 846 HE2 -0.0048 -0.0053 0.0066 2367 THR 847 N -0.0024 -0.0057 0.0134 2368 THR 847 HN -0.0017 -0.0055 0.0126 2369 THR 847 CA -0.0036 -0.0062 0.0149 2370 THR 847 C -0.0029 -0.0061 0.0153 2371 THR 847 O -0.0019 -0.0057 0.0141 2372 THR 847 CB -0.0057 -0.0065 0.0143 2373 THR 847 CG2 -0.0064 -0.0065 0.0130 2374 THR 847 OG1 -0.0070 -0.0069 0.0158 2375 THR 847 HG1 -0.0066 -0.0070 0.0167 2376 THR 847 HA -0.0034 -0.0063 0.0162 2377 THR 847 HB -0.0060 -0.0065 0.0136 2378 THR 847 1HG2 -0.0079 -0.0067 0.0126 2379 THR 847 2HG2 -0.0062 -0.0065 0.0137 2380 THR 847 3HG2 -0.0057 -0.0061 0.0117 2381 PRO 848 N -0.0005 -0.0055 0.0132 2382 PRO 848 CA -0.0002 -0.0056 0.0125 2383 PRO 848 C -0.0003 -0.0054 0.0113 2384 PRO 848 O 0.0002 -0.0058 0.0106 2385 PRO 848 CB -0.0007 -0.0052 0.0129 2386 PRO 848 CG -0.0009 -0.0053 0.0140 2387 PRO 848 CD -0.0009 -0.0052 0.0142 2388 PRO 848 HA 0.0004 -0.0062 0.0126 2389 PRO 848 HB1 -0.0013 -0.0047 0.0125 2390 PRO 848 HB2 -0.0004 -0.0055 0.0127 2391 PRO 848 HG1 -0.0014 -0.0048 0.0143 2392 PRO 848 HG2 -0.0004 -0.0057 0.0145 2393 PRO 848 HD1 -0.0016 -0.0047 0.0143 2394 PRO 848 HD2 -0.0006 -0.0056 0.0148 2395 GLN 849 N -0.0010 -0.0048 0.0110 2396 GLN 849 HN -0.0014 -0.0045 0.0116 2397 GLN 849 CA -0.0011 -0.0045 0.0099 2398 GLN 849 C -0.0010 -0.0046 0.0097 2399 GLN 849 O -0.0014 -0.0042 0.0090 2400 GLN 849 CB -0.0020 -0.0037 0.0098 2401 GLN 849 CG -0.0021 -0.0036 0.0099 2402 GLN 849 CD -0.0030 -0.0029 0.0097 2403 GLN 849 NE2 -0.0033 -0.0026 0.0102 2404 GLN 849 1HE2 -0.0030 -0.0030 0.0108 2405 GLN 849 2HE2 -0.0039 -0.0021 0.0101 2406 GLN 849 OE1 -0.0033 -0.0025 0.0089 2407 GLN 849 HA -0.0007 -0.0048 0.0094 2408 GLN 849 HB1 -0.0024 -0.0034 0.0103 2409 GLN 849 HB2 -0.0021 -0.0035 0.0090 2410 GLN 849 HG1 -0.0017 -0.0039 0.0093 2411 GLN 849 HG2 -0.0020 -0.0038 0.0107 2412 HIS 850 N -0.0026 -0.0054 0.0094 2413 HIS 850 HN -0.0022 -0.0056 0.0102 2414 HIS 850 CA -0.0025 -0.0051 0.0086 2415 HIS 850 C -0.0015 -0.0052 0.0087 2416 HIS 850 O -0.0014 -0.0055 0.0094 2417 HIS 850 CB -0.0035 -0.0051 0.0087 2418 HIS 850 CG -0.0036 -0.0048 0.0077 2419 HIS 850 CD2 -0.0032 -0.0046 0.0067 2420 HIS 850 ND1 -0.0043 -0.0048 0.0079 2421 HIS 850 HD1 -0.0048 -0.0050 0.0086 2422 HIS 850 CE1 -0.0043 -0.0046 0.0070 2423 HIS 850 NE2 -0.0036 -0.0044 0.0063 2424 HIS 850 HE2 -0.0034 -0.0042 0.0055 2425 HIS 850 HA -0.0025 -0.0049 0.0078 2426 HIS 850 HB1 -0.0043 -0.0051 0.0087 2427 HIS 850 HB2 -0.0034 -0.0053 0.0094 2428 HIS 850 HD2 -0.0026 -0.0045 0.0064 2429 HIS 850 HE1 -0.0047 -0.0045 0.0068 2430 VAL 851 N -0.0006 -0.0051 0.0080 2431 VAL 851 HN -0.0007 -0.0049 0.0074 2432 VAL 851 CA 0.0005 -0.0052 0.0080 2433 VAL 851 C 0.0006 -0.0049 0.0070 2434 VAL 851 O 0.0002 -0.0047 0.0062 2435 VAL 851 CB 0.0015 -0.0053 0.0082 2436 VAL 851 CG1 0.0014 -0.0056 0.0093 2437 VAL 851 CG2 0.0015 -0.0050 0.0073 2438 VAL 851 HA 0.0004 -0.0054 0.0087 2439 VAL 851 HB 0.0022 -0.0053 0.0081 2440 VAL 851 1HG1 0.0021 -0.0057 0.0094 2441 VAL 851 2HG1 0.0006 -0.0056 0.0094 2442 VAL 851 3HG1 0.0015 -0.0058 0.0099 2443 VAL 851 1HG2 0.0022 -0.0051 0.0074 2444 VAL 851 2HG2 0.0015 -0.0048 0.0065 2445 VAL 851 3HG2 0.0007 -0.0050 0.0073 2446 LYS 852 N -0.0007 -0.0023 0.0056 2447 LYS 852 HN -0.0006 -0.0021 0.0059 2448 LYS 852 CA -0.0005 -0.0024 0.0051 2449 LYS 852 C -0.0000 -0.0019 0.0050 2450 LYS 852 O 0.0003 -0.0016 0.0053 2451 LYS 852 CB -0.0004 -0.0024 0.0046 2452 LYS 852 CG -0.0008 -0.0029 0.0046 2453 LYS 852 CD -0.0007 -0.0030 0.0041 2454 LYS 852 CE -0.0012 -0.0035 0.0039 2455 LYS 852 NZ -0.0010 -0.0035 0.0035 2456 LYS 852 HZ1 -0.0013 -0.0038 0.0034 2457 LYS 852 HZ2 -0.0008 -0.0034 0.0031 2458 LYS 852 HZ3 -0.0009 -0.0033 0.0037 2459 LYS 852 HA -0.0007 -0.0026 0.0049 2460 LYS 852 HB1 -0.0002 -0.0022 0.0048 2461 LYS 852 HB2 -0.0002 -0.0024 0.0042 2462 LYS 852 HG1 -0.0011 -0.0031 0.0044 2463 LYS 852 HG2 -0.0010 -0.0029 0.0050 2464 LYS 852 HD1 -0.0005 -0.0028 0.0042 2465 LYS 852 HD2 -0.0005 -0.0029 0.0037 2466 LYS 852 HE1 -0.0013 -0.0037 0.0037 2467 LYS 852 HE2 -0.0014 -0.0035 0.0043 2468 ILE 853 N 0.0001 -0.0020 0.0047 2469 ILE 853 HN -0.0002 -0.0023 0.0046 2470 ILE 853 CA 0.0005 -0.0016 0.0046 2471 ILE 853 C 0.0009 -0.0015 0.0042 2472 ILE 853 O 0.0008 -0.0017 0.0037 2473 ILE 853 CB 0.0005 -0.0017 0.0044 2474 ILE 853 CG1 0.0001 -0.0018 0.0049 2475 ILE 853 CG2 0.0010 -0.0013 0.0043 2476 ILE 853 CD1 0.0000 -0.0021 0.0047 2477 ILE 853 HA 0.0006 -0.0013 0.0050 2478 ILE 853 HB 0.0004 -0.0020 0.0040 2479 ILE 853 1HG1 0.0003 -0.0016 0.0053 2480 ILE 853 2HG1 -0.0002 -0.0021 0.0050 2481 ILE 853 1HG2 0.0009 -0.0014 0.0041 2482 ILE 853 2HG2 0.0011 -0.0010 0.0047 2483 ILE 853 3HG2 0.0012 -0.0013 0.0039 2484 ILE 853 1HD1 -0.0002 -0.0021 0.0050 2485 ILE 853 2HD1 0.0003 -0.0018 0.0045 2486 ILE 853 3HD1 -0.0001 -0.0024 0.0043 2487 THR 854 N 0.0011 -0.0001 0.0028 2488 THR 854 HN 0.0011 -0.0002 0.0026 2489 THR 854 CA 0.0007 -0.0001 0.0029 2490 THR 854 C 0.0004 -0.0001 0.0030 2491 THR 854 O 0.0004 -0.0001 0.0029 2492 THR 854 CB 0.0007 -0.0003 0.0026 2493 THR 854 CG2 0.0005 -0.0005 0.0022 2494 THR 854 OG1 0.0004 -0.0003 0.0027 2495 THR 854 HG1 0.0005 -0.0002 0.0029 2496 THR 854 HA 0.0008 0.0000 0.0031 2497 THR 854 HB 0.0009 -0.0003 0.0025 2498 THR 854 1HG2 0.0004 -0.0006 0.0020 2499 THR 854 2HG2 0.0002 -0.0005 0.0023 2500 THR 854 3HG2 0.0007 -0.0005 0.0021 2501 ASP 855 N 0.0001 -0.0001 0.0031 2502 ASP 855 HN 0.0000 -0.0001 0.0031 2503 ASP 855 CA -0.0003 -0.0001 0.0032 2504 ASP 855 C -0.0003 0.0001 0.0035 2505 ASP 855 O -0.0006 0.0001 0.0036 2506 ASP 855 CB -0.0005 -0.0003 0.0029 2507 ASP 855 CG -0.0007 -0.0005 0.0026 2508 ASP 855 OD1 -0.0008 -0.0005 0.0027 2509 ASP 855 OD2 -0.0008 -0.0007 0.0023 2510 ASP 855 HA -0.0005 -0.0001 0.0033 2511 ASP 855 HB1 -0.0003 -0.0004 0.0027 2512 ASP 855 HB2 -0.0007 -0.0003 0.0030 2513 PHE 856 N -0.0034 0.0024 -0.0010 2514 PHE 856 HN -0.0032 0.0024 -0.0010 2515 PHE 856 CA -0.0035 0.0024 -0.0007 2516 PHE 856 C -0.0036 0.0023 -0.0005 2517 PHE 856 O -0.0035 0.0023 -0.0005 2518 PHE 856 CB -0.0032 0.0023 -0.0006 2519 PHE 856 CG -0.0030 0.0023 -0.0006 2520 PHE 856 CD1 -0.0029 0.0023 -0.0004 2521 PHE 856 CD2 -0.0028 0.0024 -0.0008 2522 PHE 856 CE1 -0.0027 0.0023 -0.0005 2523 PHE 856 CE2 -0.0026 0.0024 -0.0009 2524 PHE 856 CZ -0.0025 0.0023 -0.0007 2525 PHE 856 HA -0.0036 0.0024 -0.0007 2526 PHE 856 HB1 -0.0033 0.0023 -0.0003 2527 PHE 856 HB2 -0.0032 0.0023 -0.0006 2528 PHE 856 HD1 -0.0030 0.0022 -0.0003 2529 PHE 856 HD2 -0.0029 0.0024 -0.0009 2530 PHE 856 HE1 -0.0026 0.0023 -0.0004 2531 PHE 856 HE2 -0.0024 0.0024 -0.0010 2532 PHE 856 HZ -0.0023 0.0023 -0.0007 2533 GLY 857 N -0.0038 0.0023 -0.0004 2534 GLY 857 HN -0.0039 0.0023 -0.0004 2535 GLY 857 CA -0.0040 0.0023 -0.0002 2536 GLY 857 C -0.0041 0.0023 -0.0004 2537 GLY 857 O -0.0041 0.0023 -0.0003 2538 GLY 857 HA1 -0.0041 0.0022 -0.0001 2539 GLY 857 HA2 -0.0038 0.0022 -0.0001 2540 LEU 858 N -0.0027 -0.0008 0.0008 2541 LEU 858 HN -0.0026 -0.0010 0.0012 2542 LEU 858 CA -0.0029 -0.0006 0.0004 2543 LEU 858 C -0.0029 0.0001 0.0003 2544 LEU 858 O -0.0031 0.0005 -0.0001 2545 LEU 858 CB -0.0028 -0.0009 0.0006 2546 LEU 858 CG -0.0031 -0.0010 0.0000 2547 LEU 858 CD1 -0.0032 -0.0015 -0.0004 2548 LEU 858 CD2 -0.0029 -0.0012 0.0003 2549 LEU 858 HA -0.0031 -0.0008 -0.0001 2550 LEU 858 HB1 -0.0028 -0.0014 0.0008 2551 LEU 858 HB2 -0.0027 -0.0006 0.0009 2552 LEU 858 HG -0.0031 -0.0005 -0.0002 2553 LEU 858 1HD1 -0.0034 -0.0015 -0.0008 2554 LEU 858 2HD1 -0.0032 -0.0020 -0.0002 2555 LEU 858 3HD1 -0.0033 -0.0013 -0.0006 2556 LEU 858 1HD2 -0.0031 -0.0012 -0.0001 2557 LEU 858 2HD2 -0.0028 -0.0008 0.0006 2558 LEU 858 3HD2 -0.0029 -0.0016 0.0006 2559 ALA 859 N -0.0027 0.0005 0.0008 2560 ALA 859 HN -0.0026 0.0002 0.0012 2561 ALA 859 CA -0.0027 0.0012 0.0008 2562 ALA 859 C -0.0028 0.0014 0.0004 2563 ALA 859 O -0.0029 0.0020 0.0004 2564 ALA 859 CB -0.0024 0.0013 0.0015 2565 ALA 859 HA -0.0028 0.0014 0.0006 2566 ALA 859 HB1 -0.0024 0.0019 0.0015 2567 ALA 859 HB2 -0.0024 0.0011 0.0017 2568 ALA 859 HB3 -0.0023 0.0012 0.0017 2569 LYS 860 N -0.0043 0.0005 -0.0026 2570 LYS 860 HN -0.0041 0.0003 -0.0026 2571 LYS 860 CA -0.0045 0.0008 -0.0026 2572 LYS 860 C -0.0049 0.0007 -0.0029 2573 LYS 860 O -0.0052 0.0010 -0.0030 2574 LYS 860 CB -0.0043 0.0006 -0.0025 2575 LYS 860 CG -0.0039 0.0007 -0.0021 2576 LYS 860 CD -0.0037 0.0006 -0.0020 2577 LYS 860 CE -0.0034 0.0007 -0.0016 2578 LYS 860 NZ -0.0032 0.0005 -0.0015 2579 LYS 860 HZ1 -0.0030 0.0006 -0.0012 2580 LYS 860 HZ2 -0.0034 0.0006 -0.0016 2581 LYS 860 HZ3 -0.0031 0.0002 -0.0017 2582 LYS 860 HA -0.0046 0.0011 -0.0024 2583 LYS 860 HB1 -0.0042 0.0003 -0.0026 2584 LYS 860 HB2 -0.0045 0.0008 -0.0025 2585 LYS 860 HG1 -0.0040 0.0010 -0.0019 2586 LYS 860 HG2 -0.0038 0.0006 -0.0020 2587 LYS 860 HD1 -0.0036 0.0002 -0.0021 2588 LYS 860 HD2 -0.0039 0.0007 -0.0020 2589 LYS 860 HE1 -0.0035 0.0010 -0.0014 2590 LYS 860 HE2 -0.0032 0.0005 -0.0015 2591 LEU 861 N -0.0049 0.0004 -0.0032 2592 LEU 861 HN -0.0047 0.0002 -0.0032 2593 LEU 861 CA -0.0053 0.0004 -0.0036 2594 LEU 861 C -0.0055 0.0006 -0.0036 2595 LEU 861 O -0.0058 0.0008 -0.0038 2596 LEU 861 CB -0.0052 -0.0001 -0.0039 2597 LEU 861 CG -0.0050 -0.0003 -0.0039 2598 LEU 861 CD1 -0.0049 -0.0008 -0.0041 2599 LEU 861 CD2 -0.0053 -0.0001 -0.0039 2600 LEU 861 HA -0.0055 0.0005 -0.0036 2601 LEU 861 HB1 -0.0050 -0.0002 -0.0038 2602 LEU 861 HB2 -0.0055 -0.0001 -0.0041 2603 LEU 861 HG -0.0048 -0.0003 -0.0036 2604 LEU 861 1HD1 -0.0048 -0.0009 -0.0041 2605 LEU 861 2HD1 -0.0052 -0.0008 -0.0044 2606 LEU 861 3HD1 -0.0047 -0.0009 -0.0040 2607 LEU 861 1HD2 -0.0052 -0.0003 -0.0039 2608 LEU 861 2HD2 -0.0054 0.0002 -0.0037 2609 LEU 861 3HD2 -0.0056 -0.0001 -0.0042 2610 LEU 862 N -0.0030 -0.0014 -0.0014 2611 LEU 862 HN -0.0027 -0.0020 -0.0007 2612 LEU 862 CA -0.0029 -0.0006 -0.0012 2613 LEU 862 C -0.0023 0.0005 -0.0003 2614 LEU 862 O -0.0025 0.0017 -0.0006 2615 LEU 862 CB -0.0027 -0.0015 -0.0008 2616 LEU 862 CG -0.0033 -0.0020 -0.0018 2617 LEU 862 CD1 -0.0039 -0.0024 -0.0029 2618 LEU 862 CD2 -0.0032 -0.0032 -0.0016 2619 LEU 862 HA -0.0033 -0.0001 -0.0020 2620 LEU 862 HB1 -0.0025 -0.0024 -0.0003 2621 LEU 862 HB2 -0.0023 -0.0009 -0.0002 2622 LEU 862 HG -0.0034 -0.0012 -0.0021 2623 LEU 862 1HD1 -0.0043 -0.0027 -0.0036 2624 LEU 862 2HD1 -0.0038 -0.0031 -0.0027 2625 LEU 862 3HD1 -0.0040 -0.0015 -0.0032 2626 LEU 862 1HD2 -0.0037 -0.0034 -0.0025 2627 LEU 862 2HD2 -0.0028 -0.0030 -0.0010 2628 LEU 862 3HD2 -0.0031 -0.0041 -0.0014 2629 GLY 863 N -0.0017 0.0002 0.0008 2630 GLY 863 HN -0.0016 -0.0008 0.0011 2631 GLY 863 CA -0.0012 0.0011 0.0017 2632 GLY 863 C -0.0008 0.0016 0.0024 2633 GLY 863 O -0.0006 0.0028 0.0026 2634 GLY 863 HA1 -0.0009 0.0006 0.0023 2635 GLY 863 HA2 -0.0014 0.0020 0.0012 2636 ALA 864 N 0.0049 -0.0005 0.0104 2637 ALA 864 HN 0.0046 -0.0001 0.0106 2638 ALA 864 CA 0.0052 -0.0011 0.0102 2639 ALA 864 C 0.0056 -0.0012 0.0094 2640 ALA 864 O 0.0056 -0.0007 0.0090 2641 ALA 864 CB 0.0052 -0.0011 0.0102 2642 ALA 864 HA 0.0052 -0.0016 0.0105 2643 ALA 864 HB1 0.0054 -0.0016 0.0100 2644 ALA 864 HB2 0.0052 -0.0006 0.0099 2645 ALA 864 HB3 0.0049 -0.0011 0.0108 2646 GLU 865 N 0.0059 -0.0019 0.0093 2647 GLU 865 HN 0.0059 -0.0023 0.0097 2648 GLU 865 CA 0.0063 -0.0021 0.0088 2649 GLU 865 C 0.0067 -0.0024 0.0082 2650 GLU 865 O 0.0069 -0.0030 0.0083 2651 GLU 865 CB 0.0064 -0.0028 0.0090 2652 GLU 865 CG 0.0062 -0.0027 0.0094 2653 GLU 865 CD 0.0065 -0.0034 0.0093 2654 GLU 865 OE1 0.0069 -0.0039 0.0090 2655 GLU 865 OE2 0.0064 -0.0034 0.0096 2656 GLU 865 HA 0.0062 -0.0017 0.0085 2657 GLU 865 HB1 0.0064 -0.0032 0.0094 2658 GLU 865 HB2 0.0068 -0.0031 0.0086 2659 GLU 865 HG1 0.0062 -0.0023 0.0091 2660 GLU 865 HG2 0.0059 -0.0027 0.0099 2661 GLU 866 N 0.0053 -0.0018 0.0117 2662 GLU 866 HN 0.0052 -0.0014 0.0117 2663 GLU 866 CA 0.0048 -0.0014 0.0097 2664 GLU 866 C 0.0049 -0.0030 0.0087 2665 GLU 866 O 0.0046 -0.0025 0.0076 2666 GLU 866 CB 0.0045 -0.0010 0.0080 2667 GLU 866 CG 0.0043 0.0010 0.0085 2668 GLU 866 CD 0.0046 0.0008 0.0099 2669 GLU 866 OE1 0.0050 0.0005 0.0119 2670 GLU 866 OE2 0.0044 0.0011 0.0090 2671 GLU 866 HA 0.0047 0.0001 0.0099 2672 GLU 866 HB1 0.0047 -0.0024 0.0079 2673 GLU 866 HB2 0.0041 -0.0009 0.0064 2674 GLU 866 HG1 0.0039 0.0018 0.0070 2675 GLU 866 HG2 0.0043 0.0021 0.0094 2676 LYS 867 N 0.0053 -0.0050 0.0092 2677 LYS 867 HN 0.0055 -0.0054 0.0101 2678 LYS 867 CA 0.0054 -0.0068 0.0085 2679 LYS 867 C 0.0056 -0.0068 0.0096 2680 LYS 867 O 0.0060 -0.0064 0.0116 2681 LYS 867 CB 0.0059 -0.0089 0.0092 2682 LYS 867 CG 0.0061 -0.0111 0.0086 2683 LYS 867 CD 0.0057 -0.0115 0.0062 2684 LYS 867 CE 0.0058 -0.0133 0.0054 2685 LYS 867 NZ 0.0057 -0.0126 0.0056 2686 LYS 867 HZ1 0.0058 -0.0138 0.0050 2687 LYS 867 HZ2 0.0054 -0.0112 0.0048 2688 LYS 867 HZ3 0.0059 -0.0120 0.0071 2689 LYS 867 HA 0.0051 -0.0068 0.0068 2690 LYS 867 HB1 0.0057 -0.0089 0.0085 2691 LYS 867 HB2 0.0062 -0.0088 0.0110 2692 LYS 867 HG1 0.0064 -0.0124 0.0095 2693 LYS 867 HG2 0.0061 -0.0110 0.0090 2694 LYS 867 HD1 0.0053 -0.0100 0.0053 2695 LYS 867 HD2 0.0057 -0.0119 0.0059 2696 LYS 867 HE1 0.0055 -0.0138 0.0037 2697 LYS 867 HE2 0.0062 -0.0148 0.0064 2698 GLU 868 N 0.0029 -0.0084 0.0136 2699 GLU 868 HN 0.0022 -0.0086 0.0141 2700 GLU 868 CA 0.0030 -0.0072 0.0129 2701 GLU 868 C 0.0032 -0.0068 0.0126 2702 GLU 868 O 0.0026 -0.0069 0.0129 2703 GLU 868 CB 0.0019 -0.0066 0.0131 2704 GLU 868 CG 0.0020 -0.0054 0.0124 2705 GLU 868 CD 0.0008 -0.0048 0.0126 2706 GLU 868 OE1 0.0008 -0.0039 0.0121 2707 GLU 868 OE2 0.0000 -0.0054 0.0132 2708 GLU 868 HA 0.0037 -0.0072 0.0126 2709 GLU 868 HB1 0.0018 -0.0070 0.0134 2710 GLU 868 HB2 0.0012 -0.0066 0.0134 2711 GLU 868 HG1 0.0021 -0.0050 0.0121 2712 GLU 868 HG2 0.0027 -0.0054 0.0121 2713 TYR 869 N 0.0041 -0.0062 0.0119 2714 TYR 869 HN 0.0046 -0.0062 0.0117 2715 TYR 869 CA 0.0044 -0.0057 0.0114 2716 TYR 869 C 0.0048 -0.0047 0.0107 2717 TYR 869 O 0.0051 -0.0045 0.0105 2718 TYR 869 CB 0.0054 -0.0064 0.0114 2719 TYR 869 CG 0.0050 -0.0074 0.0121 2720 TYR 869 CD1 0.0043 -0.0072 0.0123 2721 TYR 869 CD2 0.0055 -0.0084 0.0125 2722 TYR 869 CE1 0.0039 -0.0080 0.0130 2723 TYR 869 CE2 0.0051 -0.0093 0.0132 2724 TYR 869 CZ 0.0043 -0.0091 0.0134 2725 TYR 869 OH 0.0040 -0.0100 0.0141 2726 TYR 869 HH 0.0043 -0.0107 0.0143 2727 TYR 869 HA 0.0037 -0.0055 0.0116 2728 TYR 869 HB1 0.0061 -0.0068 0.0113 2729 TYR 869 HB2 0.0058 -0.0060 0.0110 2730 TYR 869 HD1 0.0039 -0.0063 0.0120 2731 TYR 869 HD2 0.0060 -0.0086 0.0123 2732 TYR 869 HE1 0.0033 -0.0079 0.0132 2733 TYR 869 HE2 0.0055 -0.0101 0.0135 2734 HIS 870 N 0.0158 0.0147 0.0160 2735 HIS 870 HN 0.0125 0.0270 0.0166 2736 HIS 870 CA 0.0125 0.0072 0.0061 2737 HIS 870 C 0.0079 -0.0031 -0.0078 2738 HIS 870 O 0.0078 -0.0146 -0.0142 2739 HIS 870 CB 0.0058 0.0207 0.0012 2740 HIS 870 CG -0.0029 0.0315 -0.0086 2741 HIS 870 CD2 -0.0112 0.0313 -0.0237 2742 HIS 870 ND1 -0.0030 0.0433 -0.0025 2743 HIS 870 HD1 0.0023 0.0462 0.0085 2744 HIS 870 CE1 -0.0113 0.0501 -0.0139 2745 HIS 870 NE2 -0.0165 0.0432 -0.0269 2746 HIS 870 HE2 -0.0232 0.0463 -0.0372 2747 HIS 870 HA 0.0183 -0.0006 0.0123 2748 HIS 870 HB1 0.0042 0.0146 -0.0049 2749 HIS 870 HB2 0.0090 0.0283 0.0111 2750 HIS 870 HD2 -0.0131 0.0232 -0.0316 2751 HIS 870 HE1 -0.0137 0.0601 -0.0129 2752 ALA 871 N 0.0040 0.0008 -0.0128 2753 ALA 871 HN 0.0043 0.0103 -0.0070 2754 ALA 871 CA -0.0008 -0.0078 -0.0259 2755 ALA 871 C -0.0010 -0.0038 -0.0241 2756 ALA 871 O 0.0017 0.0065 -0.0138 2757 ALA 871 CB -0.0104 -0.0019 -0.0402 2758 ALA 871 HA 0.0029 -0.0209 -0.0264 2759 ALA 871 HB1 -0.0138 -0.0086 -0.0500 2760 ALA 871 HB2 -0.0141 0.0111 -0.0398 2761 ALA 871 HB3 -0.0102 -0.0042 -0.0409 2762 GLU 872 N 0.0072 0.0016 -0.0041 2763 GLU 872 HN 0.0077 0.0005 -0.0063 2764 GLU 872 CA 0.0078 0.0006 -0.0034 2765 GLU 872 C 0.0087 -0.0008 0.0004 2766 GLU 872 O 0.0078 0.0008 0.0029 2767 GLU 872 CB 0.0062 0.0032 -0.0043 2768 GLU 872 CG 0.0055 0.0042 -0.0085 2769 GLU 872 CD 0.0040 0.0067 -0.0094 2770 GLU 872 OE1 0.0034 0.0078 -0.0069 2771 GLU 872 OE2 0.0034 0.0075 -0.0128 2772 GLU 872 HA 0.0089 -0.0013 -0.0054 2773 GLU 872 HB1 0.0050 0.0053 -0.0026 2774 GLU 872 HB2 0.0067 0.0023 -0.0037 2775 GLU 872 HG1 0.0067 0.0021 -0.0102 2776 GLU 872 HG2 0.0048 0.0053 -0.0090 2777 GLY 873 N 0.0105 -0.0038 0.0011 2778 GLY 873 HN 0.0113 -0.0052 -0.0010 2779 GLY 873 CA 0.0114 -0.0051 0.0049 2780 GLY 873 C 0.0111 -0.0045 0.0073 2781 GLY 873 O 0.0118 -0.0055 0.0106 2782 GLY 873 HA1 0.0129 -0.0077 0.0046 2783 GLY 873 HA2 0.0108 -0.0041 0.0062 2784 GLY 874 N 0.0138 -0.0065 0.0117 2785 GLY 874 HN 0.0152 -0.0061 0.0118 2786 GLY 874 CA 0.0118 -0.0052 0.0112 2787 GLY 874 C 0.0097 -0.0052 0.0110 2788 GLY 874 O 0.0084 -0.0068 0.0110 2789 GLY 874 HA1 0.0112 -0.0058 0.0112 2790 GLY 874 HA2 0.0124 -0.0034 0.0111 2791 LYS 875 N 0.0093 -0.0033 0.0107 2792 LYS 875 HN 0.0102 -0.0018 0.0106 2793 LYS 875 CA 0.0077 -0.0034 0.0105 2794 LYS 875 C 0.0087 -0.0044 0.0107 2795 LYS 875 O 0.0105 -0.0037 0.0109 2796 LYS 875 CB 0.0070 -0.0009 0.0101 2797 LYS 875 CG 0.0052 -0.0009 0.0098 2798 LYS 875 CD 0.0045 0.0016 0.0095 2799 LYS 875 CE 0.0028 0.0017 0.0092 2800 LYS 875 NZ 0.0022 0.0041 0.0088 2801 LYS 875 HZ1 0.0010 0.0043 0.0087 2802 LYS 875 HZ2 0.0036 0.0051 0.0089 2803 LYS 875 HZ3 0.0018 0.0049 0.0087 2804 LYS 875 HA 0.0062 -0.0043 0.0104 2805 LYS 875 HB1 0.0064 -0.0001 0.0099 2806 LYS 875 HB2 0.0085 -0.0000 0.0102 2807 LYS 875 HG1 0.0059 -0.0016 0.0100 2808 LYS 875 HG2 0.0037 -0.0019 0.0098 2809 LYS 875 HD1 0.0039 0.0023 0.0093 2810 LYS 875 HD2 0.0060 0.0025 0.0095 2811 LYS 875 HE1 0.0034 0.0010 0.0094 2812 LYS 875 HE2 0.0012 0.0008 0.0091 2813 VAL 876 N 0.0052 -0.0029 0.0103 2814 VAL 876 HN 0.0053 -0.0033 0.0097 2815 VAL 876 CA 0.0049 -0.0023 0.0102 2816 VAL 876 C 0.0044 -0.0018 0.0095 2817 VAL 876 O 0.0044 -0.0021 0.0087 2818 VAL 876 CB 0.0050 -0.0027 0.0098 2819 VAL 876 CG1 0.0047 -0.0022 0.0098 2820 VAL 876 CG2 0.0055 -0.0034 0.0104 2821 VAL 876 HA 0.0048 -0.0020 0.0108 2822 VAL 876 HB 0.0050 -0.0030 0.0091 2823 VAL 876 1HG1 0.0048 -0.0025 0.0095 2824 VAL 876 2HG1 0.0047 -0.0019 0.0105 2825 VAL 876 3HG1 0.0043 -0.0017 0.0093 2826 VAL 876 1HG2 0.0057 -0.0037 0.0102 2827 VAL 876 2HG2 0.0058 -0.0038 0.0104 2828 VAL 876 3HG2 0.0055 -0.0031 0.0111 2829 PRO 877 N 0.0041 -0.0010 0.0098 2830 PRO 877 CA 0.0037 -0.0004 0.0092 2831 PRO 877 C 0.0036 -0.0007 0.0082 2832 PRO 877 O 0.0032 -0.0002 0.0076 2833 PRO 877 CB 0.0033 0.0003 0.0094 2834 PRO 877 CG 0.0035 0.0003 0.0104 2835 PRO 877 CD 0.0040 -0.0006 0.0106 2836 PRO 877 HA 0.0036 -0.0003 0.0095 2837 PRO 877 HB1 0.0032 0.0003 0.0089 2838 PRO 877 HB2 0.0030 0.0009 0.0093 2839 PRO 877 HG1 0.0034 0.0005 0.0104 2840 PRO 877 HG2 0.0034 0.0007 0.0108 2841 PRO 877 HD1 0.0042 -0.0009 0.0107 2842 PRO 877 HD2 0.0042 -0.0006 0.0112 2843 ILE 878 N 0.0042 -0.0007 0.0079 2844 ILE 878 HN 0.0040 -0.0000 0.0071 2845 ILE 878 CA 0.0016 -0.0022 0.0081 2846 ILE 878 C 0.0012 -0.0013 0.0070 2847 ILE 878 O 0.0003 -0.0025 0.0079 2848 ILE 878 CB -0.0010 -0.0024 0.0070 2849 ILE 878 CG1 -0.0008 -0.0035 0.0083 2850 ILE 878 CG2 -0.0039 -0.0038 0.0070 2851 ILE 878 CD1 -0.0008 -0.0058 0.0108 2852 ILE 878 HA 0.0018 -0.0038 0.0100 2853 ILE 878 HB -0.0011 -0.0008 0.0052 2854 ILE 878 1HG1 0.0012 -0.0024 0.0082 2855 ILE 878 2HG1 -0.0026 -0.0034 0.0072 2856 ILE 878 1HG2 -0.0057 -0.0039 0.0061 2857 ILE 878 2HG2 -0.0039 -0.0054 0.0088 2858 ILE 878 3HG2 -0.0041 -0.0030 0.0059 2859 ILE 878 1HD1 -0.0007 -0.0064 0.0116 2860 ILE 878 2HD1 0.0010 -0.0059 0.0119 2861 ILE 878 3HD1 -0.0028 -0.0069 0.0109 2862 LYS 879 N 0.0019 0.0009 0.0050 2863 LYS 879 HN 0.0028 0.0017 0.0045 2864 LYS 879 CA 0.0017 0.0021 0.0035 2865 LYS 879 C 0.0041 0.0024 0.0045 2866 LYS 879 O 0.0039 0.0032 0.0036 2867 LYS 879 CB 0.0017 0.0044 0.0010 2868 LYS 879 CG -0.0009 0.0042 -0.0002 2869 LYS 879 CD -0.0012 0.0065 -0.0028 2870 LYS 879 CE -0.0040 0.0063 -0.0042 2871 LYS 879 NZ -0.0043 0.0085 -0.0067 2872 LYS 879 HZ1 -0.0061 0.0085 -0.0077 2873 LYS 879 HZ2 -0.0040 0.0094 -0.0075 2874 LYS 879 HZ3 -0.0025 0.0096 -0.0069 2875 LYS 879 HA -0.0004 0.0012 0.0034 2876 LYS 879 HB1 0.0037 0.0052 0.0012 2877 LYS 879 HB2 0.0017 0.0054 -0.0001 2878 LYS 879 HG1 -0.0029 0.0032 -0.0002 2879 LYS 879 HG2 -0.0008 0.0034 0.0008 2880 LYS 879 HD1 0.0006 0.0073 -0.0028 2881 LYS 879 HD2 -0.0010 0.0074 -0.0037 2882 LYS 879 HE1 -0.0058 0.0053 -0.0041 2883 LYS 879 HE2 -0.0041 0.0055 -0.0034 2884 TRP 880 N 0.0023 0.0019 0.0051 2885 TRP 880 HN 0.0025 0.0022 0.0047 2886 TRP 880 CA 0.0025 0.0010 0.0052 2887 TRP 880 C 0.0024 0.0005 0.0054 2888 TRP 880 O 0.0024 -0.0002 0.0057 2889 TRP 880 CB 0.0031 0.0007 0.0045 2890 TRP 880 CG 0.0032 0.0009 0.0043 2891 TRP 880 CD1 0.0033 0.0003 0.0044 2892 TRP 880 CD2 0.0032 0.0017 0.0040 2893 TRP 880 CE2 0.0033 0.0015 0.0039 2894 TRP 880 CE3 0.0031 0.0025 0.0038 2895 TRP 880 NE1 0.0033 0.0007 0.0042 2896 TRP 880 HE1 0.0034 0.0004 0.0042 2897 TRP 880 CZ2 0.0033 0.0022 0.0037 2898 TRP 880 CZ3 0.0031 0.0031 0.0035 2899 TRP 880 CH2 0.0032 0.0030 0.0035 2900 TRP 880 HA 0.0023 0.0008 0.0056 2901 TRP 880 HB1 0.0033 0.0011 0.0040 2902 TRP 880 HB2 0.0033 0.0001 0.0045 2903 TRP 880 HD1 0.0033 -0.0004 0.0046 2904 TRP 880 HE3 0.0031 0.0026 0.0038 2905 TRP 880 HZ2 0.0033 0.0020 0.0037 2906 TRP 880 HZ3 0.0031 0.0038 0.0034 2907 TRP 880 HH2 0.0032 0.0035 0.0033 2908 MET 881 N 0.0024 0.0010 0.0053 2909 MET 881 HN 0.0024 0.0016 0.0051 2910 MET 881 CA 0.0023 0.0006 0.0055 2911 MET 881 C 0.0018 0.0004 0.0063 2912 MET 881 O 0.0014 0.0009 0.0068 2913 MET 881 CB 0.0024 0.0012 0.0052 2914 MET 881 CG 0.0030 0.0011 0.0044 2915 MET 881 SD 0.0031 0.0020 0.0040 2916 MET 881 CE 0.0027 0.0019 0.0046 2917 MET 881 HA 0.0027 0.0000 0.0053 2918 MET 881 HB1 0.0023 0.0019 0.0052 2919 MET 881 HB2 0.0022 0.0011 0.0055 2920 MET 881 HG1 0.0032 0.0005 0.0045 2921 MET 881 HG2 0.0033 0.0010 0.0041 2922 MET 881 HE1 0.0026 0.0024 0.0045 2923 MET 881 HE2 0.0028 0.0013 0.0047 2924 MET 881 HE3 0.0023 0.0020 0.0051 2925 ALA 882 N -0.0009 0.0063 -0.0024 2926 ALA 882 HN -0.0010 0.0059 -0.0030 2927 ALA 882 CA -0.0008 0.0065 -0.0014 2928 ALA 882 C -0.0008 0.0077 -0.0012 2929 ALA 882 O -0.0009 0.0084 -0.0019 2930 ALA 882 CB -0.0008 0.0059 -0.0015 2931 ALA 882 HA -0.0008 0.0061 -0.0007 2932 ALA 882 HB1 -0.0008 0.0060 -0.0008 2933 ALA 882 HB2 -0.0009 0.0061 -0.0023 2934 ALA 882 HB3 -0.0008 0.0050 -0.0016 2935 LEU 883 N -0.0007 0.0080 -0.0002 2936 LEU 883 HN -0.0007 0.0074 0.0004 2937 LEU 883 CA -0.0007 0.0092 0.0001 2938 LEU 883 C -0.0008 0.0098 -0.0005 2939 LEU 883 O -0.0008 0.0107 -0.0008 2940 LEU 883 CB -0.0006 0.0093 0.0013 2941 LEU 883 CG -0.0006 0.0104 0.0018 2942 LEU 883 CD1 -0.0006 0.0110 0.0014 2943 LEU 883 CD2 -0.0005 0.0104 0.0030 2944 LEU 883 HA -0.0007 0.0096 -0.0001 2945 LEU 883 HB1 -0.0006 0.0087 0.0017 2946 LEU 883 HB2 -0.0006 0.0090 0.0016 2947 LEU 883 HG -0.0006 0.0109 0.0015 2948 LEU 883 1HD1 -0.0006 0.0119 0.0018 2949 LEU 883 2HD1 -0.0006 0.0106 0.0017 2950 LEU 883 3HD1 -0.0007 0.0111 0.0005 2951 LEU 883 1HD2 -0.0004 0.0112 0.0034 2952 LEU 883 2HD2 -0.0004 0.0100 0.0033 2953 LEU 883 3HD2 -0.0004 0.0099 0.0033 2954 GLU 884 N 0.0038 0.0059 -0.0036 2955 GLU 884 HN 0.0026 0.0061 -0.0036 2956 GLU 884 CA 0.0041 0.0061 -0.0049 2957 GLU 884 C 0.0043 0.0059 -0.0041 2958 GLU 884 O 0.0054 0.0058 -0.0048 2959 GLU 884 CB 0.0024 0.0065 -0.0062 2960 GLU 884 CG 0.0005 0.0067 -0.0051 2961 GLU 884 CD -0.0012 0.0071 -0.0062 2962 GLU 884 OE1 -0.0017 0.0074 -0.0074 2963 GLU 884 OE2 -0.0021 0.0072 -0.0057 2964 GLU 884 HA 0.0053 0.0060 -0.0057 2965 GLU 884 HB1 0.0025 0.0066 -0.0071 2966 GLU 884 HB2 0.0023 0.0066 -0.0069 2967 GLU 884 HG1 0.0005 0.0065 -0.0040 2968 GLU 884 HG2 0.0005 0.0066 -0.0046 2969 SER 885 N 0.0033 0.0058 -0.0026 2970 SER 885 HN 0.0025 0.0059 -0.0020 2971 SER 885 CA 0.0033 0.0057 -0.0017 2972 SER 885 C 0.0050 0.0053 -0.0005 2973 SER 885 O 0.0058 0.0051 -0.0004 2974 SER 885 CB 0.0015 0.0058 -0.0006 2975 SER 885 OG 0.0011 0.0057 0.0008 2976 SER 885 HG 0.0000 0.0058 0.0014 2977 SER 885 HA 0.0035 0.0058 -0.0028 2978 SER 885 HB1 0.0016 0.0057 -0.0000 2979 SER 885 HB2 0.0004 0.0062 -0.0016 2980 ILE 886 N 0.0001 0.0040 0.0001 2981 ILE 886 HN -0.0008 0.0039 0.0004 2982 ILE 886 CA 0.0024 0.0039 0.0016 2983 ILE 886 C 0.0048 0.0046 -0.0001 2984 ILE 886 O 0.0063 0.0047 0.0003 2985 ILE 886 CB 0.0031 0.0035 0.0036 2986 ILE 886 CG1 0.0007 0.0027 0.0053 2987 ILE 886 CG2 0.0054 0.0033 0.0053 2988 ILE 886 CD1 0.0010 0.0024 0.0069 2989 ILE 886 HA 0.0020 0.0036 0.0025 2990 ILE 886 HB 0.0036 0.0038 0.0027 2991 ILE 886 1HG1 0.0005 0.0024 0.0066 2992 ILE 886 2HG1 -0.0010 0.0029 0.0041 2993 ILE 886 1HG2 0.0058 0.0030 0.0068 2994 ILE 886 2HG2 0.0049 0.0030 0.0062 2995 ILE 886 3HG2 0.0071 0.0038 0.0042 2996 ILE 886 1HD1 -0.0008 0.0019 0.0080 2997 ILE 886 2HD1 0.0027 0.0022 0.0082 2998 ILE 886 3HD1 0.0012 0.0027 0.0057 2999 LEU 887 N 0.0052 0.0052 -0.0019 3000 LEU 887 HN 0.0039 0.0051 -0.0021 3001 LEU 887 CA 0.0074 0.0059 -0.0036 3002 LEU 887 C 0.0069 0.0064 -0.0060 3003 LEU 887 O 0.0084 0.0067 -0.0064 3004 LEU 887 CB 0.0081 0.0062 -0.0045 3005 LEU 887 CG 0.0091 0.0058 -0.0024 3006 LEU 887 CD1 0.0095 0.0061 -0.0034 3007 LEU 887 CD2 0.0117 0.0058 -0.0011 3008 LEU 887 HA 0.0091 0.0058 -0.0025 3009 LEU 887 HB1 0.0063 0.0062 -0.0054 3010 LEU 887 HB2 0.0096 0.0068 -0.0059 3011 LEU 887 HG 0.0077 0.0052 -0.0009 3012 LEU 887 1HD1 0.0103 0.0058 -0.0019 3013 LEU 887 2HD1 0.0109 0.0067 -0.0050 3014 LEU 887 3HD1 0.0077 0.0061 -0.0042 3015 LEU 887 1HD2 0.0124 0.0055 0.0004 3016 LEU 887 2HD2 0.0114 0.0055 -0.0003 3017 LEU 887 3HD2 0.0132 0.0063 -0.0026 3018 HIS 888 N 0.0116 0.0021 -0.0095 3019 HIS 888 HN 0.0107 0.0035 -0.0100 3020 HIS 888 CA 0.0109 0.0032 -0.0099 3021 HIS 888 C 0.0085 0.0047 -0.0073 3022 HIS 888 O 0.0076 0.0057 -0.0073 3023 HIS 888 CB 0.0108 0.0054 -0.0133 3024 HIS 888 CG 0.0132 0.0040 -0.0161 3025 HIS 888 CD2 0.0142 0.0043 -0.0184 3026 HIS 888 ND1 0.0149 0.0022 -0.0166 3027 HIS 888 HD1 0.0147 0.0017 -0.0152 3028 HIS 888 CE1 0.0168 0.0014 -0.0192 3029 HIS 888 NE2 0.0165 0.0026 -0.0204 3030 HIS 888 HE2 0.0177 0.0023 -0.0224 3031 HIS 888 HA 0.0123 0.0014 -0.0097 3032 HIS 888 HB1 0.0096 0.0071 -0.0136 3033 HIS 888 HB2 0.0101 0.0063 -0.0134 3034 HIS 888 HD2 0.0132 0.0056 -0.0187 3035 HIS 888 HE1 0.0185 -0.0001 -0.0202 3036 ARG 889 N 0.0072 0.0049 -0.0050 3037 ARG 889 HN 0.0080 0.0041 -0.0052 3038 ARG 889 CA 0.0049 0.0062 -0.0023 3039 ARG 889 C 0.0029 0.0093 -0.0034 3040 ARG 889 O 0.0011 0.0105 -0.0016 3041 ARG 889 CB 0.0052 0.0043 0.0002 3042 ARG 889 CG 0.0067 0.0014 0.0021 3043 ARG 889 CD 0.0068 -0.0003 0.0046 3044 ARG 889 NE 0.0077 -0.0027 0.0068 3045 ARG 889 HE 0.0076 -0.0027 0.0069 3046 ARG 889 CZ 0.0086 -0.0050 0.0087 3047 ARG 889 NH1 0.0089 -0.0053 0.0086 3048 ARG 889 1HH1 0.0096 -0.0071 0.0101 3049 ARG 889 2HH1 0.0085 -0.0038 0.0069 3050 ARG 889 NH2 0.0091 -0.0070 0.0110 3051 ARG 889 1HH2 0.0098 -0.0087 0.0124 3052 ARG 889 2HH2 0.0088 -0.0067 0.0110 3053 ARG 889 HA 0.0044 0.0061 -0.0010 3054 ARG 889 HB1 0.0062 0.0039 -0.0011 3055 ARG 889 HB2 0.0034 0.0054 0.0021 3056 ARG 889 HG1 0.0058 0.0017 0.0033 3057 ARG 889 HG2 0.0085 0.0001 0.0003 3058 ARG 889 HD1 0.0080 -0.0011 0.0033 3059 ARG 889 HD2 0.0050 0.0011 0.0060 3060 ILE 890 N 0.0058 0.0063 -0.0052 3061 ILE 890 HN 0.0070 0.0059 -0.0050 3062 ILE 890 CA 0.0041 0.0073 -0.0067 3063 ILE 890 C 0.0020 0.0071 -0.0054 3064 ILE 890 O 0.0018 0.0070 -0.0050 3065 ILE 890 CB 0.0049 0.0080 -0.0086 3066 ILE 890 CG1 0.0071 0.0081 -0.0098 3067 ILE 890 CG2 0.0030 0.0091 -0.0101 3068 ILE 890 CD1 0.0083 0.0087 -0.0115 3069 ILE 890 HA 0.0036 0.0077 -0.0073 3070 ILE 890 HB 0.0054 0.0076 -0.0080 3071 ILE 890 1HG1 0.0065 0.0085 -0.0105 3072 ILE 890 2HG1 0.0083 0.0073 -0.0086 3073 ILE 890 1HG2 0.0036 0.0096 -0.0114 3074 ILE 890 2HG2 0.0025 0.0094 -0.0106 3075 ILE 890 3HG2 0.0016 0.0090 -0.0092 3076 ILE 890 1HD1 0.0097 0.0087 -0.0122 3077 ILE 890 2HD1 0.0071 0.0094 -0.0127 3078 ILE 890 3HD1 0.0088 0.0082 -0.0108 3079 TYR 891 N 0.0004 0.0071 -0.0047 3080 TYR 891 HN 0.0006 0.0072 -0.0049 3081 TYR 891 CA -0.0018 0.0071 -0.0037 3082 TYR 891 C -0.0035 0.0082 -0.0053 3083 TYR 891 O -0.0040 0.0089 -0.0066 3084 TYR 891 CB -0.0028 0.0066 -0.0021 3085 TYR 891 CG -0.0017 0.0054 -0.0001 3086 TYR 891 CD1 -0.0024 0.0049 0.0014 3087 TYR 891 CD2 -0.0002 0.0049 0.0004 3088 TYR 891 CE1 -0.0016 0.0038 0.0034 3089 TYR 891 CE2 0.0005 0.0038 0.0025 3090 TYR 891 CZ -0.0002 0.0032 0.0040 3091 TYR 891 OH 0.0007 0.0022 0.0059 3092 TYR 891 HH 0.0017 0.0018 0.0063 3093 TYR 891 HA -0.0015 0.0067 -0.0029 3094 TYR 891 HB1 -0.0025 0.0068 -0.0027 3095 TYR 891 HB2 -0.0046 0.0068 -0.0018 3096 TYR 891 HD1 -0.0035 0.0053 0.0010 3097 TYR 891 HD2 0.0004 0.0053 -0.0007 3098 TYR 891 HE1 -0.0020 0.0034 0.0045 3099 TYR 891 HE2 0.0016 0.0034 0.0029 3100 THR 892 N -0.0035 0.0024 -0.0022 3101 THR 892 HN -0.0034 0.0022 -0.0021 3102 THR 892 CA -0.0037 0.0029 -0.0026 3103 THR 892 C -0.0040 0.0031 -0.0024 3104 THR 892 O -0.0039 0.0028 -0.0022 3105 THR 892 CB -0.0034 0.0029 -0.0032 3106 THR 892 CG2 -0.0031 0.0026 -0.0033 3107 THR 892 OG1 -0.0036 0.0034 -0.0035 3108 THR 892 HG1 -0.0034 0.0034 -0.0039 3109 THR 892 HA -0.0039 0.0030 -0.0025 3110 THR 892 HB -0.0033 0.0028 -0.0032 3111 THR 892 1HG2 -0.0029 0.0027 -0.0038 3112 THR 892 2HG2 -0.0032 0.0028 -0.0033 3113 THR 892 3HG2 -0.0029 0.0023 -0.0031 3114 HIS 893 N -0.0043 0.0036 -0.0026 3115 HIS 893 HN -0.0043 0.0037 -0.0028 3116 HIS 893 CA -0.0045 0.0038 -0.0025 3117 HIS 893 C -0.0042 0.0037 -0.0028 3118 HIS 893 O -0.0043 0.0036 -0.0026 3119 HIS 893 CB -0.0048 0.0043 -0.0027 3120 HIS 893 CG -0.0051 0.0045 -0.0025 3121 HIS 893 CD2 -0.0051 0.0047 -0.0027 3122 HIS 893 ND1 -0.0054 0.0044 -0.0019 3123 HIS 893 HD1 -0.0054 0.0043 -0.0017 3124 HIS 893 CE1 -0.0056 0.0046 -0.0018 3125 HIS 893 NE2 -0.0054 0.0047 -0.0022 3126 HIS 893 HE2 -0.0055 0.0049 -0.0022 3127 HIS 893 HA -0.0047 0.0037 -0.0021 3128 HIS 893 HB1 -0.0047 0.0044 -0.0032 3129 HIS 893 HB2 -0.0050 0.0045 -0.0027 3130 HIS 893 HD2 -0.0050 0.0047 -0.0031 3131 HIS 893 HE1 -0.0058 0.0046 -0.0014 3132 GLN 894 N -0.0060 0.0039 -0.0059 3133 GLN 894 HN -0.0056 0.0040 -0.0068 3134 GLN 894 CA -0.0056 0.0038 -0.0054 3135 GLN 894 C -0.0045 0.0035 -0.0042 3136 GLN 894 O -0.0044 0.0034 -0.0034 3137 GLN 894 CB -0.0051 0.0039 -0.0066 3138 GLN 894 CG -0.0062 0.0042 -0.0076 3139 GLN 894 CD -0.0075 0.0041 -0.0069 3140 GLN 894 NE2 -0.0073 0.0040 -0.0065 3141 GLN 894 1HE2 -0.0064 0.0040 -0.0067 3142 GLN 894 2HE2 -0.0082 0.0040 -0.0061 3143 GLN 894 OE1 -0.0086 0.0041 -0.0068 3144 GLN 894 HA -0.0066 0.0037 -0.0049 3145 GLN 894 HB1 -0.0042 0.0040 -0.0071 3146 GLN 894 HB2 -0.0046 0.0038 -0.0061 3147 GLN 894 HG1 -0.0066 0.0043 -0.0082 3148 GLN 894 HG2 -0.0057 0.0043 -0.0084 3149 SER 895 N -0.0037 0.0035 -0.0039 3150 SER 895 HN -0.0038 0.0036 -0.0047 3151 SER 895 CA -0.0028 0.0032 -0.0027 3152 SER 895 C -0.0037 0.0030 -0.0015 3153 SER 895 O -0.0034 0.0028 -0.0003 3154 SER 895 CB -0.0015 0.0032 -0.0030 3155 SER 895 OG -0.0019 0.0033 -0.0033 3156 SER 895 HG -0.0011 0.0033 -0.0034 3157 SER 895 HA -0.0024 0.0032 -0.0025 3158 SER 895 HB1 -0.0009 0.0030 -0.0020 3159 SER 895 HB2 -0.0009 0.0033 -0.0038 3160 ASP 896 N -0.0030 0.0000 -0.0012 3161 ASP 896 HN -0.0031 0.0001 -0.0019 3162 ASP 896 CA -0.0037 0.0001 -0.0004 3163 ASP 896 C -0.0044 0.0001 -0.0001 3164 ASP 896 O -0.0047 0.0001 0.0008 3165 ASP 896 CB -0.0044 0.0002 -0.0007 3166 ASP 896 CG -0.0041 0.0001 -0.0004 3167 ASP 896 OD1 -0.0033 -0.0000 0.0001 3168 ASP 896 OD2 -0.0046 0.0002 -0.0007 3169 ASP 896 HA -0.0033 -0.0000 0.0003 3170 ASP 896 HB1 -0.0045 0.0003 -0.0016 3171 ASP 896 HB2 -0.0052 0.0003 -0.0004 3172 VAL 897 N -0.0046 0.0002 -0.0009 3173 VAL 897 HN -0.0044 0.0002 -0.0016 3174 VAL 897 CA -0.0050 0.0003 -0.0007 3175 VAL 897 C -0.0044 0.0001 0.0000 3176 VAL 897 O -0.0049 0.0002 0.0007 3177 VAL 897 CB -0.0053 0.0004 -0.0017 3178 VAL 897 CG1 -0.0057 0.0004 -0.0015 3179 VAL 897 CG2 -0.0060 0.0005 -0.0024 3180 VAL 897 HA -0.0058 0.0004 -0.0003 3181 VAL 897 HB -0.0045 0.0003 -0.0021 3182 VAL 897 1HG1 -0.0058 0.0005 -0.0022 3183 VAL 897 2HG1 -0.0064 0.0005 -0.0011 3184 VAL 897 3HG1 -0.0052 0.0003 -0.0010 3185 VAL 897 1HG2 -0.0062 0.0006 -0.0031 3186 VAL 897 2HG2 -0.0057 0.0005 -0.0025 3187 VAL 897 3HG2 -0.0067 0.0006 -0.0019 3188 TRP 898 N -0.0036 0.0001 -0.0003 3189 TRP 898 HN -0.0034 0.0003 -0.0010 3190 TRP 898 CA -0.0030 0.0003 0.0006 3191 TRP 898 C -0.0032 0.0001 0.0011 3192 TRP 898 O -0.0033 -0.0001 0.0020 3193 TRP 898 CB -0.0021 0.0009 0.0003 3194 TRP 898 CG -0.0014 0.0012 0.0011 3195 TRP 898 CD1 -0.0013 0.0012 0.0018 3196 TRP 898 CD2 -0.0008 0.0015 0.0013 3197 TRP 898 CE2 -0.0003 0.0017 0.0022 3198 TRP 898 CE3 -0.0007 0.0017 0.0009 3199 TRP 898 NE1 -0.0006 0.0015 0.0024 3200 TRP 898 HE1 -0.0004 0.0015 0.0030 3201 TRP 898 CZ2 0.0003 0.0020 0.0026 3202 TRP 898 CZ3 0.0000 0.0020 0.0013 3203 TRP 898 CH2 0.0005 0.0022 0.0022 3204 TRP 898 HA -0.0031 0.0002 0.0010 3205 TRP 898 HB1 -0.0020 0.0010 -0.0001 3206 TRP 898 HB2 -0.0020 0.0010 -0.0002 3207 TRP 898 HD1 -0.0016 0.0010 0.0018 3208 TRP 898 HE3 -0.0010 0.0015 0.0003 3209 TRP 898 HZ2 0.0007 0.0022 0.0033 3210 TRP 898 HZ3 0.0001 0.0021 0.0010 3211 TRP 898 HH2 0.0010 0.0024 0.0025 3212 SER 899 N -0.0032 0.0002 0.0006 3213 SER 899 HN -0.0031 0.0003 -0.0001 3214 SER 899 CA -0.0034 0.0000 0.0011 3215 SER 899 C -0.0043 -0.0005 0.0015 3216 SER 899 O -0.0043 -0.0007 0.0023 3217 SER 899 CB -0.0034 0.0002 0.0003 3218 SER 899 OG -0.0025 0.0007 -0.0001 3219 SER 899 HG -0.0025 0.0008 -0.0005 3220 SER 899 HA -0.0029 0.0002 0.0016 3221 SER 899 HB1 -0.0038 -0.0000 -0.0003 3222 SER 899 HB2 -0.0035 0.0000 0.0006 3223 TYR 900 N -0.0041 -0.0050 0.0015 3224 TYR 900 HN -0.0041 -0.0049 0.0015 3225 TYR 900 CA -0.0040 -0.0053 0.0016 3226 TYR 900 C -0.0039 -0.0054 0.0018 3227 TYR 900 O -0.0039 -0.0056 0.0018 3228 TYR 900 CB -0.0040 -0.0053 0.0016 3229 TYR 900 CG -0.0039 -0.0056 0.0017 3230 TYR 900 CD1 -0.0040 -0.0058 0.0015 3231 TYR 900 CD2 -0.0038 -0.0057 0.0019 3232 TYR 900 CE1 -0.0040 -0.0061 0.0016 3233 TYR 900 CE2 -0.0037 -0.0059 0.0020 3234 TYR 900 CZ -0.0038 -0.0061 0.0018 3235 TYR 900 OH -0.0037 -0.0064 0.0018 3236 TYR 900 HH -0.0036 -0.0064 0.0020 3237 TYR 900 HA -0.0041 -0.0054 0.0014 3238 TYR 900 HB1 -0.0041 -0.0053 0.0015 3239 TYR 900 HB2 -0.0039 -0.0052 0.0017 3240 TYR 900 HD1 -0.0042 -0.0058 0.0013 3241 TYR 900 HD2 -0.0037 -0.0055 0.0020 3242 TYR 900 HE1 -0.0040 -0.0062 0.0014 3243 TYR 900 HE2 -0.0036 -0.0060 0.0021 3244 GLY 901 N -0.0038 -0.0052 0.0020 3245 GLY 901 HN -0.0038 -0.0050 0.0020 3246 GLY 901 CA -0.0036 -0.0053 0.0022 3247 GLY 901 C -0.0036 -0.0054 0.0021 3248 GLY 901 O -0.0035 -0.0056 0.0022 3249 GLY 901 HA1 -0.0035 -0.0055 0.0022 3250 GLY 901 HA2 -0.0035 -0.0051 0.0023 3251 VAL 902 N -0.0010 -0.0045 0.0030 3252 VAL 902 HN -0.0009 -0.0046 0.0029 3253 VAL 902 CA -0.0009 -0.0042 0.0030 3254 VAL 902 C -0.0008 -0.0042 0.0029 3255 VAL 902 O -0.0009 -0.0040 0.0031 3256 VAL 902 CB -0.0007 -0.0040 0.0029 3257 VAL 902 CG1 -0.0007 -0.0036 0.0030 3258 VAL 902 CG2 -0.0008 -0.0040 0.0029 3259 VAL 902 HA -0.0011 -0.0041 0.0032 3260 VAL 902 HB -0.0005 -0.0041 0.0027 3261 VAL 902 1HG1 -0.0005 -0.0035 0.0029 3262 VAL 902 2HG1 -0.0008 -0.0035 0.0032 3263 VAL 902 3HG1 -0.0006 -0.0036 0.0029 3264 VAL 902 1HG2 -0.0006 -0.0039 0.0028 3265 VAL 902 2HG2 -0.0008 -0.0043 0.0029 3266 VAL 902 3HG2 -0.0010 -0.0039 0.0031 3267 THR 903 N -0.0007 -0.0044 0.0027 3268 THR 903 HN -0.0006 -0.0046 0.0026 3269 THR 903 CA -0.0006 -0.0045 0.0026 3270 THR 903 C -0.0008 -0.0046 0.0028 3271 THR 903 O -0.0008 -0.0044 0.0028 3272 THR 903 CB -0.0005 -0.0047 0.0023 3273 THR 903 CG2 -0.0004 -0.0048 0.0022 3274 THR 903 OG1 -0.0002 -0.0047 0.0022 3275 THR 903 HG1 -0.0001 -0.0048 0.0020 3276 THR 903 HA -0.0005 -0.0042 0.0026 3277 THR 903 HB -0.0006 -0.0050 0.0024 3278 THR 903 1HG2 -0.0002 -0.0050 0.0021 3279 THR 903 2HG2 -0.0002 -0.0046 0.0022 3280 THR 903 3HG2 -0.0005 -0.0049 0.0024 3281 VAL 904 N -0.0012 -0.0080 0.0013 3282 VAL 904 HN -0.0014 -0.0088 0.0017 3283 VAL 904 CA -0.0015 -0.0079 0.0014 3284 VAL 904 C -0.0025 -0.0069 0.0013 3285 VAL 904 O -0.0025 -0.0063 0.0010 3286 VAL 904 CB -0.0017 -0.0091 0.0020 3287 VAL 904 CG1 -0.0005 -0.0100 0.0020 3288 VAL 904 CG2 -0.0028 -0.0096 0.0026 3289 VAL 904 HA -0.0007 -0.0077 0.0010 3290 VAL 904 HB -0.0019 -0.0089 0.0020 3291 VAL 904 1HG1 -0.0007 -0.0108 0.0024 3292 VAL 904 2HG1 -0.0003 -0.0101 0.0020 3293 VAL 904 3HG1 0.0002 -0.0096 0.0015 3294 VAL 904 1HG2 -0.0030 -0.0104 0.0031 3295 VAL 904 2HG2 -0.0037 -0.0089 0.0027 3296 VAL 904 3HG2 -0.0027 -0.0097 0.0027 3297 TRP 905 N -0.0035 -0.0066 0.0015 3298 TRP 905 HN -0.0035 -0.0072 0.0018 3299 TRP 905 CA -0.0044 -0.0056 0.0014 3300 TRP 905 C -0.0039 -0.0044 0.0007 3301 TRP 905 O -0.0043 -0.0037 0.0005 3302 TRP 905 CB -0.0054 -0.0056 0.0018 3303 TRP 905 CG -0.0065 -0.0046 0.0018 3304 TRP 905 CD1 -0.0076 -0.0047 0.0022 3305 TRP 905 CD2 -0.0066 -0.0034 0.0012 3306 TRP 905 CE2 -0.0078 -0.0028 0.0014 3307 TRP 905 CE3 -0.0058 -0.0028 0.0007 3308 TRP 905 NE1 -0.0084 -0.0036 0.0020 3309 TRP 905 HE1 -0.0092 -0.0034 0.0022 3310 TRP 905 CZ2 -0.0081 -0.0016 0.0010 3311 TRP 905 CZ3 -0.0061 -0.0017 0.0003 3312 TRP 905 CH2 -0.0073 -0.0011 0.0004 3313 TRP 905 HA -0.0049 -0.0057 0.0017 3314 TRP 905 HB1 -0.0057 -0.0065 0.0023 3315 TRP 905 HB2 -0.0049 -0.0055 0.0015 3316 TRP 905 HD1 -0.0078 -0.0055 0.0026 3317 TRP 905 HE3 -0.0048 -0.0033 0.0005 3318 TRP 905 HZ2 -0.0090 -0.0011 0.0011 3319 TRP 905 HZ3 -0.0055 -0.0012 -0.0002 3320 TRP 905 HH2 -0.0076 -0.0001 0.0001 3321 GLU 906 N -0.0001 -0.0043 0.0027 3322 GLU 906 HN 0.0002 -0.0048 0.0025 3323 GLU 906 CA 0.0005 -0.0034 0.0023 3324 GLU 906 C 0.0006 -0.0035 0.0023 3325 GLU 906 O 0.0006 -0.0027 0.0023 3326 GLU 906 CB 0.0016 -0.0034 0.0016 3327 GLU 906 CG 0.0018 -0.0030 0.0015 3328 GLU 906 CD 0.0029 -0.0031 0.0008 3329 GLU 906 OE1 0.0032 -0.0041 0.0005 3330 GLU 906 OE2 0.0035 -0.0022 0.0004 3331 GLU 906 HA 0.0003 -0.0025 0.0026 3332 GLU 906 HB1 0.0019 -0.0043 0.0014 3333 GLU 906 HB2 0.0021 -0.0028 0.0013 3334 GLU 906 HG1 0.0016 -0.0020 0.0017 3335 GLU 906 HG2 0.0014 -0.0035 0.0018 3336 LEU 907 N 0.0007 -0.0047 0.0022 3337 LEU 907 HN 0.0007 -0.0053 0.0021 3338 LEU 907 CA 0.0007 -0.0049 0.0022 3339 LEU 907 C -0.0003 -0.0047 0.0028 3340 LEU 907 O -0.0003 -0.0041 0.0029 3341 LEU 907 CB 0.0009 -0.0062 0.0020 3342 LEU 907 CG 0.0018 -0.0067 0.0013 3343 LEU 907 CD1 0.0020 -0.0080 0.0012 3344 LEU 907 CD2 0.0027 -0.0059 0.0007 3345 LEU 907 HA 0.0012 -0.0044 0.0018 3346 LEU 907 HB1 0.0003 -0.0068 0.0024 3347 LEU 907 HB2 0.0010 -0.0063 0.0019 3348 LEU 907 HG 0.0016 -0.0068 0.0015 3349 LEU 907 1HD1 0.0027 -0.0083 0.0007 3350 LEU 907 2HD1 0.0021 -0.0080 0.0011 3351 LEU 907 3HD1 0.0014 -0.0086 0.0016 3352 LEU 907 1HD2 0.0033 -0.0063 0.0003 3353 LEU 907 2HD2 0.0026 -0.0051 0.0009 3354 LEU 907 3HD2 0.0029 -0.0058 0.0006 3355 MET 908 N -0.0009 -0.0069 -0.0004 3356 MET 908 HN -0.0010 -0.0075 -0.0001 3357 MET 908 CA -0.0021 -0.0066 0.0001 3358 MET 908 C -0.0027 -0.0050 -0.0001 3359 MET 908 O -0.0033 -0.0044 0.0000 3360 MET 908 CB -0.0032 -0.0075 0.0009 3361 MET 908 CG -0.0028 -0.0092 0.0013 3362 MET 908 SD -0.0018 -0.0098 0.0010 3363 MET 908 CE -0.0016 -0.0117 0.0015 3364 MET 908 HA -0.0017 -0.0068 0.0000 3365 MET 908 HB1 -0.0036 -0.0072 0.0010 3366 MET 908 HB2 -0.0041 -0.0072 0.0013 3367 MET 908 HG1 -0.0022 -0.0095 0.0011 3368 MET 908 HG2 -0.0037 -0.0097 0.0019 3369 MET 908 HE1 -0.0010 -0.0124 0.0014 3370 MET 908 HE2 -0.0027 -0.0121 0.0021 3371 MET 908 HE3 -0.0011 -0.0119 0.0013 3372 THR 909 N -0.0026 -0.0042 -0.0004 3373 THR 909 HN -0.0021 -0.0047 -0.0004 3374 THR 909 CA -0.0032 -0.0027 -0.0006 3375 THR 909 C -0.0021 -0.0017 -0.0014 3376 THR 909 O -0.0024 -0.0003 -0.0017 3377 THR 909 CB -0.0036 -0.0023 -0.0005 3378 THR 909 CG2 -0.0048 -0.0031 0.0004 3379 THR 909 OG1 -0.0024 -0.0028 -0.0009 3380 THR 909 HG1 -0.0017 -0.0023 -0.0014 3381 THR 909 HA -0.0041 -0.0024 -0.0002 3382 THR 909 HB -0.0039 -0.0012 -0.0007 3383 THR 909 1HG2 -0.0051 -0.0029 0.0004 3384 THR 909 2HG2 -0.0045 -0.0043 0.0006 3385 THR 909 3HG2 -0.0057 -0.0028 0.0007 3386 PHE 910 N -0.0002 -0.0018 -0.0006 3387 PHE 910 HN 0.0000 -0.0026 -0.0001 3388 PHE 910 CA 0.0007 -0.0014 -0.0015 3389 PHE 910 C 0.0006 -0.0007 -0.0020 3390 PHE 910 O 0.0008 0.0002 -0.0028 3391 PHE 910 CB 0.0007 -0.0008 -0.0020 3392 PHE 910 CG 0.0008 -0.0014 -0.0015 3393 PHE 910 CD1 0.0019 -0.0020 -0.0017 3394 PHE 910 CD2 -0.0001 -0.0015 -0.0009 3395 PHE 910 CE1 0.0021 -0.0026 -0.0014 3396 PHE 910 CE2 0.0000 -0.0021 -0.0005 3397 PHE 910 CZ 0.0011 -0.0026 -0.0007 3398 PHE 910 HA 0.0015 -0.0020 -0.0014 3399 PHE 910 HB1 -0.0001 -0.0001 -0.0020 3400 PHE 910 HB2 0.0014 -0.0005 -0.0027 3401 PHE 910 HD1 0.0027 -0.0019 -0.0022 3402 PHE 910 HD2 -0.0010 -0.0011 -0.0007 3403 PHE 910 HE1 0.0030 -0.0030 -0.0015 3404 PHE 910 HE2 -0.0007 -0.0022 -0.0000 3405 PHE 910 HZ 0.0013 -0.0031 -0.0004 3406 GLY 911 N 0.0005 -0.0011 -0.0016 3407 GLY 911 HN 0.0003 -0.0018 -0.0009 3408 GLY 911 CA 0.0005 -0.0006 -0.0020 3409 GLY 911 C -0.0006 -0.0000 -0.0018 3410 GLY 911 O -0.0007 0.0006 -0.0023 3411 GLY 911 HA1 0.0010 -0.0012 -0.0018 3412 GLY 911 HA2 0.0010 -0.0000 -0.0027 3413 SER 912 N 0.0008 0.0134 -0.0007 3414 SER 912 HN -0.0056 0.0062 0.0012 3415 SER 912 CA -0.0030 0.0202 0.0025 3416 SER 912 C 0.0052 0.0169 -0.0022 3417 SER 912 O 0.0096 0.0053 -0.0065 3418 SER 912 CB -0.0173 0.0163 0.0088 3419 SER 912 OG -0.0224 0.0247 0.0129 3420 SER 912 HG -0.0313 0.0223 0.0169 3421 SER 912 HA -0.0018 0.0317 0.0040 3422 SER 912 HB1 -0.0231 0.0174 0.0119 3423 SER 912 HB2 -0.0183 0.0052 0.0073 3424 LYS 913 N 0.0075 0.0273 -0.0014 3425 LYS 913 HN 0.0042 0.0370 0.0020 3426 LYS 913 CA 0.0144 0.0251 -0.0052 3427 LYS 913 C 0.0053 0.0171 -0.0022 3428 LYS 913 O -0.0049 0.0222 0.0038 3429 LYS 913 CB 0.0198 0.0397 -0.0052 3430 LYS 913 CG 0.0318 0.0450 -0.0101 3431 LYS 913 CD 0.0346 0.0612 -0.0085 3432 LYS 913 CE 0.0462 0.0666 -0.0132 3433 LYS 913 NZ 0.0458 0.0820 -0.0102 3434 LYS 913 HZ1 0.0536 0.0856 -0.0133 3435 LYS 913 HZ2 0.0451 0.0878 -0.0088 3436 LYS 913 HZ3 0.0372 0.0842 -0.0055 3437 LYS 913 HA 0.0225 0.0187 -0.0104 3438 LYS 913 HB1 0.0124 0.0473 -0.0001 3439 LYS 913 HB2 0.0226 0.0387 -0.0067 3440 LYS 913 HG1 0.0402 0.0401 -0.0152 3441 LYS 913 HG2 0.0302 0.0418 -0.0099 3442 LYS 913 HD1 0.0260 0.0662 -0.0033 3443 LYS 913 HD2 0.0365 0.0644 -0.0088 3444 LYS 913 HE1 0.0552 0.0649 -0.0180 3445 LYS 913 HE2 0.0460 0.0608 -0.0142 3446 PRO 914 N 0.0029 0.0081 -0.0083 3447 PRO 914 CA 0.0005 0.0062 -0.0071 3448 PRO 914 C -0.0026 0.0057 -0.0076 3449 PRO 914 O -0.0026 0.0057 -0.0076 3450 PRO 914 CB 0.0020 0.0041 -0.0045 3451 PRO 914 CG 0.0055 0.0051 -0.0044 3452 PRO 914 CD 0.0057 0.0074 -0.0067 3453 PRO 914 HA 0.0001 0.0065 -0.0075 3454 PRO 914 HB1 0.0012 0.0031 -0.0037 3455 PRO 914 HB2 0.0015 0.0030 -0.0035 3456 PRO 914 HG1 0.0067 0.0040 -0.0029 3457 PRO 914 HG2 0.0066 0.0053 -0.0043 3458 PRO 914 HD1 0.0058 0.0072 -0.0065 3459 PRO 914 HD2 0.0078 0.0086 -0.0073 3460 TYR 915 N -0.0052 0.0054 -0.0081 3461 TYR 915 HN -0.0050 0.0056 -0.0082 3462 TYR 915 CA -0.0084 0.0049 -0.0086 3463 TYR 915 C -0.0088 0.0066 -0.0105 3464 TYR 915 O -0.0096 0.0060 -0.0102 3465 TYR 915 CB -0.0093 0.0024 -0.0063 3466 TYR 915 CG -0.0084 0.0007 -0.0042 3467 TYR 915 CD1 -0.0056 0.0000 -0.0026 3468 TYR 915 CD2 -0.0104 -0.0003 -0.0038 3469 TYR 915 CE1 -0.0048 -0.0016 -0.0006 3470 TYR 915 CE2 -0.0096 -0.0020 -0.0018 3471 TYR 915 CZ -0.0067 -0.0026 -0.0002 3472 TYR 915 OH -0.0058 -0.0043 0.0018 3473 TYR 915 HH -0.0072 -0.0049 0.0020 3474 TYR 915 HA -0.0100 0.0050 -0.0092 3475 TYR 915 HB1 -0.0081 0.0023 -0.0059 3476 TYR 915 HB2 -0.0118 0.0020 -0.0066 3477 TYR 915 HD1 -0.0040 0.0008 -0.0029 3478 TYR 915 HD2 -0.0126 0.0002 -0.0050 3479 TYR 915 HE1 -0.0025 -0.0021 0.0006 3480 TYR 915 HE2 -0.0112 -0.0028 -0.0015 3481 ASP 916 N -0.0275 0.0328 -0.0084 3482 ASP 916 HN -0.0347 0.0302 -0.0073 3483 ASP 916 CA -0.0205 0.0543 -0.0103 3484 ASP 916 C -0.0324 0.0642 -0.0091 3485 ASP 916 O -0.0516 0.0618 -0.0063 3486 ASP 916 CB -0.0208 0.0686 -0.0108 3487 ASP 916 CG -0.0043 0.0863 -0.0138 3488 ASP 916 OD1 0.0081 0.0859 -0.0155 3489 ASP 916 OD2 -0.0031 0.0998 -0.0145 3490 ASP 916 HA -0.0039 0.0529 -0.0125 3491 ASP 916 HB1 -0.0173 0.0588 -0.0109 3492 ASP 916 HB2 -0.0365 0.0759 -0.0090 3493 GLY 917 N -0.0207 0.0747 -0.0111 3494 GLY 917 HN -0.0047 0.0765 -0.0133 3495 GLY 917 CA -0.0302 0.0837 -0.0102 3496 GLY 917 C -0.0356 0.0677 -0.0088 3497 GLY 917 O -0.0449 0.0734 -0.0077 3498 GLY 917 HA1 -0.0191 0.0952 -0.0122 3499 GLY 917 HA2 -0.0449 0.0920 -0.0085 3500 ILE 918 N -0.0213 0.0080 -0.0299 3501 ILE 918 HN -0.0168 0.0104 -0.0280 3502 ILE 918 CA -0.0248 0.0014 -0.0271 3503 ILE 918 C -0.0219 -0.0022 -0.0212 3504 ILE 918 O -0.0162 -0.0003 -0.0176 3505 ILE 918 CB -0.0248 0.0002 -0.0260 3506 ILE 918 CG1 -0.0282 0.0036 -0.0321 3507 ILE 918 CG2 -0.0282 -0.0069 -0.0226 3508 ILE 918 CD1 -0.0275 0.0037 -0.0317 3509 ILE 918 HA -0.0296 -0.0002 -0.0300 3510 ILE 918 HB -0.0200 0.0021 -0.0233 3511 ILE 918 1HG1 -0.0331 0.0012 -0.0345 3512 ILE 918 2HG1 -0.0261 0.0084 -0.0347 3513 ILE 918 1HG2 -0.0282 -0.0077 -0.0219 3514 ILE 918 2HG2 -0.0330 -0.0089 -0.0252 3515 ILE 918 3HG2 -0.0257 -0.0092 -0.0182 3516 ILE 918 1HD1 -0.0300 0.0061 -0.0361 3517 ILE 918 2HD1 -0.0296 -0.0011 -0.0292 3518 ILE 918 3HD1 -0.0226 0.0061 -0.0293 3519 PRO 919 N -0.0256 -0.0072 -0.0199 3520 PRO 919 CA -0.0234 -0.0112 -0.0143 3521 PRO 919 C -0.0206 -0.0145 -0.0088 3522 PRO 919 O -0.0217 -0.0150 -0.0092 3523 PRO 919 CB -0.0292 -0.0159 -0.0153 3524 PRO 919 CG -0.0348 -0.0159 -0.0204 3525 PRO 919 CD -0.0323 -0.0092 -0.0242 3526 PRO 919 HA -0.0198 -0.0083 -0.0137 3527 PRO 919 HB1 -0.0294 -0.0206 -0.0113 3528 PRO 919 HB2 -0.0290 -0.0143 -0.0165 3529 PRO 919 HG1 -0.0363 -0.0193 -0.0187 3530 PRO 919 HG2 -0.0387 -0.0170 -0.0230 3531 PRO 919 HD1 -0.0346 -0.0092 -0.0265 3532 PRO 919 HD2 -0.0329 -0.0062 -0.0275 3533 ALA 920 N -0.0221 -0.0050 -0.0108 3534 ALA 920 HN -0.0230 -0.0054 -0.0115 3535 ALA 920 CA -0.0193 -0.0060 -0.0034 3536 ALA 920 C -0.0237 -0.0105 0.0001 3537 ALA 920 O -0.0215 -0.0103 0.0036 3538 ALA 920 CB -0.0172 -0.0065 0.0017 3539 ALA 920 HA -0.0149 -0.0028 -0.0036 3540 ALA 920 HB1 -0.0151 -0.0073 0.0073 3541 ALA 920 HB2 -0.0215 -0.0096 0.0017 3542 ALA 920 HB3 -0.0137 -0.0031 -0.0005 3543 SER 921 N -0.0300 -0.0145 -0.0009 3544 SER 921 HN -0.0317 -0.0143 -0.0044 3545 SER 921 CA -0.0346 -0.0192 0.0027 3546 SER 921 C -0.0366 -0.0193 -0.0005 3547 SER 921 O -0.0391 -0.0225 0.0030 3548 SER 921 CB -0.0407 -0.0235 0.0026 3549 SER 921 OG -0.0442 -0.0230 -0.0048 3550 SER 921 HG -0.0479 -0.0257 -0.0048 3551 SER 921 HA -0.0322 -0.0198 0.0084 3552 SER 921 HB1 -0.0440 -0.0269 0.0055 3553 SER 921 HB2 -0.0393 -0.0236 0.0055 3554 GLU 922 N -0.0382 -0.0236 -0.0082 3555 GLU 922 HN -0.0372 -0.0235 -0.0111 3556 GLU 922 CA -0.0354 -0.0224 -0.0124 3557 GLU 922 C -0.0285 -0.0165 -0.0097 3558 GLU 922 O -0.0263 -0.0150 -0.0109 3559 GLU 922 CB -0.0352 -0.0243 -0.0222 3560 GLU 922 CG -0.0425 -0.0305 -0.0251 3561 GLU 922 CD -0.0424 -0.0325 -0.0347 3562 GLU 922 OE1 -0.0481 -0.0375 -0.0375 3563 GLU 922 OE2 -0.0367 -0.0291 -0.0392 3564 GLU 922 HA -0.0391 -0.0248 -0.0106 3565 GLU 922 HB1 -0.0329 -0.0228 -0.0239 3566 GLU 922 HB2 -0.0320 -0.0225 -0.0254 3567 GLU 922 HG1 -0.0448 -0.0319 -0.0232 3568 GLU 922 HG2 -0.0455 -0.0322 -0.0220 3569 ILE 923 N -0.0249 -0.0128 -0.0055 3570 ILE 923 HN -0.0273 -0.0142 -0.0035 3571 ILE 923 CA -0.0179 -0.0070 -0.0036 3572 ILE 923 C -0.0171 -0.0053 0.0015 3573 ILE 923 O -0.0122 -0.0019 -0.0003 3574 ILE 923 CB -0.0154 -0.0041 0.0011 3575 ILE 923 CG1 -0.0147 -0.0047 -0.0046 3576 ILE 923 CG2 -0.0086 0.0019 0.0049 3577 ILE 923 CD1 -0.0085 -0.0015 -0.0117 3578 ILE 923 HA -0.0146 -0.0057 -0.0096 3579 ILE 923 HB -0.0193 -0.0060 0.0064 3580 ILE 923 1HG1 -0.0193 -0.0090 -0.0076 3581 ILE 923 2HG1 -0.0141 -0.0035 -0.0007 3582 ILE 923 1HG2 -0.0071 0.0038 0.0081 3583 ILE 923 2HG2 -0.0046 0.0040 -0.0002 3584 ILE 923 3HG2 -0.0094 0.0023 0.0094 3585 ILE 923 1HD1 -0.0084 -0.0022 -0.0154 3586 ILE 923 2HD1 -0.0090 -0.0028 -0.0158 3587 ILE 923 3HD1 -0.0038 0.0028 -0.0088 3588 SER 924 N -0.0115 0.0057 -0.0008 3589 SER 924 HN -0.0150 0.0044 -0.0011 3590 SER 924 CA -0.0106 0.0088 0.0028 3591 SER 924 C -0.0082 0.0091 0.0022 3592 SER 924 O -0.0044 0.0113 0.0036 3593 SER 924 CB -0.0155 0.0097 0.0058 3594 SER 924 OG -0.0177 0.0098 0.0068 3595 SER 924 HG -0.0207 0.0104 0.0086 3596 SER 924 HA -0.0083 0.0107 0.0043 3597 SER 924 HB1 -0.0180 0.0079 0.0044 3598 SER 924 HB2 -0.0148 0.0121 0.0085 3599 SER 925 N -0.0100 0.0067 -0.0001 3600 SER 925 HN -0.0130 0.0049 -0.0012 3601 SER 925 CA -0.0081 0.0065 -0.0011 3602 SER 925 C -0.0030 0.0059 -0.0037 3603 SER 925 O 0.0000 0.0070 -0.0034 3604 SER 925 CB -0.0115 0.0038 -0.0031 3605 SER 925 OG -0.0118 0.0006 -0.0071 3606 SER 925 HG -0.0139 -0.0010 -0.0083 3607 SER 925 HA -0.0077 0.0088 0.0017 3608 SER 925 HB1 -0.0102 0.0041 -0.0032 3609 SER 925 HB2 -0.0152 0.0042 -0.0013 3610 ILE 926 N -0.0073 0.0003 -0.0039 3611 ILE 926 HN -0.0113 -0.0012 -0.0049 3612 ILE 926 CA -0.0016 -0.0017 -0.0058 3613 ILE 926 C 0.0022 0.0021 -0.0031 3614 ILE 926 O 0.0076 0.0029 -0.0027 3615 ILE 926 CB -0.0030 -0.0060 -0.0091 3616 ILE 926 CG1 -0.0056 -0.0103 -0.0124 3617 ILE 926 CG2 0.0025 -0.0075 -0.0106 3618 ILE 926 CD1 -0.0086 -0.0142 -0.0153 3619 ILE 926 HA 0.0009 -0.0029 -0.0069 3620 ILE 926 HB -0.0066 -0.0050 -0.0081 3621 ILE 926 1HG1 -0.0018 -0.0118 -0.0138 3622 ILE 926 2HG1 -0.0089 -0.0090 -0.0112 3623 ILE 926 1HG2 0.0012 -0.0105 -0.0130 3624 ILE 926 2HG2 0.0062 -0.0084 -0.0116 3625 ILE 926 3HG2 0.0040 -0.0045 -0.0084 3626 ILE 926 1HD1 -0.0103 -0.0171 -0.0175 3627 ILE 926 2HD1 -0.0054 -0.0155 -0.0165 3628 ILE 926 3HD1 -0.0124 -0.0127 -0.0139 3629 LEU 927 N -0.0005 0.0047 -0.0008 3630 LEU 927 HN -0.0050 0.0041 -0.0010 3631 LEU 927 CA 0.0028 0.0084 0.0019 3632 LEU 927 C 0.0048 0.0127 0.0052 3633 LEU 927 O 0.0094 0.0151 0.0068 3634 LEU 927 CB -0.0011 0.0100 0.0034 3635 LEU 927 CG -0.0023 0.0062 0.0005 3636 LEU 927 CD1 -0.0073 0.0079 0.0021 3637 LEU 927 CD2 0.0035 0.0052 -0.0007 3638 LEU 927 HA 0.0068 0.0068 0.0004 3639 LEU 927 HB1 -0.0055 0.0111 0.0045 3640 LEU 927 HB2 0.0012 0.0131 0.0057 3641 LEU 927 HG -0.0039 0.0030 -0.0020 3642 LEU 927 1HD1 -0.0081 0.0052 -0.0000 3643 LEU 927 2HD1 -0.0059 0.0112 0.0047 3644 LEU 927 3HD1 -0.0115 0.0083 0.0027 3645 LEU 927 1HD2 0.0025 0.0025 -0.0028 3646 LEU 927 2HD2 0.0069 0.0039 -0.0019 3647 LEU 927 3HD2 0.0053 0.0084 0.0018 3648 GLU 928 N 0.0150 0.0214 0.0041 3649 GLU 928 HN 0.0105 0.0179 0.0037 3650 GLU 928 CA 0.0195 0.0280 0.0052 3651 GLU 928 C 0.0288 0.0261 0.0040 3652 GLU 928 O 0.0342 0.0318 0.0048 3653 GLU 928 CB 0.0151 0.0303 0.0062 3654 GLU 928 CG 0.0063 0.0343 0.0079 3655 GLU 928 CD 0.0034 0.0402 0.0095 3656 GLU 928 OE1 0.0042 0.0380 0.0089 3657 GLU 928 OE2 0.0001 0.0469 0.0114 3658 GLU 928 HA 0.0195 0.0335 0.0065 3659 GLU 928 HB1 0.0141 0.0246 0.0049 3660 GLU 928 HB2 0.0191 0.0347 0.0068 3661 GLU 928 HG1 0.0068 0.0378 0.0086 3662 GLU 928 HG2 0.0015 0.0293 0.0071 3663 LYS 929 N 0.0310 0.0181 0.0019 3664 LYS 929 HN 0.0263 0.0135 0.0013 3665 LYS 929 CA 0.0398 0.0156 0.0006 3666 LYS 929 C 0.0452 0.0164 0.0003 3667 LYS 929 O 0.0531 0.0166 -0.0004 3668 LYS 929 CB 0.0401 0.0065 -0.0016 3669 LYS 929 CG 0.0373 0.0056 -0.0016 3670 LYS 929 CD 0.0404 -0.0027 -0.0038 3671 LYS 929 CE 0.0347 -0.0104 -0.0051 3672 LYS 929 NZ 0.0273 -0.0104 -0.0044 3673 LYS 929 HZ1 0.0235 -0.0155 -0.0053 3674 LYS 929 HZ2 0.0240 -0.0049 -0.0028 3675 LYS 929 HZ3 0.0291 -0.0101 -0.0045 3676 LYS 929 HA 0.0426 0.0197 0.0013 3677 LYS 929 HB1 0.0358 0.0026 -0.0021 3678 LYS 929 HB2 0.0466 0.0044 -0.0027 3679 LYS 929 HG1 0.0401 0.0108 -0.0006 3680 LYS 929 HG2 0.0304 0.0057 -0.0009 3681 LYS 929 HD1 0.0468 -0.0039 -0.0046 3682 LYS 929 HD2 0.0408 -0.0021 -0.0037 3683 LYS 929 HE1 0.0325 -0.0101 -0.0048 3684 LYS 929 HE2 0.0383 -0.0161 -0.0067 3685 GLY 930 N 0.0342 0.0188 0.0009 3686 GLY 930 HN 0.0277 0.0188 0.0005 3687 GLY 930 CA 0.0370 0.0184 0.0011 3688 GLY 930 C 0.0352 0.0098 0.0005 3689 GLY 930 O 0.0358 0.0089 0.0005 3690 GLY 930 HA1 0.0336 0.0234 0.0012 3691 GLY 930 HA2 0.0439 0.0196 0.0017 3692 GLU 931 N 0.0326 0.0033 -0.0000 3693 GLU 931 HN 0.0321 0.0044 -0.0000 3694 GLU 931 CA 0.0305 -0.0053 -0.0007 3695 GLU 931 C 0.0225 -0.0052 -0.0013 3696 GLU 931 O 0.0157 -0.0014 -0.0015 3697 GLU 931 CB 0.0297 -0.0116 -0.0011 3698 GLU 931 CG 0.0380 -0.0123 -0.0005 3699 GLU 931 CD 0.0363 -0.0172 -0.0009 3700 GLU 931 OE1 0.0327 -0.0245 -0.0016 3701 GLU 931 OE2 0.0384 -0.0137 -0.0006 3702 GLU 931 HA 0.0359 -0.0075 -0.0004 3703 GLU 931 HB1 0.0243 -0.0094 -0.0014 3704 GLU 931 HB2 0.0282 -0.0180 -0.0016 3705 GLU 931 HG1 0.0430 -0.0156 -0.0003 3706 GLU 931 HG2 0.0402 -0.0058 0.0000 3707 ARG 932 N 0.0040 0.0030 0.0033 3708 ARG 932 HN 0.0050 0.0022 0.0043 3709 ARG 932 CA 0.0020 0.0021 0.0023 3710 ARG 932 C 0.0017 -0.0003 0.0030 3711 ARG 932 O 0.0030 -0.0011 0.0042 3712 ARG 932 CB 0.0015 0.0022 0.0019 3713 ARG 932 CG 0.0009 0.0044 0.0007 3714 ARG 932 CD 0.0025 0.0060 0.0011 3715 ARG 932 NE 0.0017 0.0080 -0.0002 3716 ARG 932 HE 0.0009 0.0081 -0.0008 3717 ARG 932 CZ 0.0021 0.0097 -0.0006 3718 ARG 932 NH1 0.0030 0.0096 0.0000 3719 ARG 932 1HH1 0.0032 0.0109 -0.0003 3720 ARG 932 2HH1 0.0034 0.0083 0.0009 3721 ARG 932 NH2 0.0015 0.0115 -0.0017 3722 ARG 932 1HH2 0.0018 0.0128 -0.0020 3723 ARG 932 2HH2 0.0008 0.0115 -0.0022 3724 ARG 932 HA 0.0012 0.0029 0.0014 3725 ARG 932 HB1 0.0027 0.0021 0.0028 3726 ARG 932 HB2 0.0003 0.0009 0.0016 3727 ARG 932 HG1 -0.0003 0.0040 -0.0001 3728 ARG 932 HG2 0.0006 0.0051 0.0001 3729 ARG 932 HD1 0.0037 0.0063 0.0019 3730 ARG 932 HD2 0.0028 0.0053 0.0016 3731 LEU 933 N -0.0001 -0.0014 0.0022 3732 LEU 933 HN -0.0011 -0.0006 0.0012 3733 LEU 933 CA -0.0007 -0.0037 0.0027 3734 LEU 933 C 0.0003 -0.0051 0.0039 3735 LEU 933 O 0.0005 -0.0046 0.0038 3736 LEU 933 CB -0.0028 -0.0044 0.0015 3737 LEU 933 CG -0.0041 -0.0036 0.0003 3738 LEU 933 CD1 -0.0061 -0.0036 -0.0011 3739 LEU 933 CD2 -0.0043 -0.0050 0.0007 3740 LEU 933 HA -0.0004 -0.0039 0.0030 3741 LEU 933 HB1 -0.0031 -0.0038 0.0010 3742 LEU 933 HB2 -0.0032 -0.0061 0.0019 3743 LEU 933 HG -0.0035 -0.0020 0.0001 3744 LEU 933 1HD1 -0.0070 -0.0030 -0.0019 3745 LEU 933 2HD1 -0.0067 -0.0052 -0.0009 3746 LEU 933 3HD1 -0.0059 -0.0025 -0.0014 3747 LEU 933 1HD2 -0.0052 -0.0045 -0.0002 3748 LEU 933 2HD2 -0.0029 -0.0050 0.0016 3749 LEU 933 3HD2 -0.0049 -0.0067 0.0009 3750 PRO 934 N -0.0069 -0.0033 -0.0019 3751 PRO 934 CA -0.0077 -0.0033 -0.0014 3752 PRO 934 C -0.0072 -0.0040 -0.0015 3753 PRO 934 O -0.0061 -0.0042 -0.0020 3754 PRO 934 CB -0.0080 -0.0019 -0.0016 3755 PRO 934 CG -0.0070 -0.0013 -0.0024 3756 PRO 934 CD -0.0065 -0.0021 -0.0024 3757 PRO 934 HA -0.0085 -0.0038 -0.0009 3758 PRO 934 HB1 -0.0082 -0.0018 -0.0016 3759 PRO 934 HB2 -0.0088 -0.0015 -0.0014 3760 PRO 934 HG1 -0.0063 -0.0013 -0.0027 3761 PRO 934 HG2 -0.0072 -0.0003 -0.0025 3762 PRO 934 HD1 -0.0055 -0.0022 -0.0029 3763 PRO 934 HD2 -0.0068 -0.0017 -0.0024 3764 GLN 935 N -0.0080 -0.0044 -0.0010 3765 GLN 935 HN -0.0088 -0.0042 -0.0006 3766 GLN 935 CA -0.0076 -0.0049 -0.0010 3767 GLN 935 C -0.0069 -0.0041 -0.0016 3768 GLN 935 O -0.0074 -0.0030 -0.0017 3769 GLN 935 CB -0.0086 -0.0053 -0.0004 3770 GLN 935 CG -0.0082 -0.0059 -0.0004 3771 GLN 935 CD -0.0092 -0.0066 0.0003 3772 GLN 935 NE2 -0.0090 -0.0071 0.0003 3773 GLN 935 1HE2 -0.0082 -0.0071 -0.0001 3774 GLN 935 2HE2 -0.0096 -0.0075 0.0008 3775 GLN 935 OE1 -0.0102 -0.0066 0.0008 3776 GLN 935 HA -0.0070 -0.0058 -0.0011 3777 GLN 935 HB1 -0.0090 -0.0060 0.0000 3778 GLN 935 HB2 -0.0092 -0.0045 -0.0003 3779 GLN 935 HG1 -0.0080 -0.0052 -0.0007 3780 GLN 935 HG2 -0.0075 -0.0066 -0.0006 3781 PRO 936 N -0.0073 -0.0060 -0.0021 3782 PRO 936 CA -0.0065 -0.0051 -0.0032 3783 PRO 936 C -0.0062 -0.0044 -0.0042 3784 PRO 936 O -0.0059 -0.0047 -0.0037 3785 PRO 936 CB -0.0049 -0.0053 -0.0025 3786 PRO 936 CG -0.0052 -0.0063 -0.0011 3787 PRO 936 CD -0.0064 -0.0067 -0.0008 3788 PRO 936 HA -0.0071 -0.0049 -0.0037 3789 PRO 936 HB1 -0.0040 -0.0051 -0.0025 3790 PRO 936 HB2 -0.0045 -0.0049 -0.0029 3791 PRO 936 HG1 -0.0042 -0.0065 -0.0004 3792 PRO 936 HG2 -0.0057 -0.0064 -0.0010 3793 PRO 936 HD1 -0.0058 -0.0068 -0.0005 3794 PRO 936 HD2 -0.0072 -0.0073 -0.0001 3795 PRO 937 N -0.0062 -0.0036 -0.0054 3796 PRO 937 CA -0.0061 -0.0029 -0.0064 3797 PRO 937 C -0.0047 -0.0028 -0.0062 3798 PRO 937 O -0.0048 -0.0026 -0.0065 3799 PRO 937 CB -0.0061 -0.0020 -0.0077 3800 PRO 937 CG -0.0071 -0.0023 -0.0075 3801 PRO 937 CD -0.0068 -0.0032 -0.0061 3802 PRO 937 HA -0.0072 -0.0030 -0.0065 3803 PRO 937 HB1 -0.0049 -0.0017 -0.0079 3804 PRO 937 HB2 -0.0066 -0.0016 -0.0085 3805 PRO 937 HG1 -0.0068 -0.0019 -0.0081 3806 PRO 937 HG2 -0.0083 -0.0024 -0.0078 3807 PRO 937 HD1 -0.0060 -0.0032 -0.0059 3808 PRO 937 HD2 -0.0079 -0.0037 -0.0057 3809 ILE 938 N -0.0022 -0.0060 -0.0071 3810 ILE 938 HN -0.0017 -0.0064 -0.0066 3811 ILE 938 CA -0.0013 -0.0055 -0.0069 3812 ILE 938 C -0.0013 -0.0067 -0.0062 3813 ILE 938 O -0.0006 -0.0065 -0.0059 3814 ILE 938 CB 0.0003 -0.0049 -0.0065 3815 ILE 938 CG1 0.0011 -0.0059 -0.0055 3816 ILE 938 CG2 0.0003 -0.0036 -0.0073 3817 ILE 938 CD1 0.0028 -0.0055 -0.0049 3818 ILE 938 HA -0.0017 -0.0048 -0.0076 3819 ILE 938 HB 0.0009 -0.0045 -0.0065 3820 ILE 938 1HG1 0.0010 -0.0059 -0.0056 3821 ILE 938 2HG1 0.0007 -0.0070 -0.0051 3822 ILE 938 1HG2 0.0014 -0.0032 -0.0071 3823 ILE 938 2HG2 -0.0004 -0.0040 -0.0074 3824 ILE 938 3HG2 -0.0001 -0.0029 -0.0080 3825 ILE 938 1HD1 0.0034 -0.0063 -0.0042 3826 ILE 938 2HD1 0.0033 -0.0045 -0.0054 3827 ILE 938 3HD1 0.0030 -0.0055 -0.0049 3828 CYS 939 N -0.0021 -0.0080 -0.0057 3829 CYS 939 HN -0.0027 -0.0081 -0.0060 3830 CYS 939 CA -0.0021 -0.0092 -0.0050 3831 CYS 939 C -0.0033 -0.0094 -0.0054 3832 CYS 939 O -0.0046 -0.0094 -0.0061 3833 CYS 939 CB -0.0024 -0.0106 -0.0042 3834 CYS 939 SG -0.0007 -0.0108 -0.0033 3835 CYS 939 HA -0.0010 -0.0090 -0.0046 3836 CYS 939 HB1 -0.0032 -0.0105 -0.0047 3837 CYS 939 HB2 -0.0028 -0.0114 -0.0039 3838 CYS 939 HG 0.0003 -0.0109 -0.0028 3839 THR 940 N -0.0010 -0.0101 -0.0095 3840 THR 940 HN 0.0009 -0.0106 -0.0097 3841 THR 940 CA -0.0019 -0.0108 -0.0074 3842 THR 940 C -0.0037 -0.0112 -0.0054 3843 THR 940 O -0.0039 -0.0112 -0.0053 3844 THR 940 CB 0.0004 -0.0121 -0.0063 3845 THR 940 CG2 0.0021 -0.0116 -0.0084 3846 THR 940 OG1 0.0022 -0.0131 -0.0055 3847 THR 940 HG1 0.0036 -0.0139 -0.0048 3848 THR 940 HA -0.0030 -0.0100 -0.0082 3849 THR 940 HB -0.0003 -0.0126 -0.0048 3850 THR 940 1HG2 0.0037 -0.0125 -0.0077 3851 THR 940 2HG2 0.0028 -0.0111 -0.0100 3852 THR 940 3HG2 0.0008 -0.0109 -0.0091 3853 ILE 941 N -0.0053 -0.0115 -0.0037 3854 ILE 941 HN -0.0053 -0.0114 -0.0039 3855 ILE 941 CA -0.0069 -0.0120 -0.0015 3856 ILE 941 C -0.0053 -0.0134 0.0001 3857 ILE 941 O -0.0063 -0.0136 0.0012 3858 ILE 941 CB -0.0088 -0.0121 -0.0001 3859 ILE 941 CG1 -0.0110 -0.0123 0.0018 3860 ILE 941 CG2 -0.0071 -0.0133 0.0012 3861 ILE 941 CD1 -0.0131 -0.0110 0.0006 3862 ILE 941 HA -0.0082 -0.0112 -0.0023 3863 ILE 941 HB -0.0097 -0.0111 -0.0015 3864 ILE 941 1HG1 -0.0120 -0.0125 0.0029 3865 ILE 941 2HG1 -0.0101 -0.0132 0.0030 3866 ILE 941 1HG2 -0.0085 -0.0133 0.0022 3867 ILE 941 2HG2 -0.0060 -0.0143 0.0025 3868 ILE 941 3HG2 -0.0058 -0.0131 -0.0002 3869 ILE 941 1HD1 -0.0146 -0.0113 0.0021 3870 ILE 941 2HD1 -0.0140 -0.0101 -0.0006 3871 ILE 941 3HD1 -0.0121 -0.0108 -0.0005 3872 ASP 942 N -0.0023 -0.0141 -0.0043 3873 ASP 942 HN -0.0019 -0.0138 -0.0049 3874 ASP 942 CA -0.0014 -0.0144 -0.0033 3875 ASP 942 C -0.0013 -0.0145 -0.0030 3876 ASP 942 O -0.0016 -0.0150 -0.0021 3877 ASP 942 CB -0.0002 -0.0140 -0.0035 3878 ASP 942 CG -0.0003 -0.0139 -0.0038 3879 ASP 942 OD1 -0.0003 -0.0143 -0.0030 3880 ASP 942 OD2 -0.0003 -0.0135 -0.0048 3881 ASP 942 HA -0.0018 -0.0148 -0.0026 3882 ASP 942 HB1 0.0001 -0.0137 -0.0042 3883 ASP 942 HB2 0.0004 -0.0142 -0.0028 3884 VAL 943 N -0.0010 -0.0141 -0.0038 3885 VAL 943 HN -0.0007 -0.0137 -0.0045 3886 VAL 943 CA -0.0009 -0.0141 -0.0036 3887 VAL 943 C -0.0021 -0.0144 -0.0035 3888 VAL 943 O -0.0022 -0.0147 -0.0029 3889 VAL 943 CB -0.0002 -0.0136 -0.0045 3890 VAL 943 CG1 0.0012 -0.0135 -0.0042 3891 VAL 943 CG2 -0.0005 -0.0131 -0.0057 3892 VAL 943 HA -0.0004 -0.0144 -0.0028 3893 VAL 943 HB -0.0005 -0.0137 -0.0045 3894 VAL 943 1HG1 0.0016 -0.0131 -0.0049 3895 VAL 943 2HG1 0.0014 -0.0134 -0.0042 3896 VAL 943 3HG1 0.0014 -0.0138 -0.0034 3897 VAL 943 1HG2 -0.0000 -0.0128 -0.0063 3898 VAL 943 2HG2 -0.0015 -0.0132 -0.0059 3899 VAL 943 3HG2 -0.0003 -0.0131 -0.0057 3900 TYR 944 N -0.0056 -0.0127 -0.0003 3901 TYR 944 HN -0.0057 -0.0130 0.0003 3902 TYR 944 CA -0.0060 -0.0113 -0.0002 3903 TYR 944 C -0.0063 -0.0113 0.0005 3904 TYR 944 O -0.0063 -0.0105 0.0000 3905 TYR 944 CB -0.0065 -0.0104 0.0005 3906 TYR 944 CG -0.0070 -0.0090 0.0005 3907 TYR 944 CD1 -0.0068 -0.0081 -0.0007 3908 TYR 944 CD2 -0.0076 -0.0084 0.0017 3909 TYR 944 CE1 -0.0072 -0.0068 -0.0007 3910 TYR 944 CE2 -0.0080 -0.0070 0.0017 3911 TYR 944 CZ -0.0078 -0.0062 0.0005 3912 TYR 944 OH -0.0082 -0.0048 0.0006 3913 TYR 944 HH -0.0081 -0.0043 -0.0002 3914 TYR 944 HA -0.0058 -0.0108 -0.0012 3915 TYR 944 HB1 -0.0063 -0.0105 -0.0001 3916 TYR 944 HB2 -0.0068 -0.0109 0.0015 3917 TYR 944 HD1 -0.0063 -0.0086 -0.0017 3918 TYR 944 HD2 -0.0077 -0.0090 0.0026 3919 TYR 944 HE1 -0.0070 -0.0062 -0.0016 3920 TYR 944 HE2 -0.0085 -0.0066 0.0027 3921 MET 945 N -0.0064 -0.0122 0.0015 3922 MET 945 HN -0.0063 -0.0129 0.0019 3923 MET 945 CA -0.0066 -0.0123 0.0021 3924 MET 945 C -0.0061 -0.0128 0.0012 3925 MET 945 O -0.0062 -0.0124 0.0013 3926 MET 945 CB -0.0068 -0.0132 0.0035 3927 MET 945 CG -0.0074 -0.0125 0.0046 3928 MET 945 SD -0.0079 -0.0129 0.0062 3929 MET 945 CE -0.0080 -0.0120 0.0058 3930 MET 945 HA -0.0069 -0.0113 0.0023 3931 MET 945 HB1 -0.0064 -0.0142 0.0033 3932 MET 945 HB2 -0.0068 -0.0135 0.0037 3933 MET 945 HG1 -0.0076 -0.0114 0.0044 3934 MET 945 HG2 -0.0074 -0.0128 0.0047 3935 MET 945 HE1 -0.0083 -0.0121 0.0067 3936 MET 945 HE2 -0.0082 -0.0109 0.0056 3937 MET 945 HE3 -0.0076 -0.0124 0.0050 3938 ILE 946 N -0.0048 -0.0104 -0.0000 3939 ILE 946 HN -0.0049 -0.0106 0.0001 3940 ILE 946 CA -0.0048 -0.0105 -0.0005 3941 ILE 946 C -0.0047 -0.0101 -0.0007 3942 ILE 946 O -0.0046 -0.0099 -0.0009 3943 ILE 946 CB -0.0048 -0.0108 -0.0006 3944 ILE 946 CG1 -0.0049 -0.0112 -0.0004 3945 ILE 946 CG2 -0.0048 -0.0109 -0.0011 3946 ILE 946 CD1 -0.0049 -0.0113 -0.0004 3947 ILE 946 HA -0.0048 -0.0105 -0.0005 3948 ILE 946 HB -0.0048 -0.0108 -0.0006 3949 ILE 946 1HG1 -0.0050 -0.0112 -0.0001 3950 ILE 946 2HG1 -0.0050 -0.0115 -0.0006 3951 ILE 946 1HG2 -0.0048 -0.0112 -0.0012 3952 ILE 946 2HG2 -0.0048 -0.0109 -0.0012 3953 ILE 946 3HG2 -0.0047 -0.0106 -0.0013 3954 ILE 946 1HD1 -0.0050 -0.0116 -0.0003 3955 ILE 946 2HD1 -0.0049 -0.0111 -0.0003 3956 ILE 946 3HD1 -0.0049 -0.0114 -0.0008 3957 MET 947 N -0.0046 -0.0099 -0.0006 3958 MET 947 HN -0.0047 -0.0100 -0.0004 3959 MET 947 CA -0.0045 -0.0095 -0.0008 3960 MET 947 C -0.0045 -0.0092 -0.0007 3961 MET 947 O -0.0044 -0.0089 -0.0009 3962 MET 947 CB -0.0045 -0.0094 -0.0007 3963 MET 947 CG -0.0046 -0.0096 -0.0009 3964 MET 947 SD -0.0046 -0.0095 -0.0006 3965 MET 947 CE -0.0046 -0.0099 -0.0009 3966 MET 947 HA -0.0045 -0.0095 -0.0011 3967 MET 947 HB1 -0.0046 -0.0094 -0.0003 3968 MET 947 HB2 -0.0045 -0.0091 -0.0008 3969 MET 947 HG1 -0.0045 -0.0096 -0.0012 3970 MET 947 HG2 -0.0046 -0.0100 -0.0008 3971 MET 947 HE1 -0.0046 -0.0098 -0.0008 3972 MET 947 HE2 -0.0047 -0.0102 -0.0008 3973 MET 947 HE3 -0.0046 -0.0098 -0.0012 3974 VAL 948 N -0.0059 -0.0072 0.0010 3975 VAL 948 HN -0.0058 -0.0081 0.0017 3976 VAL 948 CA -0.0054 -0.0058 0.0016 3977 VAL 948 C -0.0056 -0.0051 0.0010 3978 VAL 948 O -0.0055 -0.0038 0.0006 3979 VAL 948 CB -0.0048 -0.0060 0.0032 3980 VAL 948 CG1 -0.0043 -0.0046 0.0038 3981 VAL 948 CG2 -0.0046 -0.0063 0.0038 3982 VAL 948 HA -0.0054 -0.0051 0.0014 3983 VAL 948 HB -0.0049 -0.0069 0.0034 3984 VAL 948 1HG1 -0.0039 -0.0048 0.0049 3985 VAL 948 2HG1 -0.0043 -0.0037 0.0036 3986 VAL 948 3HG1 -0.0045 -0.0044 0.0034 3987 VAL 948 1HG2 -0.0042 -0.0064 0.0049 3988 VAL 948 2HG2 -0.0050 -0.0073 0.0034 3989 VAL 948 3HG2 -0.0046 -0.0054 0.0036 3990 LYS 949 N -0.0058 -0.0060 0.0007 3991 LYS 949 HN -0.0059 -0.0070 0.0010 3992 LYS 949 CA -0.0061 -0.0055 -0.0001 3993 LYS 949 C -0.0065 -0.0048 -0.0015 3994 LYS 949 O -0.0065 -0.0038 -0.0020 3995 LYS 949 CB -0.0063 -0.0067 -0.0001 3996 LYS 949 CG -0.0058 -0.0071 0.0013 3997 LYS 949 CD -0.0061 -0.0085 0.0013 3998 LYS 949 CE -0.0056 -0.0090 0.0027 3999 LYS 949 NZ -0.0058 -0.0105 0.0027 4000 LYS 949 HZ1 -0.0055 -0.0109 0.0036 4001 LYS 949 HZ2 -0.0061 -0.0105 0.0020 4002 LYS 949 HZ3 -0.0061 -0.0112 0.0023 4003 LYS 949 HA -0.0057 -0.0046 0.0005 4004 LYS 949 HB1 -0.0066 -0.0077 -0.0004 4005 LYS 949 HB2 -0.0066 -0.0064 -0.0009 4006 LYS 949 HG1 -0.0056 -0.0062 0.0015 4007 LYS 949 HG2 -0.0055 -0.0072 0.0021 4008 LYS 949 HD1 -0.0064 -0.0093 0.0008 4009 LYS 949 HD2 -0.0063 -0.0082 0.0006 4010 LYS 949 HE1 -0.0053 -0.0083 0.0031 4011 LYS 949 HE2 -0.0053 -0.0091 0.0034 4012 CYS 950 N -0.0041 -0.0029 -0.0007 4013 CYS 950 HN -0.0041 -0.0036 -0.0002 4014 CYS 950 CA -0.0046 -0.0025 -0.0017 4015 CYS 950 C -0.0041 -0.0014 -0.0018 4016 CYS 950 O -0.0044 -0.0008 -0.0026 4017 CYS 950 CB -0.0053 -0.0035 -0.0020 4018 CYS 950 SG -0.0060 -0.0047 -0.0021 4019 CYS 950 HA -0.0049 -0.0022 -0.0024 4020 CYS 950 HB1 -0.0050 -0.0038 -0.0013 4021 CYS 950 HB2 -0.0056 -0.0031 -0.0027 4022 CYS 950 HG -0.0064 -0.0043 -0.0029 4023 TRP 951 N -0.0034 -0.0012 -0.0008 4024 TRP 951 HN -0.0032 -0.0018 -0.0002 4025 TRP 951 CA -0.0028 -0.0003 -0.0007 4026 TRP 951 C -0.0021 0.0007 -0.0004 4027 TRP 951 O -0.0015 0.0014 0.0000 4028 TRP 951 CB -0.0025 -0.0008 0.0001 4029 TRP 951 CG -0.0031 -0.0018 -0.0001 4030 TRP 951 CD1 -0.0038 -0.0018 -0.0011 4031 TRP 951 CD2 -0.0031 -0.0028 0.0007 4032 TRP 951 CE2 -0.0038 -0.0035 0.0001 4033 TRP 951 CE3 -0.0025 -0.0032 0.0018 4034 TRP 951 NE1 -0.0043 -0.0029 -0.0010 4035 TRP 951 HE1 -0.0048 -0.0032 -0.0016 4036 TRP 951 CZ2 -0.0040 -0.0045 0.0006 4037 TRP 951 CZ3 -0.0027 -0.0042 0.0023 4038 TRP 951 CH2 -0.0034 -0.0049 0.0018 4039 TRP 951 HA -0.0032 0.0001 -0.0015 4040 TRP 951 HB1 -0.0021 -0.0011 0.0009 4041 TRP 951 HB2 -0.0021 -0.0001 0.0002 4042 TRP 951 HD1 -0.0040 -0.0012 -0.0018 4043 TRP 951 HE3 -0.0020 -0.0026 0.0022 4044 TRP 951 HZ2 -0.0045 -0.0050 0.0002 4045 TRP 951 HZ3 -0.0022 -0.0045 0.0032 4046 TRP 951 HH2 -0.0035 -0.0057 0.0022 4047 MET 952 N -0.0013 0.0034 -0.0013 4048 MET 952 HN -0.0031 0.0018 -0.0020 4049 MET 952 CA 0.0003 0.0057 -0.0016 4050 MET 952 C 0.0013 0.0085 -0.0036 4051 MET 952 O 0.0002 0.0087 -0.0058 4052 MET 952 CB -0.0008 0.0050 -0.0025 4053 MET 952 CG -0.0013 0.0025 -0.0000 4054 MET 952 SD 0.0012 0.0034 0.0029 4055 MET 952 CE 0.0026 0.0030 0.0058 4056 MET 952 HA 0.0018 0.0058 0.0007 4057 MET 952 HB1 -0.0025 0.0045 -0.0046 4058 MET 952 HB2 0.0004 0.0068 -0.0029 4059 MET 952 HG1 -0.0018 0.0010 0.0011 4060 MET 952 HG2 -0.0028 0.0016 -0.0012 4061 MET 952 HE1 0.0042 0.0035 0.0077 4062 MET 952 HE2 0.0013 0.0008 0.0065 4063 MET 952 HE3 0.0031 0.0044 0.0048 4064 ILE 953 N 0.0037 0.0107 -0.0028 4065 ILE 953 HN 0.0046 0.0104 -0.0008 4066 ILE 953 CA 0.0049 0.0136 -0.0045 4067 ILE 953 C 0.0038 0.0145 -0.0076 4068 ILE 953 O 0.0032 0.0156 -0.0099 4069 ILE 953 CB 0.0076 0.0156 -0.0027 4070 ILE 953 CG1 0.0090 0.0185 -0.0043 4071 ILE 953 CG2 0.0082 0.0157 -0.0020 4072 ILE 953 CD1 0.0092 0.0186 -0.0041 4073 ILE 953 HA 0.0048 0.0136 -0.0047 4074 ILE 953 HB 0.0083 0.0148 -0.0005 4075 ILE 953 1HG1 0.0108 0.0199 -0.0032 4076 ILE 953 2HG1 0.0081 0.0192 -0.0067 4077 ILE 953 1HG2 0.0101 0.0172 -0.0007 4078 ILE 953 2HG2 0.0074 0.0164 -0.0041 4079 ILE 953 3HG2 0.0074 0.0137 -0.0006 4080 ILE 953 1HD1 0.0102 0.0208 -0.0053 4081 ILE 953 2HD1 0.0102 0.0180 -0.0017 4082 ILE 953 3HD1 0.0074 0.0173 -0.0052 4083 ASP 954 N 0.0068 0.0087 -0.0081 4084 ASP 954 HN 0.0065 0.0085 -0.0073 4085 ASP 954 CA 0.0054 0.0090 -0.0111 4086 ASP 954 C 0.0025 0.0084 -0.0106 4087 ASP 954 O 0.0006 0.0077 -0.0088 4088 ASP 954 CB 0.0048 0.0092 -0.0128 4089 ASP 954 CG 0.0037 0.0096 -0.0160 4090 ASP 954 OD1 0.0049 0.0101 -0.0172 4091 ASP 954 OD2 0.0015 0.0094 -0.0171 4092 ASP 954 HA 0.0070 0.0095 -0.0123 4093 ASP 954 HB1 0.0069 0.0096 -0.0128 4094 ASP 954 HB2 0.0031 0.0087 -0.0116 4095 ALA 955 N 0.0024 0.0086 -0.0121 4096 ALA 955 HN 0.0041 0.0092 -0.0135 4097 ALA 955 CA -0.0002 0.0081 -0.0120 4098 ALA 955 C -0.0031 0.0078 -0.0135 4099 ALA 955 O -0.0056 0.0071 -0.0123 4100 ALA 955 CB 0.0007 0.0086 -0.0135 4101 ALA 955 HA -0.0006 0.0076 -0.0096 4102 ALA 955 HB1 -0.0012 0.0082 -0.0134 4103 ALA 955 HB2 0.0013 0.0091 -0.0159 4104 ALA 955 HB3 0.0027 0.0087 -0.0123 4105 ASP 956 N -0.0005 0.0058 -0.0182 4106 ASP 956 HN 0.0020 0.0069 -0.0189 4107 ASP 956 CA -0.0034 0.0046 -0.0200 4108 ASP 956 C -0.0056 0.0035 -0.0172 4109 ASP 956 O -0.0088 0.0021 -0.0175 4110 ASP 956 CB -0.0022 0.0055 -0.0232 4111 ASP 956 CG -0.0007 0.0064 -0.0265 4112 ASP 956 OD1 -0.0014 0.0061 -0.0267 4113 ASP 956 OD2 0.0009 0.0073 -0.0290 4114 ASP 956 HA -0.0051 0.0040 -0.0213 4115 ASP 956 HB1 -0.0002 0.0063 -0.0220 4116 ASP 956 HB2 -0.0044 0.0046 -0.0242 4117 SER 957 N -0.0038 0.0040 -0.0143 4118 SER 957 HN -0.0012 0.0051 -0.0142 4119 SER 957 CA -0.0055 0.0030 -0.0113 4120 SER 957 C -0.0076 0.0018 -0.0086 4121 SER 957 O -0.0100 0.0006 -0.0067 4122 SER 957 CB -0.0029 0.0039 -0.0086 4123 SER 957 OG -0.0013 0.0048 -0.0105 4124 SER 957 HG 0.0003 0.0053 -0.0089 4125 SER 957 HA -0.0073 0.0023 -0.0126 4126 SER 957 HB1 -0.0010 0.0047 -0.0075 4127 SER 957 HB2 -0.0044 0.0031 -0.0062 4128 ARG 958 N -0.0048 0.0018 -0.0048 4129 ARG 958 HN -0.0043 0.0026 -0.0054 4130 ARG 958 CA -0.0055 0.0008 -0.0043 4131 ARG 958 C -0.0068 -0.0002 -0.0050 4132 ARG 958 O -0.0072 0.0001 -0.0062 4133 ARG 958 CB -0.0054 0.0012 -0.0048 4134 ARG 958 CG -0.0041 0.0022 -0.0042 4135 ARG 958 CD -0.0041 0.0027 -0.0051 4136 ARG 958 NE -0.0028 0.0037 -0.0046 4137 ARG 958 HE -0.0022 0.0038 -0.0037 4138 ARG 958 CZ -0.0024 0.0044 -0.0054 4139 ARG 958 NH1 -0.0032 0.0043 -0.0065 4140 ARG 958 1HH1 -0.0040 0.0035 -0.0067 4141 ARG 958 2HH1 -0.0029 0.0049 -0.0071 4142 ARG 958 NH2 -0.0013 0.0055 -0.0051 4143 ARG 958 1HH2 -0.0007 0.0056 -0.0042 4144 ARG 958 2HH2 -0.0010 0.0061 -0.0057 4145 ARG 958 HA -0.0053 0.0005 -0.0031 4146 ARG 958 HB1 -0.0057 0.0015 -0.0060 4147 ARG 958 HB2 -0.0060 0.0004 -0.0044 4148 ARG 958 HG1 -0.0039 0.0018 -0.0031 4149 ARG 958 HG2 -0.0035 0.0029 -0.0044 4150 ARG 958 HD1 -0.0044 0.0029 -0.0063 4151 ARG 958 HD2 -0.0046 0.0020 -0.0048 4152 PRO 959 N -0.0076 -0.0013 -0.0042 4153 PRO 959 CA -0.0089 -0.0022 -0.0049 4154 PRO 959 C -0.0095 -0.0021 -0.0063 4155 PRO 959 O -0.0091 -0.0016 -0.0065 4156 PRO 959 CB -0.0094 -0.0034 -0.0036 4157 PRO 959 CG -0.0084 -0.0030 -0.0023 4158 PRO 959 CD -0.0074 -0.0017 -0.0029 4159 PRO 959 HA -0.0090 -0.0022 -0.0051 4160 PRO 959 HB1 -0.0100 -0.0038 -0.0040 4161 PRO 959 HB2 -0.0099 -0.0040 -0.0034 4162 PRO 959 HG1 -0.0086 -0.0036 -0.0016 4163 PRO 959 HG2 -0.0081 -0.0031 -0.0016 4164 PRO 959 HD1 -0.0075 -0.0017 -0.0032 4165 PRO 959 HD2 -0.0065 -0.0013 -0.0021 4166 LYS 960 N -0.0051 0.0001 -0.0026 4167 LYS 960 HN -0.0055 0.0002 -0.0029 4168 LYS 960 CA -0.0057 0.0001 -0.0028 4169 LYS 960 C -0.0066 -0.0003 -0.0019 4170 LYS 960 O -0.0070 -0.0005 -0.0013 4171 LYS 960 CB -0.0064 0.0004 -0.0040 4172 LYS 960 CG -0.0056 0.0008 -0.0050 4173 LYS 960 CD -0.0051 0.0010 -0.0055 4174 LYS 960 CE -0.0044 0.0014 -0.0066 4175 LYS 960 NZ -0.0042 0.0016 -0.0072 4176 LYS 960 HZ1 -0.0037 0.0019 -0.0079 4177 LYS 960 HZ2 -0.0038 0.0015 -0.0066 4178 LYS 960 HZ3 -0.0050 0.0016 -0.0073 4179 LYS 960 HA -0.0051 0.0002 -0.0029 4180 LYS 960 HB1 -0.0070 0.0004 -0.0040 4181 LYS 960 HB2 -0.0069 0.0004 -0.0042 4182 LYS 960 HG1 -0.0048 0.0008 -0.0047 4183 LYS 960 HG2 -0.0061 0.0010 -0.0057 4184 LYS 960 HD1 -0.0058 0.0010 -0.0057 4185 LYS 960 HD2 -0.0045 0.0009 -0.0049 4186 LYS 960 HE1 -0.0035 0.0014 -0.0064 4187 LYS 960 HE2 -0.0049 0.0015 -0.0071 4188 PHE 961 N -0.0070 -0.0003 -0.0019 4189 PHE 961 HN -0.0066 -0.0001 -0.0024 4190 PHE 961 CA -0.0079 -0.0006 -0.0010 4191 PHE 961 C -0.0091 -0.0007 -0.0012 4192 PHE 961 O -0.0096 -0.0010 -0.0003 4193 PHE 961 CB -0.0080 -0.0007 -0.0010 4194 PHE 961 CG -0.0069 -0.0008 -0.0004 4195 PHE 961 CD1 -0.0062 -0.0005 -0.0010 4196 PHE 961 CD2 -0.0067 -0.0011 0.0008 4197 PHE 961 CE1 -0.0052 -0.0006 -0.0004 4198 PHE 961 CE2 -0.0057 -0.0012 0.0013 4199 PHE 961 CZ -0.0050 -0.0010 0.0008 4200 PHE 961 HA -0.0075 -0.0009 -0.0002 4201 PHE 961 HB1 -0.0081 -0.0004 -0.0018 4202 PHE 961 HB2 -0.0088 -0.0009 -0.0005 4203 PHE 961 HD1 -0.0064 -0.0003 -0.0018 4204 PHE 961 HD2 -0.0072 -0.0013 0.0012 4205 PHE 961 HE1 -0.0047 -0.0004 -0.0008 4206 PHE 961 HE2 -0.0055 -0.0015 0.0022 4207 PHE 961 HZ -0.0042 -0.0010 0.0012 4208 ARG 962 N -0.0076 -0.0012 -0.0002 4209 ARG 962 HN -0.0075 -0.0011 -0.0005 4210 ARG 962 CA -0.0080 -0.0005 -0.0005 4211 ARG 962 C -0.0076 -0.0006 -0.0008 4212 ARG 962 O -0.0079 -0.0005 -0.0006 4213 ARG 962 CB -0.0080 0.0001 -0.0012 4214 ARG 962 CG -0.0085 0.0004 -0.0009 4215 ARG 962 CD -0.0085 0.0010 -0.0016 4216 ARG 962 NE -0.0090 0.0013 -0.0013 4217 ARG 962 HE -0.0093 0.0010 -0.0007 4218 ARG 962 CZ -0.0091 0.0017 -0.0017 4219 ARG 962 NH1 -0.0087 0.0021 -0.0025 4220 ARG 962 1HH1 -0.0087 0.0024 -0.0028 4221 ARG 962 2HH1 -0.0083 0.0019 -0.0027 4222 ARG 962 NH2 -0.0095 0.0019 -0.0014 4223 ARG 962 1HH2 -0.0096 0.0023 -0.0017 4224 ARG 962 2HH2 -0.0098 0.0017 -0.0008 4225 ARG 962 HA -0.0085 -0.0004 -0.0001 4226 ARG 962 HB1 -0.0075 -0.0000 -0.0016 4227 ARG 962 HB2 -0.0082 0.0006 -0.0014 4228 ARG 962 HG1 -0.0091 0.0006 -0.0005 4229 ARG 962 HG2 -0.0083 -0.0000 -0.0006 4230 ARG 962 HD1 -0.0080 0.0008 -0.0020 4231 ARG 962 HD2 -0.0087 0.0015 -0.0019 4232 GLU 963 N -0.0069 -0.0009 -0.0013 4233 GLU 963 HN -0.0066 -0.0011 -0.0014 4234 GLU 963 CA -0.0064 -0.0010 -0.0017 4235 GLU 963 C -0.0064 -0.0016 -0.0011 4236 GLU 963 O -0.0065 -0.0015 -0.0011 4237 GLU 963 CB -0.0056 -0.0013 -0.0022 4238 GLU 963 CG -0.0056 -0.0008 -0.0028 4239 GLU 963 CD -0.0048 -0.0012 -0.0033 4240 GLU 963 OE1 -0.0043 -0.0015 -0.0035 4241 GLU 963 OE2 -0.0046 -0.0012 -0.0034 4242 GLU 963 HA -0.0066 -0.0005 -0.0020 4243 GLU 963 HB1 -0.0054 -0.0019 -0.0019 4244 GLU 963 HB2 -0.0053 -0.0014 -0.0025 4245 GLU 963 HG1 -0.0057 -0.0003 -0.0032 4246 GLU 963 HG2 -0.0059 -0.0007 -0.0025 4247 LEU 964 N -0.0054 -0.0034 -0.0001 4248 LEU 964 HN -0.0057 -0.0037 0.0004 4249 LEU 964 CA -0.0054 -0.0039 -0.0003 4250 LEU 964 C -0.0053 -0.0033 -0.0001 4251 LEU 964 O -0.0051 -0.0033 -0.0006 4252 LEU 964 CB -0.0059 -0.0048 0.0001 4253 LEU 964 CG -0.0060 -0.0055 -0.0001 4254 LEU 964 CD1 -0.0065 -0.0062 0.0005 4255 LEU 964 CD2 -0.0057 -0.0060 -0.0010 4256 LEU 964 HA -0.0051 -0.0041 -0.0010 4257 LEU 964 HB1 -0.0061 -0.0046 0.0008 4258 LEU 964 HB2 -0.0059 -0.0051 -0.0000 4259 LEU 964 HG -0.0059 -0.0051 -0.0001 4260 LEU 964 1HD1 -0.0065 -0.0067 0.0003 4261 LEU 964 2HD1 -0.0066 -0.0065 0.0006 4262 LEU 964 3HD1 -0.0067 -0.0058 0.0012 4263 LEU 964 1HD2 -0.0058 -0.0065 -0.0012 4264 LEU 964 2HD2 -0.0053 -0.0055 -0.0015 4265 LEU 964 3HD2 -0.0058 -0.0064 -0.0011 4266 ILE 965 N -0.0056 -0.0028 0.0007 4267 ILE 965 HN -0.0058 -0.0029 0.0011 4268 ILE 965 CA -0.0055 -0.0022 0.0010 4269 ILE 965 C -0.0050 -0.0014 0.0005 4270 ILE 965 O -0.0048 -0.0012 0.0002 4271 ILE 965 CB -0.0058 -0.0017 0.0019 4272 ILE 965 CG1 -0.0063 -0.0023 0.0026 4273 ILE 965 CG2 -0.0057 -0.0009 0.0022 4274 ILE 965 CD1 -0.0066 -0.0020 0.0034 4275 ILE 965 HA -0.0056 -0.0025 0.0010 4276 ILE 965 HB -0.0057 -0.0013 0.0019 4277 ILE 965 1HG1 -0.0064 -0.0025 0.0027 4278 ILE 965 2HG1 -0.0063 -0.0029 0.0023 4279 ILE 965 1HG2 -0.0059 -0.0006 0.0028 4280 ILE 965 2HG2 -0.0058 -0.0013 0.0022 4281 ILE 965 3HG2 -0.0053 -0.0004 0.0017 4282 ILE 965 1HD1 -0.0069 -0.0025 0.0039 4283 ILE 965 2HD1 -0.0065 -0.0014 0.0037 4284 ILE 965 3HD1 -0.0064 -0.0018 0.0033 4285 ILE 966 N -0.0051 -0.0011 0.0011 4286 ILE 966 HN -0.0051 -0.0012 0.0011 4287 ILE 966 CA -0.0042 0.0007 -0.0004 4288 ILE 966 C -0.0028 -0.0005 -0.0018 4289 ILE 966 O -0.0027 0.0002 -0.0022 4290 ILE 966 CB -0.0037 0.0023 -0.0014 4291 ILE 966 CG1 -0.0051 0.0041 -0.0000 4292 ILE 966 CG2 -0.0024 0.0039 -0.0033 4293 ILE 966 CD1 -0.0047 0.0054 -0.0008 4294 ILE 966 HA -0.0051 0.0020 0.0004 4295 ILE 966 HB -0.0031 0.0011 -0.0019 4296 ILE 966 1HG1 -0.0056 0.0055 0.0002 4297 ILE 966 2HG1 -0.0061 0.0030 0.0014 4298 ILE 966 1HG2 -0.0021 0.0050 -0.0040 4299 ILE 966 2HG2 -0.0030 0.0051 -0.0029 4300 ILE 966 3HG2 -0.0014 0.0027 -0.0043 4301 ILE 966 1HD1 -0.0058 0.0066 0.0003 4302 ILE 966 2HD1 -0.0038 0.0066 -0.0022 4303 ILE 966 3HD1 -0.0043 0.0040 -0.0010 4304 GLU 967 N -0.0019 -0.0026 -0.0025 4305 GLU 967 HN -0.0021 -0.0033 -0.0020 4306 GLU 967 CA -0.0005 -0.0039 -0.0039 4307 GLU 967 C -0.0009 -0.0051 -0.0031 4308 GLU 967 O -0.0004 -0.0046 -0.0039 4309 GLU 967 CB 0.0005 -0.0057 -0.0048 4310 GLU 967 CG 0.0023 -0.0067 -0.0067 4311 GLU 967 CD 0.0031 -0.0046 -0.0082 4312 GLU 967 OE1 0.0030 -0.0026 -0.0085 4313 GLU 967 OE2 0.0039 -0.0048 -0.0091 4314 GLU 967 HA 0.0002 -0.0025 -0.0051 4315 GLU 967 HB1 0.0006 -0.0048 -0.0051 4316 GLU 967 HB2 -0.0001 -0.0073 -0.0037 4317 GLU 967 HG1 0.0029 -0.0078 -0.0073 4318 GLU 967 HG2 0.0022 -0.0079 -0.0063 4319 PHE 968 N -0.0009 -0.0037 -0.0004 4320 PHE 968 HN -0.0017 -0.0039 0.0005 4321 PHE 968 CA -0.0013 -0.0050 -0.0000 4322 PHE 968 C -0.0017 -0.0031 0.0007 4323 PHE 968 O -0.0015 -0.0036 0.0003 4324 PHE 968 CB -0.0027 -0.0072 0.0014 4325 PHE 968 CG -0.0021 -0.0094 0.0005 4326 PHE 968 CD1 -0.0028 -0.0099 0.0012 4327 PHE 968 CD2 -0.0009 -0.0111 -0.0010 4328 PHE 968 CE1 -0.0022 -0.0119 0.0004 4329 PHE 968 CE2 -0.0004 -0.0132 -0.0017 4330 PHE 968 CZ -0.0011 -0.0136 -0.0010 4331 PHE 968 HA -0.0001 -0.0059 -0.0014 4332 PHE 968 HB1 -0.0038 -0.0064 0.0027 4333 PHE 968 HB2 -0.0031 -0.0079 0.0017 4334 PHE 968 HD1 -0.0038 -0.0086 0.0024 4335 PHE 968 HD2 -0.0004 -0.0107 -0.0016 4336 PHE 968 HE1 -0.0027 -0.0121 0.0009 4337 PHE 968 HE2 0.0005 -0.0145 -0.0029 4338 PHE 968 HZ -0.0006 -0.0152 -0.0016 4339 SER 969 N -0.0024 -0.0008 0.0016 4340 SER 969 HN -0.0028 -0.0006 0.0020 4341 SER 969 CA -0.0026 0.0013 0.0020 4342 SER 969 C -0.0009 0.0025 0.0002 4343 SER 969 O -0.0007 0.0033 0.0001 4344 SER 969 CB -0.0035 0.0037 0.0032 4345 SER 969 OG -0.0053 0.0034 0.0053 4346 SER 969 HG -0.0059 0.0049 0.0060 4347 SER 969 HA -0.0034 0.0006 0.0029 4348 SER 969 HB1 -0.0031 0.0038 0.0028 4349 SER 969 HB2 -0.0030 0.0054 0.0029 4350 LYS 970 N -0.0024 0.0046 -0.0046 4351 LYS 970 HN -0.0020 0.0039 -0.0048 4352 LYS 970 CA -0.0005 0.0059 -0.0076 4353 LYS 970 C 0.0007 0.0031 -0.0080 4354 LYS 970 O 0.0009 0.0045 -0.0088 4355 LYS 970 CB 0.0017 0.0067 -0.0108 4356 LYS 970 CG 0.0006 0.0104 -0.0110 4357 LYS 970 CD 0.0027 0.0107 -0.0140 4358 LYS 970 CE 0.0017 0.0143 -0.0142 4359 LYS 970 NZ 0.0038 0.0142 -0.0169 4360 LYS 970 HZ1 0.0031 0.0166 -0.0171 4361 LYS 970 HZ2 0.0056 0.0142 -0.0192 4362 LYS 970 HZ3 0.0046 0.0116 -0.0167 4363 LYS 970 HA -0.0016 0.0088 -0.0075 4364 LYS 970 HB1 0.0025 0.0040 -0.0107 4365 LYS 970 HB2 0.0032 0.0071 -0.0130 4366 LYS 970 HG1 -0.0001 0.0131 -0.0114 4367 LYS 970 HG2 -0.0012 0.0101 -0.0087 4368 LYS 970 HD1 0.0034 0.0080 -0.0136 4369 LYS 970 HD2 0.0044 0.0111 -0.0163 4370 LYS 970 HE1 0.0011 0.0171 -0.0147 4371 LYS 970 HE2 -0.0001 0.0140 -0.0118 4372 MET 971 N 0.0014 -0.0009 -0.0071 4373 MET 971 HN 0.0013 -0.0018 -0.0065 4374 MET 971 CA 0.0024 -0.0039 -0.0071 4375 MET 971 C 0.0003 -0.0043 -0.0041 4376 MET 971 O 0.0009 -0.0056 -0.0044 4377 MET 971 CB 0.0037 -0.0080 -0.0068 4378 MET 971 CG 0.0062 -0.0083 -0.0100 4379 MET 971 SD 0.0073 -0.0128 -0.0095 4380 MET 971 CE 0.0106 -0.0124 -0.0138 4381 MET 971 HA 0.0040 -0.0032 -0.0094 4382 MET 971 HB1 0.0022 -0.0084 -0.0047 4383 MET 971 HB2 0.0041 -0.0104 -0.0064 4384 MET 971 HG1 0.0078 -0.0083 -0.0121 4385 MET 971 HG2 0.0058 -0.0057 -0.0107 4386 MET 971 HE1 0.0116 -0.0149 -0.0141 4387 MET 971 HE2 0.0103 -0.0096 -0.0147 4388 MET 971 HE3 0.0118 -0.0124 -0.0154 4389 ALA 972 N 0.0051 -0.0021 -0.0039 4390 ALA 972 HN 0.0035 0.0015 -0.0029 4391 ALA 972 CA 0.0000 -0.0038 0.0011 4392 ALA 972 C 0.0004 0.0024 -0.0001 4393 ALA 972 O -0.0023 0.0004 0.0027 4394 ALA 972 CB -0.0073 -0.0021 0.0078 4395 ALA 972 HA 0.0009 -0.0111 0.0014 4396 ALA 972 HB1 -0.0112 -0.0033 0.0116 4397 ALA 972 HB2 -0.0082 0.0051 0.0076 4398 ALA 972 HB3 -0.0078 -0.0069 0.0089 4399 ARG 973 N 0.0040 0.0101 -0.0046 4400 ARG 973 HN 0.0055 0.0120 -0.0063 4401 ARG 973 CA 0.0057 0.0158 -0.0070 4402 ARG 973 C 0.0107 0.0107 -0.0110 4403 ARG 973 O 0.0097 0.0114 -0.0102 4404 ARG 973 CB 0.0091 0.0245 -0.0115 4405 ARG 973 CG 0.0044 0.0318 -0.0081 4406 ARG 973 CD 0.0086 0.0391 -0.0131 4407 ARG 973 NE 0.0038 0.0476 -0.0098 4408 ARG 973 HE 0.0026 0.0526 -0.0094 4409 ARG 973 CZ 0.0010 0.0491 -0.0075 4410 ARG 973 NH1 0.0019 0.0426 -0.0073 4411 ARG 973 1HH1 -0.0003 0.0438 -0.0055 4412 ARG 973 2HH1 0.0048 0.0364 -0.0091 4413 ARG 973 NH2 -0.0028 0.0572 -0.0050 4414 ARG 973 1HH2 -0.0049 0.0584 -0.0032 4415 ARG 973 2HH2 -0.0034 0.0622 -0.0052 4416 ARG 973 HA 0.0009 0.0182 -0.0029 4417 ARG 973 HB1 0.0134 0.0220 -0.0152 4418 ARG 973 HB2 0.0110 0.0280 -0.0138 4419 ARG 973 HG1 0.0005 0.0354 -0.0050 4420 ARG 973 HG2 0.0017 0.0282 -0.0051 4421 ARG 973 HD1 0.0113 0.0360 -0.0152 4422 ARG 973 HD2 0.0124 0.0412 -0.0170 4423 ASP 974 N 0.0109 0.0020 -0.0062 4424 ASP 974 HN 0.0102 0.0019 -0.0056 4425 ASP 974 CA 0.0124 0.0003 -0.0086 4426 ASP 974 C 0.0110 -0.0030 -0.0091 4427 ASP 974 O 0.0113 -0.0040 -0.0100 4428 ASP 974 CB 0.0148 0.0016 -0.0104 4429 ASP 974 CG 0.0166 0.0002 -0.0129 4430 ASP 974 OD1 0.0160 -0.0017 -0.0133 4431 ASP 974 OD2 0.0186 0.0010 -0.0145 4432 ASP 974 HA 0.0128 0.0005 -0.0089 4433 ASP 974 HB1 0.0156 0.0040 -0.0097 4434 ASP 974 HB2 0.0145 0.0011 -0.0103 4435 PRO 975 N 0.0094 -0.0047 -0.0085 4436 PRO 975 CA 0.0075 -0.0074 -0.0082 4437 PRO 975 C 0.0084 -0.0100 -0.0105 4438 PRO 975 O 0.0076 -0.0117 -0.0107 4439 PRO 975 CB 0.0057 -0.0081 -0.0067 4440 PRO 975 CG 0.0071 -0.0066 -0.0073 4441 PRO 975 CD 0.0089 -0.0038 -0.0076 4442 PRO 975 HA 0.0067 -0.0070 -0.0071 4443 PRO 975 HB1 0.0049 -0.0105 -0.0073 4444 PRO 975 HB2 0.0042 -0.0073 -0.0048 4445 PRO 975 HG1 0.0079 -0.0079 -0.0089 4446 PRO 975 HG2 0.0059 -0.0060 -0.0058 4447 PRO 975 HD1 0.0106 -0.0031 -0.0088 4448 PRO 975 HD2 0.0082 -0.0020 -0.0058 4449 GLN 976 N 0.0089 -0.0095 -0.0106 4450 GLN 976 HN 0.0093 -0.0087 -0.0105 4451 GLN 976 CA 0.0086 -0.0097 -0.0116 4452 GLN 976 C 0.0083 -0.0099 -0.0125 4453 GLN 976 O 0.0080 -0.0101 -0.0134 4454 GLN 976 CB 0.0088 -0.0089 -0.0120 4455 GLN 976 CG 0.0092 -0.0077 -0.0120 4456 GLN 976 CD 0.0095 -0.0069 -0.0123 4457 GLN 976 NE2 0.0096 -0.0071 -0.0117 4458 GLN 976 1HE2 0.0097 -0.0066 -0.0118 4459 GLN 976 2HE2 0.0094 -0.0077 -0.0111 4460 GLN 976 OE1 0.0096 -0.0061 -0.0129 4461 GLN 976 HA 0.0084 -0.0105 -0.0114 4462 GLN 976 HB1 0.0086 -0.0090 -0.0128 4463 GLN 976 HB2 0.0089 -0.0089 -0.0114 4464 GLN 976 HG1 0.0095 -0.0075 -0.0113 4465 GLN 976 HG2 0.0091 -0.0075 -0.0127 4466 ARG 977 N 0.0083 -0.0100 -0.0122 4467 ARG 977 HN 0.0086 -0.0097 -0.0115 4468 ARG 977 CA 0.0080 -0.0104 -0.0129 4469 ARG 977 C 0.0076 -0.0116 -0.0128 4470 ARG 977 O 0.0072 -0.0122 -0.0135 4471 ARG 977 CB 0.0083 -0.0099 -0.0127 4472 ARG 977 CG 0.0080 -0.0100 -0.0135 4473 ARG 977 CD 0.0077 -0.0110 -0.0134 4474 ARG 977 NE 0.0076 -0.0107 -0.0140 4475 ARG 977 HE 0.0074 -0.0109 -0.0148 4476 ARG 977 CZ 0.0079 -0.0104 -0.0136 4477 ARG 977 NH1 0.0082 -0.0101 -0.0125 4478 ARG 977 1HH1 0.0084 -0.0098 -0.0122 4479 ARG 977 2HH1 0.0083 -0.0102 -0.0121 4480 ARG 977 NH2 0.0077 -0.0103 -0.0142 4481 ARG 977 1HH2 0.0079 -0.0100 -0.0138 4482 ARG 977 2HH2 0.0075 -0.0105 -0.0150 4483 ARG 977 HA 0.0079 -0.0102 -0.0138 4484 ARG 977 HB1 0.0086 -0.0091 -0.0125 4485 ARG 977 HB2 0.0083 -0.0103 -0.0119 4486 ARG 977 HG1 0.0078 -0.0100 -0.0143 4487 ARG 977 HG2 0.0083 -0.0093 -0.0135 4488 ARG 977 HD1 0.0078 -0.0112 -0.0125 4489 ARG 977 HD2 0.0073 -0.0117 -0.0137 4490 TYR 978 N 0.0053 -0.0081 -0.0098 4491 TYR 978 HN 0.0056 -0.0075 -0.0091 4492 TYR 978 CA 0.0047 -0.0096 -0.0094 4493 TYR 978 C 0.0043 -0.0105 -0.0093 4494 TYR 978 O 0.0038 -0.0117 -0.0093 4495 TYR 978 CB 0.0048 -0.0096 -0.0078 4496 TYR 978 CG 0.0051 -0.0090 -0.0080 4497 TYR 978 CD1 0.0058 -0.0076 -0.0075 4498 TYR 978 CD2 0.0047 -0.0098 -0.0085 4499 TYR 978 CE1 0.0060 -0.0071 -0.0077 4500 TYR 978 CE2 0.0050 -0.0092 -0.0087 4501 TYR 978 CZ 0.0056 -0.0078 -0.0082 4502 TYR 978 OH 0.0058 -0.0073 -0.0084 4503 TYR 978 HH 0.0056 -0.0078 -0.0088 4504 TYR 978 HA 0.0044 -0.0100 -0.0102 4505 TYR 978 HB1 0.0052 -0.0091 -0.0070 4506 TYR 978 HB2 0.0044 -0.0107 -0.0074 4507 TYR 978 HD1 0.0061 -0.0070 -0.0071 4508 TYR 978 HD2 0.0042 -0.0108 -0.0089 4509 TYR 978 HE1 0.0065 -0.0060 -0.0073 4510 TYR 978 HE2 0.0046 -0.0098 -0.0091 4511 LEU 979 N 0.0046 -0.0098 -0.0092 4512 LEU 979 HN 0.0051 -0.0088 -0.0091 4513 LEU 979 CA 0.0043 -0.0106 -0.0093 4514 LEU 979 C 0.0044 -0.0099 -0.0105 4515 LEU 979 O 0.0050 -0.0087 -0.0104 4516 LEU 979 CB 0.0044 -0.0107 -0.0078 4517 LEU 979 CG 0.0042 -0.0113 -0.0064 4518 LEU 979 CD1 0.0045 -0.0112 -0.0050 4519 LEU 979 CD2 0.0036 -0.0129 -0.0065 4520 LEU 979 HA 0.0038 -0.0117 -0.0096 4521 LEU 979 HB1 0.0049 -0.0097 -0.0075 4522 LEU 979 HB2 0.0041 -0.0114 -0.0080 4523 LEU 979 HG 0.0045 -0.0107 -0.0063 4524 LEU 979 1HD1 0.0044 -0.0117 -0.0040 4525 LEU 979 2HD1 0.0042 -0.0118 -0.0051 4526 LEU 979 3HD1 0.0050 -0.0101 -0.0048 4527 LEU 979 1HD2 0.0035 -0.0132 -0.0055 4528 LEU 979 2HD2 0.0034 -0.0129 -0.0075 4529 LEU 979 3HD2 0.0033 -0.0135 -0.0067 4530 VAL 980 N 0.0026 -0.0018 -0.0095 4531 VAL 980 HN 0.0027 -0.0023 -0.0096 4532 VAL 980 CA 0.0022 -0.0010 -0.0095 4533 VAL 980 C 0.0027 -0.0008 -0.0089 4534 VAL 980 O 0.0029 -0.0011 -0.0090 4535 VAL 980 CB 0.0016 -0.0011 -0.0100 4536 VAL 980 CG1 0.0012 -0.0003 -0.0100 4537 VAL 980 CG2 0.0011 -0.0015 -0.0105 4538 VAL 980 HA 0.0021 -0.0006 -0.0094 4539 VAL 980 HB 0.0018 -0.0016 -0.0101 4540 VAL 980 1HG1 0.0008 -0.0004 -0.0104 4541 VAL 980 2HG1 0.0011 0.0001 -0.0100 4542 VAL 980 3HG1 0.0016 -0.0001 -0.0096 4543 VAL 980 1HG2 0.0007 -0.0015 -0.0110 4544 VAL 980 2HG2 0.0014 -0.0020 -0.0106 4545 VAL 980 3HG2 0.0010 -0.0010 -0.0105 4546 ILE 981 N 0.0029 -0.0001 -0.0085 4547 ILE 981 HN 0.0028 0.0002 -0.0085 4548 ILE 981 CA 0.0034 0.0002 -0.0080 4549 ILE 981 C 0.0030 0.0010 -0.0080 4550 ILE 981 O 0.0027 0.0016 -0.0080 4551 ILE 981 CB 0.0040 0.0003 -0.0074 4552 ILE 981 CG1 0.0044 -0.0005 -0.0074 4553 ILE 981 CG2 0.0045 0.0007 -0.0069 4554 ILE 981 CD1 0.0050 -0.0004 -0.0069 4555 ILE 981 HA 0.0035 -0.0002 -0.0080 4556 ILE 981 HB 0.0038 0.0007 -0.0074 4557 ILE 981 1HG1 0.0046 -0.0009 -0.0074 4558 ILE 981 2HG1 0.0041 -0.0008 -0.0078 4559 ILE 981 1HG2 0.0049 0.0008 -0.0065 4560 ILE 981 2HG2 0.0046 0.0003 -0.0069 4561 ILE 981 3HG2 0.0042 0.0013 -0.0069 4562 ILE 981 1HD1 0.0052 -0.0011 -0.0069 4563 ILE 981 2HD1 0.0053 -0.0002 -0.0065 4564 ILE 981 3HD1 0.0048 -0.0001 -0.0069 4565 GLN 982 N -0.0038 0.0127 -0.0048 4566 GLN 982 HN -0.0008 0.0140 -0.0054 4567 GLN 982 CA -0.0050 0.0116 -0.0003 4568 GLN 982 C -0.0055 0.0111 0.0021 4569 GLN 982 O -0.0027 0.0119 0.0046 4570 GLN 982 CB -0.0018 0.0126 0.0021 4571 GLN 982 CG -0.0015 0.0130 -0.0003 4572 GLN 982 CD 0.0017 0.0139 0.0022 4573 GLN 982 NE2 0.0023 0.0144 0.0004 4574 GLN 982 1HE2 0.0008 0.0142 -0.0025 4575 GLN 982 2HE2 0.0045 0.0150 0.0020 4576 GLN 982 OE1 0.0036 0.0142 0.0056 4577 GLN 982 HA -0.0080 0.0105 -0.0005 4578 GLN 982 HB1 0.0013 0.0137 0.0021 4579 GLN 982 HB2 -0.0027 0.0117 0.0054 4580 GLN 982 HG1 -0.0045 0.0118 -0.0003 4581 GLN 982 HG2 -0.0005 0.0138 -0.0036 4582 GLY 983 N -0.0091 0.0098 0.0014 4583 GLY 983 HN -0.0114 0.0091 -0.0005 4584 GLY 983 CA -0.0098 0.0092 0.0032 4585 GLY 983 C -0.0135 0.0074 0.0059 4586 GLY 983 O -0.0143 0.0068 0.0079 4587 GLY 983 HA1 -0.0071 0.0100 0.0053 4588 GLY 983 HA2 -0.0102 0.0095 0.0005 4589 ASP 984 N -0.0330 0.0111 0.0141 4590 ASP 984 HN -0.0312 0.0155 0.0188 4591 ASP 984 CA -0.0253 0.0069 0.0093 4592 ASP 984 C -0.0220 0.0031 0.0052 4593 ASP 984 O -0.0246 0.0048 0.0070 4594 ASP 984 CB -0.0166 0.0105 0.0130 4595 ASP 984 CG -0.0201 0.0142 0.0170 4596 ASP 984 OD1 -0.0251 0.0109 0.0136 4597 ASP 984 OD2 -0.0174 0.0202 0.0233 4598 ASP 984 HA -0.0284 0.0033 0.0055 4599 ASP 984 HB1 -0.0134 0.0141 0.0168 4600 ASP 984 HB2 -0.0111 0.0069 0.0090 4601 GLU 985 N -0.0164 -0.0023 -0.0007 4602 GLU 985 HN -0.0140 -0.0032 -0.0018 4603 GLU 985 CA -0.0137 -0.0068 -0.0056 4604 GLU 985 C -0.0057 -0.0040 -0.0028 4605 GLU 985 O -0.0048 -0.0056 -0.0046 4606 GLU 985 CB -0.0106 -0.0134 -0.0127 4607 GLU 985 CG -0.0188 -0.0166 -0.0159 4608 GLU 985 CD -0.0157 -0.0231 -0.0230 4609 GLU 985 OE1 -0.0070 -0.0249 -0.0251 4610 GLU 985 OE2 -0.0220 -0.0262 -0.0262 4611 GLU 985 HA -0.0201 -0.0078 -0.0065 4612 GLU 985 HB1 -0.0042 -0.0125 -0.0119 4613 GLU 985 HB2 -0.0087 -0.0169 -0.0165 4614 GLU 985 HG1 -0.0251 -0.0177 -0.0169 4615 GLU 985 HG2 -0.0208 -0.0131 -0.0121 4616 ARG 986 N -0.0025 0.0096 0.0004 4617 ARG 986 HN -0.0027 0.0093 0.0000 4618 ARG 986 CA -0.0007 0.0107 0.0022 4619 ARG 986 C -0.0021 0.0130 0.0038 4620 ARG 986 O -0.0039 0.0140 0.0040 4621 ARG 986 CB 0.0012 0.0106 0.0030 4622 ARG 986 CG 0.0035 0.0116 0.0050 4623 ARG 986 CD 0.0051 0.0116 0.0056 4624 ARG 986 NE 0.0071 0.0128 0.0076 4625 ARG 986 HE 0.0065 0.0143 0.0088 4626 ARG 986 CZ 0.0097 0.0119 0.0079 4627 ARG 986 NH1 0.0107 0.0099 0.0064 4628 ARG 986 1HH1 0.0126 0.0092 0.0067 4629 ARG 986 2HH1 0.0095 0.0089 0.0050 4630 ARG 986 NH2 0.0113 0.0132 0.0098 4631 ARG 986 1HH2 0.0132 0.0125 0.0101 4632 ARG 986 2HH2 0.0105 0.0147 0.0110 4633 ARG 986 HA 0.0005 0.0099 0.0020 4634 ARG 986 HB1 0.0021 0.0090 0.0018 4635 ARG 986 HB2 0.0000 0.0114 0.0033 4636 ARG 986 HG1 0.0027 0.0133 0.0062 4637 ARG 986 HG2 0.0048 0.0108 0.0047 4638 ARG 986 HD1 0.0061 0.0099 0.0045 4639 ARG 986 HD2 0.0038 0.0123 0.0057 4640 MET 987 N -0.0012 0.0138 0.0050 4641 MET 987 HN 0.0003 0.0129 0.0048 4642 MET 987 CA -0.0022 0.0160 0.0067 4643 MET 987 C -0.0012 0.0174 0.0085 4644 MET 987 O 0.0011 0.0169 0.0090 4645 MET 987 CB -0.0015 0.0164 0.0073 4646 MET 987 CG -0.0030 0.0185 0.0087 4647 MET 987 SD -0.0023 0.0188 0.0093 4648 MET 987 CE -0.0044 0.0173 0.0069 4649 MET 987 HA -0.0044 0.0165 0.0061 4650 MET 987 HB1 -0.0020 0.0152 0.0059 4651 MET 987 HB2 0.0006 0.0163 0.0081 4652 MET 987 HG1 -0.0025 0.0198 0.0101 4653 MET 987 HG2 -0.0052 0.0187 0.0079 4654 MET 987 HE1 -0.0042 0.0173 0.0070 4655 MET 987 HE2 -0.0037 0.0157 0.0057 4656 MET 987 HE3 -0.0064 0.0180 0.0067 4657 HIS 988 N -0.0008 0.0114 0.0067 4658 HIS 988 HN 0.0009 0.0131 0.0060 4659 HIS 988 CA -0.0019 0.0098 0.0044 4660 HIS 988 C -0.0011 0.0107 0.0050 4661 HIS 988 O 0.0010 0.0129 0.0050 4662 HIS 988 CB -0.0010 0.0099 0.0006 4663 HIS 988 CG -0.0018 0.0088 -0.0002 4664 HIS 988 CD2 -0.0007 0.0099 -0.0004 4665 HIS 988 ND1 -0.0042 0.0063 -0.0008 4666 HIS 988 HD1 -0.0054 0.0050 -0.0007 4667 HIS 988 CE1 -0.0045 0.0058 -0.0014 4668 HIS 988 NE2 -0.0024 0.0080 -0.0012 4669 HIS 988 HE2 -0.0022 0.0081 -0.0016 4670 HIS 988 HA -0.0038 0.0079 0.0049 4671 HIS 988 HB1 0.0010 0.0118 0.0002 4672 HIS 988 HB2 -0.0016 0.0088 -0.0010 4673 HIS 988 HD2 0.0011 0.0119 -0.0001 4674 HIS 988 HE1 -0.0061 0.0040 -0.0020 4675 LEU 989 N -0.0029 0.0090 0.0055 4676 LEU 989 HN -0.0046 0.0072 0.0051 4677 LEU 989 CA -0.0025 0.0097 0.0065 4678 LEU 989 C -0.0025 0.0090 0.0036 4679 LEU 989 O -0.0044 0.0068 0.0024 4680 LEU 989 CB -0.0044 0.0084 0.0096 4681 LEU 989 CG -0.0044 0.0091 0.0127 4682 LEU 989 CD1 -0.0065 0.0076 0.0154 4683 LEU 989 CD2 -0.0019 0.0119 0.0141 4684 LEU 989 HA -0.0007 0.0117 0.0073 4685 LEU 989 HB1 -0.0061 0.0064 0.0088 4686 LEU 989 HB2 -0.0039 0.0090 0.0102 4687 LEU 989 HG -0.0047 0.0086 0.0120 4688 LEU 989 1HD1 -0.0065 0.0081 0.0177 4689 LEU 989 2HD1 -0.0063 0.0079 0.0161 4690 LEU 989 3HD1 -0.0082 0.0056 0.0145 4691 LEU 989 1HD2 -0.0021 0.0123 0.0163 4692 LEU 989 2HD2 -0.0005 0.0130 0.0122 4693 LEU 989 3HD2 -0.0016 0.0125 0.0148 4694 PRO 990 N 0.0092 -0.0160 -0.0049 4695 PRO 990 CA 0.0093 -0.0190 -0.0054 4696 PRO 990 C 0.0066 -0.0232 0.0043 4697 PRO 990 O 0.0047 -0.0188 0.0121 4698 PRO 990 CB 0.0102 -0.0089 -0.0076 4699 PRO 990 CG 0.0113 -0.0013 -0.0107 4700 PRO 990 CD 0.0097 -0.0050 -0.0054 4701 PRO 990 HA 0.0106 -0.0245 -0.0114 4702 PRO 990 HB1 0.0085 -0.0062 -0.0009 4703 PRO 990 HB2 0.0117 -0.0101 -0.0135 4704 PRO 990 HG1 0.0109 0.0065 -0.0084 4705 PRO 990 HG2 0.0133 -0.0015 -0.0187 4706 PRO 990 HD1 0.0079 -0.0017 0.0021 4707 PRO 990 HD2 0.0109 -0.0030 -0.0095 4708 SER 991 N 0.0065 -0.0311 0.0038 4709 SER 991 HN 0.0080 -0.0353 -0.0026 4710 SER 991 CA 0.0043 -0.0342 0.0118 4711 SER 991 C 0.0050 -0.0300 0.0097 4712 SER 991 O 0.0072 -0.0305 0.0013 4713 SER 991 CB 0.0036 -0.0460 0.0131 4714 SER 991 OG 0.0044 -0.0515 0.0092 4715 SER 991 HG 0.0039 -0.0587 0.0100 4716 SER 991 HA 0.0026 -0.0309 0.0188 4717 SER 991 HB1 0.0045 -0.0484 0.0092 4718 SER 991 HB2 0.0015 -0.0477 0.0210 4719 PRO 992 N 0.0305 -0.0225 -0.0043 4720 PRO 992 CA 0.0307 -0.0165 -0.0005 4721 PRO 992 C 0.0379 -0.0118 -0.0016 4722 PRO 992 O 0.0426 -0.0134 -0.0054 4723 PRO 992 CB 0.0283 -0.0190 -0.0007 4724 PRO 992 CG 0.0249 -0.0265 -0.0037 4725 PRO 992 CD 0.0291 -0.0284 -0.0073 4726 PRO 992 OXT 0.0388 -0.0063 0.0014 4727 PRO 992 HA 0.0271 -0.0140 0.0032 4728 PRO 992 HB1 0.0327 -0.0181 -0.0027 4729 PRO 992 HB2 0.0245 -0.0164 0.0031 4730 PRO 992 HG1 0.0254 -0.0292 -0.0057 4731 PRO 992 HG2 0.0195 -0.0275 -0.0011 4732 PRO 992 HD1 0.0339 -0.0292 -0.0106 4733 PRO 992 HD2 0.0261 -0.0329 -0.0085