1 VAL 1 N 0.0014 0.0144 0.0177 2 VAL 1 CA 0.0025 0.0133 0.0178 3 VAL 1 C 0.0014 0.0098 0.0145 4 VAL 1 O 0.0024 0.0071 0.0135 5 VAL 1 CB 0.0072 0.0119 0.0206 6 VAL 1 CG1 0.0084 0.0112 0.0211 7 VAL 1 CG2 0.0065 0.0145 0.0218 8 LEU 2 N 0.0009 0.0102 0.0144 9 LEU 2 CA 0.0007 0.0064 0.0116 10 LEU 2 C 0.0046 0.0030 0.0124 11 LEU 2 O 0.0057 0.0049 0.0146 12 LEU 2 CB -0.0017 0.0081 0.0109 13 LEU 2 CG -0.0053 0.0095 0.0090 14 LEU 2 CD1 -0.0074 0.0087 0.0067 15 LEU 2 CD2 -0.0074 0.0122 0.0092 16 SER 3 N 0.0049 0.0008 0.0113 17 SER 3 CA 0.0084 -0.0025 0.0118 18 SER 3 C 0.0076 -0.0032 0.0107 19 SER 3 O 0.0048 -0.0029 0.0086 20 SER 3 CB 0.0084 -0.0054 0.0098 21 SER 3 OG 0.0064 -0.0073 0.0069 22 PRO 4 N 0.0109 -0.0041 0.0142 23 PRO 4 CA 0.0089 -0.0034 0.0126 24 PRO 4 C 0.0073 -0.0063 0.0073 25 PRO 4 O 0.0039 -0.0054 0.0043 26 PRO 4 CB 0.0133 -0.0075 0.0129 27 PRO 4 CG 0.0160 -0.0062 0.0176 28 PRO 4 CD 0.0148 -0.0039 0.0190 29 ALA 5 N 0.0089 -0.0092 0.0055 30 ALA 5 CA 0.0074 -0.0115 0.0008 31 ALA 5 C 0.0024 -0.0085 -0.0013 32 ALA 5 O -0.0005 -0.0089 -0.0053 33 ALA 5 CB 0.0103 -0.0153 -0.0004 34 ASP 6 N 0.0013 -0.0052 0.0015 35 ASP 6 CA -0.0034 -0.0018 0.0002 36 ASP 6 C -0.0059 -0.0000 -0.0006 37 ASP 6 O -0.0097 0.0005 -0.0044 38 ASP 6 CB -0.0038 0.0012 0.0033 39 ASP 6 CG -0.0020 -0.0006 0.0033 40 ASP 6 OD1 -0.0024 -0.0031 -0.0003 41 ASP 6 OD2 -0.0004 0.0012 0.0074 42 LYS 7 N -0.0033 0.0037 0.0005 43 LYS 7 CA -0.0059 0.0032 -0.0010 44 LYS 7 C -0.0070 0.0010 -0.0041 45 LYS 7 O -0.0099 0.0009 -0.0051 46 LYS 7 CB -0.0045 0.0045 0.0011 47 LYS 7 CG -0.0035 0.0067 0.0042 48 LYS 7 CD -0.0015 0.0076 0.0059 49 LYS 7 CE 0.0001 0.0093 0.0086 50 LYS 7 NZ 0.0012 0.0097 0.0094 51 THR 8 N -0.0036 -0.0007 -0.0053 52 THR 8 CA -0.0045 -0.0030 -0.0084 53 THR 8 C -0.0071 -0.0036 -0.0099 54 THR 8 O -0.0094 -0.0045 -0.0119 55 THR 8 CB -0.0003 -0.0047 -0.0093 56 THR 8 OG1 0.0014 -0.0043 -0.0082 57 THR 8 CG2 -0.0009 -0.0067 -0.0120 58 ASN 9 N -0.0069 -0.0026 -0.0086 59 ASN 9 CA -0.0091 -0.0028 -0.0096 60 ASN 9 C -0.0134 -0.0018 -0.0096 61 ASN 9 O -0.0156 -0.0025 -0.0111 62 ASN 9 CB -0.0082 -0.0020 -0.0082 63 ASN 9 CG -0.0047 -0.0035 -0.0091 64 ASN 9 OD1 -0.0037 -0.0055 -0.0114 65 ASN 9 ND2 -0.0033 -0.0028 -0.0078 66 VAL 10 N -0.0075 0.0010 -0.0051 67 VAL 10 CA -0.0097 0.0007 -0.0043 68 VAL 10 C -0.0111 0.0001 -0.0063 69 VAL 10 O -0.0126 -0.0002 -0.0066 70 VAL 10 CB -0.0099 0.0011 -0.0024 71 VAL 10 CG1 -0.0121 0.0008 -0.0019 72 VAL 10 CG2 -0.0088 0.0016 -0.0008 73 LYS 11 N -0.0104 0.0001 -0.0071 74 LYS 11 CA -0.0119 -0.0005 -0.0086 75 LYS 11 C -0.0117 -0.0008 -0.0105 76 LYS 11 O -0.0134 -0.0013 -0.0115 77 LYS 11 CB -0.0112 -0.0005 -0.0094 78 LYS 11 CG -0.0114 -0.0003 -0.0081 79 LYS 11 CD -0.0112 -0.0004 -0.0088 80 LYS 11 CE -0.0124 -0.0002 -0.0065 81 LYS 11 NZ -0.0112 -0.0000 -0.0069 82 ALA 12 N -0.0101 -0.0006 -0.0107 83 ALA 12 CA -0.0105 -0.0011 -0.0126 84 ALA 12 C -0.0108 -0.0010 -0.0121 85 ALA 12 O -0.0124 -0.0015 -0.0132 86 ALA 12 CB -0.0081 -0.0007 -0.0130 87 ALA 13 N -0.0057 0.0023 -0.0071 88 ALA 13 CA -0.0051 0.0017 -0.0050 89 ALA 13 C -0.0072 -0.0011 -0.0044 90 ALA 13 O -0.0071 -0.0015 -0.0036 91 ALA 13 CB -0.0037 0.0018 -0.0022 92 TRP 14 N -0.0085 -0.0025 -0.0048 93 TRP 14 CA -0.0103 -0.0050 -0.0042 94 TRP 14 C -0.0118 -0.0053 -0.0068 95 TRP 14 O -0.0127 -0.0068 -0.0062 96 TRP 14 CB -0.0116 -0.0068 -0.0039 97 TRP 14 CG -0.0125 -0.0087 -0.0027 98 TRP 14 CD1 -0.0151 -0.0109 -0.0041 99 TRP 14 CD2 -0.0121 -0.0099 0.0004 100 TRP 14 NE1 -0.0154 -0.0129 -0.0014 101 TRP 14 CE2 -0.0142 -0.0128 0.0008 102 TRP 14 CE3 -0.0104 -0.0092 0.0028 103 TRP 14 CZ2 -0.0140 -0.0139 0.0031 104 TRP 14 CZ3 -0.0107 -0.0111 0.0053 105 TRP 14 CH2 -0.0126 -0.0133 0.0051 106 GLY 15 N -0.0113 -0.0034 -0.0091 107 GLY 15 CA -0.0129 -0.0040 -0.0113 108 GLY 15 C -0.0114 -0.0030 -0.0101 109 GLY 15 O -0.0133 -0.0046 -0.0112 110 LYS 16 N -0.0108 0.0015 -0.0124 111 LYS 16 CA -0.0082 0.0026 -0.0083 112 LYS 16 C -0.0074 -0.0015 -0.0053 113 LYS 16 O -0.0063 -0.0017 -0.0034 114 LYS 16 CB -0.0059 0.0066 -0.0058 115 LYS 16 CG -0.0039 0.0081 -0.0029 116 LYS 16 CD -0.0058 0.0118 -0.0076 117 LYS 16 CE -0.0030 0.0107 -0.0023 118 LYS 16 NZ -0.0004 0.0130 0.0013 119 VAL 17 N -0.0078 -0.0050 -0.0047 120 VAL 17 CA -0.0070 -0.0084 -0.0019 121 VAL 17 C -0.0082 -0.0125 -0.0025 122 VAL 17 O -0.0072 -0.0124 -0.0008 123 VAL 17 CB -0.0066 -0.0108 -0.0004 124 VAL 17 CG1 -0.0070 -0.0158 0.0009 125 VAL 17 CG2 -0.0048 -0.0083 0.0018 126 GLY 18 N -0.0108 -0.0119 -0.0073 127 GLY 18 CA -0.0125 -0.0138 -0.0095 128 GLY 18 C -0.0122 -0.0197 -0.0067 129 GLY 18 O -0.0128 -0.0222 -0.0068 130 ALA 19 N 0.0021 -0.0231 -0.0039 131 ALA 19 CA 0.0008 -0.0262 -0.0038 132 ALA 19 C -0.0014 -0.0255 0.0002 133 ALA 19 O -0.0032 -0.0274 0.0020 134 ALA 19 CB -0.0003 -0.0300 -0.0043 135 HIS 20 N -0.0015 -0.0226 0.0021 136 HIS 20 CA -0.0034 -0.0218 0.0057 137 HIS 20 C -0.0029 -0.0194 0.0063 138 HIS 20 O -0.0044 -0.0181 0.0094 139 HIS 20 CB -0.0033 -0.0195 0.0068 140 HIS 20 CG -0.0039 -0.0207 0.0070 141 HIS 20 ND1 -0.0061 -0.0246 0.0083 142 HIS 20 CD2 -0.0022 -0.0214 0.0039 143 HIS 20 CE1 -0.0054 -0.0248 0.0071 144 HIS 20 NE2 -0.0039 -0.0236 0.0053 145 ALA 21 N -0.0015 -0.0191 0.0041 146 ALA 21 CA -0.0006 -0.0161 0.0045 147 ALA 21 C -0.0037 -0.0171 0.0089 148 ALA 21 O -0.0031 -0.0145 0.0096 149 ALA 21 CB 0.0014 -0.0154 0.0018 150 GLY 22 N 0.0022 -0.0148 0.0046 151 GLY 22 CA -0.0003 -0.0146 0.0064 152 GLY 22 C -0.0018 -0.0143 0.0077 153 GLY 22 O -0.0037 -0.0136 0.0095 154 GLU 23 N -0.0029 -0.0160 0.0073 155 GLU 23 CA -0.0048 -0.0159 0.0087 156 GLU 23 C -0.0039 -0.0132 0.0098 157 GLU 23 O -0.0054 -0.0123 0.0115 158 GLU 23 CB -0.0046 -0.0181 0.0071 159 GLU 23 CG -0.0067 -0.0185 0.0084 160 GLU 23 CD -0.0065 -0.0215 0.0062 161 GLU 23 OE1 -0.0053 -0.0193 0.0068 162 GLU 23 OE2 -0.0052 -0.0227 0.0045 163 TYR 24 N -0.0015 -0.0124 0.0087 164 TYR 24 CA -0.0006 -0.0101 0.0096 165 TYR 24 C -0.0007 -0.0082 0.0109 166 TYR 24 O -0.0012 -0.0062 0.0125 167 TYR 24 CB 0.0023 -0.0094 0.0080 168 TYR 24 CG 0.0024 -0.0111 0.0069 169 TYR 24 CD1 0.0046 -0.0109 0.0055 170 TYR 24 CD2 0.0005 -0.0128 0.0071 171 TYR 24 CE1 0.0046 -0.0126 0.0044 172 TYR 24 CE2 0.0004 -0.0145 0.0060 173 TYR 24 CZ 0.0030 -0.0140 0.0045 174 TYR 24 OH 0.0030 -0.0159 0.0033 175 GLY 25 N -0.0015 0.0002 0.0050 176 GLY 25 CA -0.0018 0.0006 0.0060 177 GLY 25 C -0.0025 0.0008 0.0063 178 GLY 25 O -0.0026 0.0012 0.0071 179 ALA 26 N -0.0035 0.0005 0.0059 180 ALA 26 CA -0.0042 0.0005 0.0061 181 ALA 26 C -0.0041 0.0007 0.0064 182 ALA 26 O -0.0043 0.0009 0.0070 183 ALA 26 CB -0.0051 0.0002 0.0056 184 GLU 27 N -0.0034 0.0003 0.0056 185 GLU 27 CA -0.0030 0.0004 0.0057 186 GLU 27 C -0.0023 0.0009 0.0066 187 GLU 27 O -0.0025 0.0011 0.0070 188 GLU 27 CB -0.0025 -0.0000 0.0048 189 GLU 27 CG -0.0021 0.0000 0.0048 190 GLU 27 CD -0.0015 -0.0004 0.0038 191 GLU 27 OE1 -0.0008 -0.0003 0.0040 192 GLU 27 OE2 -0.0017 -0.0008 0.0031 193 ALA 28 N -0.0024 0.0077 0.0023 194 ALA 28 CA -0.0021 0.0078 0.0026 195 ALA 28 C -0.0024 0.0083 0.0027 196 ALA 28 O -0.0025 0.0085 0.0028 197 ALA 28 CB -0.0016 0.0077 0.0031 198 LEU 29 N -0.0026 0.0087 0.0029 199 LEU 29 CA -0.0030 0.0093 0.0030 200 LEU 29 C -0.0035 0.0093 0.0026 201 LEU 29 O -0.0036 0.0096 0.0026 202 LEU 29 CB -0.0032 0.0098 0.0032 203 LEU 29 CG -0.0027 0.0098 0.0036 204 LEU 29 CD1 -0.0030 0.0102 0.0036 205 LEU 29 CD2 -0.0026 0.0102 0.0040 206 GLU 30 N -0.0037 0.0091 0.0021 207 GLU 30 CA -0.0041 0.0090 0.0017 208 GLU 30 C -0.0040 0.0088 0.0016 209 GLU 30 O -0.0043 0.0089 0.0015 210 GLU 30 CB -0.0044 0.0088 0.0013 211 GLU 30 CG -0.0047 0.0087 0.0009 212 GLU 30 CD -0.0051 0.0085 0.0003 213 GLU 30 OE1 -0.0049 0.0083 0.0004 214 GLU 30 OE2 -0.0056 0.0088 0.0000 215 ARG 31 N -0.0016 0.0088 -0.0020 216 ARG 31 CA -0.0019 0.0082 -0.0023 217 ARG 31 C -0.0018 0.0088 -0.0024 218 ARG 31 O -0.0024 0.0086 -0.0030 219 ARG 31 CB -0.0016 0.0073 -0.0018 220 ARG 31 CG -0.0018 0.0066 -0.0019 221 ARG 31 CD -0.0015 0.0058 -0.0013 222 ARG 31 NE -0.0016 0.0049 -0.0013 223 ARG 31 CZ -0.0021 0.0044 -0.0019 224 ARG 31 NH1 -0.0026 0.0044 -0.0024 225 ARG 31 NH2 -0.0022 0.0039 -0.0018 226 MET 32 N -0.0013 0.0093 -0.0018 227 MET 32 CA -0.0013 0.0098 -0.0019 228 MET 32 C -0.0017 0.0106 -0.0025 229 MET 32 O -0.0020 0.0107 -0.0029 230 MET 32 CB -0.0006 0.0103 -0.0012 231 MET 32 CG -0.0004 0.0109 -0.0010 232 MET 32 SD 0.0004 0.0115 -0.0002 233 MET 32 CE 0.0003 0.0123 -0.0005 234 PHE 33 N -0.0017 0.0111 -0.0026 235 PHE 33 CA -0.0021 0.0119 -0.0033 236 PHE 33 C -0.0027 0.0117 -0.0040 237 PHE 33 O -0.0031 0.0120 -0.0045 238 PHE 33 CB -0.0020 0.0124 -0.0033 239 PHE 33 CG -0.0014 0.0130 -0.0026 240 PHE 33 CD1 -0.0010 0.0134 -0.0023 241 PHE 33 CD2 -0.0011 0.0130 -0.0024 242 PHE 33 CE1 -0.0004 0.0140 -0.0016 243 PHE 33 CE2 -0.0004 0.0135 -0.0016 244 PHE 33 CZ -0.0002 0.0139 -0.0013 245 LEU 34 N -0.0017 0.0113 -0.0058 246 LEU 34 CA -0.0023 0.0107 -0.0073 247 LEU 34 C -0.0021 0.0096 -0.0072 248 LEU 34 O -0.0026 0.0095 -0.0082 249 LEU 34 CB -0.0025 0.0099 -0.0079 250 LEU 34 CG -0.0028 0.0105 -0.0084 251 LEU 34 CD1 -0.0029 0.0098 -0.0087 252 LEU 34 CD2 -0.0033 0.0119 -0.0090 253 SER 35 N -0.0015 0.0086 -0.0060 254 SER 35 CA -0.0014 0.0075 -0.0062 255 SER 35 C -0.0012 0.0081 -0.0057 256 SER 35 O -0.0013 0.0075 -0.0061 257 SER 35 CB -0.0007 0.0063 -0.0051 258 SER 35 OG -0.0009 0.0053 -0.0057 259 PHE 36 N -0.0009 0.0093 -0.0047 260 PHE 36 CA -0.0007 0.0101 -0.0041 261 PHE 36 C -0.0010 0.0118 -0.0042 262 PHE 36 O -0.0005 0.0127 -0.0030 263 PHE 36 CB 0.0000 0.0097 -0.0026 264 PHE 36 CG 0.0005 0.0080 -0.0022 265 PHE 36 CD1 0.0007 0.0073 -0.0018 266 PHE 36 CD2 0.0003 0.0070 -0.0028 267 PHE 36 CE1 0.0010 0.0057 -0.0017 268 PHE 36 CE2 0.0006 0.0054 -0.0026 269 PHE 36 CZ 0.0009 0.0048 -0.0022 270 PRO 37 N 0.0014 0.0100 -0.0034 271 PRO 37 CA 0.0008 0.0086 -0.0030 272 PRO 37 C 0.0006 0.0082 -0.0031 273 PRO 37 O 0.0001 0.0070 -0.0032 274 PRO 37 CB 0.0008 0.0086 -0.0015 275 PRO 37 CG 0.0013 0.0099 -0.0011 276 PRO 37 CD 0.0017 0.0107 -0.0025 277 THR 38 N 0.0010 0.0091 -0.0033 278 THR 38 CA 0.0008 0.0085 -0.0035 279 THR 38 C 0.0005 0.0078 -0.0048 280 THR 38 O 0.0002 0.0071 -0.0051 281 THR 38 CB 0.0013 0.0097 -0.0035 282 THR 38 OG1 0.0017 0.0106 -0.0044 283 THR 38 CG2 0.0015 0.0102 -0.0020 284 THR 39 N 0.0006 0.0080 -0.0058 285 THR 39 CA 0.0003 0.0073 -0.0072 286 THR 39 C -0.0003 0.0058 -0.0070 287 THR 39 O -0.0005 0.0052 -0.0079 288 THR 39 CB 0.0006 0.0079 -0.0081 289 THR 39 OG1 0.0006 0.0079 -0.0078 290 THR 39 CG2 0.0012 0.0093 -0.0085 291 LYS 40 N 0.0016 0.0026 -0.0070 292 LYS 40 CA 0.0002 0.0016 -0.0072 293 LYS 40 C -0.0011 0.0001 -0.0060 294 LYS 40 O -0.0023 -0.0008 -0.0060 295 LYS 40 CB 0.0009 0.0016 -0.0061 296 LYS 40 CG 0.0016 0.0028 -0.0074 297 LYS 40 CD 0.0021 0.0028 -0.0066 298 LYS 40 CE 0.0034 0.0030 -0.0051 299 LYS 40 NZ 0.0040 0.0031 -0.0044 300 THR 41 N -0.0004 -0.0000 -0.0048 301 THR 41 CA -0.0014 -0.0014 -0.0036 302 THR 41 C -0.0028 -0.0018 -0.0048 303 THR 41 O -0.0041 -0.0031 -0.0042 304 THR 41 CB -0.0002 -0.0012 -0.0022 305 THR 41 OG1 0.0002 -0.0004 -0.0032 306 THR 41 CG2 0.0011 -0.0009 -0.0008 307 TYR 42 N -0.0031 -0.0011 -0.0066 308 TYR 42 CA -0.0045 -0.0017 -0.0077 309 TYR 42 C -0.0060 -0.0021 -0.0089 310 TYR 42 O -0.0073 -0.0026 -0.0099 311 TYR 42 CB -0.0041 -0.0004 -0.0093 312 TYR 42 CG -0.0032 -0.0003 -0.0083 313 TYR 42 CD1 -0.0040 -0.0011 -0.0079 314 TYR 42 CD2 -0.0013 0.0008 -0.0077 315 TYR 42 CE1 -0.0028 -0.0008 -0.0068 316 TYR 42 CE2 -0.0004 0.0010 -0.0069 317 TYR 42 CZ -0.0012 0.0002 -0.0064 318 TYR 42 OH -0.0003 0.0004 -0.0055 319 PHE 43 N -0.0056 0.0004 -0.0118 320 PHE 43 CA -0.0055 -0.0010 -0.0114 321 PHE 43 C -0.0047 -0.0033 -0.0089 322 PHE 43 O -0.0042 -0.0032 -0.0075 323 PHE 43 CB -0.0054 0.0014 -0.0114 324 PHE 43 CG -0.0064 0.0034 -0.0144 325 PHE 43 CD1 -0.0063 0.0061 -0.0147 326 PHE 43 CD2 -0.0073 0.0029 -0.0168 327 PHE 43 CE1 -0.0072 0.0078 -0.0172 328 PHE 43 CE2 -0.0083 0.0047 -0.0196 329 PHE 43 CZ -0.0080 0.0074 -0.0194 330 PRO 44 N -0.0046 -0.0052 -0.0083 331 PRO 44 CA -0.0037 -0.0068 -0.0056 332 PRO 44 C -0.0041 -0.0101 -0.0062 333 PRO 44 O -0.0034 -0.0112 -0.0042 334 PRO 44 CB -0.0038 -0.0084 -0.0056 335 PRO 44 CG -0.0050 -0.0088 -0.0086 336 PRO 44 CD -0.0053 -0.0057 -0.0100 337 HIS 45 N -0.0051 -0.0104 -0.0087 338 HIS 45 CA -0.0055 -0.0127 -0.0095 339 HIS 45 C -0.0055 -0.0117 -0.0095 340 HIS 45 O -0.0059 -0.0131 -0.0103 341 HIS 45 CB -0.0067 -0.0137 -0.0124 342 HIS 45 CG -0.0077 -0.0119 -0.0154 343 HIS 45 ND1 -0.0073 -0.0090 -0.0148 344 HIS 45 CD2 -0.0085 -0.0115 -0.0176 345 HIS 45 CE1 -0.0082 -0.0074 -0.0174 346 HIS 45 NE2 -0.0089 -0.0090 -0.0191 347 PHE 46 N -0.0024 -0.0009 -0.0097 348 PHE 46 CA -0.0024 0.0001 -0.0076 349 PHE 46 C -0.0012 0.0001 -0.0042 350 PHE 46 O -0.0015 0.0010 -0.0031 351 PHE 46 CB -0.0048 0.0032 -0.0083 352 PHE 46 CG -0.0055 0.0031 -0.0106 353 PHE 46 CD1 -0.0073 0.0055 -0.0108 354 PHE 46 CD2 -0.0051 0.0014 -0.0127 355 PHE 46 CE1 -0.0082 0.0058 -0.0131 356 PHE 46 CE2 -0.0059 0.0013 -0.0155 357 PHE 46 CZ -0.0076 0.0035 -0.0161 358 ASP 47 N -0.0005 0.0000 -0.0022 359 ASP 47 CA -0.0000 0.0011 0.0014 360 ASP 47 C -0.0024 0.0048 0.0020 361 ASP 47 O -0.0030 0.0053 0.0012 362 ASP 47 CB 0.0015 -0.0002 0.0032 363 ASP 47 CG 0.0021 0.0009 0.0071 364 ASP 47 OD1 0.0014 0.0024 0.0084 365 ASP 47 OD2 0.0028 0.0003 0.0081 366 LEU 48 N -0.0029 0.0058 0.0026 367 LEU 48 CA -0.0047 0.0087 0.0032 368 LEU 48 C -0.0047 0.0105 0.0069 369 LEU 48 O -0.0063 0.0129 0.0071 370 LEU 48 CB -0.0063 0.0101 0.0014 371 LEU 48 CG -0.0070 0.0094 -0.0022 372 LEU 48 CD1 -0.0080 0.0104 -0.0032 373 LEU 48 CD2 -0.0080 0.0098 -0.0042 374 SER 49 N -0.0083 0.0096 0.0214 375 SER 49 CA -0.0087 0.0093 0.0223 376 SER 49 C -0.0074 0.0102 0.0191 377 SER 49 O -0.0069 0.0095 0.0160 378 SER 49 CB -0.0105 0.0071 0.0242 379 SER 49 OG -0.0111 0.0051 0.0224 380 HIS 50 N -0.0067 0.0116 0.0197 381 HIS 50 CA -0.0056 0.0120 0.0163 382 HIS 50 C -0.0063 0.0097 0.0138 383 HIS 50 O -0.0081 0.0072 0.0152 384 HIS 50 CB -0.0053 0.0132 0.0177 385 HIS 50 CG -0.0044 0.0135 0.0148 386 HIS 50 ND1 -0.0025 0.0160 0.0132 387 HIS 50 CD2 -0.0046 0.0131 0.0149 388 HIS 50 CE1 -0.0020 0.0157 0.0105 389 HIS 50 NE2 -0.0034 0.0136 0.0114 390 GLY 51 N -0.0059 0.0093 0.0114 391 GLY 51 CA -0.0063 0.0073 0.0084 392 GLY 51 C -0.0076 0.0048 0.0079 393 GLY 51 O -0.0084 0.0027 0.0063 394 SER 52 N -0.0072 0.0075 0.0136 395 SER 52 CA -0.0047 0.0053 0.0111 396 SER 52 C -0.0047 0.0053 0.0100 397 SER 52 O -0.0061 0.0064 0.0085 398 SER 52 CB -0.0047 0.0053 0.0091 399 SER 52 OG -0.0058 0.0061 0.0063 400 ALA 53 N -0.0022 0.0032 0.0094 401 ALA 53 CA -0.0019 0.0029 0.0079 402 ALA 53 C -0.0026 0.0033 0.0041 403 ALA 53 O -0.0034 0.0040 0.0029 404 ALA 53 CB 0.0011 0.0004 0.0074 405 GLN 54 N -0.0027 0.0034 0.0026 406 GLN 54 CA -0.0034 0.0038 -0.0007 407 GLN 54 C -0.0064 0.0063 -0.0008 408 GLN 54 O -0.0069 0.0066 -0.0033 409 GLN 54 CB -0.0030 0.0035 -0.0018 410 GLN 54 CG -0.0003 0.0012 -0.0028 411 GLN 54 CD 0.0003 0.0008 -0.0031 412 GLN 54 OE1 0.0003 0.0008 -0.0009 413 GLN 54 NE2 0.0022 -0.0009 -0.0054 414 VAL 55 N -0.0057 0.0071 0.0017 415 VAL 55 CA -0.0072 0.0070 0.0020 416 VAL 55 C -0.0068 0.0061 0.0032 417 VAL 55 O -0.0067 0.0062 0.0031 418 VAL 55 CB -0.0093 0.0071 0.0022 419 VAL 55 CG1 -0.0109 0.0068 0.0027 420 VAL 55 CG2 -0.0098 0.0083 0.0007 421 LYS 56 N -0.0062 0.0049 0.0047 422 LYS 56 CA -0.0053 0.0040 0.0058 423 LYS 56 C -0.0042 0.0043 0.0053 424 LYS 56 O -0.0037 0.0039 0.0057 425 LYS 56 CB -0.0051 0.0027 0.0076 426 LYS 56 CG -0.0071 0.0025 0.0080 427 LYS 56 CD -0.0059 0.0007 0.0102 428 LYS 56 CE -0.0080 0.0002 0.0111 429 LYS 56 NZ -0.0070 -0.0011 0.0128 430 GLY 57 N -0.0022 0.0047 0.0045 431 GLY 57 CA -0.0005 0.0050 0.0038 432 GLY 57 C -0.0011 0.0061 0.0025 433 GLY 57 O -0.0003 0.0058 0.0028 434 HIS 58 N 0.0014 0.0024 0.0020 435 HIS 58 CA -0.0006 0.0032 -0.0005 436 HIS 58 C -0.0046 0.0009 0.0022 437 HIS 58 O -0.0041 0.0012 0.0018 438 HIS 58 CB -0.0026 0.0047 -0.0046 439 HIS 58 CG -0.0038 0.0059 -0.0077 440 HIS 58 ND1 -0.0009 0.0071 -0.0087 441 HIS 58 CD2 -0.0077 0.0059 -0.0097 442 HIS 58 CE1 -0.0040 0.0073 -0.0108 443 HIS 58 NE2 -0.0076 0.0069 -0.0117 444 GLY 59 N -0.0066 -0.0003 0.0038 445 GLY 59 CA -0.0098 -0.0024 0.0065 446 GLY 59 C -0.0083 -0.0035 0.0096 447 GLY 59 O -0.0094 -0.0042 0.0103 448 LYS 60 N -0.0041 -0.0035 0.0116 449 LYS 60 CA -0.0015 -0.0043 0.0144 450 LYS 60 C -0.0001 -0.0034 0.0133 451 LYS 60 O -0.0001 -0.0040 0.0145 452 LYS 60 CB 0.0026 -0.0048 0.0173 453 LYS 60 CG 0.0051 -0.0055 0.0201 454 LYS 60 CD 0.0083 -0.0058 0.0222 455 LYS 60 CE 0.0116 -0.0068 0.0259 456 LYS 60 NZ 0.0154 -0.0067 0.0274 457 LYS 61 N -0.0004 -0.0017 0.0078 458 LYS 61 CA 0.0009 -0.0007 0.0073 459 LYS 61 C -0.0020 -0.0016 0.0060 460 LYS 61 O -0.0010 -0.0019 0.0076 461 LYS 61 CB 0.0023 0.0021 0.0039 462 LYS 61 CG 0.0060 0.0039 0.0045 463 LYS 61 CD 0.0069 0.0064 0.0012 464 LYS 61 CE 0.0086 0.0074 0.0012 465 LYS 61 NZ 0.0103 0.0103 -0.0021 466 VAL 62 N -0.0047 -0.0023 0.0047 467 VAL 62 CA -0.0076 -0.0035 0.0039 468 VAL 62 C -0.0087 -0.0063 0.0074 469 VAL 62 O -0.0085 -0.0064 0.0078 470 VAL 62 CB -0.0105 -0.0039 0.0017 471 VAL 62 CG1 -0.0137 -0.0051 0.0007 472 VAL 62 CG2 -0.0097 -0.0014 -0.0018 473 ALA 63 N -0.0085 -0.0071 0.0090 474 ALA 63 CA -0.0092 -0.0095 0.0124 475 ALA 63 C -0.0067 -0.0096 0.0148 476 ALA 63 O -0.0072 -0.0108 0.0163 477 ALA 63 CB -0.0103 -0.0109 0.0136 478 ASP 64 N -0.0050 -0.0077 0.0117 479 ASP 64 CA -0.0051 -0.0077 0.0110 480 ASP 64 C -0.0060 -0.0076 0.0088 481 ASP 64 O -0.0069 -0.0072 0.0086 482 ASP 64 CB -0.0029 -0.0089 0.0106 483 ASP 64 CG -0.0014 -0.0092 0.0132 484 ASP 64 OD1 -0.0029 -0.0083 0.0147 485 ASP 64 OD2 0.0003 -0.0101 0.0126 486 ALA 65 N -0.0059 -0.0079 0.0073 487 ALA 65 CA -0.0072 -0.0075 0.0055 488 ALA 65 C -0.0096 -0.0063 0.0058 489 ALA 65 O -0.0103 -0.0062 0.0046 490 ALA 65 CB -0.0068 -0.0079 0.0038 491 LEU 66 N -0.0100 -0.0060 0.0073 492 LEU 66 CA -0.0121 -0.0049 0.0076 493 LEU 66 C -0.0124 -0.0046 0.0087 494 LEU 66 O -0.0139 -0.0040 0.0080 495 LEU 66 CB -0.0126 -0.0045 0.0090 496 LEU 66 CG -0.0129 -0.0045 0.0080 497 LEU 66 CD1 -0.0131 -0.0042 0.0096 498 LEU 66 CD2 -0.0143 -0.0041 0.0061 499 THR 67 N -0.0150 -0.0065 0.0092 500 THR 67 CA -0.0138 -0.0082 0.0075 501 THR 67 C -0.0118 -0.0078 0.0045 502 THR 67 O -0.0105 -0.0065 0.0025 503 THR 67 CB -0.0143 -0.0113 0.0083 504 THR 67 OG1 -0.0156 -0.0118 0.0102 505 THR 67 CG2 -0.0126 -0.0130 0.0058 506 ASN 68 N -0.0116 -0.0081 0.0042 507 ASN 68 CA -0.0098 -0.0074 0.0015 508 ASN 68 C -0.0093 -0.0043 0.0008 509 ASN 68 O -0.0077 -0.0033 -0.0017 510 ASN 68 CB -0.0098 -0.0080 0.0016 511 ASN 68 CG -0.0081 -0.0073 -0.0010 512 ASN 68 OD1 -0.0068 -0.0080 -0.0029 513 ASN 68 ND2 -0.0080 -0.0070 -0.0010 514 ALA 69 N -0.0106 -0.0016 0.0026 515 ALA 69 CA -0.0099 0.0016 0.0015 516 ALA 69 C -0.0096 0.0023 0.0009 517 ALA 69 O -0.0085 0.0040 -0.0006 518 ALA 69 CB -0.0115 0.0033 0.0038 519 VAL 70 N -0.0136 -0.0000 0.0014 520 VAL 70 CA -0.0114 -0.0003 -0.0007 521 VAL 70 C -0.0087 -0.0023 -0.0041 522 VAL 70 O -0.0059 -0.0007 -0.0057 523 VAL 70 CB -0.0136 -0.0026 0.0002 524 VAL 70 CG1 -0.0125 -0.0039 -0.0015 525 VAL 70 CG2 -0.0160 -0.0003 0.0034 526 ALA 71 N -0.0092 -0.0050 -0.0050 527 ALA 71 CA -0.0066 -0.0070 -0.0083 528 ALA 71 C -0.0046 -0.0042 -0.0086 529 ALA 71 O -0.0014 -0.0048 -0.0118 530 ALA 71 CB -0.0084 -0.0101 -0.0081 531 HIS 72 N -0.0045 -0.0010 -0.0072 532 HIS 72 CA -0.0021 0.0016 -0.0080 533 HIS 72 C -0.0014 0.0055 -0.0067 534 HIS 72 O -0.0013 0.0086 -0.0053 535 HIS 72 CB -0.0031 0.0018 -0.0070 536 HIS 72 CG -0.0038 -0.0021 -0.0084 537 HIS 72 ND1 -0.0014 -0.0045 -0.0117 538 HIS 72 CD2 -0.0061 -0.0059 -0.0082 539 HIS 72 CE1 -0.0018 -0.0085 -0.0133 540 HIS 72 NE2 -0.0053 -0.0099 -0.0109 541 VAL 73 N -0.0037 0.0033 -0.0025 542 VAL 73 CA -0.0047 0.0088 -0.0006 543 VAL 73 C -0.0017 0.0128 -0.0017 544 VAL 73 O -0.0012 0.0177 -0.0009 545 VAL 73 CB -0.0061 0.0076 0.0002 546 VAL 73 CG1 -0.0031 0.0052 -0.0025 547 VAL 73 CG2 -0.0099 0.0103 0.0033 548 ASP 74 N 0.0030 0.0113 -0.0053 549 ASP 74 CA 0.0075 0.0160 -0.0074 550 ASP 74 C 0.0069 0.0173 -0.0067 551 ASP 74 O 0.0107 0.0214 -0.0084 552 ASP 74 CB 0.0121 0.0133 -0.0111 553 ASP 74 CG 0.0125 0.0122 -0.0116 554 ASP 74 OD1 0.0118 0.0142 -0.0107 555 ASP 74 OD2 0.0125 0.0059 -0.0131 556 ASP 75 N 0.0057 0.0159 -0.0061 557 ASP 75 CA 0.0055 0.0183 -0.0054 558 ASP 75 C 0.0004 0.0161 -0.0024 559 ASP 75 O 0.0000 0.0143 -0.0026 560 ASP 75 CB 0.0078 0.0117 -0.0085 561 ASP 75 CG 0.0093 0.0141 -0.0090 562 ASP 75 OD1 0.0129 0.0183 -0.0105 563 ASP 75 OD2 0.0090 0.0094 -0.0099 564 MET 76 N -0.0024 0.0128 0.0020 565 MET 76 CA -0.0031 0.0120 0.0032 566 MET 76 C -0.0031 0.0122 0.0033 567 MET 76 O -0.0033 0.0112 0.0036 568 MET 76 CB -0.0037 0.0132 0.0043 569 MET 76 CG -0.0039 0.0126 0.0046 570 MET 76 SD -0.0048 0.0134 0.0063 571 MET 76 CE -0.0048 0.0147 0.0062 572 PRO 77 N -0.0028 0.0132 0.0027 573 PRO 77 CA -0.0026 0.0130 0.0023 574 PRO 77 C -0.0024 0.0118 0.0020 575 PRO 77 O -0.0026 0.0111 0.0024 576 PRO 77 CB -0.0022 0.0144 0.0016 577 PRO 77 CG -0.0024 0.0153 0.0020 578 PRO 77 CD -0.0026 0.0146 0.0023 579 ASN 78 N -0.0017 0.0111 0.0009 580 ASN 78 CA -0.0014 0.0100 0.0003 581 ASN 78 C -0.0018 0.0087 0.0010 582 ASN 78 O -0.0020 0.0076 0.0015 583 ASN 78 CB -0.0006 0.0095 -0.0011 584 ASN 78 CG -0.0002 0.0099 -0.0017 585 ASN 78 OD1 0.0002 0.0119 -0.0025 586 ASN 78 ND2 -0.0001 0.0101 -0.0020 587 ALA 79 N -0.0046 0.0091 0.0002 588 ALA 79 CA -0.0041 0.0099 -0.0001 589 ALA 79 C -0.0032 0.0093 0.0002 590 ALA 79 O -0.0033 0.0096 0.0001 591 ALA 79 CB -0.0037 0.0108 -0.0003 592 LEU 80 N -0.0025 0.0087 0.0005 593 LEU 80 CA -0.0015 0.0081 0.0008 594 LEU 80 C -0.0020 0.0070 0.0011 595 LEU 80 O -0.0012 0.0063 0.0015 596 LEU 80 CB -0.0004 0.0081 0.0009 597 LEU 80 CG 0.0001 0.0093 0.0006 598 LEU 80 CD1 0.0011 0.0092 0.0007 599 LEU 80 CD2 0.0004 0.0098 0.0005 600 SER 81 N -0.0032 0.0066 0.0012 601 SER 81 CA -0.0033 0.0054 0.0016 602 SER 81 C -0.0031 0.0050 0.0017 603 SER 81 O -0.0026 0.0040 0.0021 604 SER 81 CB -0.0050 0.0055 0.0013 605 SER 81 OG -0.0051 0.0043 0.0017 606 ALA 82 N -0.0052 0.0071 -0.0001 607 ALA 82 CA -0.0068 0.0097 -0.0013 608 ALA 82 C -0.0024 0.0076 -0.0032 609 ALA 82 O -0.0019 0.0069 -0.0029 610 ALA 82 CB -0.0098 0.0149 -0.0044 611 LEU 83 N 0.0015 0.0081 -0.0074 612 LEU 83 CA 0.0060 0.0068 -0.0101 613 LEU 83 C 0.0093 0.0019 -0.0077 614 LEU 83 O 0.0117 0.0002 -0.0080 615 LEU 83 CB 0.0095 0.0080 -0.0146 616 LEU 83 CG 0.0112 0.0104 -0.0189 617 LEU 83 CD1 0.0070 0.0146 -0.0197 618 LEU 83 CD2 0.0115 0.0141 -0.0234 619 SER 84 N 0.0094 -0.0012 -0.0043 620 SER 84 CA 0.0117 -0.0060 -0.0013 621 SER 84 C 0.0094 -0.0074 0.0025 622 SER 84 O 0.0120 -0.0102 0.0032 623 SER 84 CB 0.0125 -0.0104 0.0029 624 SER 84 OG 0.0096 -0.0076 0.0025 625 ASP 85 N 0.0041 -0.0062 0.0038 626 ASP 85 CA 0.0016 -0.0067 0.0072 627 ASP 85 C 0.0016 -0.0054 0.0052 628 ASP 85 O 0.0026 -0.0069 0.0065 629 ASP 85 CB -0.0030 -0.0044 0.0083 630 ASP 85 CG -0.0031 -0.0063 0.0115 631 ASP 85 OD1 -0.0024 -0.0080 0.0135 632 ASP 85 OD2 -0.0079 -0.0037 0.0122 633 LEU 86 N 0.0017 -0.0028 0.0007 634 LEU 86 CA 0.0018 -0.0014 -0.0015 635 LEU 86 C 0.0058 -0.0037 -0.0020 636 LEU 86 O 0.0061 -0.0041 -0.0018 637 LEU 86 CB 0.0010 0.0018 -0.0060 638 LEU 86 CG 0.0013 0.0031 -0.0084 639 LEU 86 CD1 -0.0026 0.0051 -0.0074 640 LEU 86 CD2 0.0017 0.0061 -0.0136 641 HIS 87 N 0.0093 -0.0053 -0.0031 642 HIS 87 CA 0.0133 -0.0071 -0.0042 643 HIS 87 C 0.0142 -0.0107 0.0007 644 HIS 87 O 0.0159 -0.0117 0.0005 645 HIS 87 CB 0.0172 -0.0084 -0.0063 646 HIS 87 CG 0.0175 -0.0055 -0.0112 647 HIS 87 ND1 0.0147 -0.0029 -0.0126 648 HIS 87 CD2 0.0198 -0.0047 -0.0148 649 HIS 87 CE1 0.0155 -0.0008 -0.0167 650 HIS 87 NE2 0.0187 -0.0019 -0.0183 651 ALA 88 N 0.0150 -0.0112 0.0020 652 ALA 88 CA 0.0163 -0.0139 0.0079 653 ALA 88 C 0.0119 -0.0132 0.0110 654 ALA 88 O 0.0137 -0.0151 0.0140 655 ALA 88 CB 0.0171 -0.0154 0.0109 656 HIS 89 N 0.0072 -0.0109 0.0100 657 HIS 89 CA 0.0032 -0.0104 0.0132 658 HIS 89 C 0.0007 -0.0088 0.0117 659 HIS 89 O -0.0011 -0.0090 0.0144 660 HIS 89 CB -0.0011 -0.0094 0.0154 661 HIS 89 CG 0.0005 -0.0113 0.0186 662 HIS 89 ND1 0.0040 -0.0142 0.0226 663 HIS 89 CD2 0.0002 -0.0110 0.0181 664 HIS 89 CE1 0.0066 -0.0160 0.0246 665 HIS 89 NE2 0.0032 -0.0135 0.0217 666 LYS 90 N 0.0010 -0.0070 0.0066 667 LYS 90 CA -0.0003 -0.0055 0.0037 668 LYS 90 C 0.0028 -0.0056 0.0006 669 LYS 90 O 0.0040 -0.0066 0.0019 670 LYS 90 CB -0.0049 -0.0022 -0.0000 671 LYS 90 CG -0.0101 -0.0016 0.0042 672 LYS 90 CD -0.0127 -0.0018 0.0077 673 LYS 90 CE -0.0189 0.0009 0.0075 674 LYS 90 NZ -0.0194 -0.0021 0.0162 675 LEU 91 N 0.0036 -0.0067 -0.0032 676 LEU 91 CA 0.0048 -0.0065 -0.0041 677 LEU 91 C 0.0066 -0.0074 -0.0032 678 LEU 91 O 0.0072 -0.0075 -0.0032 679 LEU 91 CB 0.0056 -0.0057 -0.0059 680 LEU 91 CG 0.0041 -0.0048 -0.0070 681 LEU 91 CD1 0.0046 -0.0042 -0.0084 682 LEU 91 CD2 0.0033 -0.0045 -0.0072 683 ARG 92 N 0.0071 -0.0078 -0.0026 684 ARG 92 CA 0.0085 -0.0088 -0.0014 685 ARG 92 C 0.0101 -0.0088 -0.0021 686 ARG 92 O 0.0111 -0.0094 -0.0014 687 ARG 92 CB 0.0076 -0.0095 0.0003 688 ARG 92 CG 0.0064 -0.0097 0.0012 689 ARG 92 CD 0.0042 -0.0096 0.0020 690 ARG 92 NE 0.0051 -0.0102 0.0028 691 ARG 92 CZ 0.0026 -0.0103 0.0040 692 ARG 92 NH1 0.0024 -0.0094 0.0025 693 ARG 92 NH2 0.0029 -0.0108 0.0049 694 VAL 93 N 0.0109 -0.0083 -0.0034 695 VAL 93 CA 0.0125 -0.0081 -0.0044 696 VAL 93 C 0.0139 -0.0089 -0.0037 697 VAL 93 O 0.0141 -0.0090 -0.0034 698 VAL 93 CB 0.0125 -0.0072 -0.0061 699 VAL 93 CG1 0.0143 -0.0072 -0.0070 700 VAL 93 CG2 0.0110 -0.0064 -0.0069 701 ASP 94 N 0.0110 -0.0106 -0.0016 702 ASP 94 CA 0.0126 -0.0093 -0.0008 703 ASP 94 C 0.0143 -0.0102 -0.0025 704 ASP 94 O 0.0136 -0.0112 -0.0033 705 ASP 94 CB 0.0118 -0.0087 0.0002 706 ASP 94 CG 0.0134 -0.0073 0.0010 707 ASP 94 OD1 0.0135 -0.0061 0.0023 708 ASP 94 OD2 0.0148 -0.0075 0.0003 709 PRO 95 N 0.0161 -0.0094 -0.0024 710 PRO 95 CA 0.0177 -0.0101 -0.0038 711 PRO 95 C 0.0176 -0.0103 -0.0040 712 PRO 95 O 0.0184 -0.0114 -0.0055 713 PRO 95 CB 0.0196 -0.0089 -0.0033 714 PRO 95 CG 0.0192 -0.0083 -0.0024 715 PRO 95 CD 0.0170 -0.0082 -0.0014 716 VAL 96 N 0.0168 -0.0097 -0.0030 717 VAL 96 CA 0.0169 -0.0101 -0.0034 718 VAL 96 C 0.0159 -0.0116 -0.0047 719 VAL 96 O 0.0162 -0.0123 -0.0056 720 VAL 96 CB 0.0160 -0.0088 -0.0017 721 VAL 96 CG1 0.0143 -0.0090 -0.0012 722 VAL 96 CG2 0.0166 -0.0090 -0.0021 723 ASN 97 N 0.0135 -0.0009 -0.0031 724 ASN 97 CA 0.0128 -0.0038 -0.0013 725 ASN 97 C 0.0144 -0.0057 -0.0026 726 ASN 97 O 0.0134 -0.0073 -0.0009 727 ASN 97 CB 0.0131 -0.0064 -0.0008 728 ASN 97 CG 0.0115 -0.0049 0.0005 729 ASN 97 OD1 0.0097 -0.0051 0.0027 730 ASN 97 ND2 0.0126 -0.0035 -0.0012 731 PHE 98 N 0.0161 -0.0047 -0.0049 732 PHE 98 CA 0.0175 -0.0060 -0.0061 733 PHE 98 C 0.0162 -0.0049 -0.0049 734 PHE 98 O 0.0162 -0.0069 -0.0044 735 PHE 98 CB 0.0198 -0.0054 -0.0090 736 PHE 98 CG 0.0210 -0.0068 -0.0100 737 PHE 98 CD1 0.0224 -0.0096 -0.0108 738 PHE 98 CD2 0.0209 -0.0057 -0.0102 739 PHE 98 CE1 0.0237 -0.0111 -0.0118 740 PHE 98 CE2 0.0222 -0.0076 -0.0112 741 PHE 98 CZ 0.0234 -0.0100 -0.0118 742 LYS 99 N 0.0148 -0.0020 -0.0042 743 LYS 99 CA 0.0133 -0.0011 -0.0028 744 LYS 99 C 0.0116 -0.0024 -0.0004 745 LYS 99 O 0.0113 -0.0033 0.0002 746 LYS 99 CB 0.0126 0.0028 -0.0032 747 LYS 99 CG 0.0136 0.0044 -0.0049 748 LYS 99 CD 0.0135 0.0067 -0.0055 749 LYS 99 CE 0.0119 0.0097 -0.0046 750 LYS 99 NZ 0.0134 0.0137 -0.0076 751 LEU 100 N 0.0128 0.0008 0.0047 752 LEU 100 CA 0.0126 0.0008 0.0040 753 LEU 100 C 0.0127 0.0010 0.0043 754 LEU 100 O 0.0126 0.0006 0.0040 755 LEU 100 CB 0.0125 0.0014 0.0034 756 LEU 100 CG 0.0124 0.0013 0.0032 757 LEU 100 CD1 0.0122 0.0020 0.0025 758 LEU 100 CD2 0.0122 0.0005 0.0027 759 LEU 101 N 0.0129 0.0016 0.0048 760 LEU 101 CA 0.0130 0.0018 0.0051 761 LEU 101 C 0.0132 0.0012 0.0056 762 LEU 101 O 0.0131 0.0008 0.0056 763 LEU 101 CB 0.0133 0.0026 0.0056 764 LEU 101 CG 0.0134 0.0029 0.0059 765 LEU 101 CD1 0.0132 0.0030 0.0054 766 LEU 101 CD2 0.0136 0.0037 0.0065 767 SER 102 N 0.0133 0.0006 0.0061 768 SER 102 CA 0.0134 -0.0001 0.0066 769 SER 102 C 0.0131 -0.0008 0.0060 770 SER 102 O 0.0131 -0.0011 0.0062 771 SER 102 CB 0.0135 -0.0005 0.0071 772 SER 102 OG 0.0137 0.0001 0.0077 773 HIS 103 N 0.0118 0.0003 0.0079 774 HIS 103 CA 0.0112 -0.0009 0.0065 775 HIS 103 C 0.0108 -0.0010 0.0057 776 HIS 103 O 0.0107 -0.0022 0.0051 777 HIS 103 CB 0.0108 -0.0010 0.0057 778 HIS 103 CG 0.0102 -0.0021 0.0043 779 HIS 103 ND1 0.0092 -0.0015 0.0030 780 HIS 103 CD2 0.0105 -0.0038 0.0042 781 HIS 103 CE1 0.0091 -0.0031 0.0021 782 HIS 103 NE2 0.0098 -0.0046 0.0028 783 CYS 104 N 0.0102 0.0006 0.0053 784 CYS 104 CA 0.0095 0.0008 0.0042 785 CYS 104 C 0.0101 0.0006 0.0051 786 CYS 104 O 0.0097 -0.0001 0.0043 787 CYS 104 CB 0.0088 0.0025 0.0037 788 CYS 104 SG 0.0080 0.0029 0.0025 789 LEU 105 N 0.0108 0.0008 0.0065 790 LEU 105 CA 0.0113 0.0002 0.0071 791 LEU 105 C 0.0118 -0.0017 0.0072 792 LEU 105 O 0.0117 -0.0023 0.0068 793 LEU 105 CB 0.0121 0.0014 0.0088 794 LEU 105 CG 0.0120 0.0027 0.0093 795 LEU 105 CD1 0.0128 0.0035 0.0108 796 LEU 105 CD2 0.0118 0.0030 0.0089 797 LEU 106 N 0.0107 -0.0027 0.0044 798 LEU 106 CA 0.0105 -0.0026 0.0045 799 LEU 106 C 0.0105 -0.0026 0.0047 800 LEU 106 O 0.0104 -0.0025 0.0050 801 LEU 106 CB 0.0102 -0.0027 0.0043 802 LEU 106 CG 0.0100 -0.0027 0.0043 803 LEU 106 CD1 0.0098 -0.0028 0.0041 804 LEU 106 CD2 0.0099 -0.0026 0.0044 805 VAL 107 N 0.0107 -0.0026 0.0047 806 VAL 107 CA 0.0108 -0.0025 0.0048 807 VAL 107 C 0.0110 -0.0025 0.0051 808 VAL 107 O 0.0109 -0.0024 0.0053 809 VAL 107 CB 0.0109 -0.0026 0.0047 810 VAL 107 CG1 0.0111 -0.0026 0.0049 811 VAL 107 CG2 0.0107 -0.0027 0.0045 812 THR 108 N 0.0111 -0.0025 0.0050 813 THR 108 CA 0.0113 -0.0024 0.0052 814 THR 108 C 0.0112 -0.0023 0.0054 815 THR 108 O 0.0112 -0.0022 0.0057 816 THR 108 CB 0.0116 -0.0025 0.0051 817 THR 108 OG1 0.0118 -0.0026 0.0049 818 THR 108 CG2 0.0118 -0.0025 0.0053 819 LEU 109 N 0.0120 -0.0047 0.0074 820 LEU 109 CA 0.0116 -0.0038 0.0067 821 LEU 109 C 0.0131 -0.0031 0.0061 822 LEU 109 O 0.0130 -0.0021 0.0052 823 LEU 109 CB 0.0109 -0.0044 0.0072 824 LEU 109 CG 0.0091 -0.0048 0.0075 825 LEU 109 CD1 0.0088 -0.0055 0.0081 826 LEU 109 CD2 0.0084 -0.0043 0.0070 827 ALA 110 N 0.0142 -0.0038 0.0067 828 ALA 110 CA 0.0155 -0.0032 0.0062 829 ALA 110 C 0.0161 -0.0024 0.0055 830 ALA 110 O 0.0166 -0.0014 0.0047 831 ALA 110 CB 0.0167 -0.0041 0.0070 832 ALA 111 N 0.0160 -0.0025 0.0056 833 ALA 111 CA 0.0164 -0.0020 0.0051 834 ALA 111 C 0.0155 -0.0008 0.0041 835 ALA 111 O 0.0160 -0.0001 0.0035 836 ALA 111 CB 0.0166 -0.0024 0.0056 837 HIS 112 N 0.0141 0.0004 0.0118 838 HIS 112 CA 0.0129 0.0010 0.0104 839 HIS 112 C 0.0114 0.0035 0.0082 840 HIS 112 O 0.0108 0.0043 0.0074 841 HIS 112 CB 0.0113 -0.0023 0.0095 842 HIS 112 CG 0.0126 -0.0044 0.0114 843 HIS 112 ND1 0.0128 -0.0039 0.0115 844 HIS 112 CD2 0.0133 -0.0070 0.0127 845 HIS 112 CE1 0.0142 -0.0067 0.0136 846 HIS 112 NE2 0.0146 -0.0085 0.0145 847 LEU 113 N 0.0110 0.0045 0.0076 848 LEU 113 CA 0.0093 0.0067 0.0053 849 LEU 113 C 0.0106 0.0095 0.0060 850 LEU 113 O 0.0099 0.0102 0.0050 851 LEU 113 CB 0.0078 0.0058 0.0038 852 LEU 113 CG 0.0058 0.0028 0.0024 853 LEU 113 CD1 0.0035 0.0017 0.0002 854 LEU 113 CD2 0.0052 0.0028 0.0018 855 PRO 114 N 0.0123 0.0112 0.0074 856 PRO 114 CA 0.0139 0.0140 0.0084 857 PRO 114 C 0.0122 0.0165 0.0060 858 PRO 114 O 0.0122 0.0171 0.0059 859 PRO 114 CB 0.0150 0.0152 0.0093 860 PRO 114 CG 0.0142 0.0140 0.0088 861 PRO 114 CD 0.0129 0.0108 0.0081 862 ALA 115 N 0.0079 0.0220 0.0061 863 ALA 115 CA 0.0046 0.0242 0.0058 864 ALA 115 C 0.0015 0.0214 0.0047 865 ALA 115 O -0.0005 0.0218 0.0044 866 ALA 115 CB 0.0033 0.0271 0.0059 867 GLU 116 N 0.0009 0.0187 0.0042 868 GLU 116 CA -0.0028 0.0163 0.0032 869 GLU 116 C -0.0020 0.0124 0.0028 870 GLU 116 O -0.0049 0.0106 0.0019 871 GLU 116 CB -0.0035 0.0149 0.0028 872 GLU 116 CG -0.0052 0.0179 0.0029 873 GLU 116 CD -0.0017 0.0198 0.0039 874 GLU 116 OE1 0.0020 0.0192 0.0045 875 GLU 116 OE2 -0.0025 0.0229 0.0042 876 PHE 117 N 0.0014 0.0112 0.0032 877 PHE 117 CA 0.0025 0.0080 0.0030 878 PHE 117 C 0.0021 0.0081 0.0029 879 PHE 117 O 0.0048 0.0072 0.0033 880 PHE 117 CB 0.0062 0.0060 0.0034 881 PHE 117 CG 0.0070 0.0016 0.0029 882 PHE 117 CD1 0.0050 -0.0008 0.0021 883 PHE 117 CD2 0.0094 0.0007 0.0032 884 PHE 117 CE1 0.0059 -0.0046 0.0018 885 PHE 117 CE2 0.0097 -0.0036 0.0026 886 PHE 117 CZ 0.0080 -0.0058 0.0020 887 THR 118 N -0.0056 0.0069 -0.0010 888 THR 118 CA -0.0076 0.0054 -0.0011 889 THR 118 C -0.0079 0.0035 -0.0032 890 THR 118 O -0.0075 0.0034 -0.0038 891 THR 118 CB -0.0096 0.0058 0.0009 892 THR 118 OG1 -0.0105 0.0056 0.0014 893 THR 118 CG2 -0.0095 0.0077 0.0031 894 PRO 119 N -0.0099 0.0019 -0.0036 895 PRO 119 CA -0.0106 -0.0001 -0.0055 896 PRO 119 C -0.0114 -0.0005 -0.0053 897 PRO 119 O -0.0111 -0.0014 -0.0067 898 PRO 119 CB -0.0124 -0.0015 -0.0057 899 PRO 119 CG -0.0115 -0.0004 -0.0051 900 PRO 119 CD -0.0105 0.0019 -0.0031 901 ALA 120 N -0.0130 0.0002 -0.0031 902 ALA 120 CA -0.0141 0.0000 -0.0025 903 ALA 120 C -0.0123 0.0012 -0.0025 904 ALA 120 O -0.0122 0.0004 -0.0036 905 ALA 120 CB -0.0164 0.0003 -0.0004 906 VAL 121 N -0.0091 0.0013 -0.0015 907 VAL 121 CA -0.0092 0.0013 -0.0015 908 VAL 121 C -0.0082 -0.0002 -0.0015 909 VAL 121 O -0.0087 -0.0010 -0.0015 910 VAL 121 CB -0.0088 0.0029 -0.0015 911 VAL 121 CG1 -0.0087 0.0028 -0.0015 912 VAL 121 CG2 -0.0101 0.0042 -0.0014 913 HIS 122 N -0.0068 -0.0003 -0.0015 914 HIS 122 CA -0.0055 -0.0018 -0.0016 915 HIS 122 C -0.0067 -0.0032 -0.0015 916 HIS 122 O -0.0066 -0.0043 -0.0015 917 HIS 122 CB -0.0041 -0.0014 -0.0016 918 HIS 122 CG -0.0030 -0.0027 -0.0016 919 HIS 122 ND1 -0.0014 -0.0023 -0.0017 920 HIS 122 CD2 -0.0028 -0.0040 -0.0016 921 HIS 122 CE1 -0.0004 -0.0038 -0.0017 922 HIS 122 NE2 -0.0012 -0.0048 -0.0017 923 ALA 123 N -0.0073 -0.0034 -0.0015 924 ALA 123 CA -0.0082 -0.0048 -0.0015 925 ALA 123 C -0.0096 -0.0051 -0.0014 926 ALA 123 O -0.0098 -0.0066 -0.0014 927 ALA 123 CB -0.0089 -0.0048 -0.0015 928 SER 124 N -0.0068 -0.0014 0.0022 929 SER 124 CA -0.0074 -0.0015 0.0021 930 SER 124 C -0.0070 -0.0018 0.0021 931 SER 124 O -0.0074 -0.0024 0.0020 932 SER 124 CB -0.0080 -0.0007 0.0022 933 SER 124 OG -0.0085 -0.0005 0.0022 934 LEU 125 N -0.0063 -0.0014 0.0022 935 LEU 125 CA -0.0059 -0.0017 0.0022 936 LEU 125 C -0.0055 -0.0025 0.0021 937 LEU 125 O -0.0055 -0.0031 0.0020 938 LEU 125 CB -0.0051 -0.0010 0.0022 939 LEU 125 CG -0.0053 -0.0001 0.0023 940 LEU 125 CD1 -0.0045 0.0005 0.0024 941 LEU 125 CD2 -0.0057 -0.0001 0.0023 942 ASP 126 N -0.0051 -0.0029 0.0021 943 ASP 126 CA -0.0048 -0.0038 0.0020 944 ASP 126 C -0.0055 -0.0044 0.0019 945 ASP 126 O -0.0055 -0.0052 0.0018 946 ASP 126 CB -0.0043 -0.0039 0.0020 947 ASP 126 CG -0.0037 -0.0048 0.0019 948 ASP 126 OD1 -0.0033 -0.0050 0.0019 949 ASP 126 OD2 -0.0039 -0.0054 0.0019 950 LYS 127 N -0.0013 0.0008 0.0061 951 LYS 127 CA -0.0030 -0.0003 0.0059 952 LYS 127 C -0.0033 -0.0002 0.0060 953 LYS 127 O -0.0040 -0.0017 0.0057 954 LYS 127 CB -0.0045 0.0001 0.0060 955 LYS 127 CG -0.0055 -0.0004 0.0060 956 LYS 127 CD -0.0067 0.0001 0.0061 957 LYS 127 CE -0.0085 -0.0006 0.0060 958 LYS 127 NZ -0.0103 -0.0000 0.0062 959 PHE 128 N -0.0034 0.0014 0.0063 960 PHE 128 CA -0.0039 0.0016 0.0063 961 PHE 128 C -0.0024 0.0006 0.0061 962 PHE 128 O -0.0031 -0.0005 0.0059 963 PHE 128 CB -0.0037 0.0038 0.0068 964 PHE 128 CG -0.0038 0.0040 0.0068 965 PHE 128 CD1 -0.0057 0.0037 0.0068 966 PHE 128 CD2 -0.0024 0.0047 0.0069 967 PHE 128 CE1 -0.0056 0.0040 0.0069 968 PHE 128 CE2 -0.0021 0.0055 0.0071 969 PHE 128 CZ -0.0039 0.0050 0.0070 970 LEU 129 N -0.0004 0.0006 0.0060 971 LEU 129 CA 0.0009 -0.0006 0.0058 972 LEU 129 C 0.0008 -0.0025 0.0054 973 LEU 129 O 0.0010 -0.0037 0.0051 974 LEU 129 CB 0.0030 0.0002 0.0058 975 LEU 129 CG 0.0036 0.0024 0.0063 976 LEU 129 CD1 0.0054 0.0030 0.0063 977 LEU 129 CD2 0.0034 0.0024 0.0063 978 ALA 130 N 0.0038 0.0003 0.0041 979 ALA 130 CA 0.0029 -0.0013 0.0017 980 ALA 130 C 0.0027 -0.0014 0.0017 981 ALA 130 O 0.0035 -0.0020 -0.0000 982 ALA 130 CB 0.0002 -0.0025 0.0013 983 SER 131 N 0.0017 -0.0005 0.0041 984 SER 131 CA 0.0015 -0.0006 0.0041 985 SER 131 C 0.0044 0.0005 0.0040 986 SER 131 O 0.0045 -0.0001 0.0027 987 SER 131 CB -0.0002 0.0002 0.0069 988 SER 131 OG -0.0025 -0.0008 0.0066 989 VAL 132 N 0.0058 0.0017 0.0054 990 VAL 132 CA 0.0085 0.0026 0.0052 991 VAL 132 C 0.0097 0.0017 0.0024 992 VAL 132 O 0.0109 0.0016 0.0014 993 VAL 132 CB 0.0100 0.0040 0.0066 994 VAL 132 CG1 0.0130 0.0050 0.0064 995 VAL 132 CG2 0.0092 0.0052 0.0095 996 SER 133 N 0.0202 -0.0047 -0.0056 997 SER 133 CA 0.0219 -0.0068 -0.0086 998 SER 133 C 0.0197 -0.0098 -0.0083 999 SER 133 O 0.0211 -0.0098 -0.0097 1000 SER 133 CB 0.0231 -0.0084 -0.0108 1001 SER 133 OG 0.0254 -0.0058 -0.0114 1002 THR 134 N 0.0167 -0.0116 -0.0067 1003 THR 134 CA 0.0150 -0.0141 -0.0066 1004 THR 134 C 0.0143 -0.0125 -0.0049 1005 THR 134 O 0.0142 -0.0138 -0.0056 1006 THR 134 CB 0.0120 -0.0162 -0.0050 1007 THR 134 OG1 0.0120 -0.0184 -0.0064 1008 THR 134 CG2 0.0091 -0.0188 -0.0039 1009 VAL 135 N 0.0137 -0.0092 -0.0023 1010 VAL 135 CA 0.0130 -0.0074 -0.0004 1011 VAL 135 C 0.0163 -0.0055 -0.0023 1012 VAL 135 O 0.0161 -0.0061 -0.0025 1013 VAL 135 CB 0.0119 -0.0040 0.0028 1014 VAL 135 CG1 0.0123 -0.0012 0.0042 1015 VAL 135 CG2 0.0088 -0.0055 0.0048 1016 LEU 136 N 0.0204 -0.0096 -0.0038 1017 LEU 136 CA 0.0200 -0.0078 -0.0048 1018 LEU 136 C 0.0204 -0.0098 -0.0035 1019 LEU 136 O 0.0194 -0.0081 -0.0036 1020 LEU 136 CB 0.0212 -0.0057 -0.0085 1021 LEU 136 CG 0.0199 -0.0022 -0.0098 1022 LEU 136 CD1 0.0218 -0.0015 -0.0135 1023 LEU 136 CD2 0.0172 -0.0000 -0.0076 1024 THR 137 N 0.0220 -0.0130 -0.0031 1025 THR 137 CA 0.0230 -0.0156 -0.0023 1026 THR 137 C 0.0216 -0.0171 0.0012 1027 THR 137 O 0.0221 -0.0192 0.0026 1028 THR 137 CB 0.0264 -0.0192 -0.0043 1029 THR 137 OG1 0.0268 -0.0163 -0.0075 1030 THR 137 CG2 0.0268 -0.0192 -0.0049 1031 SER 138 N 0.0200 -0.0165 0.0032 1032 SER 138 CA 0.0187 -0.0181 0.0067 1033 SER 138 C 0.0170 -0.0182 0.0095 1034 SER 138 O 0.0172 -0.0207 0.0115 1035 SER 138 CB 0.0158 -0.0154 0.0086 1036 SER 138 OG 0.0180 -0.0184 0.0081 1037 LYS 139 N 0.0181 -0.0149 0.0113 1038 LYS 139 CA 0.0173 -0.0133 0.0130 1039 LYS 139 C 0.0169 -0.0129 0.0123 1040 LYS 139 O 0.0161 -0.0116 0.0130 1041 LYS 139 CB 0.0163 -0.0119 0.0132 1042 LYS 139 CG 0.0168 -0.0125 0.0139 1043 LYS 139 CD 0.0158 -0.0110 0.0136 1044 LYS 139 CE 0.0162 -0.0114 0.0147 1045 LYS 139 NZ 0.0149 -0.0096 0.0137 1046 TYR 140 N 0.0173 -0.0137 0.0108 1047 TYR 140 CA 0.0169 -0.0133 0.0101 1048 TYR 140 C 0.0170 -0.0132 0.0116 1049 TYR 140 O 0.0161 -0.0119 0.0115 1050 TYR 140 CB 0.0174 -0.0144 0.0081 1051 TYR 140 CG 0.0168 -0.0138 0.0061 1052 TYR 140 CD1 0.0166 -0.0138 0.0042 1053 TYR 140 CD2 0.0164 -0.0133 0.0056 1054 TYR 140 CE1 0.0160 -0.0132 0.0023 1055 TYR 140 CE2 0.0159 -0.0129 0.0035 1056 TYR 140 CZ 0.0158 -0.0129 0.0018 1057 TYR 140 OH 0.0153 -0.0125 0.0001 1058 ARG 141 N 0.0178 -0.0141 0.0131 1059 ARG 141 CA 0.0181 -0.0142 0.0150 1060 ARG 141 C 0.0187 -0.0149 0.0170 1061 ARG 141 O 0.0193 -0.0158 0.0167 1062 ARG 141 CB 0.0183 -0.0147 0.0141 1063 ARG 141 CG 0.0198 -0.0171 0.0134 1064 ARG 141 CD 0.0200 -0.0175 0.0131 1065 ARG 141 NE 0.0210 -0.0192 0.0122 1066 ARG 141 CZ 0.0218 -0.0203 0.0122 1067 ARG 141 NH1 0.0215 -0.0199 0.0120 1068 ARG 141 NH2 0.0228 -0.0220 0.0115 1069 ARG 141 OXT 0.0186 -0.0146 0.0183 1070 VAL 1 N 0.0031 0.0023 -0.0043 1071 VAL 1 CA 0.0006 -0.0028 -0.0052 1072 VAL 1 C 0.0019 -0.0053 -0.0024 1073 VAL 1 O 0.0055 -0.0042 0.0018 1074 VAL 1 CB -0.0030 -0.0023 -0.0102 1075 VAL 1 CG1 -0.0054 -0.0068 -0.0114 1076 VAL 1 CG2 -0.0029 0.0010 -0.0115 1077 HIS 2 N 0.0006 -0.0075 -0.0032 1078 HIS 2 CA 0.0017 -0.0084 -0.0014 1079 HIS 2 C -0.0009 -0.0089 -0.0045 1080 HIS 2 O -0.0038 -0.0117 -0.0072 1081 HIS 2 CB -0.0007 -0.0149 -0.0016 1082 HIS 2 CG -0.0010 -0.0169 -0.0011 1083 HIS 2 ND1 -0.0047 -0.0198 -0.0047 1084 HIS 2 CD2 0.0027 -0.0171 0.0038 1085 HIS 2 CE1 -0.0022 -0.0214 -0.0008 1086 HIS 2 NE2 0.0011 -0.0192 0.0027 1087 LEU 3 N 0.0005 -0.0059 -0.0040 1088 LEU 3 CA -0.0009 -0.0059 -0.0058 1089 LEU 3 C 0.0013 -0.0060 -0.0029 1090 LEU 3 O 0.0040 -0.0055 0.0004 1091 LEU 3 CB -0.0002 -0.0001 -0.0076 1092 LEU 3 CG -0.0024 0.0013 -0.0110 1093 LEU 3 CD1 -0.0017 0.0056 -0.0121 1094 LEU 3 CD2 -0.0051 0.0000 -0.0140 1095 THR 4 N -0.0048 -0.0156 -0.0046 1096 THR 4 CA -0.0001 -0.0151 0.0031 1097 THR 4 C 0.0045 -0.0048 0.0035 1098 THR 4 O 0.0034 0.0047 -0.0055 1099 THR 4 CB -0.0084 -0.0266 -0.0027 1100 THR 4 OG1 -0.0132 -0.0222 -0.0142 1101 THR 4 CG2 -0.0151 -0.0394 -0.0048 1102 PRO 5 N 0.0084 -0.0045 0.0099 1103 PRO 5 CA 0.0137 0.0038 0.0131 1104 PRO 5 C 0.0086 0.0113 -0.0014 1105 PRO 5 O 0.0117 0.0230 -0.0045 1106 PRO 5 CB 0.0193 0.0049 0.0220 1107 PRO 5 CG 0.0180 -0.0081 0.0293 1108 PRO 5 CD 0.0127 -0.0149 0.0252 1109 GLU 6 N 0.0013 0.0001 -0.0056 1110 GLU 6 CA -0.0031 0.0026 -0.0151 1111 GLU 6 C -0.0069 0.0103 -0.0274 1112 GLU 6 O -0.0082 0.0202 -0.0369 1113 GLU 6 CB -0.0120 -0.0103 -0.0210 1114 GLU 6 CG -0.0158 -0.0198 -0.0206 1115 GLU 6 CD -0.0105 -0.0310 -0.0030 1116 GLU 6 OE1 -0.0020 -0.0225 0.0053 1117 GLU 6 OE2 -0.0084 -0.0332 0.0021 1118 GLU 7 N -0.0047 0.0089 -0.0207 1119 GLU 7 CA -0.0061 0.0111 -0.0253 1120 GLU 7 C -0.0026 0.0186 -0.0244 1121 GLU 7 O -0.0035 0.0223 -0.0294 1122 GLU 7 CB -0.0071 0.0083 -0.0251 1123 GLU 7 CG -0.0115 0.0010 -0.0280 1124 GLU 7 CD -0.0122 -0.0009 -0.0279 1125 GLU 7 OE1 -0.0157 -0.0040 -0.0326 1126 GLU 7 OE2 -0.0101 -0.0016 -0.0230 1127 LYS 8 N 0.0004 0.0199 -0.0193 1128 LYS 8 CA 0.0033 0.0258 -0.0182 1129 LYS 8 C 0.0038 0.0294 -0.0202 1130 LYS 8 O 0.0048 0.0359 -0.0236 1131 LYS 8 CB 0.0070 0.0254 -0.0103 1132 LYS 8 CG 0.0089 0.0293 -0.0096 1133 LYS 8 CD 0.0137 0.0335 -0.0031 1134 LYS 8 CE 0.0164 0.0396 -0.0027 1135 LYS 8 NZ 0.0217 0.0413 0.0068 1136 SER 9 N 0.0039 0.0280 -0.0188 1137 SER 9 CA 0.0043 0.0305 -0.0199 1138 SER 9 C 0.0013 0.0329 -0.0282 1139 SER 9 O 0.0022 0.0379 -0.0305 1140 SER 9 CB 0.0059 0.0288 -0.0153 1141 SER 9 OG 0.0020 0.0259 -0.0209 1142 ALA 10 N -0.0014 0.0223 -0.0157 1143 ALA 10 CA -0.0023 0.0230 -0.0147 1144 ALA 10 C -0.0031 0.0214 -0.0136 1145 ALA 10 O -0.0037 0.0218 -0.0130 1146 ALA 10 CB -0.0032 0.0234 -0.0137 1147 VAL 11 N -0.0029 0.0197 -0.0136 1148 VAL 11 CA -0.0034 0.0181 -0.0130 1149 VAL 11 C -0.0029 0.0180 -0.0136 1150 VAL 11 O -0.0035 0.0178 -0.0128 1151 VAL 11 CB -0.0032 0.0167 -0.0131 1152 VAL 11 CG1 -0.0033 0.0150 -0.0127 1153 VAL 11 CG2 -0.0041 0.0167 -0.0120 1154 THR 12 N -0.0017 0.0180 -0.0149 1155 THR 12 CA -0.0009 0.0175 -0.0158 1156 THR 12 C -0.0012 0.0189 -0.0156 1157 THR 12 O -0.0014 0.0187 -0.0153 1158 THR 12 CB 0.0006 0.0173 -0.0175 1159 THR 12 OG1 0.0005 0.0160 -0.0173 1160 THR 12 CG2 0.0007 0.0180 -0.0177 1161 ALA 13 N -0.0039 0.0144 -0.0076 1162 ALA 13 CA -0.0037 0.0140 -0.0067 1163 ALA 13 C -0.0030 0.0132 -0.0046 1164 ALA 13 O -0.0031 0.0115 -0.0039 1165 ALA 13 CB -0.0033 0.0165 -0.0070 1166 LEU 14 N -0.0022 0.0143 -0.0027 1167 LEU 14 CA -0.0016 0.0130 -0.0005 1168 LEU 14 C -0.0019 0.0106 -0.0004 1169 LEU 14 O -0.0016 0.0093 0.0010 1170 LEU 14 CB -0.0007 0.0150 0.0009 1171 LEU 14 CG 0.0001 0.0148 0.0033 1172 LEU 14 CD1 0.0003 0.0148 0.0039 1173 LEU 14 CD2 0.0007 0.0157 0.0045 1174 TRP 15 N -0.0024 0.0104 -0.0016 1175 TRP 15 CA -0.0027 0.0081 -0.0013 1176 TRP 15 C -0.0033 0.0061 -0.0020 1177 TRP 15 O -0.0032 0.0041 -0.0010 1178 TRP 15 CB -0.0031 0.0084 -0.0025 1179 TRP 15 CG -0.0032 0.0062 -0.0018 1180 TRP 15 CD1 -0.0038 0.0043 -0.0028 1181 TRP 15 CD2 -0.0025 0.0062 0.0001 1182 TRP 15 NE1 -0.0037 0.0029 -0.0018 1183 TRP 15 CE2 -0.0028 0.0039 0.0004 1184 TRP 15 CE3 -0.0016 0.0077 0.0019 1185 TRP 15 CZ2 -0.0022 0.0034 0.0021 1186 TRP 15 CZ3 -0.0011 0.0070 0.0037 1187 TRP 15 CH2 -0.0014 0.0050 0.0035 1188 GLY 16 N -0.0066 0.0100 -0.0007 1189 GLY 16 CA -0.0086 0.0068 0.0002 1190 GLY 16 C -0.0071 0.0048 0.0026 1191 GLY 16 O -0.0086 0.0021 0.0035 1192 LYS 17 N -0.0043 0.0056 0.0039 1193 LYS 17 CA -0.0026 0.0038 0.0063 1194 LYS 17 C -0.0016 0.0036 0.0071 1195 LYS 17 O -0.0001 0.0016 0.0096 1196 LYS 17 CB 0.0004 0.0048 0.0076 1197 LYS 17 CG -0.0007 0.0053 0.0065 1198 LYS 17 CD 0.0015 0.0060 0.0076 1199 LYS 17 CE 0.0010 0.0070 0.0065 1200 LYS 17 NZ 0.0040 0.0067 0.0087 1201 VAL 18 N -0.0021 0.0046 0.0061 1202 VAL 18 CA -0.0010 0.0048 0.0067 1203 VAL 18 C -0.0030 0.0022 0.0072 1204 VAL 18 O -0.0057 0.0015 0.0059 1205 VAL 18 CB -0.0013 0.0075 0.0046 1206 VAL 18 CG1 -0.0007 0.0072 0.0052 1207 VAL 18 CG2 0.0019 0.0097 0.0052 1208 ASN 19 N 0.0013 0.0015 0.0115 1209 ASN 19 CA 0.0006 0.0027 0.0116 1210 ASN 19 C 0.0004 0.0032 0.0105 1211 ASN 19 O 0.0006 0.0030 0.0094 1212 ASN 19 CB 0.0005 0.0029 0.0113 1213 ASN 19 CG -0.0002 0.0040 0.0110 1214 ASN 19 OD1 -0.0006 0.0047 0.0110 1215 ASN 19 ND2 -0.0002 0.0040 0.0114 1216 VAL 20 N 0.0000 0.0037 0.0109 1217 VAL 20 CA -0.0001 0.0041 0.0100 1218 VAL 20 C -0.0005 0.0047 0.0092 1219 VAL 20 O -0.0004 0.0048 0.0079 1220 VAL 20 CB -0.0004 0.0045 0.0107 1221 VAL 20 CG1 -0.0006 0.0049 0.0097 1222 VAL 20 CG2 0.0000 0.0036 0.0114 1223 ASP 21 N -0.0009 0.0054 0.0093 1224 ASP 21 CA -0.0013 0.0062 0.0085 1225 ASP 21 C -0.0009 0.0057 0.0078 1226 ASP 21 O -0.0009 0.0059 0.0066 1227 ASP 21 CB -0.0018 0.0069 0.0093 1228 ASP 21 CG -0.0025 0.0079 0.0100 1229 ASP 21 OD1 -0.0025 0.0079 0.0095 1230 ASP 21 OD2 -0.0030 0.0086 0.0103 1231 GLU 22 N -0.0002 0.0052 0.0092 1232 GLU 22 CA -0.0001 0.0053 0.0094 1233 GLU 22 C 0.0010 0.0043 0.0074 1234 GLU 22 O 0.0002 0.0041 0.0065 1235 GLU 22 CB 0.0013 0.0057 0.0113 1236 GLU 22 CG 0.0019 0.0056 0.0114 1237 GLU 22 CD 0.0037 0.0057 0.0127 1238 GLU 22 OE1 0.0056 0.0055 0.0134 1239 GLU 22 OE2 0.0028 0.0069 0.0154 1240 VAL 23 N 0.0029 0.0037 0.0072 1241 VAL 23 CA 0.0042 0.0028 0.0055 1242 VAL 23 C 0.0027 0.0023 0.0033 1243 VAL 23 O 0.0030 0.0017 0.0018 1244 VAL 23 CB 0.0064 0.0023 0.0055 1245 VAL 23 CG1 0.0073 0.0014 0.0035 1246 VAL 23 CG2 0.0074 0.0029 0.0075 1247 GLY 24 N 0.0015 0.0025 0.0032 1248 GLY 24 CA 0.0002 0.0022 0.0014 1249 GLY 24 C -0.0015 0.0023 0.0008 1250 GLY 24 O -0.0019 0.0018 -0.0008 1251 GLY 25 N -0.0028 0.0023 0.0002 1252 GLY 25 CA -0.0044 0.0028 -0.0002 1253 GLY 25 C -0.0039 0.0019 -0.0011 1254 GLY 25 O -0.0049 0.0016 -0.0024 1255 GLU 26 N -0.0024 0.0017 -0.0003 1256 GLU 26 CA -0.0017 0.0009 -0.0008 1257 GLU 26 C -0.0013 -0.0006 -0.0027 1258 GLU 26 O -0.0018 -0.0010 -0.0038 1259 GLU 26 CB -0.0002 0.0010 0.0005 1260 GLU 26 CG -0.0001 0.0008 0.0004 1261 GLU 26 CD -0.0002 0.0009 0.0005 1262 GLU 26 OE1 0.0038 -0.0008 0.0012 1263 GLU 26 OE2 0.0017 0.0014 0.0028 1264 ALA 27 N -0.0003 -0.0011 -0.0026 1265 ALA 27 CA 0.0003 -0.0025 -0.0043 1266 ALA 27 C -0.0012 -0.0027 -0.0060 1267 ALA 27 O -0.0014 -0.0036 -0.0074 1268 ALA 27 CB 0.0016 -0.0030 -0.0040 1269 LEU 28 N -0.0032 -0.0019 -0.0035 1270 LEU 28 CA -0.0052 -0.0021 -0.0047 1271 LEU 28 C -0.0070 -0.0019 -0.0055 1272 LEU 28 O -0.0084 -0.0029 -0.0071 1273 LEU 28 CB -0.0056 -0.0015 -0.0045 1274 LEU 28 CG -0.0075 -0.0028 -0.0065 1275 LEU 28 CD1 -0.0062 -0.0047 -0.0074 1276 LEU 28 CD2 -0.0079 -0.0013 -0.0055 1277 GLY 29 N -0.0077 0.0000 -0.0043 1278 GLY 29 CA -0.0096 0.0005 -0.0050 1279 GLY 29 C -0.0093 -0.0009 -0.0060 1280 GLY 29 O -0.0109 -0.0016 -0.0074 1281 ARG 30 N -0.0072 -0.0015 -0.0053 1282 ARG 30 CA -0.0071 -0.0027 -0.0062 1283 ARG 30 C -0.0070 -0.0051 -0.0080 1284 ARG 30 O -0.0079 -0.0059 -0.0092 1285 ARG 30 CB -0.0047 -0.0029 -0.0051 1286 ARG 30 CG -0.0048 -0.0012 -0.0038 1287 ARG 30 CD -0.0024 -0.0016 -0.0028 1288 ARG 30 NE -0.0023 0.0003 -0.0013 1289 ARG 30 CZ -0.0024 0.0008 -0.0010 1290 ARG 30 NH1 -0.0026 -0.0007 -0.0023 1291 ARG 30 NH2 -0.0025 0.0024 0.0003 1292 LEU 31 N -0.0046 -0.0017 -0.0017 1293 LEU 31 CA -0.0048 -0.0035 -0.0018 1294 LEU 31 C -0.0065 -0.0035 -0.0025 1295 LEU 31 O -0.0077 -0.0049 -0.0030 1296 LEU 31 CB -0.0031 -0.0042 -0.0011 1297 LEU 31 CG -0.0033 -0.0061 -0.0012 1298 LEU 31 CD1 -0.0032 -0.0076 -0.0011 1299 LEU 31 CD2 -0.0019 -0.0062 -0.0006 1300 LEU 32 N -0.0068 -0.0020 -0.0026 1301 LEU 32 CA -0.0082 -0.0022 -0.0032 1302 LEU 32 C -0.0101 -0.0018 -0.0040 1303 LEU 32 O -0.0116 -0.0023 -0.0046 1304 LEU 32 CB -0.0081 -0.0005 -0.0031 1305 LEU 32 CG -0.0068 -0.0010 -0.0026 1306 LEU 32 CD1 -0.0056 -0.0023 -0.0021 1307 LEU 32 CD2 -0.0063 0.0007 -0.0024 1308 VAL 33 N -0.0101 -0.0008 -0.0040 1309 VAL 33 CA -0.0117 -0.0004 -0.0046 1310 VAL 33 C -0.0123 -0.0024 -0.0049 1311 VAL 33 O -0.0140 -0.0028 -0.0056 1312 VAL 33 CB -0.0115 0.0014 -0.0046 1313 VAL 33 CG1 -0.0131 0.0017 -0.0052 1314 VAL 33 CG2 -0.0115 0.0030 -0.0045 1315 VAL 34 N -0.0084 -0.0044 -0.0033 1316 VAL 34 CA -0.0094 -0.0055 -0.0032 1317 VAL 34 C -0.0095 -0.0067 -0.0026 1318 VAL 34 O -0.0105 -0.0073 -0.0028 1319 VAL 34 CB -0.0088 -0.0056 -0.0029 1320 VAL 34 CG1 -0.0096 -0.0067 -0.0027 1321 VAL 34 CG2 -0.0087 -0.0045 -0.0034 1322 TYR 35 N -0.0084 -0.0068 -0.0021 1323 TYR 35 CA -0.0084 -0.0079 -0.0015 1324 TYR 35 C -0.0081 -0.0074 -0.0015 1325 TYR 35 O -0.0070 -0.0074 -0.0010 1326 TYR 35 CB -0.0074 -0.0086 -0.0006 1327 TYR 35 CG -0.0077 -0.0089 -0.0006 1328 TYR 35 CD1 -0.0088 -0.0098 -0.0007 1329 TYR 35 CD2 -0.0070 -0.0085 -0.0004 1330 TYR 35 CE1 -0.0090 -0.0101 -0.0006 1331 TYR 35 CE2 -0.0074 -0.0086 -0.0006 1332 TYR 35 CZ -0.0082 -0.0095 -0.0005 1333 TYR 35 OH -0.0086 -0.0096 -0.0006 1334 PRO 36 N -0.0089 -0.0071 -0.0021 1335 PRO 36 CA -0.0086 -0.0064 -0.0023 1336 PRO 36 C -0.0081 -0.0072 -0.0017 1337 PRO 36 O -0.0074 -0.0066 -0.0017 1338 PRO 36 CB -0.0098 -0.0061 -0.0031 1339 PRO 36 CG -0.0108 -0.0065 -0.0034 1340 PRO 36 CD -0.0102 -0.0071 -0.0028 1341 TRP 37 N -0.0055 -0.0042 0.0034 1342 TRP 37 CA -0.0047 -0.0042 0.0043 1343 TRP 37 C -0.0035 -0.0037 0.0056 1344 TRP 37 O -0.0026 -0.0033 0.0063 1345 TRP 37 CB -0.0055 -0.0059 0.0050 1346 TRP 37 CG -0.0058 -0.0070 0.0057 1347 TRP 37 CD1 -0.0052 -0.0077 0.0073 1348 TRP 37 CD2 -0.0069 -0.0079 0.0050 1349 TRP 37 NE1 -0.0059 -0.0087 0.0073 1350 TRP 37 CE2 -0.0069 -0.0089 0.0062 1351 TRP 37 CE3 -0.0080 -0.0077 0.0035 1352 TRP 37 CZ2 -0.0077 -0.0099 0.0060 1353 TRP 37 CZ3 -0.0088 -0.0088 0.0034 1354 TRP 37 CH2 -0.0086 -0.0097 0.0045 1355 THR 38 N -0.0031 -0.0035 0.0059 1356 THR 38 CA -0.0020 -0.0029 0.0069 1357 THR 38 C -0.0011 -0.0013 0.0065 1358 THR 38 O 0.0000 -0.0006 0.0073 1359 THR 38 CB -0.0018 -0.0031 0.0073 1360 THR 38 OG1 -0.0024 -0.0025 0.0059 1361 THR 38 CG2 -0.0027 -0.0047 0.0077 1362 GLN 39 N -0.0016 -0.0006 0.0051 1363 GLN 39 CA -0.0010 0.0010 0.0043 1364 GLN 39 C -0.0003 0.0013 0.0050 1365 GLN 39 O 0.0006 0.0026 0.0049 1366 GLN 39 CB -0.0018 0.0015 0.0027 1367 GLN 39 CG -0.0024 0.0015 0.0019 1368 GLN 39 CD -0.0033 0.0020 0.0002 1369 GLN 39 OE1 -0.0031 0.0026 -0.0003 1370 GLN 39 NE2 -0.0041 0.0016 -0.0005 1371 ARG 40 N -0.0048 0.0007 0.0080 1372 ARG 40 CA -0.0051 -0.0015 0.0077 1373 ARG 40 C -0.0050 -0.0031 0.0054 1374 ARG 40 O -0.0054 -0.0052 0.0058 1375 ARG 40 CB -0.0049 -0.0005 0.0073 1376 ARG 40 CG -0.0044 0.0000 0.0049 1377 ARG 40 CD -0.0041 0.0014 0.0049 1378 ARG 40 NE -0.0045 0.0001 0.0056 1379 ARG 40 CZ -0.0046 -0.0019 0.0042 1380 ARG 40 NH1 -0.0042 -0.0019 0.0022 1381 ARG 40 NH2 -0.0050 -0.0026 0.0060 1382 PHE 41 N -0.0046 -0.0027 0.0037 1383 PHE 41 CA -0.0044 -0.0042 0.0015 1384 PHE 41 C -0.0047 -0.0056 0.0019 1385 PHE 41 O -0.0046 -0.0068 0.0004 1386 PHE 41 CB -0.0037 -0.0023 -0.0006 1387 PHE 41 CG -0.0034 -0.0012 -0.0010 1388 PHE 41 CD1 -0.0032 0.0013 -0.0003 1389 PHE 41 CD2 -0.0035 -0.0027 -0.0022 1390 PHE 41 CE1 -0.0029 0.0024 -0.0009 1391 PHE 41 CE2 -0.0032 -0.0011 -0.0024 1392 PHE 41 CZ -0.0029 0.0013 -0.0017 1393 PHE 42 N -0.0049 -0.0048 0.0037 1394 PHE 42 CA -0.0050 -0.0051 0.0039 1395 PHE 42 C -0.0056 -0.0064 0.0060 1396 PHE 42 O -0.0058 -0.0066 0.0068 1397 PHE 42 CB -0.0046 -0.0027 0.0039 1398 PHE 42 CG -0.0041 -0.0018 0.0017 1399 PHE 42 CD1 -0.0036 0.0010 0.0018 1400 PHE 42 CD2 -0.0037 -0.0022 -0.0006 1401 PHE 42 CE1 -0.0030 0.0017 -0.0006 1402 PHE 42 CE2 -0.0031 -0.0012 -0.0026 1403 PHE 42 CZ -0.0027 0.0013 -0.0027 1404 GLU 43 N -0.0260 -0.0210 0.0132 1405 GLU 43 CA -0.0307 -0.0198 0.0148 1406 GLU 43 C -0.0266 -0.0215 0.0136 1407 GLU 43 O -0.0272 -0.0179 0.0126 1408 GLU 43 CB -0.0331 -0.0255 0.0180 1409 GLU 43 CG -0.0313 -0.0336 0.0202 1410 GLU 43 CD -0.0411 -0.0400 0.0268 1411 GLU 43 OE1 -0.0442 -0.0364 0.0269 1412 GLU 43 OE2 -0.0345 -0.0451 0.0259 1413 SER 44 N -0.0191 -0.0226 0.0108 1414 SER 44 CA -0.0142 -0.0212 0.0081 1415 SER 44 C -0.0171 -0.0141 0.0067 1416 SER 44 O -0.0111 -0.0108 0.0029 1417 SER 44 CB -0.0076 -0.0241 0.0062 1418 SER 44 OG -0.0025 -0.0233 0.0037 1419 PHE 45 N -0.0168 -0.0083 0.0044 1420 PHE 45 CA -0.0164 -0.0009 0.0015 1421 PHE 45 C -0.0218 0.0024 0.0027 1422 PHE 45 O -0.0218 0.0092 0.0001 1423 PHE 45 CB -0.0167 0.0014 0.0008 1424 PHE 45 CG -0.0094 0.0002 -0.0020 1425 PHE 45 CD1 -0.0097 0.0042 -0.0033 1426 PHE 45 CD2 -0.0053 -0.0040 -0.0022 1427 PHE 45 CE1 -0.0027 0.0021 -0.0056 1428 PHE 45 CE2 0.0012 -0.0070 -0.0040 1429 PHE 45 CZ 0.0007 -0.0020 -0.0056 1430 GLY 46 N -0.0193 0.0019 0.0006 1431 GLY 46 CA -0.0118 -0.0060 0.0024 1432 GLY 46 C -0.0034 -0.0059 0.0043 1433 GLY 46 O -0.0009 0.0051 0.0048 1434 ASP 47 N -0.0017 -0.0138 0.0047 1435 ASP 47 CA 0.0091 -0.0134 0.0072 1436 ASP 47 C 0.0042 -0.0118 0.0061 1437 ASP 47 O -0.0047 -0.0161 0.0041 1438 ASP 47 CB 0.0100 -0.0262 0.0075 1439 ASP 47 CG 0.0203 -0.0278 0.0099 1440 ASP 47 OD1 0.0232 -0.0367 0.0106 1441 ASP 47 OD2 0.0270 -0.0169 0.0114 1442 LEU 48 N 0.0081 -0.0005 0.0070 1443 LEU 48 CA 0.0058 0.0056 0.0064 1444 LEU 48 C 0.0166 0.0059 0.0089 1445 LEU 48 O 0.0168 0.0123 0.0089 1446 LEU 48 CB -0.0006 0.0146 0.0049 1447 LEU 48 CG -0.0114 0.0130 0.0024 1448 LEU 48 CD1 -0.0169 0.0248 0.0010 1449 LEU 48 CD2 -0.0189 0.0066 0.0007 1450 SER 49 N 0.0445 0.0064 0.0272 1451 SER 49 CA 0.0504 0.0148 0.0382 1452 SER 49 C 0.0480 0.0066 0.0293 1453 SER 49 O 0.0459 0.0192 0.0399 1454 SER 49 CB 0.0718 0.0033 0.0390 1455 SER 49 OG 0.0693 -0.0123 0.0231 1456 THR 50 N 0.0354 0.0037 0.0199 1457 THR 50 CA 0.0252 0.0031 0.0138 1458 THR 50 C 0.0067 0.0031 0.0040 1459 THR 50 O 0.0050 -0.0002 -0.0000 1460 THR 50 CB 0.0350 -0.0079 0.0088 1461 THR 50 OG1 0.0325 -0.0209 -0.0046 1462 THR 50 CG2 0.0536 -0.0126 0.0144 1463 PRO 51 N -0.0029 0.0041 -0.0002 1464 PRO 51 CA -0.0196 0.0059 -0.0075 1465 PRO 51 C -0.0206 -0.0073 -0.0203 1466 PRO 51 O -0.0283 -0.0101 -0.0270 1467 PRO 51 CB -0.0285 0.0088 -0.0095 1468 PRO 51 CG -0.0198 0.0181 0.0038 1469 PRO 51 CD -0.0027 0.0120 0.0072 1470 ASP 52 N -0.0054 -0.0162 -0.0286 1471 ASP 52 CA -0.0049 -0.0216 -0.0338 1472 ASP 52 C -0.0015 -0.0186 -0.0313 1473 ASP 52 O -0.0043 -0.0204 -0.0327 1474 ASP 52 CB 0.0017 -0.0270 -0.0397 1475 ASP 52 CG -0.0058 -0.0340 -0.0455 1476 ASP 52 OD1 -0.0132 -0.0332 -0.0438 1477 ASP 52 OD2 -0.0014 -0.0342 -0.0462 1478 ALA 53 N 0.0060 -0.0134 -0.0273 1479 ALA 53 CA 0.0103 -0.0098 -0.0244 1480 ALA 53 C 0.0034 -0.0065 -0.0203 1481 ALA 53 O 0.0013 -0.0055 -0.0191 1482 ALA 53 CB 0.0181 -0.0053 -0.0210 1483 VAL 54 N -0.0030 -0.0025 -0.0158 1484 VAL 54 CA -0.0106 0.0011 -0.0113 1485 VAL 54 C -0.0172 -0.0033 -0.0147 1486 VAL 54 O -0.0208 -0.0024 -0.0134 1487 VAL 54 CB -0.0149 0.0064 -0.0057 1488 VAL 54 CG1 -0.0239 0.0087 -0.0024 1489 VAL 54 CG2 -0.0079 0.0111 -0.0022 1490 MET 55 N -0.0154 -0.0006 -0.0155 1491 MET 55 CA -0.0153 -0.0009 -0.0147 1492 MET 55 C -0.0147 0.0004 -0.0146 1493 MET 55 O -0.0145 0.0003 -0.0136 1494 MET 55 CB -0.0159 -0.0019 -0.0154 1495 MET 55 CG -0.0166 -0.0033 -0.0155 1496 MET 55 SD -0.0165 -0.0041 -0.0137 1497 MET 55 CE -0.0164 -0.0044 -0.0128 1498 GLY 56 N -0.0145 0.0013 -0.0157 1499 GLY 56 CA -0.0139 0.0025 -0.0155 1500 GLY 56 C -0.0133 0.0036 -0.0152 1501 GLY 56 O -0.0127 0.0047 -0.0148 1502 ASN 57 N -0.0131 0.0035 -0.0143 1503 ASN 57 CA -0.0126 0.0044 -0.0138 1504 ASN 57 C -0.0121 0.0046 -0.0125 1505 ASN 57 O -0.0122 0.0038 -0.0113 1506 ASN 57 CB -0.0127 0.0040 -0.0136 1507 ASN 57 CG -0.0121 0.0049 -0.0129 1508 ASN 57 OD1 -0.0117 0.0054 -0.0120 1509 ASN 57 ND2 -0.0122 0.0052 -0.0138 1510 PRO 58 N -0.0104 0.0179 -0.0113 1511 PRO 58 CA -0.0074 0.0183 -0.0102 1512 PRO 58 C -0.0059 0.0160 -0.0080 1513 PRO 58 O -0.0039 0.0160 -0.0071 1514 PRO 58 CB -0.0060 0.0212 -0.0113 1515 PRO 58 CG -0.0081 0.0212 -0.0123 1516 PRO 58 CD -0.0111 0.0202 -0.0131 1517 LYS 59 N -0.0070 0.0144 -0.0075 1518 LYS 59 CA -0.0055 0.0119 -0.0053 1519 LYS 59 C -0.0068 0.0095 -0.0043 1520 LYS 59 O -0.0049 0.0084 -0.0028 1521 LYS 59 CB -0.0061 0.0110 -0.0049 1522 LYS 59 CG -0.0037 0.0126 -0.0049 1523 LYS 59 CD -0.0048 0.0135 -0.0060 1524 LYS 59 CE -0.0005 0.0157 -0.0053 1525 LYS 59 NZ -0.0036 0.0145 -0.0060 1526 VAL 60 N -0.0092 0.0097 -0.0056 1527 VAL 60 CA -0.0107 0.0078 -0.0051 1528 VAL 60 C -0.0089 0.0083 -0.0046 1529 VAL 60 O -0.0080 0.0070 -0.0033 1530 VAL 60 CB -0.0140 0.0071 -0.0062 1531 VAL 60 CG1 -0.0149 0.0061 -0.0060 1532 VAL 60 CG2 -0.0156 0.0061 -0.0063 1533 LYS 61 N -0.0078 0.0105 -0.0076 1534 LYS 61 CA -0.0066 0.0103 -0.0052 1535 LYS 61 C -0.0050 0.0114 -0.0022 1536 LYS 61 O -0.0039 0.0097 0.0002 1537 LYS 61 CB -0.0067 0.0130 -0.0059 1538 LYS 61 CG -0.0078 0.0122 -0.0079 1539 LYS 61 CD -0.0082 0.0158 -0.0093 1540 LYS 61 CE -0.0089 0.0134 -0.0103 1541 LYS 61 NZ -0.0093 0.0168 -0.0117 1542 ALA 62 N -0.0047 0.0137 -0.0021 1543 ALA 62 CA -0.0032 0.0144 0.0008 1544 ALA 62 C -0.0028 0.0115 0.0020 1545 ALA 62 O -0.0016 0.0112 0.0044 1546 ALA 62 CB -0.0032 0.0175 0.0001 1547 HIS 63 N -0.0040 0.0107 -0.0002 1548 HIS 63 CA -0.0038 0.0078 0.0009 1549 HIS 63 C -0.0035 0.0047 0.0020 1550 HIS 63 O -0.0023 0.0034 0.0045 1551 HIS 63 CB -0.0049 0.0069 -0.0012 1552 HIS 63 CG -0.0048 0.0049 -0.0005 1553 HIS 63 ND1 -0.0032 0.0057 0.0025 1554 HIS 63 CD2 -0.0051 0.0014 -0.0005 1555 HIS 63 CE1 -0.0032 0.0026 0.0029 1556 HIS 63 NE2 -0.0043 0.0005 0.0013 1557 GLY 64 N -0.0050 0.0072 -0.0030 1558 GLY 64 CA -0.0048 0.0028 -0.0013 1559 GLY 64 C -0.0026 0.0026 0.0031 1560 GLY 64 O -0.0014 0.0000 0.0062 1561 LYS 65 N -0.0015 0.0075 0.0040 1562 LYS 65 CA 0.0008 0.0087 0.0083 1563 LYS 65 C 0.0027 0.0081 0.0123 1564 LYS 65 O 0.0044 0.0067 0.0159 1565 LYS 65 CB 0.0016 0.0148 0.0084 1566 LYS 65 CG 0.0019 0.0161 0.0087 1567 LYS 65 CD 0.0030 0.0241 0.0087 1568 LYS 65 CE 0.0060 0.0221 0.0153 1569 LYS 65 NZ 0.0066 0.0319 0.0141 1570 LYS 66 N 0.0024 0.0094 0.0113 1571 LYS 66 CA 0.0039 0.0091 0.0144 1572 LYS 66 C 0.0038 0.0030 0.0158 1573 LYS 66 O 0.0057 0.0017 0.0199 1574 LYS 66 CB 0.0035 0.0117 0.0130 1575 LYS 66 CG 0.0048 0.0114 0.0157 1576 LYS 66 CD 0.0044 0.0148 0.0139 1577 LYS 66 CE 0.0084 0.0187 0.0210 1578 LYS 66 NZ 0.0082 0.0207 0.0201 1579 VAL 67 N 0.0009 0.0018 0.0082 1580 VAL 67 CA 0.0010 0.0016 0.0082 1581 VAL 67 C 0.0010 0.0014 0.0084 1582 VAL 67 O 0.0010 0.0014 0.0085 1583 VAL 67 CB 0.0011 0.0016 0.0079 1584 VAL 67 CG1 0.0012 0.0014 0.0079 1585 VAL 67 CG2 0.0010 0.0018 0.0078 1586 LEU 68 N 0.0011 0.0013 0.0084 1587 LEU 68 CA 0.0011 0.0011 0.0086 1588 LEU 68 C 0.0010 0.0012 0.0089 1589 LEU 68 O 0.0011 0.0010 0.0090 1590 LEU 68 CB 0.0012 0.0010 0.0086 1591 LEU 68 CG 0.0014 0.0008 0.0086 1592 LEU 68 CD1 0.0013 0.0007 0.0088 1593 LEU 68 CD2 0.0014 0.0007 0.0084 1594 GLY 69 N 0.0009 0.0014 0.0089 1595 GLY 69 CA 0.0008 0.0014 0.0091 1596 GLY 69 C 0.0008 0.0014 0.0092 1597 GLY 69 O 0.0008 0.0013 0.0093 1598 ALA 70 N -0.0006 0.0064 0.0041 1599 ALA 70 CA -0.0011 0.0071 0.0045 1600 ALA 70 C -0.0013 0.0063 0.0046 1601 ALA 70 O -0.0022 0.0063 0.0053 1602 ALA 70 CB -0.0005 0.0085 0.0041 1603 PHE 71 N -0.0004 0.0055 0.0039 1604 PHE 71 CA -0.0005 0.0046 0.0040 1605 PHE 71 C -0.0016 0.0034 0.0048 1606 PHE 71 O -0.0022 0.0033 0.0053 1607 PHE 71 CB 0.0007 0.0039 0.0030 1608 PHE 71 CG 0.0007 0.0029 0.0030 1609 PHE 71 CD1 0.0011 0.0033 0.0027 1610 PHE 71 CD2 0.0004 0.0012 0.0032 1611 PHE 71 CE1 0.0012 0.0025 0.0026 1612 PHE 71 CE2 0.0005 0.0005 0.0031 1613 PHE 71 CZ 0.0009 0.0011 0.0028 1614 SER 72 N -0.0017 0.0029 0.0048 1615 SER 72 CA -0.0026 0.0016 0.0055 1616 SER 72 C -0.0037 0.0023 0.0065 1617 SER 72 O -0.0046 0.0016 0.0071 1618 SER 72 CB -0.0022 0.0008 0.0052 1619 SER 72 OG -0.0029 -0.0004 0.0057 1620 ASP 73 N -0.0089 0.0034 0.0029 1621 ASP 73 CA -0.0110 0.0044 0.0031 1622 ASP 73 C -0.0104 0.0050 0.0024 1623 ASP 73 O -0.0114 0.0054 0.0026 1624 ASP 73 CB -0.0124 0.0059 0.0027 1625 ASP 73 CG -0.0134 0.0047 0.0042 1626 ASP 73 OD1 -0.0130 0.0027 0.0055 1627 ASP 73 OD2 -0.0140 0.0056 0.0038 1628 GLY 74 N -0.0090 0.0059 0.0009 1629 GLY 74 CA -0.0082 0.0064 0.0001 1630 GLY 74 C -0.0076 0.0055 0.0005 1631 GLY 74 O -0.0074 0.0054 0.0004 1632 LEU 75 N -0.0067 0.0032 0.0018 1633 LEU 75 CA -0.0059 0.0019 0.0024 1634 LEU 75 C -0.0078 0.0017 0.0036 1635 LEU 75 O -0.0074 0.0009 0.0039 1636 LEU 75 CB -0.0050 -0.0001 0.0034 1637 LEU 75 CG -0.0035 0.0000 0.0026 1638 LEU 75 CD1 -0.0021 -0.0019 0.0034 1639 LEU 75 CD2 -0.0016 0.0005 0.0013 1640 ALA 76 N -0.0147 0.0009 0.0062 1641 ALA 76 CA -0.0165 0.0008 0.0084 1642 ALA 76 C -0.0177 0.0024 0.0087 1643 ALA 76 O -0.0187 0.0022 0.0100 1644 ALA 76 CB -0.0188 0.0025 0.0099 1645 HIS 77 N -0.0162 0.0042 0.0058 1646 HIS 77 CA -0.0171 0.0063 0.0054 1647 HIS 77 C -0.0148 0.0052 0.0035 1648 HIS 77 O -0.0145 0.0071 0.0019 1649 HIS 77 CB -0.0175 0.0090 0.0041 1650 HIS 77 CG -0.0198 0.0099 0.0061 1651 HIS 77 ND1 -0.0204 0.0101 0.0066 1652 HIS 77 CD2 -0.0223 0.0100 0.0088 1653 HIS 77 CE1 -0.0224 0.0107 0.0084 1654 HIS 77 NE2 -0.0235 0.0108 0.0097 1655 LEU 78 N -0.0135 0.0026 0.0038 1656 LEU 78 CA -0.0112 0.0016 0.0018 1657 LEU 78 C -0.0116 0.0021 0.0020 1658 LEU 78 O -0.0104 0.0031 -0.0002 1659 LEU 78 CB -0.0099 -0.0019 0.0027 1660 LEU 78 CG -0.0084 -0.0027 0.0015 1661 LEU 78 CD1 -0.0079 -0.0060 0.0032 1662 LEU 78 CD2 -0.0068 -0.0015 -0.0011 1663 ASP 79 N -0.0165 -0.0011 0.0074 1664 ASP 79 CA -0.0176 0.0007 0.0070 1665 ASP 79 C -0.0172 0.0027 0.0065 1666 ASP 79 O -0.0182 0.0041 0.0062 1667 ASP 79 CB -0.0201 0.0001 0.0074 1668 ASP 79 CG -0.0203 -0.0015 0.0079 1669 ASP 79 OD1 -0.0221 -0.0022 0.0082 1670 ASP 79 OD2 -0.0190 -0.0016 0.0078 1671 ASN 80 N -0.0169 0.0024 0.0065 1672 ASN 80 CA -0.0176 0.0044 0.0061 1673 ASN 80 C -0.0152 0.0037 0.0060 1674 ASN 80 O -0.0159 0.0039 0.0060 1675 ASN 80 CB -0.0198 0.0044 0.0063 1676 ASN 80 CG -0.0206 0.0067 0.0058 1677 ASN 80 OD1 -0.0186 0.0081 0.0052 1678 ASN 80 ND2 -0.0215 0.0055 0.0061 1679 LEU 81 N -0.0131 0.0037 0.0058 1680 LEU 81 CA -0.0114 0.0037 0.0057 1681 LEU 81 C -0.0116 0.0054 0.0052 1682 LEU 81 O -0.0110 0.0055 0.0051 1683 LEU 81 CB -0.0096 0.0029 0.0057 1684 LEU 81 CG -0.0089 0.0009 0.0062 1685 LEU 81 CD1 -0.0069 0.0007 0.0060 1686 LEU 81 CD2 -0.0089 -0.0011 0.0067 1687 LYS 82 N -0.0119 0.0007 0.0099 1688 LYS 82 CA -0.0112 0.0021 0.0098 1689 LYS 82 C -0.0113 0.0030 0.0103 1690 LYS 82 O -0.0108 0.0040 0.0101 1691 LYS 82 CB -0.0118 0.0021 0.0105 1692 LYS 82 CG -0.0113 0.0018 0.0097 1693 LYS 82 CD -0.0118 0.0020 0.0104 1694 LYS 82 CE -0.0116 0.0027 0.0105 1695 LYS 82 NZ -0.0124 0.0034 0.0119 1696 GLY 83 N -0.0122 0.0028 0.0113 1697 GLY 83 CA -0.0122 0.0039 0.0119 1698 GLY 83 C -0.0117 0.0038 0.0112 1699 GLY 83 O -0.0114 0.0049 0.0113 1700 THR 84 N -0.0118 0.0025 0.0107 1701 THR 84 CA -0.0114 0.0022 0.0100 1702 THR 84 C -0.0104 0.0032 0.0091 1703 THR 84 O -0.0098 0.0037 0.0087 1704 THR 84 CB -0.0115 0.0008 0.0094 1705 THR 84 OG1 -0.0125 0.0002 0.0105 1706 THR 84 CG2 -0.0111 0.0007 0.0089 1707 PHE 85 N -0.0041 0.0014 0.0104 1708 PHE 85 CA -0.0032 0.0019 0.0095 1709 PHE 85 C -0.0030 0.0030 0.0096 1710 PHE 85 O -0.0023 0.0034 0.0088 1711 PHE 85 CB -0.0027 0.0010 0.0087 1712 PHE 85 CG -0.0028 -0.0000 0.0085 1713 PHE 85 CD1 -0.0032 -0.0012 0.0087 1714 PHE 85 CD2 -0.0024 0.0002 0.0081 1715 PHE 85 CE1 -0.0032 -0.0021 0.0085 1716 PHE 85 CE2 -0.0025 -0.0009 0.0079 1717 PHE 85 CZ -0.0029 -0.0021 0.0081 1718 ALA 86 N -0.0035 0.0036 0.0103 1719 ALA 86 CA -0.0033 0.0048 0.0104 1720 ALA 86 C -0.0028 0.0056 0.0100 1721 ALA 86 O -0.0023 0.0062 0.0095 1722 ALA 86 CB -0.0041 0.0052 0.0114 1723 THR 87 N -0.0030 0.0058 0.0103 1724 THR 87 CA -0.0025 0.0066 0.0098 1725 THR 87 C -0.0017 0.0063 0.0088 1726 THR 87 O -0.0011 0.0070 0.0083 1727 THR 87 CB -0.0027 0.0067 0.0102 1728 THR 87 OG1 -0.0033 0.0072 0.0110 1729 THR 87 CG2 -0.0022 0.0084 0.0100 1730 LEU 88 N 0.0006 0.0022 0.0084 1731 LEU 88 CA 0.0020 0.0018 0.0073 1732 LEU 88 C 0.0037 0.0022 0.0051 1733 LEU 88 O 0.0045 0.0026 0.0038 1734 LEU 88 CB 0.0029 -0.0004 0.0087 1735 LEU 88 CG 0.0014 -0.0009 0.0108 1736 LEU 88 CD1 0.0028 -0.0028 0.0115 1737 LEU 88 CD2 0.0015 0.0000 0.0098 1738 SER 89 N 0.0042 0.0019 0.0049 1739 SER 89 CA 0.0057 0.0024 0.0027 1740 SER 89 C 0.0052 0.0045 0.0010 1741 SER 89 O 0.0062 0.0051 -0.0007 1742 SER 89 CB 0.0059 0.0017 0.0032 1743 SER 89 OG 0.0075 0.0023 0.0009 1744 GLU 90 N 0.0033 0.0059 0.0017 1745 GLU 90 CA 0.0024 0.0077 0.0007 1746 GLU 90 C 0.0022 0.0088 -0.0003 1747 GLU 90 O 0.0030 0.0096 -0.0020 1748 GLU 90 CB -0.0001 0.0094 0.0015 1749 GLU 90 CG 0.0005 0.0088 0.0016 1750 GLU 90 CD -0.0021 0.0107 0.0023 1751 GLU 90 OE1 -0.0025 0.0119 0.0015 1752 GLU 90 OE2 -0.0029 0.0096 0.0043 1753 LEU 91 N 0.0038 0.0039 0.0026 1754 LEU 91 CA 0.0033 0.0047 0.0021 1755 LEU 91 C 0.0043 0.0041 0.0004 1756 LEU 91 O 0.0040 0.0050 -0.0011 1757 LEU 91 CB 0.0027 0.0046 0.0044 1758 LEU 91 CG 0.0022 0.0053 0.0041 1759 LEU 91 CD1 0.0004 0.0073 0.0038 1760 LEU 91 CD2 0.0022 0.0048 0.0056 1761 HIS 92 N 0.0058 0.0024 0.0009 1762 HIS 92 CA 0.0067 0.0018 -0.0006 1763 HIS 92 C 0.0074 0.0019 -0.0032 1764 HIS 92 O 0.0076 0.0022 -0.0047 1765 HIS 92 CB 0.0083 -0.0002 0.0002 1766 HIS 92 CG 0.0081 -0.0006 0.0020 1767 HIS 92 ND1 0.0075 -0.0007 0.0043 1768 HIS 92 CD2 0.0087 -0.0013 0.0021 1769 HIS 92 CE1 0.0075 -0.0011 0.0054 1770 HIS 92 NE2 0.0083 -0.0015 0.0041 1771 CYS 93 N 0.0073 0.0021 -0.0034 1772 CYS 93 CA 0.0076 0.0025 -0.0056 1773 CYS 93 C 0.0060 0.0046 -0.0066 1774 CYS 93 O 0.0062 0.0049 -0.0082 1775 CYS 93 CB 0.0081 0.0019 -0.0053 1776 CYS 93 SG 0.0083 0.0025 -0.0081 1777 ASP 94 N 0.0039 0.0073 -0.0075 1778 ASP 94 CA 0.0022 0.0092 -0.0092 1779 ASP 94 C 0.0013 0.0081 -0.0078 1780 ASP 94 O 0.0008 0.0094 -0.0091 1781 ASP 94 CB -0.0010 0.0100 -0.0094 1782 ASP 94 CG -0.0012 0.0116 -0.0112 1783 ASP 94 OD1 0.0013 0.0120 -0.0123 1784 ASP 94 OD2 -0.0031 0.0113 -0.0104 1785 LYS 95 N 0.0007 0.0062 -0.0054 1786 LYS 95 CA 0.0002 0.0056 -0.0046 1787 LYS 95 C 0.0021 0.0041 -0.0033 1788 LYS 95 O 0.0028 0.0041 -0.0035 1789 LYS 95 CB -0.0031 0.0044 -0.0024 1790 LYS 95 CG -0.0062 0.0059 -0.0035 1791 LYS 95 CD -0.0067 0.0079 -0.0056 1792 LYS 95 CE -0.0101 0.0091 -0.0062 1793 LYS 95 NZ -0.0109 0.0109 -0.0081 1794 LEU 96 N 0.0043 0.0024 -0.0019 1795 LEU 96 CA 0.0069 0.0010 -0.0009 1796 LEU 96 C 0.0103 0.0015 -0.0022 1797 LEU 96 O 0.0121 0.0006 -0.0016 1798 LEU 96 CB 0.0069 -0.0013 0.0017 1799 LEU 96 CG 0.0035 -0.0022 0.0035 1800 LEU 96 CD1 0.0045 -0.0043 0.0058 1801 LEU 96 CD2 0.0026 -0.0026 0.0042 1802 HIS 97 N 0.0106 -0.0003 -0.0024 1803 HIS 97 CA 0.0100 -0.0009 -0.0027 1804 HIS 97 C 0.0093 -0.0014 -0.0034 1805 HIS 97 O 0.0089 -0.0016 -0.0041 1806 HIS 97 CB 0.0101 -0.0005 -0.0031 1807 HIS 97 CG 0.0109 0.0001 -0.0024 1808 HIS 97 ND1 0.0110 -0.0001 -0.0013 1809 HIS 97 CD2 0.0115 0.0010 -0.0028 1810 HIS 97 CE1 0.0118 0.0006 -0.0011 1811 HIS 97 NE2 0.0120 0.0012 -0.0019 1812 VAL 98 N 0.0091 -0.0018 -0.0031 1813 VAL 98 CA 0.0085 -0.0022 -0.0039 1814 VAL 98 C 0.0078 -0.0032 -0.0034 1815 VAL 98 O 0.0079 -0.0035 -0.0026 1816 VAL 98 CB 0.0086 -0.0021 -0.0039 1817 VAL 98 CG1 0.0079 -0.0025 -0.0046 1818 VAL 98 CG2 0.0092 -0.0010 -0.0045 1819 ASP 99 N 0.0072 -0.0037 -0.0039 1820 ASP 99 CA 0.0066 -0.0046 -0.0036 1821 ASP 99 C 0.0064 -0.0049 -0.0036 1822 ASP 99 O 0.0062 -0.0048 -0.0043 1823 ASP 99 CB 0.0061 -0.0048 -0.0045 1824 ASP 99 CG 0.0053 -0.0058 -0.0043 1825 ASP 99 OD1 0.0050 -0.0060 -0.0050 1826 ASP 99 OD2 0.0053 -0.0062 -0.0035 1827 PRO 100 N 0.0074 -0.0055 -0.0044 1828 PRO 100 CA 0.0073 -0.0052 -0.0048 1829 PRO 100 C 0.0075 -0.0046 -0.0044 1830 PRO 100 O 0.0075 -0.0045 -0.0047 1831 PRO 100 CB 0.0072 -0.0049 -0.0054 1832 PRO 100 CG 0.0072 -0.0051 -0.0054 1833 PRO 100 CD 0.0073 -0.0055 -0.0047 1834 GLU 101 N 0.0077 -0.0045 -0.0038 1835 GLU 101 CA 0.0078 -0.0040 -0.0034 1836 GLU 101 C 0.0078 -0.0043 -0.0032 1837 GLU 101 O 0.0079 -0.0041 -0.0032 1838 GLU 101 CB 0.0080 -0.0038 -0.0028 1839 GLU 101 CG 0.0082 -0.0034 -0.0023 1840 GLU 101 CD 0.0082 -0.0025 -0.0028 1841 GLU 101 OE1 0.0081 -0.0025 -0.0032 1842 GLU 101 OE2 0.0083 -0.0024 -0.0024 1843 ASN 102 N 0.0077 -0.0051 -0.0032 1844 ASN 102 CA 0.0077 -0.0054 -0.0031 1845 ASN 102 C 0.0076 -0.0053 -0.0036 1846 ASN 102 O 0.0076 -0.0053 -0.0034 1847 ASN 102 CB 0.0076 -0.0062 -0.0030 1848 ASN 102 CG 0.0077 -0.0064 -0.0023 1849 ASN 102 OD1 0.0078 -0.0064 -0.0019 1850 ASN 102 ND2 0.0076 -0.0066 -0.0025 1851 PHE 103 N 0.0088 -0.0061 -0.0031 1852 PHE 103 CA 0.0091 -0.0061 -0.0027 1853 PHE 103 C 0.0087 -0.0064 -0.0030 1854 PHE 103 O 0.0088 -0.0063 -0.0029 1855 PHE 103 CB 0.0095 -0.0062 -0.0022 1856 PHE 103 CG 0.0099 -0.0059 -0.0020 1857 PHE 103 CD1 0.0100 -0.0053 -0.0022 1858 PHE 103 CD2 0.0100 -0.0063 -0.0016 1859 PHE 103 CE1 0.0102 -0.0050 -0.0021 1860 PHE 103 CE2 0.0103 -0.0059 -0.0014 1861 PHE 103 CZ 0.0104 -0.0053 -0.0017 1862 ARG 104 N 0.0084 -0.0070 -0.0030 1863 ARG 104 CA 0.0081 -0.0074 -0.0031 1864 ARG 104 C 0.0077 -0.0071 -0.0037 1865 ARG 104 O 0.0076 -0.0071 -0.0038 1866 ARG 104 CB 0.0078 -0.0081 -0.0031 1867 ARG 104 CG 0.0081 -0.0085 -0.0025 1868 ARG 104 CD 0.0078 -0.0092 -0.0024 1869 ARG 104 NE 0.0084 -0.0092 -0.0018 1870 ARG 104 CZ 0.0079 -0.0102 -0.0018 1871 ARG 104 NH1 0.0072 -0.0104 -0.0023 1872 ARG 104 NH2 0.0083 -0.0107 -0.0010 1873 LEU 105 N 0.0075 -0.0069 -0.0041 1874 LEU 105 CA 0.0072 -0.0065 -0.0046 1875 LEU 105 C 0.0075 -0.0059 -0.0046 1876 LEU 105 O 0.0073 -0.0058 -0.0049 1877 LEU 105 CB 0.0070 -0.0063 -0.0050 1878 LEU 105 CG 0.0066 -0.0068 -0.0051 1879 LEU 105 CD1 0.0065 -0.0064 -0.0054 1880 LEU 105 CD2 0.0061 -0.0072 -0.0055 1881 LEU 106 N 0.0075 -0.0091 -0.0044 1882 LEU 106 CA 0.0075 -0.0088 -0.0038 1883 LEU 106 C 0.0084 -0.0084 -0.0037 1884 LEU 106 O 0.0086 -0.0079 -0.0030 1885 LEU 106 CB 0.0069 -0.0091 -0.0040 1886 LEU 106 CG 0.0068 -0.0089 -0.0034 1887 LEU 106 CD1 0.0064 -0.0086 -0.0026 1888 LEU 106 CD2 0.0065 -0.0092 -0.0039 1889 GLY 107 N 0.0090 -0.0084 -0.0043 1890 GLY 107 CA 0.0099 -0.0081 -0.0043 1891 GLY 107 C 0.0103 -0.0077 -0.0038 1892 GLY 107 O 0.0107 -0.0072 -0.0033 1893 ASN 108 N 0.0101 -0.0077 -0.0038 1894 ASN 108 CA 0.0106 -0.0072 -0.0033 1895 ASN 108 C 0.0101 -0.0069 -0.0023 1896 ASN 108 O 0.0105 -0.0065 -0.0018 1897 ASN 108 CB 0.0104 -0.0074 -0.0035 1898 ASN 108 CG 0.0113 -0.0075 -0.0044 1899 ASN 108 OD1 0.0119 -0.0073 -0.0044 1900 ASN 108 ND2 0.0109 -0.0077 -0.0044 1901 VAL 109 N 0.0078 -0.0061 -0.0040 1902 VAL 109 CA 0.0072 -0.0051 -0.0034 1903 VAL 109 C 0.0080 -0.0044 -0.0030 1904 VAL 109 O 0.0081 -0.0033 -0.0023 1905 VAL 109 CB 0.0060 -0.0053 -0.0034 1906 VAL 109 CG1 0.0055 -0.0043 -0.0027 1907 VAL 109 CG2 0.0048 -0.0060 -0.0037 1908 LEU 110 N 0.0089 -0.0047 -0.0033 1909 LEU 110 CA 0.0099 -0.0040 -0.0030 1910 LEU 110 C 0.0107 -0.0034 -0.0027 1911 LEU 110 O 0.0111 -0.0024 -0.0021 1912 LEU 110 CB 0.0105 -0.0047 -0.0034 1913 LEU 110 CG 0.0116 -0.0040 -0.0031 1914 LEU 110 CD1 0.0111 -0.0030 -0.0024 1915 LEU 110 CD2 0.0124 -0.0046 -0.0035 1916 VAL 111 N 0.0113 -0.0040 -0.0031 1917 VAL 111 CA 0.0122 -0.0036 -0.0029 1918 VAL 111 C 0.0114 -0.0027 -0.0023 1919 VAL 111 O 0.0120 -0.0017 -0.0018 1920 VAL 111 CB 0.0126 -0.0046 -0.0035 1921 VAL 111 CG1 0.0132 -0.0040 -0.0032 1922 VAL 111 CG2 0.0136 -0.0051 -0.0039 1923 CYS 112 N 0.0140 -0.0017 -0.0007 1924 CYS 112 CA 0.0136 -0.0014 -0.0002 1925 CYS 112 C 0.0136 -0.0011 0.0000 1926 CYS 112 O 0.0137 -0.0006 0.0003 1927 CYS 112 CB 0.0131 -0.0015 0.0000 1928 CYS 112 SG 0.0132 -0.0018 -0.0002 1929 VAL 113 N 0.0134 -0.0014 -0.0001 1930 VAL 113 CA 0.0134 -0.0012 0.0001 1931 VAL 113 C 0.0139 -0.0009 0.0000 1932 VAL 113 O 0.0139 -0.0004 0.0004 1933 VAL 113 CB 0.0131 -0.0016 -0.0000 1934 VAL 113 CG1 0.0131 -0.0014 0.0001 1935 VAL 113 CG2 0.0125 -0.0019 0.0002 1936 LEU 114 N 0.0144 -0.0009 -0.0003 1937 LEU 114 CA 0.0149 -0.0005 -0.0004 1938 LEU 114 C 0.0150 -0.0000 -0.0001 1939 LEU 114 O 0.0153 0.0004 0.0000 1940 LEU 114 CB 0.0153 -0.0008 -0.0009 1941 LEU 114 CG 0.0152 -0.0013 -0.0012 1942 LEU 114 CD1 0.0156 -0.0015 -0.0016 1943 LEU 114 CD2 0.0153 -0.0011 -0.0011 1944 ALA 115 N 0.0194 -0.0018 -0.0003 1945 ALA 115 CA 0.0198 -0.0012 0.0001 1946 ALA 115 C 0.0191 -0.0004 0.0010 1947 ALA 115 O 0.0196 0.0003 0.0015 1948 ALA 115 CB 0.0197 -0.0018 -0.0004 1949 HIS 116 N 0.0180 -0.0006 0.0010 1950 HIS 116 CA 0.0173 0.0001 0.0018 1951 HIS 116 C 0.0176 0.0007 0.0023 1952 HIS 116 O 0.0177 0.0015 0.0030 1953 HIS 116 CB 0.0162 -0.0003 0.0017 1954 HIS 116 CG 0.0153 0.0002 0.0024 1955 HIS 116 ND1 0.0145 0.0003 0.0026 1956 HIS 116 CD2 0.0151 0.0008 0.0029 1957 HIS 116 CE1 0.0138 0.0009 0.0033 1958 HIS 116 NE2 0.0143 0.0012 0.0035 1959 HIS 117 N 0.0177 0.0004 0.0021 1960 HIS 117 CA 0.0181 0.0009 0.0024 1961 HIS 117 C 0.0192 0.0014 0.0027 1962 HIS 117 O 0.0193 0.0022 0.0034 1963 HIS 117 CB 0.0182 0.0004 0.0020 1964 HIS 117 CG 0.0174 0.0006 0.0023 1965 HIS 117 ND1 0.0162 0.0001 0.0021 1966 HIS 117 CD2 0.0173 0.0011 0.0028 1967 HIS 117 CE1 0.0151 0.0001 0.0023 1968 HIS 117 NE2 0.0157 0.0002 0.0023 1969 PHE 118 N 0.0292 -0.0028 -0.0078 1970 PHE 118 CA 0.0180 -0.0061 -0.0084 1971 PHE 118 C 0.0165 -0.0104 -0.0111 1972 PHE 118 O 0.0073 -0.0156 -0.0133 1973 PHE 118 CB 0.0105 0.0002 -0.0030 1974 PHE 118 CG 0.0103 0.0008 -0.0026 1975 PHE 118 CD1 0.0151 0.0090 0.0022 1976 PHE 118 CD2 0.0074 -0.0067 -0.0073 1977 PHE 118 CE1 0.0145 0.0107 0.0034 1978 PHE 118 CE2 0.0053 -0.0039 -0.0051 1979 PHE 118 CZ 0.0119 0.0018 -0.0022 1980 GLY 119 N 0.0237 -0.0078 -0.0104 1981 GLY 119 CA 0.0223 -0.0122 -0.0132 1982 GLY 119 C 0.0116 -0.0099 -0.0100 1983 GLY 119 O 0.0063 -0.0020 -0.0039 1984 LYS 120 N 0.0054 -0.0166 -0.0137 1985 LYS 120 CA -0.0054 -0.0152 -0.0112 1986 LYS 120 C -0.0157 -0.0130 -0.0082 1987 LYS 120 O -0.0230 -0.0088 -0.0043 1988 LYS 120 CB -0.0111 -0.0252 -0.0171 1989 LYS 120 CG -0.0154 -0.0319 -0.0210 1990 LYS 120 CD -0.0205 -0.0412 -0.0265 1991 LYS 120 CE -0.0257 -0.0468 -0.0296 1992 LYS 120 NZ -0.0330 -0.0542 -0.0335 1993 GLU 121 N -0.0008 -0.0112 -0.0078 1994 GLU 121 CA -0.0037 -0.0102 -0.0083 1995 GLU 121 C -0.0036 -0.0062 -0.0074 1996 GLU 121 O -0.0066 -0.0045 -0.0078 1997 GLU 121 CB -0.0049 -0.0132 -0.0094 1998 GLU 121 CG -0.0077 -0.0134 -0.0103 1999 GLU 121 CD -0.0077 -0.0167 -0.0112 2000 GLU 121 OE1 -0.0122 -0.0147 -0.0120 2001 GLU 121 OE2 -0.0073 -0.0190 -0.0116 2002 PHE 122 N -0.0004 -0.0051 -0.0061 2003 PHE 122 CA -0.0002 -0.0015 -0.0052 2004 PHE 122 C -0.0004 0.0011 -0.0046 2005 PHE 122 O 0.0022 0.0023 -0.0035 2006 PHE 122 CB 0.0035 -0.0018 -0.0041 2007 PHE 122 CG 0.0034 0.0013 -0.0034 2008 PHE 122 CD1 0.0011 0.0016 -0.0040 2009 PHE 122 CD2 0.0058 0.0036 -0.0021 2010 PHE 122 CE1 0.0011 0.0043 -0.0033 2011 PHE 122 CE2 0.0059 0.0067 -0.0013 2012 PHE 122 CZ 0.0032 0.0068 -0.0021 2013 THR 123 N -0.0034 0.0017 -0.0053 2014 THR 123 CA -0.0039 0.0038 -0.0050 2015 THR 123 C -0.0030 0.0081 -0.0036 2016 THR 123 O -0.0035 0.0087 -0.0036 2017 THR 123 CB -0.0075 0.0038 -0.0061 2018 THR 123 OG1 -0.0101 0.0046 -0.0066 2019 THR 123 CG2 -0.0083 -0.0001 -0.0073 2020 PRO 124 N -0.0032 0.0100 -0.0071 2021 PRO 124 CA -0.0030 0.0109 -0.0074 2022 PRO 124 C -0.0037 0.0110 -0.0084 2023 PRO 124 O -0.0039 0.0111 -0.0086 2024 PRO 124 CB -0.0024 0.0118 -0.0072 2025 PRO 124 CG -0.0019 0.0114 -0.0063 2026 PRO 124 CD -0.0025 0.0104 -0.0065 2027 PRO 125 N -0.0042 0.0111 -0.0090 2028 PRO 125 CA -0.0049 0.0112 -0.0100 2029 PRO 125 C -0.0055 0.0103 -0.0102 2030 PRO 125 O -0.0059 0.0104 -0.0107 2031 PRO 125 CB -0.0053 0.0114 -0.0106 2032 PRO 125 CG -0.0047 0.0117 -0.0100 2033 PRO 125 CD -0.0041 0.0112 -0.0090 2034 VAL 126 N -0.0055 0.0094 -0.0097 2035 VAL 126 CA -0.0060 0.0085 -0.0097 2036 VAL 126 C -0.0056 0.0084 -0.0093 2037 VAL 126 O -0.0061 0.0081 -0.0098 2038 VAL 126 CB -0.0060 0.0075 -0.0092 2039 VAL 126 CG1 -0.0065 0.0065 -0.0093 2040 VAL 126 CG2 -0.0065 0.0073 -0.0097 2041 GLN 127 N -0.0031 0.0038 -0.0084 2042 GLN 127 CA -0.0023 0.0039 -0.0071 2043 GLN 127 C -0.0027 0.0048 -0.0080 2044 GLN 127 O -0.0027 0.0045 -0.0079 2045 GLN 127 CB -0.0011 0.0046 -0.0050 2046 GLN 127 CG -0.0005 0.0048 -0.0039 2047 GLN 127 CD 0.0006 0.0059 -0.0020 2048 GLN 127 OE1 0.0010 0.0065 -0.0015 2049 GLN 127 NE2 0.0013 0.0062 -0.0009 2050 ALA 128 N -0.0030 0.0071 -0.0086 2051 ALA 128 CA -0.0034 0.0085 -0.0095 2052 ALA 128 C -0.0044 0.0075 -0.0111 2053 ALA 128 O -0.0044 0.0075 -0.0112 2054 ALA 128 CB -0.0036 0.0109 -0.0099 2055 ALA 129 N -0.0052 0.0063 -0.0125 2056 ALA 129 CA -0.0061 0.0051 -0.0140 2057 ALA 129 C -0.0057 0.0030 -0.0131 2058 ALA 129 O -0.0061 0.0029 -0.0139 2059 ALA 129 CB -0.0069 0.0043 -0.0153 2060 TYR 130 N -0.0004 0.0045 -0.0070 2061 TYR 130 CA -0.0013 0.0041 -0.0070 2062 TYR 130 C -0.0022 0.0029 -0.0073 2063 TYR 130 O -0.0026 0.0022 -0.0074 2064 TYR 130 CB -0.0022 0.0052 -0.0065 2065 TYR 130 CG -0.0017 0.0061 -0.0063 2066 TYR 130 CD1 -0.0019 0.0061 -0.0063 2067 TYR 130 CD2 -0.0010 0.0072 -0.0061 2068 TYR 130 CE1 -0.0013 0.0069 -0.0062 2069 TYR 130 CE2 -0.0001 0.0081 -0.0059 2070 TYR 130 CZ -0.0006 0.0079 -0.0059 2071 TYR 130 OH 0.0000 0.0087 -0.0058 2072 GLN 131 N -0.0025 0.0026 -0.0073 2073 GLN 131 CA -0.0031 0.0014 -0.0076 2074 GLN 131 C -0.0024 0.0002 -0.0080 2075 GLN 131 O -0.0031 -0.0006 -0.0082 2076 GLN 131 CB -0.0034 0.0012 -0.0076 2077 GLN 131 CG -0.0045 0.0022 -0.0072 2078 GLN 131 CD -0.0060 0.0019 -0.0071 2079 GLN 131 OE1 -0.0067 0.0027 -0.0068 2080 GLN 131 NE2 -0.0065 0.0009 -0.0074 2081 LYS 132 N -0.0011 0.0003 -0.0082 2082 LYS 132 CA -0.0002 -0.0007 -0.0085 2083 LYS 132 C -0.0003 -0.0009 -0.0086 2084 LYS 132 O -0.0005 -0.0019 -0.0089 2085 LYS 132 CB 0.0011 -0.0005 -0.0087 2086 LYS 132 CG 0.0013 -0.0008 -0.0088 2087 LYS 132 CD 0.0027 -0.0005 -0.0088 2088 LYS 132 CE 0.0025 -0.0007 -0.0089 2089 LYS 132 NZ 0.0043 -0.0005 -0.0090 2090 VAL 133 N 0.0021 -0.0042 -0.0066 2091 VAL 133 CA 0.0031 -0.0047 -0.0069 2092 VAL 133 C 0.0039 -0.0050 -0.0062 2093 VAL 133 O 0.0046 -0.0052 -0.0057 2094 VAL 133 CB 0.0033 -0.0049 -0.0081 2095 VAL 133 CG1 0.0043 -0.0053 -0.0083 2096 VAL 133 CG2 0.0025 -0.0046 -0.0088 2097 VAL 134 N 0.0038 -0.0049 -0.0060 2098 VAL 134 CA 0.0045 -0.0051 -0.0055 2099 VAL 134 C 0.0045 -0.0050 -0.0044 2100 VAL 134 O 0.0053 -0.0053 -0.0037 2101 VAL 134 CB 0.0046 -0.0052 -0.0054 2102 VAL 134 CG1 0.0048 -0.0054 -0.0066 2103 VAL 134 CG2 0.0037 -0.0047 -0.0052 2104 ALA 135 N 0.0036 -0.0046 -0.0038 2105 ALA 135 CA 0.0036 -0.0044 -0.0027 2106 ALA 135 C 0.0041 -0.0047 -0.0025 2107 ALA 135 O 0.0046 -0.0048 -0.0017 2108 ALA 135 CB 0.0026 -0.0040 -0.0023 2109 GLY 136 N 0.0053 -0.0066 -0.0016 2110 GLY 136 CA 0.0050 -0.0062 -0.0012 2111 GLY 136 C 0.0057 -0.0059 -0.0012 2112 GLY 136 O 0.0058 -0.0054 -0.0009 2113 VAL 137 N 0.0060 -0.0064 -0.0018 2114 VAL 137 CA 0.0066 -0.0061 -0.0019 2115 VAL 137 C 0.0072 -0.0056 -0.0018 2116 VAL 137 O 0.0075 -0.0051 -0.0015 2117 VAL 137 CB 0.0069 -0.0067 -0.0025 2118 VAL 137 CG1 0.0075 -0.0064 -0.0025 2119 VAL 137 CG2 0.0062 -0.0071 -0.0025 2120 ALA 138 N 0.0074 -0.0057 -0.0019 2121 ALA 138 CA 0.0080 -0.0052 -0.0018 2122 ALA 138 C 0.0079 -0.0046 -0.0013 2123 ALA 138 O 0.0083 -0.0041 -0.0010 2124 ALA 138 CB 0.0082 -0.0055 -0.0021 2125 ASN 139 N 0.0092 -0.0062 0.0001 2126 ASN 139 CA 0.0085 -0.0045 0.0004 2127 ASN 139 C 0.0069 -0.0032 0.0015 2128 ASN 139 O 0.0070 -0.0014 0.0012 2129 ASN 139 CB 0.0076 -0.0054 0.0013 2130 ASN 139 CG 0.0082 -0.0056 0.0008 2131 ASN 139 OD1 0.0100 -0.0060 -0.0006 2132 ASN 139 ND2 0.0087 -0.0079 0.0006 2133 ALA 140 N 0.0060 -0.0042 0.0023 2134 ALA 140 CA 0.0047 -0.0030 0.0032 2135 ALA 140 C 0.0054 -0.0018 0.0025 2136 ALA 140 O 0.0048 0.0001 0.0027 2137 ALA 140 CB 0.0035 -0.0044 0.0044 2138 LEU 141 N 0.0066 -0.0022 0.0016 2139 LEU 141 CA 0.0074 -0.0011 0.0008 2140 LEU 141 C 0.0080 0.0007 0.0002 2141 LEU 141 O 0.0085 0.0022 -0.0005 2142 LEU 141 CB 0.0084 -0.0023 0.0002 2143 LEU 141 CG 0.0076 -0.0032 0.0009 2144 LEU 141 CD1 0.0088 -0.0045 0.0001 2145 LEU 141 CD2 0.0069 -0.0018 0.0013 2146 ALA 142 N 0.0114 -0.0041 -0.0030 2147 ALA 142 CA 0.0131 -0.0019 -0.0036 2148 ALA 142 C 0.0107 0.0011 -0.0029 2149 ALA 142 O 0.0123 0.0035 -0.0034 2150 ALA 142 CB 0.0149 -0.0021 -0.0042 2151 HIS 143 N 0.0085 0.0005 -0.0021 2152 HIS 143 CA 0.0062 0.0023 -0.0014 2153 HIS 143 C 0.0064 0.0055 -0.0015 2154 HIS 143 O 0.0058 0.0078 -0.0014 2155 HIS 143 CB 0.0037 0.0011 -0.0006 2156 HIS 143 CG 0.0014 0.0033 0.0001 2157 HIS 143 ND1 -0.0004 0.0038 0.0006 2158 HIS 143 CD2 0.0022 0.0040 -0.0002 2159 HIS 143 CE1 -0.0018 0.0054 0.0010 2160 HIS 143 NE2 0.0002 0.0059 0.0004 2161 LYS 144 N 0.0067 0.0053 -0.0017 2162 LYS 144 CA 0.0063 0.0079 -0.0015 2163 LYS 144 C 0.0088 0.0090 -0.0024 2164 LYS 144 O 0.0090 0.0111 -0.0025 2165 LYS 144 CB 0.0049 0.0067 -0.0011 2166 LYS 144 CG 0.0016 0.0062 -0.0000 2167 LYS 144 CD -0.0002 0.0084 0.0005 2168 LYS 144 CE -0.0036 0.0109 0.0015 2169 LYS 144 NZ -0.0050 0.0097 0.0020 2170 TYR 145 N 0.0115 0.0011 -0.0113 2171 TYR 145 CA 0.0112 0.0010 -0.0119 2172 TYR 145 C 0.0108 0.0009 -0.0149 2173 TYR 145 O 0.0126 0.0010 -0.0157 2174 TYR 145 CB 0.0119 0.0012 -0.0109 2175 TYR 145 CG 0.0112 0.0012 -0.0082 2176 TYR 145 CD1 0.0101 0.0011 -0.0079 2177 TYR 145 CD2 0.0114 0.0013 -0.0068 2178 TYR 145 CE1 0.0092 0.0011 -0.0059 2179 TYR 145 CE2 0.0102 0.0012 -0.0042 2180 TYR 145 CZ 0.0092 0.0012 -0.0037 2181 TYR 145 OH 0.0087 0.0012 -0.0015 2182 HIS 146 N 0.0096 0.0007 -0.0158 2183 HIS 146 CA 0.0090 0.0005 -0.0186 2184 HIS 146 C 0.0078 0.0004 -0.0190 2185 HIS 146 O 0.0067 0.0003 -0.0172 2186 HIS 146 CB 0.0081 0.0004 -0.0196 2187 HIS 146 CG 0.0046 0.0000 -0.0192 2188 HIS 146 ND1 0.0039 -0.0001 -0.0199 2189 HIS 146 CD2 0.0045 0.0001 -0.0166 2190 HIS 146 CE1 0.0011 -0.0003 -0.0185 2191 HIS 146 NE2 0.0021 -0.0001 -0.0168 2192 HIS 146 OXT 0.0078 0.0003 -0.0210 2193 VAL 1 N 0.0022 0.0176 -0.0320 2194 VAL 1 CA -0.0006 0.0184 -0.0274 2195 VAL 1 C -0.0030 0.0182 -0.0183 2196 VAL 1 O -0.0064 0.0197 -0.0164 2197 VAL 1 CB -0.0051 0.0214 -0.0311 2198 VAL 1 CG1 -0.0096 0.0226 -0.0238 2199 VAL 1 CG2 -0.0052 0.0220 -0.0340 2200 LEU 2 N 0.0011 0.0152 -0.0135 2201 LEU 2 CA 0.0020 0.0136 -0.0068 2202 LEU 2 C -0.0048 0.0162 -0.0004 2203 LEU 2 O -0.0032 0.0154 -0.0003 2204 LEU 2 CB 0.0078 0.0099 -0.0038 2205 LEU 2 CG 0.0140 0.0070 -0.0063 2206 LEU 2 CD1 0.0197 0.0037 -0.0050 2207 LEU 2 CD2 0.0130 0.0077 -0.0073 2208 SER 3 N -0.0094 0.0184 0.0015 2209 SER 3 CA -0.0145 0.0203 0.0072 2210 SER 3 C -0.0113 0.0174 0.0139 2211 SER 3 O -0.0062 0.0142 0.0165 2212 SER 3 CB -0.0195 0.0230 0.0069 2213 SER 3 OG -0.0181 0.0216 0.0113 2214 PRO 4 N -0.0171 0.0252 0.0323 2215 PRO 4 CA -0.0186 0.0195 0.0380 2216 PRO 4 C -0.0156 0.0143 0.0360 2217 PRO 4 O -0.0142 0.0068 0.0379 2218 PRO 4 CB -0.0248 0.0245 0.0454 2219 PRO 4 CG -0.0263 0.0327 0.0431 2220 PRO 4 CD -0.0211 0.0339 0.0340 2221 ALA 5 N -0.0150 0.0199 0.0318 2222 ALA 5 CA -0.0118 0.0161 0.0287 2223 ALA 5 C -0.0061 0.0082 0.0238 2224 ALA 5 O -0.0037 0.0022 0.0233 2225 ALA 5 CB -0.0112 0.0214 0.0248 2226 ASP 6 N -0.0040 0.0122 0.0181 2227 ASP 6 CA 0.0012 0.0066 0.0127 2228 ASP 6 C 0.0013 -0.0021 0.0175 2229 ASP 6 O 0.0053 -0.0092 0.0150 2230 ASP 6 CB 0.0030 0.0107 0.0074 2231 ASP 6 CG 0.0044 0.0179 0.0011 2232 ASP 6 OD1 0.0067 0.0172 -0.0024 2233 ASP 6 OD2 0.0038 0.0235 -0.0011 2234 LYS 7 N -0.0017 0.0047 0.0138 2235 LYS 7 CA -0.0027 -0.0003 0.0170 2236 LYS 7 C -0.0024 -0.0047 0.0188 2237 LYS 7 O -0.0005 -0.0091 0.0193 2238 LYS 7 CB -0.0062 0.0028 0.0184 2239 LYS 7 CG -0.0057 0.0078 0.0156 2240 LYS 7 CD -0.0088 0.0096 0.0173 2241 LYS 7 CE -0.0104 0.0143 0.0165 2242 LYS 7 NZ -0.0128 0.0184 0.0165 2243 THR 8 N -0.0053 -0.0037 0.0207 2244 THR 8 CA -0.0053 -0.0085 0.0230 2245 THR 8 C -0.0015 -0.0119 0.0215 2246 THR 8 O -0.0004 -0.0167 0.0228 2247 THR 8 CB -0.0097 -0.0061 0.0255 2248 THR 8 OG1 -0.0134 -0.0043 0.0277 2249 THR 8 CG2 -0.0105 -0.0105 0.0282 2250 ASN 9 N 0.0013 -0.0091 0.0178 2251 ASN 9 CA 0.0061 -0.0115 0.0150 2252 ASN 9 C 0.0093 -0.0144 0.0137 2253 ASN 9 O 0.0116 -0.0192 0.0141 2254 ASN 9 CB 0.0079 -0.0073 0.0115 2255 ASN 9 CG 0.0062 -0.0058 0.0122 2256 ASN 9 OD1 0.0038 -0.0084 0.0154 2257 ASN 9 ND2 0.0060 -0.0013 0.0102 2258 VAL 10 N 0.0048 -0.0082 0.0082 2259 VAL 10 CA 0.0048 -0.0083 0.0082 2260 VAL 10 C 0.0017 -0.0109 0.0082 2261 VAL 10 O 0.0028 -0.0125 0.0076 2262 VAL 10 CB 0.0043 -0.0049 0.0091 2263 VAL 10 CG1 0.0042 -0.0047 0.0091 2264 VAL 10 CG2 0.0073 -0.0027 0.0089 2265 LYS 11 N -0.0010 -0.0107 0.0089 2266 LYS 11 CA -0.0035 -0.0134 0.0089 2267 LYS 11 C -0.0030 -0.0163 0.0080 2268 LYS 11 O -0.0030 -0.0187 0.0075 2269 LYS 11 CB -0.0065 -0.0120 0.0099 2270 LYS 11 CG -0.0079 -0.0089 0.0110 2271 LYS 11 CD -0.0114 -0.0087 0.0119 2272 LYS 11 CE -0.0128 -0.0060 0.0129 2273 LYS 11 NZ -0.0135 -0.0031 0.0137 2274 ALA 12 N -0.0013 -0.0168 0.0075 2275 ALA 12 CA -0.0002 -0.0197 0.0065 2276 ALA 12 C 0.0017 -0.0217 0.0056 2277 ALA 12 O 0.0020 -0.0244 0.0049 2278 ALA 12 CB 0.0011 -0.0207 0.0060 2279 ALA 13 N -0.0053 -0.0142 -0.0011 2280 ALA 13 CA -0.0039 -0.0136 0.0002 2281 ALA 13 C -0.0030 -0.0123 -0.0001 2282 ALA 13 O -0.0020 -0.0121 0.0011 2283 ALA 13 CB -0.0037 -0.0136 0.0004 2284 TRP 14 N -0.0030 -0.0110 -0.0015 2285 TRP 14 CA -0.0019 -0.0095 -0.0018 2286 TRP 14 C -0.0021 -0.0097 -0.0019 2287 TRP 14 O -0.0011 -0.0090 -0.0012 2288 TRP 14 CB -0.0022 -0.0085 -0.0034 2289 TRP 14 CG -0.0009 -0.0070 -0.0033 2290 TRP 14 CD1 -0.0007 -0.0059 -0.0043 2291 TRP 14 CD2 0.0003 -0.0063 -0.0025 2292 TRP 14 NE1 0.0006 -0.0047 -0.0039 2293 TRP 14 CE2 0.0013 -0.0047 -0.0030 2294 TRP 14 CE3 0.0005 -0.0068 -0.0016 2295 TRP 14 CZ2 0.0025 -0.0039 -0.0021 2296 TRP 14 CZ3 0.0018 -0.0060 -0.0007 2297 TRP 14 CH2 0.0029 -0.0043 -0.0012 2298 GLY 15 N -0.0030 -0.0105 -0.0022 2299 GLY 15 CA -0.0037 -0.0112 -0.0022 2300 GLY 15 C -0.0028 -0.0117 -0.0006 2301 GLY 15 O -0.0018 -0.0107 -0.0002 2302 LYS 16 N -0.0060 -0.0081 -0.0030 2303 LYS 16 CA -0.0065 -0.0090 0.0012 2304 LYS 16 C -0.0051 -0.0044 0.0043 2305 LYS 16 O -0.0044 -0.0020 0.0069 2306 LYS 16 CB -0.0078 -0.0125 0.0043 2307 LYS 16 CG -0.0083 -0.0140 0.0041 2308 LYS 16 CD -0.0079 -0.0120 0.0098 2309 LYS 16 CE -0.0076 -0.0109 0.0117 2310 LYS 16 NZ -0.0067 -0.0077 0.0159 2311 VAL 17 N -0.0046 -0.0031 0.0030 2312 VAL 17 CA -0.0035 0.0005 0.0051 2313 VAL 17 C -0.0022 0.0039 0.0039 2314 VAL 17 O -0.0011 0.0075 0.0061 2315 VAL 17 CB -0.0034 0.0006 0.0056 2316 VAL 17 CG1 -0.0021 0.0046 0.0060 2317 VAL 17 CG2 -0.0049 -0.0034 0.0090 2318 GLY 18 N -0.0019 0.0042 -0.0011 2319 GLY 18 CA -0.0005 0.0081 -0.0028 2320 GLY 18 C 0.0009 0.0122 -0.0025 2321 GLY 18 O 0.0013 0.0135 -0.0017 2322 ALA 19 N 0.0105 0.0196 0.0010 2323 ALA 19 CA 0.0136 0.0221 0.0011 2324 ALA 19 C 0.0097 0.0229 0.0045 2325 ALA 19 O 0.0114 0.0246 0.0048 2326 ALA 19 CB 0.0179 0.0280 0.0034 2327 HIS 20 N 0.0028 0.0212 0.0077 2328 HIS 20 CA -0.0020 0.0211 0.0108 2329 HIS 20 C -0.0035 0.0149 0.0064 2330 HIS 20 O -0.0079 0.0141 0.0088 2331 HIS 20 CB -0.0080 0.0203 0.0143 2332 HIS 20 CG -0.0085 0.0257 0.0193 2333 HIS 20 ND1 -0.0062 0.0313 0.0226 2334 HIS 20 CD2 -0.0064 0.0270 0.0190 2335 HIS 20 CE1 -0.0040 0.0366 0.0258 2336 HIS 20 NE2 -0.0061 0.0319 0.0231 2337 ALA 21 N -0.0014 0.0107 0.0013 2338 ALA 21 CA -0.0028 0.0047 -0.0030 2339 ALA 21 C -0.0020 0.0052 -0.0031 2340 ALA 21 O -0.0077 0.0022 -0.0019 2341 ALA 21 CB 0.0017 0.0022 -0.0084 2342 GLY 22 N -0.0026 0.0084 -0.0016 2343 GLY 22 CA -0.0028 0.0096 -0.0006 2344 GLY 22 C -0.0048 0.0106 0.0019 2345 GLY 22 O -0.0068 0.0095 0.0031 2346 GLU 23 N -0.0061 0.0126 0.0046 2347 GLU 23 CA -0.0084 0.0136 0.0074 2348 GLU 23 C -0.0116 0.0100 0.0079 2349 GLU 23 O -0.0138 0.0099 0.0099 2350 GLU 23 CB -0.0088 0.0158 0.0093 2351 GLU 23 CG -0.0106 0.0176 0.0122 2352 GLU 23 CD -0.0092 0.0212 0.0133 2353 GLU 23 OE1 -0.0140 0.0175 0.0154 2354 GLU 23 OE2 -0.0084 0.0199 0.0117 2355 TYR 24 N -0.0115 0.0080 0.0066 2356 TYR 24 CA -0.0140 0.0049 0.0068 2357 TYR 24 C -0.0148 0.0025 0.0059 2358 TYR 24 O -0.0170 0.0007 0.0067 2359 TYR 24 CB -0.0142 0.0031 0.0058 2360 TYR 24 CG -0.0144 0.0048 0.0070 2361 TYR 24 CD1 -0.0142 0.0027 0.0055 2362 TYR 24 CD2 -0.0148 0.0078 0.0095 2363 TYR 24 CE1 -0.0139 0.0051 0.0068 2364 TYR 24 CE2 -0.0149 0.0097 0.0108 2365 TYR 24 CZ -0.0147 0.0074 0.0092 2366 TYR 24 OH -0.0144 0.0096 0.0103 2367 GLY 25 N -0.0103 0.0032 0.0004 2368 GLY 25 CA -0.0099 0.0041 -0.0004 2369 GLY 25 C -0.0087 0.0050 0.0004 2370 GLY 25 O -0.0084 0.0052 0.0007 2371 ALA 26 N -0.0077 0.0055 0.0014 2372 ALA 26 CA -0.0066 0.0061 0.0025 2373 ALA 26 C -0.0067 0.0054 0.0036 2374 ALA 26 O -0.0062 0.0056 0.0042 2375 ALA 26 CB -0.0057 0.0067 0.0031 2376 GLU 27 N -0.0075 0.0040 0.0044 2377 GLU 27 CA -0.0075 0.0031 0.0058 2378 GLU 27 C -0.0081 0.0029 0.0052 2379 GLU 27 O -0.0077 0.0029 0.0060 2380 GLU 27 CB -0.0085 0.0018 0.0062 2381 GLU 27 CG -0.0086 0.0010 0.0076 2382 GLU 27 CD -0.0093 -0.0003 0.0084 2383 GLU 27 OE1 -0.0102 -0.0014 0.0086 2384 GLU 27 OE2 -0.0094 -0.0003 0.0083 2385 ALA 28 N -0.0068 0.0005 0.0053 2386 ALA 28 CA -0.0069 0.0020 0.0045 2387 ALA 28 C -0.0057 0.0026 0.0036 2388 ALA 28 O -0.0051 0.0033 0.0029 2389 ALA 28 CB -0.0083 0.0027 0.0048 2390 LEU 29 N -0.0055 0.0022 0.0037 2391 LEU 29 CA -0.0043 0.0028 0.0028 2392 LEU 29 C -0.0030 0.0024 0.0024 2393 LEU 29 O -0.0020 0.0030 0.0016 2394 LEU 29 CB -0.0044 0.0023 0.0031 2395 LEU 29 CG -0.0056 0.0031 0.0032 2396 LEU 29 CD1 -0.0056 0.0024 0.0036 2397 LEU 29 CD2 -0.0057 0.0045 0.0025 2398 GLU 30 N -0.0025 0.0010 0.0029 2399 GLU 30 CA -0.0013 0.0003 0.0027 2400 GLU 30 C -0.0011 0.0011 0.0022 2401 GLU 30 O 0.0001 0.0013 0.0015 2402 GLU 30 CB -0.0011 -0.0012 0.0034 2403 GLU 30 CG 0.0003 -0.0018 0.0031 2404 GLU 30 CD 0.0009 -0.0038 0.0039 2405 GLU 30 OE1 -0.0002 -0.0040 0.0045 2406 GLU 30 OE2 0.0018 -0.0038 0.0035 2407 ARG 31 N -0.0010 -0.0015 0.0030 2408 ARG 31 CA -0.0012 -0.0007 0.0025 2409 ARG 31 C -0.0011 0.0002 0.0014 2410 ARG 31 O -0.0006 0.0005 0.0007 2411 ARG 31 CB -0.0022 -0.0003 0.0032 2412 ARG 31 CG -0.0022 -0.0011 0.0039 2413 ARG 31 CD -0.0032 -0.0006 0.0046 2414 ARG 31 NE -0.0034 -0.0013 0.0055 2415 ARG 31 CZ -0.0032 -0.0014 0.0053 2416 ARG 31 NH1 -0.0028 -0.0009 0.0044 2417 ARG 31 NH2 -0.0032 -0.0022 0.0060 2418 MET 32 N -0.0015 0.0005 0.0016 2419 MET 32 CA -0.0014 0.0014 0.0008 2420 MET 32 C -0.0003 0.0010 -0.0001 2421 MET 32 O -0.0001 0.0017 -0.0010 2422 MET 32 CB -0.0020 0.0016 0.0012 2423 MET 32 CG -0.0019 0.0024 0.0004 2424 MET 32 SD -0.0024 0.0027 0.0008 2425 MET 32 CE -0.0017 0.0015 0.0010 2426 PHE 33 N 0.0002 0.0000 0.0001 2427 PHE 33 CA 0.0012 -0.0003 -0.0007 2428 PHE 33 C 0.0017 -0.0003 -0.0012 2429 PHE 33 O 0.0024 -0.0001 -0.0022 2430 PHE 33 CB 0.0017 -0.0013 -0.0003 2431 PHE 33 CG 0.0012 -0.0014 0.0003 2432 PHE 33 CD1 0.0010 -0.0006 -0.0002 2433 PHE 33 CD2 0.0012 -0.0023 0.0011 2434 PHE 33 CE1 0.0007 -0.0006 0.0002 2435 PHE 33 CE2 0.0007 -0.0021 0.0015 2436 PHE 33 CZ 0.0005 -0.0013 0.0010 2437 LEU 34 N 0.0027 -0.0008 -0.0010 2438 LEU 34 CA 0.0031 -0.0010 -0.0011 2439 LEU 34 C 0.0028 -0.0004 -0.0015 2440 LEU 34 O 0.0032 -0.0002 -0.0019 2441 LEU 34 CB 0.0031 -0.0015 -0.0005 2442 LEU 34 CG 0.0035 -0.0022 -0.0001 2443 LEU 34 CD1 0.0035 -0.0028 0.0005 2444 LEU 34 CD2 0.0044 -0.0023 -0.0005 2445 SER 35 N 0.0020 -0.0001 -0.0013 2446 SER 35 CA 0.0017 0.0005 -0.0016 2447 SER 35 C 0.0017 0.0011 -0.0023 2448 SER 35 O 0.0016 0.0015 -0.0027 2449 SER 35 CB 0.0008 0.0007 -0.0012 2450 SER 35 OG 0.0006 0.0001 -0.0006 2451 PHE 36 N 0.0017 0.0013 -0.0025 2452 PHE 36 CA 0.0016 0.0019 -0.0031 2453 PHE 36 C 0.0023 0.0017 -0.0033 2454 PHE 36 O 0.0021 0.0017 -0.0032 2455 PHE 36 CB 0.0009 0.0022 -0.0029 2456 PHE 36 CG 0.0002 0.0024 -0.0026 2457 PHE 36 CD1 -0.0003 0.0020 -0.0019 2458 PHE 36 CD2 0.0001 0.0028 -0.0030 2459 PHE 36 CE1 -0.0009 0.0021 -0.0016 2460 PHE 36 CE2 -0.0005 0.0028 -0.0027 2461 PHE 36 CZ -0.0010 0.0025 -0.0020 2462 PRO 37 N 0.0050 -0.0006 -0.0112 2463 PRO 37 CA 0.0049 -0.0034 -0.0116 2464 PRO 37 C 0.0046 -0.0037 -0.0104 2465 PRO 37 O 0.0042 -0.0061 -0.0097 2466 PRO 37 CB 0.0056 -0.0043 -0.0147 2467 PRO 37 CG 0.0061 -0.0021 -0.0159 2468 PRO 37 CD 0.0057 -0.0001 -0.0136 2469 THR 38 N 0.0047 -0.0014 -0.0101 2470 THR 38 CA 0.0043 -0.0016 -0.0086 2471 THR 38 C 0.0036 -0.0027 -0.0061 2472 THR 38 O 0.0032 -0.0037 -0.0051 2473 THR 38 CB 0.0049 0.0017 -0.0098 2474 THR 38 OG1 0.0044 0.0034 -0.0073 2475 THR 38 CG2 0.0051 0.0032 -0.0101 2476 THR 39 N 0.0032 -0.0021 -0.0046 2477 THR 39 CA 0.0024 -0.0033 -0.0018 2478 THR 39 C 0.0021 -0.0066 -0.0018 2479 THR 39 O 0.0015 -0.0077 0.0003 2480 THR 39 CB 0.0021 -0.0024 -0.0004 2481 THR 39 OG1 0.0024 -0.0034 -0.0016 2482 THR 39 CG2 0.0024 0.0010 -0.0004 2483 LYS 40 N 0.0023 -0.0054 -0.0052 2484 LYS 40 CA 0.0017 -0.0081 -0.0052 2485 LYS 40 C 0.0014 -0.0097 -0.0047 2486 LYS 40 O 0.0010 -0.0117 -0.0042 2487 LYS 40 CB 0.0013 -0.0086 -0.0079 2488 LYS 40 CG 0.0015 -0.0073 -0.0085 2489 LYS 40 CD 0.0012 -0.0077 -0.0114 2490 LYS 40 CE 0.0012 -0.0075 -0.0120 2491 LYS 40 NZ 0.0007 -0.0082 -0.0148 2492 THR 41 N 0.0016 -0.0088 -0.0048 2493 THR 41 CA 0.0013 -0.0103 -0.0045 2494 THR 41 C 0.0014 -0.0109 -0.0021 2495 THR 41 O 0.0010 -0.0129 -0.0013 2496 THR 41 CB 0.0015 -0.0089 -0.0048 2497 THR 41 OG1 0.0021 -0.0072 -0.0033 2498 THR 41 CG2 0.0015 -0.0081 -0.0073 2499 TYR 42 N 0.0017 -0.0104 -0.0000 2500 TYR 42 CA 0.0018 -0.0110 0.0024 2501 TYR 42 C 0.0014 -0.0129 0.0028 2502 TYR 42 O 0.0014 -0.0138 0.0048 2503 TYR 42 CB 0.0024 -0.0091 0.0041 2504 TYR 42 CG 0.0028 -0.0074 0.0038 2505 TYR 42 CD1 0.0028 -0.0079 0.0053 2506 TYR 42 CD2 0.0031 -0.0053 0.0024 2507 TYR 42 CE1 0.0031 -0.0065 0.0050 2508 TYR 42 CE2 0.0034 -0.0038 0.0024 2509 TYR 42 CZ 0.0034 -0.0044 0.0037 2510 TYR 42 OH 0.0038 -0.0028 0.0037 2511 PHE 43 N -0.0039 -0.0161 -0.0043 2512 PHE 43 CA -0.0030 -0.0161 -0.0034 2513 PHE 43 C -0.0067 -0.0185 -0.0069 2514 PHE 43 O -0.0078 -0.0161 -0.0080 2515 PHE 43 CB -0.0017 -0.0096 -0.0025 2516 PHE 43 CG 0.0017 -0.0067 0.0006 2517 PHE 43 CD1 0.0009 -0.0035 -0.0003 2518 PHE 43 CD2 0.0057 -0.0064 0.0045 2519 PHE 43 CE1 0.0044 -0.0009 0.0029 2520 PHE 43 CE2 0.0086 -0.0040 0.0072 2521 PHE 43 CZ 0.0086 -0.0009 0.0070 2522 PRO 44 N -0.0080 -0.0241 -0.0078 2523 PRO 44 CA -0.0118 -0.0261 -0.0114 2524 PRO 44 C -0.0098 -0.0288 -0.0093 2525 PRO 44 O -0.0125 -0.0292 -0.0118 2526 PRO 44 CB -0.0127 -0.0317 -0.0119 2527 PRO 44 CG -0.0089 -0.0329 -0.0082 2528 PRO 44 CD -0.0063 -0.0274 -0.0060 2529 HIS 45 N -0.0065 -0.0289 -0.0060 2530 HIS 45 CA -0.0043 -0.0305 -0.0039 2531 HIS 45 C -0.0035 -0.0253 -0.0034 2532 HIS 45 O -0.0015 -0.0272 -0.0013 2533 HIS 45 CB -0.0005 -0.0330 -0.0000 2534 HIS 45 CG 0.0034 -0.0311 0.0036 2535 HIS 45 ND1 0.0016 -0.0286 0.0018 2536 HIS 45 CD2 0.0071 -0.0291 0.0071 2537 HIS 45 CE1 0.0048 -0.0265 0.0047 2538 HIS 45 NE2 0.0086 -0.0266 0.0083 2539 PHE 46 N 0.0025 -0.0029 -0.0055 2540 PHE 46 CA 0.0028 -0.0019 -0.0055 2541 PHE 46 C 0.0018 -0.0012 -0.0052 2542 PHE 46 O 0.0008 -0.0014 -0.0048 2543 PHE 46 CB 0.0030 -0.0021 -0.0057 2544 PHE 46 CG 0.0041 -0.0022 -0.0061 2545 PHE 46 CD1 0.0047 -0.0019 -0.0063 2546 PHE 46 CD2 0.0049 -0.0028 -0.0064 2547 PHE 46 CE1 0.0058 -0.0022 -0.0067 2548 PHE 46 CE2 0.0056 -0.0028 -0.0067 2549 PHE 46 CZ 0.0064 -0.0028 -0.0070 2550 ASP 47 N 0.0019 0.0001 -0.0051 2551 ASP 47 CA 0.0010 0.0008 -0.0047 2552 ASP 47 C 0.0011 0.0010 -0.0047 2553 ASP 47 O 0.0020 0.0012 -0.0051 2554 ASP 47 CB 0.0015 0.0021 -0.0048 2555 ASP 47 CG 0.0003 0.0029 -0.0043 2556 ASP 47 OD1 0.0001 0.0027 -0.0042 2557 ASP 47 OD2 0.0006 0.0039 -0.0043 2558 LEU 48 N 0.0002 0.0004 -0.0044 2559 LEU 48 CA 0.0003 0.0003 -0.0045 2560 LEU 48 C -0.0002 0.0012 -0.0042 2561 LEU 48 O -0.0004 0.0013 -0.0041 2562 LEU 48 CB -0.0002 -0.0008 -0.0043 2563 LEU 48 CG 0.0002 -0.0019 -0.0046 2564 LEU 48 CD1 -0.0003 -0.0031 -0.0045 2565 LEU 48 CD2 0.0015 -0.0021 -0.0051 2566 SER 49 N 0.0102 -0.0023 0.0016 2567 SER 49 CA 0.0112 -0.0033 0.0068 2568 SER 49 C 0.0089 -0.0074 0.0034 2569 SER 49 O 0.0072 -0.0080 -0.0024 2570 SER 49 CB 0.0142 0.0022 0.0108 2571 SER 49 OG 0.0148 0.0065 0.0074 2572 HIS 50 N 0.0087 -0.0122 0.0085 2573 HIS 50 CA 0.0066 -0.0165 0.0062 2574 HIS 50 C 0.0070 -0.0124 0.0023 2575 HIS 50 O 0.0092 -0.0084 0.0055 2576 HIS 50 CB 0.0065 -0.0219 0.0122 2577 HIS 50 CG 0.0042 -0.0259 0.0090 2578 HIS 50 ND1 0.0049 -0.0255 0.0112 2579 HIS 50 CD2 0.0018 -0.0299 0.0049 2580 HIS 50 CE1 0.0027 -0.0292 0.0075 2581 HIS 50 NE2 0.0001 -0.0330 0.0026 2582 GLY 51 N 0.0049 -0.0140 -0.0031 2583 GLY 51 CA 0.0050 -0.0111 -0.0064 2584 GLY 51 C 0.0057 -0.0056 -0.0107 2585 GLY 51 O 0.0056 -0.0025 -0.0150 2586 SER 52 N 0.0065 0.0022 -0.0120 2587 SER 52 CA 0.0063 0.0018 -0.0115 2588 SER 52 C 0.0055 0.0017 -0.0100 2589 SER 52 O 0.0048 0.0030 -0.0090 2590 SER 52 CB 0.0066 0.0030 -0.0124 2591 SER 52 OG 0.0064 0.0026 -0.0118 2592 ALA 53 N 0.0052 0.0003 -0.0090 2593 ALA 53 CA 0.0043 0.0003 -0.0073 2594 ALA 53 C 0.0039 0.0018 -0.0069 2595 ALA 53 O 0.0031 0.0022 -0.0056 2596 ALA 53 CB 0.0043 -0.0015 -0.0067 2597 GLN 54 N 0.0046 0.0018 -0.0082 2598 GLN 54 CA 0.0043 0.0031 -0.0080 2599 GLN 54 C 0.0037 0.0053 -0.0076 2600 GLN 54 O 0.0031 0.0061 -0.0066 2601 GLN 54 CB 0.0049 0.0033 -0.0092 2602 GLN 54 CG 0.0051 0.0019 -0.0093 2603 GLN 54 CD 0.0059 0.0018 -0.0107 2604 GLN 54 OE1 0.0066 0.0020 -0.0121 2605 GLN 54 NE2 0.0057 0.0019 -0.0103 2606 VAL 55 N 0.0035 0.0097 -0.0037 2607 VAL 55 CA 0.0024 0.0093 -0.0038 2608 VAL 55 C 0.0003 0.0079 -0.0037 2609 VAL 55 O -0.0013 0.0081 -0.0041 2610 VAL 55 CB 0.0043 0.0084 -0.0030 2611 VAL 55 CG1 0.0029 0.0077 -0.0030 2612 VAL 55 CG2 0.0060 0.0100 -0.0033 2613 LYS 56 N 0.0003 0.0062 -0.0030 2614 LYS 56 CA -0.0016 0.0049 -0.0029 2615 LYS 56 C -0.0033 0.0058 -0.0036 2616 LYS 56 O -0.0054 0.0057 -0.0040 2617 LYS 56 CB -0.0011 0.0032 -0.0021 2618 LYS 56 CG 0.0005 0.0016 -0.0011 2619 LYS 56 CD -0.0015 -0.0011 -0.0005 2620 LYS 56 CE 0.0020 -0.0021 0.0006 2621 LYS 56 NZ 0.0015 -0.0035 0.0011 2622 GLY 57 N -0.0029 0.0075 -0.0042 2623 GLY 57 CA -0.0045 0.0087 -0.0050 2624 GLY 57 C -0.0057 0.0101 -0.0058 2625 GLY 57 O -0.0080 0.0104 -0.0064 2626 HIS 58 N -0.0049 0.0180 -0.0032 2627 HIS 58 CA -0.0051 0.0160 -0.0036 2628 HIS 58 C -0.0054 0.0138 -0.0043 2629 HIS 58 O -0.0053 0.0124 -0.0057 2630 HIS 58 CB -0.0055 0.0157 -0.0018 2631 HIS 58 CG -0.0056 0.0140 -0.0023 2632 HIS 58 ND1 -0.0053 0.0144 -0.0042 2633 HIS 58 CD2 -0.0061 0.0122 -0.0013 2634 HIS 58 CE1 -0.0056 0.0123 -0.0040 2635 HIS 58 NE2 -0.0061 0.0107 -0.0023 2636 GLY 59 N -0.0056 0.0136 -0.0028 2637 GLY 59 CA -0.0058 0.0118 -0.0032 2638 GLY 59 C -0.0055 0.0114 -0.0055 2639 GLY 59 O -0.0056 0.0095 -0.0067 2640 LYS 60 N -0.0050 0.0134 -0.0065 2641 LYS 60 CA -0.0046 0.0135 -0.0089 2642 LYS 60 C -0.0045 0.0128 -0.0106 2643 LYS 60 O -0.0044 0.0115 -0.0122 2644 LYS 60 CB -0.0042 0.0159 -0.0092 2645 LYS 60 CG -0.0039 0.0156 -0.0115 2646 LYS 60 CD -0.0035 0.0174 -0.0123 2647 LYS 60 CE -0.0033 0.0164 -0.0141 2648 LYS 60 NZ -0.0028 0.0176 -0.0163 2649 LYS 61 N -0.0114 0.0187 -0.0105 2650 LYS 61 CA -0.0112 0.0184 -0.0109 2651 LYS 61 C -0.0098 0.0150 -0.0103 2652 LYS 61 O -0.0093 0.0141 -0.0120 2653 LYS 61 CB -0.0120 0.0199 -0.0086 2654 LYS 61 CG -0.0131 0.0224 -0.0096 2655 LYS 61 CD -0.0140 0.0243 -0.0080 2656 LYS 61 CE -0.0154 0.0275 -0.0099 2657 LYS 61 NZ -0.0158 0.0283 -0.0059 2658 VAL 62 N -0.0094 0.0140 -0.0077 2659 VAL 62 CA -0.0081 0.0112 -0.0072 2660 VAL 62 C -0.0071 0.0091 -0.0096 2661 VAL 62 O -0.0064 0.0076 -0.0107 2662 VAL 62 CB -0.0079 0.0106 -0.0041 2663 VAL 62 CG1 -0.0067 0.0077 -0.0036 2664 VAL 62 CG2 -0.0087 0.0121 -0.0019 2665 ALA 63 N -0.0076 0.0101 -0.0106 2666 ALA 63 CA -0.0068 0.0085 -0.0130 2667 ALA 63 C -0.0066 0.0084 -0.0154 2668 ALA 63 O -0.0059 0.0067 -0.0171 2669 ALA 63 CB -0.0071 0.0092 -0.0136 2670 ASP 64 N -0.0076 0.0126 -0.0175 2671 ASP 64 CA -0.0082 0.0129 -0.0201 2672 ASP 64 C -0.0071 0.0120 -0.0188 2673 ASP 64 O -0.0063 0.0107 -0.0207 2674 ASP 64 CB -0.0111 0.0160 -0.0212 2675 ASP 64 CG -0.0129 0.0176 -0.0238 2676 ASP 64 OD1 -0.0116 0.0160 -0.0247 2677 ASP 64 OD2 -0.0147 0.0197 -0.0229 2678 ALA 65 N -0.0071 0.0125 -0.0151 2679 ALA 65 CA -0.0059 0.0114 -0.0135 2680 ALA 65 C -0.0030 0.0081 -0.0141 2681 ALA 65 O -0.0018 0.0067 -0.0152 2682 ALA 65 CB -0.0058 0.0118 -0.0096 2683 LEU 66 N -0.0017 0.0066 -0.0141 2684 LEU 66 CA 0.0010 0.0037 -0.0146 2685 LEU 66 C 0.0013 0.0028 -0.0185 2686 LEU 66 O 0.0030 0.0008 -0.0197 2687 LEU 66 CB 0.0021 0.0027 -0.0133 2688 LEU 66 CG 0.0025 0.0028 -0.0089 2689 LEU 66 CD1 0.0027 0.0027 -0.0082 2690 LEU 66 CD2 0.0044 0.0009 -0.0074 2691 THR 67 N -0.0016 0.0057 -0.0199 2692 THR 67 CA -0.0017 0.0052 -0.0222 2693 THR 67 C -0.0020 0.0055 -0.0218 2694 THR 67 O -0.0010 0.0047 -0.0228 2695 THR 67 CB -0.0035 0.0061 -0.0235 2696 THR 67 OG1 -0.0030 0.0057 -0.0239 2697 THR 67 CG2 -0.0038 0.0057 -0.0258 2698 ASN 68 N -0.0033 0.0067 -0.0204 2699 ASN 68 CA -0.0034 0.0069 -0.0200 2700 ASN 68 C -0.0016 0.0060 -0.0189 2701 ASN 68 O -0.0011 0.0055 -0.0194 2702 ASN 68 CB -0.0051 0.0082 -0.0188 2703 ASN 68 CG -0.0055 0.0087 -0.0181 2704 ASN 68 OD1 -0.0053 0.0084 -0.0190 2705 ASN 68 ND2 -0.0059 0.0095 -0.0158 2706 ALA 69 N -0.0007 0.0057 -0.0174 2707 ALA 69 CA 0.0013 0.0047 -0.0163 2708 ALA 69 C 0.0026 0.0034 -0.0182 2709 ALA 69 O 0.0037 0.0028 -0.0177 2710 ALA 69 CB 0.0020 0.0047 -0.0144 2711 VAL 70 N 0.0058 0.0025 -0.0112 2712 VAL 70 CA 0.0063 -0.0005 -0.0133 2713 VAL 70 C 0.0032 -0.0002 -0.0153 2714 VAL 70 O 0.0042 -0.0013 -0.0155 2715 VAL 70 CB 0.0070 -0.0023 -0.0143 2716 VAL 70 CG1 0.0075 -0.0049 -0.0161 2717 VAL 70 CG2 0.0098 -0.0026 -0.0126 2718 ALA 71 N 0.0014 0.0008 -0.0158 2719 ALA 71 CA -0.0017 0.0013 -0.0177 2720 ALA 71 C -0.0014 0.0021 -0.0168 2721 ALA 71 O -0.0031 0.0021 -0.0179 2722 ALA 71 CB -0.0037 0.0021 -0.0184 2723 HIS 72 N -0.0007 0.0041 -0.0146 2724 HIS 72 CA -0.0004 0.0056 -0.0131 2725 HIS 72 C 0.0014 0.0056 -0.0119 2726 HIS 72 O 0.0023 0.0076 -0.0095 2727 HIS 72 CB -0.0024 0.0092 -0.0116 2728 HIS 72 CG -0.0047 0.0095 -0.0130 2729 HIS 72 ND1 -0.0080 0.0103 -0.0147 2730 HIS 72 CD2 -0.0062 0.0090 -0.0145 2731 HIS 72 CE1 -0.0095 0.0106 -0.0155 2732 HIS 72 NE2 -0.0093 0.0100 -0.0158 2733 VAL 73 N 0.0066 0.0048 -0.0059 2734 VAL 73 CA 0.0090 0.0093 -0.0085 2735 VAL 73 C 0.0082 0.0154 -0.0057 2736 VAL 73 O 0.0106 0.0186 -0.0086 2737 VAL 73 CB 0.0115 0.0102 -0.0119 2738 VAL 73 CG1 0.0087 0.0103 -0.0078 2739 VAL 73 CG2 0.0146 0.0133 -0.0157 2740 ASP 74 N 0.0049 0.0152 -0.0010 2741 ASP 74 CA 0.0040 0.0210 0.0018 2742 ASP 74 C 0.0035 0.0218 0.0027 2743 ASP 74 O 0.0025 0.0248 0.0049 2744 ASP 74 CB 0.0011 0.0214 0.0061 2745 ASP 74 CG 0.0011 0.0219 0.0063 2746 ASP 74 OD1 0.0039 0.0251 0.0029 2747 ASP 74 OD2 -0.0001 0.0197 0.0074 2748 ASP 75 N 0.0034 0.0166 0.0017 2749 ASP 75 CA 0.0025 0.0162 0.0028 2750 ASP 75 C 0.0043 0.0114 -0.0010 2751 ASP 75 O 0.0033 0.0086 -0.0002 2752 ASP 75 CB -0.0013 0.0133 0.0077 2753 ASP 75 CG -0.0036 0.0133 0.0111 2754 ASP 75 OD1 -0.0028 0.0176 0.0109 2755 ASP 75 OD2 -0.0047 0.0077 0.0114 2756 MET 76 N 0.0042 0.0075 -0.0051 2757 MET 76 CA 0.0024 0.0046 -0.0080 2758 MET 76 C 0.0003 0.0045 -0.0048 2759 MET 76 O -0.0034 0.0009 -0.0059 2760 MET 76 CB 0.0076 0.0061 -0.0136 2761 MET 76 CG 0.0082 0.0042 -0.0184 2762 MET 76 SD 0.0136 0.0052 -0.0252 2763 MET 76 CE 0.0187 0.0107 -0.0225 2764 PRO 77 N 0.0024 0.0084 -0.0005 2765 PRO 77 CA -0.0010 0.0076 0.0034 2766 PRO 77 C -0.0062 0.0047 0.0061 2767 PRO 77 O -0.0094 0.0020 0.0060 2768 PRO 77 CB 0.0027 0.0129 0.0079 2769 PRO 77 CG 0.0076 0.0162 0.0063 2770 PRO 77 CD 0.0060 0.0129 0.0024 2771 ASN 78 N -0.0088 0.0038 0.0086 2772 ASN 78 CA -0.0143 -0.0001 0.0098 2773 ASN 78 C -0.0171 -0.0039 0.0069 2774 ASN 78 O -0.0210 -0.0075 0.0061 2775 ASN 78 CB -0.0157 0.0019 0.0160 2776 ASN 78 CG -0.0226 -0.0020 0.0196 2777 ASN 78 OD1 -0.0245 -0.0027 0.0214 2778 ASN 78 ND2 -0.0252 -0.0053 0.0173 2779 ALA 79 N -0.0098 -0.0038 -0.0024 2780 ALA 79 CA -0.0110 -0.0062 -0.0048 2781 ALA 79 C -0.0113 -0.0078 -0.0074 2782 ALA 79 O -0.0130 -0.0103 -0.0085 2783 ALA 79 CB -0.0095 -0.0059 -0.0078 2784 LEU 80 N -0.0094 -0.0059 -0.0082 2785 LEU 80 CA -0.0094 -0.0070 -0.0106 2786 LEU 80 C -0.0100 -0.0067 -0.0085 2787 LEU 80 O -0.0099 -0.0074 -0.0101 2788 LEU 80 CB -0.0069 -0.0052 -0.0128 2789 LEU 80 CG -0.0056 -0.0048 -0.0153 2790 LEU 80 CD1 -0.0032 -0.0031 -0.0177 2791 LEU 80 CD2 -0.0073 -0.0076 -0.0171 2792 SER 81 N -0.0113 -0.0067 -0.0049 2793 SER 81 CA -0.0119 -0.0064 -0.0028 2794 SER 81 C -0.0136 -0.0089 -0.0042 2795 SER 81 O -0.0131 -0.0085 -0.0044 2796 SER 81 CB -0.0135 -0.0066 0.0008 2797 SER 81 OG -0.0132 -0.0054 0.0028 2798 ALA 82 N -0.0116 -0.0063 -0.0080 2799 ALA 82 CA -0.0109 -0.0050 -0.0074 2800 ALA 82 C -0.0098 -0.0052 -0.0061 2801 ALA 82 O -0.0090 -0.0043 -0.0053 2802 ALA 82 CB -0.0113 -0.0047 -0.0079 2803 LEU 83 N -0.0096 -0.0070 -0.0055 2804 LEU 83 CA -0.0085 -0.0071 -0.0042 2805 LEU 83 C -0.0081 -0.0073 -0.0037 2806 LEU 83 O -0.0070 -0.0067 -0.0026 2807 LEU 83 CB -0.0086 -0.0090 -0.0040 2808 LEU 83 CG -0.0085 -0.0090 -0.0039 2809 LEU 83 CD1 -0.0083 -0.0109 -0.0035 2810 LEU 83 CD2 -0.0076 -0.0079 -0.0031 2811 SER 84 N -0.0087 -0.0076 -0.0044 2812 SER 84 CA -0.0083 -0.0074 -0.0040 2813 SER 84 C -0.0080 -0.0057 -0.0038 2814 SER 84 O -0.0072 -0.0051 -0.0031 2815 SER 84 CB -0.0090 -0.0078 -0.0047 2816 SER 84 OG -0.0094 -0.0089 -0.0050 2817 ASP 85 N -0.0043 -0.0031 -0.0091 2818 ASP 85 CA -0.0011 0.0003 -0.0110 2819 ASP 85 C 0.0019 0.0024 -0.0074 2820 ASP 85 O 0.0032 0.0037 -0.0075 2821 ASP 85 CB 0.0003 0.0023 -0.0146 2822 ASP 85 CG -0.0024 0.0009 -0.0195 2823 ASP 85 OD1 -0.0048 -0.0011 -0.0212 2824 ASP 85 OD2 -0.0010 0.0026 -0.0219 2825 LEU 86 N 0.0029 0.0025 -0.0032 2826 LEU 86 CA 0.0059 0.0046 0.0003 2827 LEU 86 C 0.0058 0.0039 0.0036 2828 LEU 86 O 0.0076 0.0054 0.0047 2829 LEU 86 CB 0.0070 0.0049 0.0039 2830 LEU 86 CG 0.0107 0.0077 0.0077 2831 LEU 86 CD1 0.0143 0.0115 0.0050 2832 LEU 86 CD2 0.0111 0.0073 0.0112 2833 HIS 87 N 0.0021 0.0001 0.0050 2834 HIS 87 CA 0.0014 -0.0012 0.0088 2835 HIS 87 C 0.0003 -0.0015 0.0054 2836 HIS 87 O 0.0018 -0.0006 0.0077 2837 HIS 87 CB -0.0023 -0.0053 0.0117 2838 HIS 87 CG -0.0014 -0.0052 0.0156 2839 HIS 87 ND1 -0.0009 -0.0045 0.0146 2840 HIS 87 CD2 -0.0002 -0.0051 0.0212 2841 HIS 87 CE1 0.0002 -0.0044 0.0193 2842 HIS 87 NE2 0.0003 -0.0049 0.0226 2843 ALA 88 N -0.0026 -0.0007 0.0037 2844 ALA 88 CA -0.0044 -0.0033 -0.0012 2845 ALA 88 C 0.0004 -0.0002 -0.0032 2846 ALA 88 O -0.0015 -0.0020 -0.0048 2847 ALA 88 CB -0.0066 -0.0066 -0.0077 2848 HIS 89 N 0.0057 0.0031 -0.0060 2849 HIS 89 CA 0.0112 0.0064 -0.0094 2850 HIS 89 C 0.0151 0.0105 -0.0047 2851 HIS 89 O 0.0177 0.0119 -0.0070 2852 HIS 89 CB 0.0137 0.0065 -0.0167 2853 HIS 89 CG 0.0085 0.0015 -0.0214 2854 HIS 89 ND1 0.0049 -0.0019 -0.0239 2855 HIS 89 CD2 0.0080 0.0006 -0.0234 2856 HIS 89 CE1 0.0020 -0.0047 -0.0263 2857 HIS 89 NE2 0.0029 -0.0043 -0.0276 2858 LYS 90 N 0.0155 0.0123 0.0013 2859 LYS 90 CA 0.0198 0.0165 0.0053 2860 LYS 90 C 0.0171 0.0163 0.0130 2861 LYS 90 O 0.0175 0.0171 0.0148 2862 LYS 90 CB 0.0250 0.0204 0.0055 2863 LYS 90 CG 0.0280 0.0242 0.0115 2864 LYS 90 CD 0.0333 0.0280 0.0110 2865 LYS 90 CE 0.0387 0.0331 0.0154 2866 LYS 90 NZ 0.0453 0.0363 0.0080 2867 LEU 91 N 0.0070 0.0034 0.0125 2868 LEU 91 CA 0.0060 0.0035 0.0146 2869 LEU 91 C 0.0043 0.0024 0.0142 2870 LEU 91 O 0.0040 0.0025 0.0153 2871 LEU 91 CB 0.0055 0.0035 0.0158 2872 LEU 91 CG 0.0071 0.0045 0.0159 2873 LEU 91 CD1 0.0062 0.0045 0.0173 2874 LEU 91 CD2 0.0084 0.0057 0.0173 2875 ARG 92 N 0.0029 0.0012 0.0129 2876 ARG 92 CA 0.0015 0.0001 0.0122 2877 ARG 92 C -0.0001 -0.0001 0.0142 2878 ARG 92 O -0.0006 -0.0004 0.0145 2879 ARG 92 CB 0.0025 0.0003 0.0108 2880 ARG 92 CG 0.0030 -0.0001 0.0084 2881 ARG 92 CD 0.0044 0.0002 0.0070 2882 ARG 92 NE 0.0041 -0.0004 0.0054 2883 ARG 92 CZ 0.0078 0.0014 0.0046 2884 ARG 92 NH1 0.0087 0.0027 0.0072 2885 ARG 92 NH2 0.0068 0.0006 0.0039 2886 VAL 93 N -0.0007 0.0000 0.0157 2887 VAL 93 CA -0.0022 -0.0002 0.0177 2888 VAL 93 C -0.0042 -0.0017 0.0170 2889 VAL 93 O -0.0050 -0.0024 0.0159 2890 VAL 93 CB -0.0021 0.0002 0.0192 2891 VAL 93 CG1 -0.0038 -0.0001 0.0211 2892 VAL 93 CG2 -0.0001 0.0016 0.0197 2893 ASP 94 N -0.0029 -0.0092 0.0113 2894 ASP 94 CA -0.0036 -0.0081 0.0108 2895 ASP 94 C -0.0046 -0.0078 0.0118 2896 ASP 94 O -0.0045 -0.0084 0.0125 2897 ASP 94 CB -0.0030 -0.0077 0.0096 2898 ASP 94 CG -0.0036 -0.0064 0.0088 2899 ASP 94 OD1 -0.0034 -0.0059 0.0080 2900 ASP 94 OD2 -0.0044 -0.0060 0.0093 2901 PRO 95 N -0.0056 -0.0067 0.0117 2902 PRO 95 CA -0.0067 -0.0064 0.0128 2903 PRO 95 C -0.0067 -0.0063 0.0127 2904 PRO 95 O -0.0073 -0.0066 0.0139 2905 PRO 95 CB -0.0075 -0.0052 0.0124 2906 PRO 95 CG -0.0070 -0.0052 0.0118 2907 PRO 95 CD -0.0058 -0.0059 0.0110 2908 VAL 96 N -0.0061 -0.0062 0.0118 2909 VAL 96 CA -0.0061 -0.0062 0.0118 2910 VAL 96 C -0.0057 -0.0074 0.0128 2911 VAL 96 O -0.0061 -0.0075 0.0134 2912 VAL 96 CB -0.0053 -0.0060 0.0105 2913 VAL 96 CG1 -0.0057 -0.0049 0.0097 2914 VAL 96 CG2 -0.0041 -0.0068 0.0100 2915 ASN 97 N -0.0026 -0.0012 0.0097 2916 ASN 97 CA -0.0027 -0.0029 0.0095 2917 ASN 97 C -0.0035 -0.0031 0.0106 2918 ASN 97 O -0.0034 -0.0044 0.0103 2919 ASN 97 CB -0.0029 -0.0043 0.0095 2920 ASN 97 CG -0.0020 -0.0044 0.0080 2921 ASN 97 OD1 -0.0010 -0.0048 0.0066 2922 ASN 97 ND2 -0.0021 -0.0038 0.0084 2923 PHE 98 N -0.0042 -0.0022 0.0119 2924 PHE 98 CA -0.0051 -0.0023 0.0132 2925 PHE 98 C -0.0046 -0.0017 0.0126 2926 PHE 98 O -0.0050 -0.0026 0.0129 2927 PHE 98 CB -0.0060 -0.0013 0.0148 2928 PHE 98 CG -0.0066 -0.0023 0.0155 2929 PHE 98 CD1 -0.0075 -0.0036 0.0166 2930 PHE 98 CD2 -0.0062 -0.0021 0.0150 2931 PHE 98 CE1 -0.0082 -0.0046 0.0173 2932 PHE 98 CE2 -0.0070 -0.0033 0.0158 2933 PHE 98 CZ -0.0079 -0.0044 0.0170 2934 LYS 99 N -0.0038 -0.0003 0.0117 2935 LYS 99 CA -0.0032 0.0003 0.0110 2936 LYS 99 C -0.0028 -0.0011 0.0101 2937 LYS 99 O -0.0026 -0.0012 0.0098 2938 LYS 99 CB -0.0025 0.0024 0.0103 2939 LYS 99 CG -0.0019 0.0026 0.0096 2940 LYS 99 CD -0.0011 0.0049 0.0088 2941 LYS 99 CE 0.0004 0.0035 0.0063 2942 LYS 99 NZ 0.0014 0.0045 0.0050 2943 LEU 100 N -0.0031 0.0027 0.0061 2944 LEU 100 CA -0.0035 0.0024 0.0049 2945 LEU 100 C -0.0036 0.0021 0.0050 2946 LEU 100 O -0.0036 0.0024 0.0042 2947 LEU 100 CB -0.0040 0.0017 0.0045 2948 LEU 100 CG -0.0039 0.0019 0.0045 2949 LEU 100 CD1 -0.0045 0.0011 0.0040 2950 LEU 100 CD2 -0.0034 0.0028 0.0039 2951 LEU 101 N -0.0039 0.0015 0.0059 2952 LEU 101 CA -0.0041 0.0012 0.0058 2953 LEU 101 C -0.0034 0.0021 0.0061 2954 LEU 101 O -0.0035 0.0022 0.0056 2955 LEU 101 CB -0.0045 0.0004 0.0069 2956 LEU 101 CG -0.0046 0.0001 0.0071 2957 LEU 101 CD1 -0.0050 -0.0001 0.0059 2958 LEU 101 CD2 -0.0051 -0.0007 0.0079 2959 SER 102 N -0.0029 0.0027 0.0068 2960 SER 102 CA -0.0023 0.0035 0.0071 2961 SER 102 C -0.0021 0.0041 0.0060 2962 SER 102 O -0.0018 0.0045 0.0059 2963 SER 102 CB -0.0018 0.0040 0.0079 2964 SER 102 OG -0.0019 0.0035 0.0090 2965 HIS 103 N -0.0030 0.0006 0.0042 2966 HIS 103 CA -0.0032 0.0008 0.0042 2967 HIS 103 C -0.0031 0.0007 0.0044 2968 HIS 103 O -0.0032 0.0009 0.0047 2969 HIS 103 CB -0.0034 0.0008 0.0039 2970 HIS 103 CG -0.0036 0.0009 0.0039 2971 HIS 103 ND1 -0.0035 0.0008 0.0038 2972 HIS 103 CD2 -0.0038 0.0012 0.0040 2973 HIS 103 CE1 -0.0038 0.0010 0.0038 2974 HIS 103 NE2 -0.0039 0.0013 0.0040 2975 CYS 104 N -0.0028 0.0005 0.0044 2976 CYS 104 CA -0.0026 0.0004 0.0046 2977 CYS 104 C -0.0025 0.0005 0.0050 2978 CYS 104 O -0.0025 0.0006 0.0052 2979 CYS 104 CB -0.0024 0.0002 0.0044 2980 CYS 104 SG -0.0026 0.0002 0.0040 2981 LEU 105 N -0.0024 0.0005 0.0050 2982 LEU 105 CA -0.0024 0.0005 0.0053 2983 LEU 105 C -0.0026 0.0008 0.0055 2984 LEU 105 O -0.0026 0.0009 0.0058 2985 LEU 105 CB -0.0022 0.0004 0.0053 2986 LEU 105 CG -0.0020 0.0004 0.0056 2987 LEU 105 CD1 -0.0017 0.0001 0.0056 2988 LEU 105 CD2 -0.0020 0.0002 0.0053 2989 LEU 106 N -0.0019 -0.0010 0.0089 2990 LEU 106 CA -0.0011 -0.0005 0.0083 2991 LEU 106 C -0.0013 -0.0004 0.0074 2992 LEU 106 O -0.0009 -0.0000 0.0068 2993 LEU 106 CB -0.0002 -0.0004 0.0089 2994 LEU 106 CG 0.0003 -0.0004 0.0097 2995 LEU 106 CD1 0.0009 -0.0004 0.0100 2996 LEU 106 CD2 0.0008 -0.0003 0.0096 2997 VAL 107 N -0.0018 -0.0005 0.0072 2998 VAL 107 CA -0.0022 -0.0003 0.0063 2999 VAL 107 C -0.0026 -0.0003 0.0057 3000 VAL 107 O -0.0024 -0.0000 0.0048 3001 VAL 107 CB -0.0028 -0.0005 0.0063 3002 VAL 107 CG1 -0.0031 -0.0004 0.0054 3003 VAL 107 CG2 -0.0022 -0.0005 0.0068 3004 THR 108 N -0.0032 -0.0006 0.0061 3005 THR 108 CA -0.0037 -0.0006 0.0055 3006 THR 108 C -0.0030 -0.0003 0.0053 3007 THR 108 O -0.0031 -0.0001 0.0045 3008 THR 108 CB -0.0044 -0.0011 0.0062 3009 THR 108 OG1 -0.0050 -0.0013 0.0065 3010 THR 108 CG2 -0.0050 -0.0011 0.0057 3011 LEU 109 N -0.0023 -0.0025 0.0092 3012 LEU 109 CA -0.0018 -0.0024 0.0090 3013 LEU 109 C -0.0015 -0.0022 0.0083 3014 LEU 109 O -0.0013 -0.0022 0.0079 3015 LEU 109 CB -0.0016 -0.0023 0.0097 3016 LEU 109 CG -0.0020 -0.0024 0.0102 3017 LEU 109 CD1 -0.0016 -0.0024 0.0109 3018 LEU 109 CD2 -0.0025 -0.0026 0.0099 3019 ALA 110 N -0.0010 -0.0021 0.0085 3020 ALA 110 CA -0.0004 -0.0020 0.0080 3021 ALA 110 C -0.0008 -0.0020 0.0073 3022 ALA 110 O -0.0005 -0.0019 0.0066 3023 ALA 110 CB -0.0001 -0.0019 0.0082 3024 ALA 111 N -0.0014 -0.0022 0.0072 3025 ALA 111 CA -0.0018 -0.0023 0.0065 3026 ALA 111 C -0.0020 -0.0023 0.0061 3027 ALA 111 O -0.0023 -0.0024 0.0055 3028 ALA 111 CB -0.0024 -0.0025 0.0067 3029 HIS 112 N -0.0047 -0.0014 0.0102 3030 HIS 112 CA -0.0049 -0.0004 0.0082 3031 HIS 112 C -0.0026 -0.0010 0.0070 3032 HIS 112 O -0.0026 -0.0001 0.0049 3033 HIS 112 CB -0.0063 -0.0000 0.0088 3034 HIS 112 CG -0.0083 0.0008 0.0091 3035 HIS 112 ND1 -0.0100 0.0004 0.0119 3036 HIS 112 CD2 -0.0103 0.0021 0.0081 3037 HIS 112 CE1 -0.0120 0.0014 0.0116 3038 HIS 112 NE2 -0.0123 0.0026 0.0094 3039 LEU 113 N -0.0008 -0.0020 0.0075 3040 LEU 113 CA 0.0015 -0.0028 0.0066 3041 LEU 113 C 0.0031 -0.0035 0.0065 3042 LEU 113 O 0.0047 -0.0045 0.0071 3043 LEU 113 CB 0.0021 -0.0036 0.0078 3044 LEU 113 CG 0.0011 -0.0030 0.0075 3045 LEU 113 CD1 0.0027 -0.0045 0.0093 3046 LEU 113 CD2 0.0004 -0.0019 0.0059 3047 PRO 114 N 0.0030 -0.0029 0.0052 3048 PRO 114 CA 0.0041 -0.0033 0.0049 3049 PRO 114 C 0.0070 -0.0042 0.0038 3050 PRO 114 O 0.0083 -0.0055 0.0055 3051 PRO 114 CB 0.0024 -0.0022 0.0042 3052 PRO 114 CG 0.0023 -0.0012 0.0020 3053 PRO 114 CD 0.0011 -0.0013 0.0037 3054 ALA 115 N 0.0080 -0.0064 -0.0002 3055 ALA 115 CA 0.0085 -0.0056 0.0005 3056 ALA 115 C 0.0085 -0.0047 0.0023 3057 ALA 115 O 0.0096 -0.0034 0.0031 3058 ALA 115 CB 0.0079 -0.0064 -0.0000 3059 GLU 116 N 0.0073 -0.0047 0.0038 3060 GLU 116 CA 0.0069 -0.0038 0.0061 3061 GLU 116 C 0.0078 -0.0026 0.0069 3062 GLU 116 O 0.0083 -0.0014 0.0084 3063 GLU 116 CB 0.0048 -0.0047 0.0070 3064 GLU 116 CG 0.0032 -0.0072 0.0046 3065 GLU 116 CD 0.0030 -0.0069 0.0054 3066 GLU 116 OE1 0.0036 -0.0060 0.0062 3067 GLU 116 OE2 0.0026 -0.0083 0.0035 3068 PHE 117 N 0.0083 -0.0028 0.0059 3069 PHE 117 CA 0.0095 -0.0016 0.0065 3070 PHE 117 C 0.0115 -0.0003 0.0062 3071 PHE 117 O 0.0125 -0.0002 0.0051 3072 PHE 117 CB 0.0090 -0.0024 0.0057 3073 PHE 117 CG 0.0092 -0.0018 0.0066 3074 PHE 117 CD1 0.0080 -0.0015 0.0086 3075 PHE 117 CD2 0.0107 -0.0011 0.0059 3076 PHE 117 CE1 0.0083 -0.0007 0.0097 3077 PHE 117 CE2 0.0112 -0.0001 0.0070 3078 PHE 117 CZ 0.0098 -0.0001 0.0088 3079 THR 118 N 0.0170 0.0035 0.0085 3080 THR 118 CA 0.0149 0.0046 0.0082 3081 THR 118 C 0.0138 0.0032 0.0061 3082 THR 118 O 0.0151 0.0014 0.0052 3083 THR 118 CB 0.0158 0.0053 0.0094 3084 THR 118 OG1 0.0167 0.0067 0.0114 3085 THR 118 CG2 0.0169 0.0043 0.0092 3086 PRO 119 N 0.0122 0.0038 0.0056 3087 PRO 119 CA 0.0111 0.0026 0.0037 3088 PRO 119 C 0.0128 0.0013 0.0035 3089 PRO 119 O 0.0130 -0.0004 0.0020 3090 PRO 119 CB 0.0089 0.0038 0.0034 3091 PRO 119 CG 0.0080 0.0057 0.0048 3092 PRO 119 CD 0.0103 0.0060 0.0065 3093 ALA 120 N 0.0135 0.0021 0.0048 3094 ALA 120 CA 0.0148 0.0010 0.0046 3095 ALA 120 C 0.0171 -0.0005 0.0046 3096 ALA 120 O 0.0179 -0.0022 0.0035 3097 ALA 120 CB 0.0155 0.0022 0.0062 3098 VAL 121 N 0.0149 -0.0024 0.0065 3099 VAL 121 CA 0.0151 -0.0030 0.0066 3100 VAL 121 C 0.0148 -0.0036 0.0062 3101 VAL 121 O 0.0150 -0.0041 0.0062 3102 VAL 121 CB 0.0153 -0.0028 0.0068 3103 VAL 121 CG1 0.0154 -0.0034 0.0068 3104 VAL 121 CG2 0.0157 -0.0024 0.0073 3105 HIS 122 N 0.0143 -0.0034 0.0057 3106 HIS 122 CA 0.0139 -0.0038 0.0053 3107 HIS 122 C 0.0140 -0.0042 0.0053 3108 HIS 122 O 0.0141 -0.0049 0.0052 3109 HIS 122 CB 0.0135 -0.0035 0.0049 3110 HIS 122 CG 0.0130 -0.0037 0.0044 3111 HIS 122 ND1 0.0125 -0.0034 0.0040 3112 HIS 122 CD2 0.0130 -0.0044 0.0043 3113 HIS 122 CE1 0.0123 -0.0039 0.0036 3114 HIS 122 NE2 0.0125 -0.0045 0.0037 3115 ALA 123 N 0.0141 -0.0039 0.0054 3116 ALA 123 CA 0.0141 -0.0043 0.0053 3117 ALA 123 C 0.0146 -0.0047 0.0057 3118 ALA 123 O 0.0146 -0.0053 0.0056 3119 ALA 123 CB 0.0141 -0.0037 0.0054 3120 SER 124 N 0.0149 -0.0031 0.0034 3121 SER 124 CA 0.0154 -0.0035 0.0036 3122 SER 124 C 0.0155 -0.0040 0.0035 3123 SER 124 O 0.0158 -0.0045 0.0035 3124 SER 124 CB 0.0158 -0.0031 0.0042 3125 SER 124 OG 0.0157 -0.0026 0.0044 3126 LEU 125 N 0.0154 -0.0039 0.0034 3127 LEU 125 CA 0.0155 -0.0043 0.0033 3128 LEU 125 C 0.0152 -0.0048 0.0028 3129 LEU 125 O 0.0155 -0.0054 0.0027 3130 LEU 125 CB 0.0154 -0.0041 0.0033 3131 LEU 125 CG 0.0158 -0.0038 0.0038 3132 LEU 125 CD1 0.0155 -0.0034 0.0037 3133 LEU 125 CD2 0.0163 -0.0043 0.0040 3134 ASP 126 N 0.0148 -0.0047 0.0025 3135 ASP 126 CA 0.0145 -0.0051 0.0020 3136 ASP 126 C 0.0147 -0.0054 0.0021 3137 ASP 126 O 0.0148 -0.0060 0.0019 3138 ASP 126 CB 0.0139 -0.0047 0.0017 3139 ASP 126 CG 0.0135 -0.0051 0.0012 3140 ASP 126 OD1 0.0137 -0.0055 0.0011 3141 ASP 126 OD2 0.0134 -0.0052 0.0010 3142 LYS 127 N 0.0125 0.0007 -0.0055 3143 LYS 127 CA 0.0127 0.0003 -0.0056 3144 LYS 127 C 0.0133 0.0000 -0.0054 3145 LYS 127 O 0.0134 -0.0006 -0.0056 3146 LYS 127 CB 0.0128 0.0007 -0.0053 3147 LYS 127 CG 0.0123 0.0009 -0.0055 3148 LYS 127 CD 0.0124 0.0013 -0.0052 3149 LYS 127 CE 0.0128 0.0009 -0.0052 3150 LYS 127 NZ 0.0129 0.0012 -0.0049 3151 PHE 128 N 0.0135 0.0003 -0.0051 3152 PHE 128 CA 0.0140 -0.0000 -0.0049 3153 PHE 128 C 0.0140 -0.0005 -0.0052 3154 PHE 128 O 0.0144 -0.0010 -0.0053 3155 PHE 128 CB 0.0144 0.0003 -0.0045 3156 PHE 128 CG 0.0149 -0.0000 -0.0043 3157 PHE 128 CD1 0.0154 -0.0003 -0.0042 3158 PHE 128 CD2 0.0148 0.0001 -0.0043 3159 PHE 128 CE1 0.0158 -0.0005 -0.0040 3160 PHE 128 CE2 0.0153 -0.0003 -0.0042 3161 PHE 128 CZ 0.0157 -0.0005 -0.0040 3162 LEU 129 N 0.0136 -0.0004 -0.0054 3163 LEU 129 CA 0.0136 -0.0008 -0.0056 3164 LEU 129 C 0.0134 -0.0013 -0.0060 3165 LEU 129 O 0.0136 -0.0018 -0.0062 3166 LEU 129 CB 0.0132 -0.0007 -0.0058 3167 LEU 129 CG 0.0134 -0.0003 -0.0054 3168 LEU 129 CD1 0.0130 0.0000 -0.0055 3169 LEU 129 CD2 0.0139 -0.0006 -0.0053 3170 ALA 130 N 0.0130 -0.0037 -0.0091 3171 ALA 130 CA 0.0135 -0.0055 -0.0066 3172 ALA 130 C 0.0140 -0.0058 -0.0067 3173 ALA 130 O 0.0131 -0.0064 -0.0044 3174 ALA 130 CB 0.0155 -0.0076 -0.0057 3175 SER 131 N 0.0157 -0.0059 -0.0090 3176 SER 131 CA 0.0165 -0.0064 -0.0091 3177 SER 131 C 0.0139 -0.0040 -0.0098 3178 SER 131 O 0.0137 -0.0048 -0.0081 3179 SER 131 CB 0.0188 -0.0062 -0.0125 3180 SER 131 OG 0.0210 -0.0083 -0.0119 3181 VAL 132 N 0.0125 -0.0021 -0.0111 3182 VAL 132 CA 0.0102 -0.0002 -0.0111 3183 VAL 132 C 0.0083 -0.0006 -0.0080 3184 VAL 132 O 0.0071 -0.0003 -0.0069 3185 VAL 132 CB 0.0089 0.0018 -0.0129 3186 VAL 132 CG1 0.0061 0.0037 -0.0124 3187 VAL 132 CG2 0.0105 0.0026 -0.0165 3188 SER 133 N 0.0011 -0.0063 -0.0047 3189 SER 133 CA -0.0006 -0.0066 0.0004 3190 SER 133 C 0.0006 -0.0088 0.0024 3191 SER 133 O -0.0022 -0.0071 0.0056 3192 SER 133 CB -0.0003 -0.0084 0.0038 3193 SER 133 OG -0.0022 -0.0053 0.0020 3194 THR 134 N 0.0035 -0.0120 0.0017 3195 THR 134 CA 0.0049 -0.0144 0.0034 3196 THR 134 C 0.0039 -0.0123 0.0014 3197 THR 134 O 0.0024 -0.0120 0.0046 3198 THR 134 CB 0.0090 -0.0185 0.0015 3199 THR 134 OG1 0.0098 -0.0206 0.0042 3200 THR 134 CG2 0.0107 -0.0210 0.0028 3201 VAL 135 N 0.0039 -0.0105 -0.0030 3202 VAL 135 CA 0.0029 -0.0083 -0.0051 3203 VAL 135 C -0.0011 -0.0050 -0.0017 3204 VAL 135 O -0.0021 -0.0042 -0.0010 3205 VAL 135 CB 0.0036 -0.0065 -0.0108 3206 VAL 135 CG1 0.0019 -0.0036 -0.0129 3207 VAL 135 CG2 0.0073 -0.0099 -0.0131 3208 LEU 136 N -0.0073 -0.0119 -0.0005 3209 LEU 136 CA -0.0072 -0.0092 0.0005 3210 LEU 136 C -0.0075 -0.0095 0.0019 3211 LEU 136 O -0.0074 -0.0073 0.0025 3212 LEU 136 CB -0.0074 -0.0083 0.0023 3213 LEU 136 CG -0.0071 -0.0075 0.0008 3214 LEU 136 CD1 -0.0073 -0.0059 0.0030 3215 LEU 136 CD2 -0.0067 -0.0054 -0.0012 3216 THR 137 N -0.0078 -0.0121 0.0027 3217 THR 137 CA -0.0081 -0.0123 0.0045 3218 THR 137 C -0.0079 -0.0137 0.0024 3219 THR 137 O -0.0081 -0.0140 0.0035 3220 THR 137 CB -0.0086 -0.0142 0.0070 3221 THR 137 OG1 -0.0087 -0.0165 0.0062 3222 THR 137 CG2 -0.0087 -0.0123 0.0090 3223 SER 138 N -0.0076 -0.0143 -0.0000 3224 SER 138 CA -0.0074 -0.0157 -0.0018 3225 SER 138 C -0.0072 -0.0142 -0.0023 3226 SER 138 O -0.0072 -0.0158 -0.0034 3227 SER 138 CB -0.0068 -0.0146 -0.0055 3228 SER 138 OG -0.0071 -0.0170 -0.0046 3229 LYS 139 N -0.0126 -0.0121 -0.0063 3230 LYS 139 CA -0.0113 -0.0103 -0.0089 3231 LYS 139 C -0.0099 -0.0092 -0.0076 3232 LYS 139 O -0.0083 -0.0073 -0.0089 3233 LYS 139 CB -0.0099 -0.0088 -0.0091 3234 LYS 139 CG -0.0116 -0.0100 -0.0113 3235 LYS 139 CD -0.0103 -0.0087 -0.0114 3236 LYS 139 CE -0.0121 -0.0098 -0.0144 3237 LYS 139 NZ -0.0099 -0.0081 -0.0122 3238 TYR 140 N -0.0103 -0.0102 -0.0051 3239 TYR 140 CA -0.0089 -0.0090 -0.0039 3240 TYR 140 C -0.0090 -0.0086 -0.0059 3241 TYR 140 O -0.0071 -0.0069 -0.0054 3242 TYR 140 CB -0.0097 -0.0105 -0.0007 3243 TYR 140 CG -0.0084 -0.0099 0.0022 3244 TYR 140 CD1 -0.0076 -0.0097 0.0046 3245 TYR 140 CD2 -0.0082 -0.0098 0.0024 3246 TYR 140 CE1 -0.0065 -0.0092 0.0071 3247 TYR 140 CE2 -0.0070 -0.0092 0.0050 3248 TYR 140 CZ -0.0063 -0.0091 0.0074 3249 TYR 140 OH -0.0051 -0.0084 0.0100 3250 ARG 141 N -0.0109 -0.0102 -0.0077 3251 ARG 141 CA -0.0111 -0.0099 -0.0096 3252 ARG 141 C -0.0127 -0.0108 -0.0130 3253 ARG 141 O -0.0139 -0.0121 -0.0125 3254 ARG 141 CB -0.0113 -0.0105 -0.0080 3255 ARG 141 CG -0.0136 -0.0130 -0.0069 3256 ARG 141 CD -0.0134 -0.0131 -0.0054 3257 ARG 141 NE -0.0155 -0.0156 -0.0040 3258 ARG 141 CZ -0.0165 -0.0167 -0.0035 3259 ARG 141 NH1 -0.0155 -0.0157 -0.0032 3260 ARG 141 NH2 -0.0184 -0.0189 -0.0021 3261 ARG 141 OXT -0.0128 -0.0104 -0.0147 3262 VAL 1 N 0.0103 -0.0040 0.0072 3263 VAL 1 CA 0.0094 -0.0091 0.0117 3264 VAL 1 C 0.0046 -0.0127 0.0069 3265 VAL 1 O 0.0049 -0.0088 0.0029 3266 VAL 1 CB 0.0119 -0.0080 0.0151 3267 VAL 1 CG1 0.0159 -0.0061 0.0204 3268 VAL 1 CG2 0.0130 -0.0045 0.0130 3269 HIS 2 N 0.0049 -0.0154 0.0108 3270 HIS 2 CA 0.0020 -0.0187 0.0093 3271 HIS 2 C 0.0020 -0.0184 0.0090 3272 HIS 2 O 0.0022 -0.0224 0.0142 3273 HIS 2 CB -0.0027 -0.0246 0.0075 3274 HIS 2 CG -0.0051 -0.0259 0.0046 3275 HIS 2 ND1 -0.0055 -0.0319 0.0110 3276 HIS 2 CD2 -0.0087 -0.0267 -0.0012 3277 HIS 2 CE1 -0.0086 -0.0340 0.0076 3278 HIS 2 NE2 -0.0093 -0.0298 0.0013 3279 LEU 3 N 0.0008 -0.0162 0.0041 3280 LEU 3 CA 0.0022 -0.0152 0.0055 3281 LEU 3 C -0.0020 -0.0204 0.0037 3282 LEU 3 O -0.0039 -0.0176 -0.0031 3283 LEU 3 CB 0.0042 -0.0105 0.0037 3284 LEU 3 CG 0.0083 -0.0081 0.0084 3285 LEU 3 CD1 0.0107 -0.0034 0.0074 3286 LEU 3 CD2 0.0098 -0.0096 0.0131 3287 THR 4 N 0.0001 -0.0234 0.0025 3288 THR 4 CA -0.0012 -0.0201 0.0028 3289 THR 4 C -0.0042 -0.0115 0.0036 3290 THR 4 O -0.0010 -0.0097 0.0042 3291 THR 4 CB 0.0059 -0.0207 0.0035 3292 THR 4 OG1 0.0108 -0.0155 0.0047 3293 THR 4 CG2 0.0075 -0.0272 0.0028 3294 PRO 5 N -0.0078 -0.0087 0.0036 3295 PRO 5 CA -0.0088 0.0002 0.0047 3296 PRO 5 C -0.0025 0.0054 0.0060 3297 PRO 5 O -0.0008 0.0106 0.0069 3298 PRO 5 CB -0.0129 0.0031 0.0046 3299 PRO 5 CG -0.0151 -0.0018 0.0037 3300 PRO 5 CD -0.0136 -0.0104 0.0028 3301 GLU 6 N 0.0035 0.0028 0.0063 3302 GLU 6 CA 0.0089 0.0074 0.0075 3303 GLU 6 C 0.0163 0.0043 0.0078 3304 GLU 6 O 0.0181 0.0094 0.0087 3305 GLU 6 CB 0.0165 0.0052 0.0080 3306 GLU 6 CG 0.0157 0.0010 0.0074 3307 GLU 6 CD 0.0080 -0.0004 0.0064 3308 GLU 6 OE1 0.0035 -0.0026 0.0056 3309 GLU 6 OE2 0.0044 -0.0126 0.0044 3310 GLU 7 N 0.0083 0.0001 0.0052 3311 GLU 7 CA 0.0103 -0.0010 0.0054 3312 GLU 7 C 0.0084 0.0007 0.0052 3313 GLU 7 O 0.0106 0.0019 0.0053 3314 GLU 7 CB 0.0098 -0.0046 0.0054 3315 GLU 7 CG 0.0123 -0.0063 0.0056 3316 GLU 7 CD 0.0112 -0.0093 0.0056 3317 GLU 7 OE1 0.0143 -0.0107 0.0058 3318 GLU 7 OE2 0.0091 -0.0112 0.0055 3319 LYS 8 N 0.0057 0.0005 0.0051 3320 LYS 8 CA 0.0041 0.0020 0.0050 3321 LYS 8 C 0.0045 0.0051 0.0050 3322 LYS 8 O 0.0059 0.0067 0.0050 3323 LYS 8 CB 0.0000 0.0011 0.0048 3324 LYS 8 CG -0.0005 0.0021 0.0048 3325 LYS 8 CD -0.0032 0.0012 0.0046 3326 LYS 8 CE -0.0047 0.0038 0.0045 3327 LYS 8 NZ -0.0088 0.0021 0.0043 3328 SER 9 N 0.0047 0.0069 0.0049 3329 SER 9 CA 0.0059 0.0100 0.0049 3330 SER 9 C 0.0093 0.0105 0.0051 3331 SER 9 O 0.0097 0.0132 0.0051 3332 SER 9 CB 0.0043 0.0119 0.0048 3333 SER 9 OG 0.0053 0.0135 0.0048 3334 ALA 10 N 0.0046 0.0053 0.0027 3335 ALA 10 CA 0.0067 0.0061 0.0032 3336 ALA 10 C 0.0062 0.0056 0.0030 3337 ALA 10 O 0.0071 0.0070 0.0035 3338 ALA 10 CB 0.0078 0.0043 0.0027 3339 VAL 11 N 0.0050 0.0043 0.0024 3340 VAL 11 CA 0.0046 0.0039 0.0023 3341 VAL 11 C 0.0035 0.0056 0.0027 3342 VAL 11 O 0.0042 0.0062 0.0030 3343 VAL 11 CB 0.0033 0.0020 0.0015 3344 VAL 11 CG1 0.0027 0.0019 0.0014 3345 VAL 11 CG2 0.0050 0.0001 0.0010 3346 THR 12 N 0.0018 0.0060 0.0027 3347 THR 12 CA 0.0003 0.0078 0.0031 3348 THR 12 C 0.0013 0.0095 0.0038 3349 THR 12 O 0.0014 0.0109 0.0042 3350 THR 12 CB -0.0017 0.0080 0.0030 3351 THR 12 OG1 -0.0028 0.0062 0.0023 3352 THR 12 CG2 -0.0024 0.0099 0.0035 3353 ALA 13 N 0.0024 0.0087 -0.0014 3354 ALA 13 CA 0.0028 0.0089 -0.0008 3355 ALA 13 C 0.0023 0.0086 -0.0011 3356 ALA 13 O 0.0018 0.0085 -0.0007 3357 ALA 13 CB 0.0035 0.0094 -0.0006 3358 LEU 14 N 0.0025 0.0085 -0.0023 3359 LEU 14 CA 0.0022 0.0083 -0.0027 3360 LEU 14 C 0.0011 0.0077 -0.0027 3361 LEU 14 O 0.0007 0.0075 -0.0025 3362 LEU 14 CB 0.0028 0.0083 -0.0039 3363 LEU 14 CG 0.0025 0.0081 -0.0044 3364 LEU 14 CD1 0.0034 0.0087 -0.0041 3365 LEU 14 CD2 0.0027 0.0080 -0.0055 3366 TRP 15 N 0.0007 0.0075 -0.0028 3367 TRP 15 CA -0.0004 0.0069 -0.0030 3368 TRP 15 C -0.0009 0.0068 -0.0019 3369 TRP 15 O -0.0016 0.0064 -0.0018 3370 TRP 15 CB -0.0006 0.0067 -0.0034 3371 TRP 15 CG -0.0015 0.0061 -0.0038 3372 TRP 15 CD1 -0.0024 0.0057 -0.0033 3373 TRP 15 CD2 -0.0018 0.0058 -0.0049 3374 TRP 15 NE1 -0.0031 0.0052 -0.0039 3375 TRP 15 CE2 -0.0029 0.0052 -0.0050 3376 TRP 15 CE3 -0.0012 0.0059 -0.0057 3377 TRP 15 CZ2 -0.0033 0.0048 -0.0058 3378 TRP 15 CZ3 -0.0016 0.0055 -0.0067 3379 TRP 15 CH2 -0.0027 0.0049 -0.0066 3380 GLY 16 N 0.0016 0.0114 -0.0049 3381 GLY 16 CA 0.0015 0.0096 -0.0040 3382 GLY 16 C 0.0007 0.0087 -0.0054 3383 GLY 16 O 0.0004 0.0068 -0.0048 3384 LYS 17 N 0.0001 0.0093 -0.0073 3385 LYS 17 CA -0.0005 0.0089 -0.0088 3386 LYS 17 C -0.0014 0.0075 -0.0102 3387 LYS 17 O -0.0023 0.0066 -0.0119 3388 LYS 17 CB -0.0006 0.0108 -0.0102 3389 LYS 17 CG 0.0002 0.0118 -0.0089 3390 LYS 17 CD -0.0001 0.0130 -0.0104 3391 LYS 17 CE 0.0004 0.0152 -0.0106 3392 LYS 17 NZ -0.0004 0.0145 -0.0124 3393 VAL 18 N -0.0014 0.0075 -0.0102 3394 VAL 18 CA -0.0023 0.0066 -0.0118 3395 VAL 18 C -0.0027 0.0040 -0.0111 3396 VAL 18 O -0.0020 0.0040 -0.0093 3397 VAL 18 CB -0.0021 0.0074 -0.0118 3398 VAL 18 CG1 -0.0026 0.0067 -0.0127 3399 VAL 18 CG2 -0.0017 0.0101 -0.0128 3400 ASN 19 N -0.0140 -0.0002 -0.0213 3401 ASN 19 CA -0.0119 -0.0023 -0.0212 3402 ASN 19 C -0.0105 -0.0009 -0.0192 3403 ASN 19 O -0.0128 0.0004 -0.0200 3404 ASN 19 CB -0.0133 -0.0051 -0.0242 3405 ASN 19 CG -0.0097 -0.0086 -0.0241 3406 ASN 19 OD1 -0.0088 -0.0079 -0.0229 3407 ASN 19 ND2 -0.0116 -0.0111 -0.0272 3408 VAL 20 N -0.0079 -0.0005 -0.0170 3409 VAL 20 CA -0.0070 0.0018 -0.0148 3410 VAL 20 C -0.0077 0.0016 -0.0155 3411 VAL 20 O -0.0085 0.0030 -0.0151 3412 VAL 20 CB -0.0030 0.0035 -0.0107 3413 VAL 20 CG1 -0.0043 0.0042 -0.0111 3414 VAL 20 CG2 -0.0026 0.0029 -0.0109 3415 ASP 21 N -0.0061 -0.0020 -0.0168 3416 ASP 21 CA -0.0075 -0.0033 -0.0188 3417 ASP 21 C -0.0096 -0.0032 -0.0202 3418 ASP 21 O -0.0108 -0.0011 -0.0195 3419 ASP 21 CB -0.0055 -0.0072 -0.0201 3420 ASP 21 CG -0.0012 -0.0085 -0.0179 3421 ASP 21 OD1 0.0014 -0.0065 -0.0145 3422 ASP 21 OD2 0.0004 -0.0112 -0.0186 3423 GLU 22 N -0.0096 0.0000 -0.0164 3424 GLU 22 CA -0.0121 0.0003 -0.0178 3425 GLU 22 C -0.0134 0.0036 -0.0161 3426 GLU 22 O -0.0152 0.0043 -0.0167 3427 GLU 22 CB -0.0132 -0.0010 -0.0195 3428 GLU 22 CG -0.0145 -0.0001 -0.0197 3429 GLU 22 CD -0.0182 -0.0013 -0.0230 3430 GLU 22 OE1 -0.0186 -0.0013 -0.0232 3431 GLU 22 OE2 -0.0173 -0.0032 -0.0239 3432 VAL 23 N -0.0136 0.0046 -0.0154 3433 VAL 23 CA -0.0150 0.0073 -0.0142 3434 VAL 23 C -0.0137 0.0085 -0.0124 3435 VAL 23 O -0.0152 0.0103 -0.0120 3436 VAL 23 CB -0.0148 0.0084 -0.0133 3437 VAL 23 CG1 -0.0154 0.0108 -0.0118 3438 VAL 23 CG2 -0.0166 0.0072 -0.0153 3439 GLY 24 N -0.0114 0.0080 -0.0114 3440 GLY 24 CA -0.0100 0.0089 -0.0098 3441 GLY 24 C -0.0109 0.0086 -0.0105 3442 GLY 24 O -0.0117 0.0102 -0.0098 3443 GLY 25 N -0.0120 0.0102 -0.0070 3444 GLY 25 CA -0.0110 0.0105 -0.0065 3445 GLY 25 C -0.0103 0.0098 -0.0060 3446 GLY 25 O -0.0098 0.0093 -0.0057 3447 GLU 26 N -0.0103 0.0098 -0.0060 3448 GLU 26 CA -0.0095 0.0092 -0.0055 3449 GLU 26 C -0.0096 0.0078 -0.0055 3450 GLU 26 O -0.0089 0.0073 -0.0051 3451 GLU 26 CB -0.0094 0.0093 -0.0055 3452 GLU 26 CG -0.0081 0.0103 -0.0047 3453 GLU 26 CD -0.0085 0.0088 -0.0049 3454 GLU 26 OE1 -0.0072 0.0090 -0.0041 3455 GLU 26 OE2 -0.0086 0.0095 -0.0050 3456 ALA 27 N -0.0105 0.0074 -0.0060 3457 ALA 27 CA -0.0108 0.0062 -0.0061 3458 ALA 27 C -0.0105 0.0058 -0.0060 3459 ALA 27 O -0.0100 0.0050 -0.0056 3460 ALA 27 CB -0.0117 0.0059 -0.0067 3461 LEU 28 N -0.0079 0.0075 -0.0043 3462 LEU 28 CA -0.0086 0.0072 -0.0050 3463 LEU 28 C -0.0072 0.0073 -0.0040 3464 LEU 28 O -0.0068 0.0063 -0.0045 3465 LEU 28 CB -0.0105 0.0085 -0.0054 3466 LEU 28 CG -0.0114 0.0079 -0.0065 3467 LEU 28 CD1 -0.0113 0.0061 -0.0078 3468 LEU 28 CD2 -0.0131 0.0093 -0.0066 3469 GLY 29 N -0.0066 0.0088 -0.0024 3470 GLY 29 CA -0.0053 0.0090 -0.0013 3471 GLY 29 C -0.0035 0.0073 -0.0014 3472 GLY 29 O -0.0028 0.0068 -0.0012 3473 ARG 30 N -0.0028 0.0068 -0.0013 3474 ARG 30 CA -0.0011 0.0052 -0.0013 3475 ARG 30 C -0.0014 0.0035 -0.0027 3476 ARG 30 O -0.0001 0.0025 -0.0026 3477 ARG 30 CB -0.0002 0.0051 -0.0007 3478 ARG 30 CG 0.0009 0.0063 0.0009 3479 ARG 30 CD 0.0015 0.0061 0.0013 3480 ARG 30 NE 0.0023 0.0071 0.0026 3481 ARG 30 CZ 0.0040 0.0072 0.0038 3482 ARG 30 NH1 0.0047 0.0083 0.0051 3483 ARG 30 NH2 0.0055 0.0055 0.0036 3484 LEU 31 N -0.0024 0.0052 -0.0005 3485 LEU 31 CA -0.0028 0.0033 -0.0004 3486 LEU 31 C -0.0013 0.0023 -0.0002 3487 LEU 31 O -0.0007 0.0008 -0.0001 3488 LEU 31 CB -0.0050 0.0029 -0.0005 3489 LEU 31 CG -0.0055 0.0009 -0.0004 3490 LEU 31 CD1 -0.0060 -0.0002 -0.0003 3491 LEU 31 CD2 -0.0071 0.0007 -0.0005 3492 LEU 32 N -0.0013 0.0033 -0.0003 3493 LEU 32 CA -0.0000 0.0027 -0.0002 3494 LEU 32 C 0.0019 0.0026 -0.0000 3495 LEU 32 O 0.0031 0.0014 0.0001 3496 LEU 32 CB -0.0004 0.0036 -0.0002 3497 LEU 32 CG -0.0022 0.0032 -0.0003 3498 LEU 32 CD1 -0.0025 0.0048 -0.0004 3499 LEU 32 CD2 -0.0031 0.0017 -0.0003 3500 VAL 33 N 0.0026 0.0039 -0.0001 3501 VAL 33 CA 0.0047 0.0041 0.0000 3502 VAL 33 C 0.0050 0.0024 0.0002 3503 VAL 33 O 0.0064 0.0016 0.0003 3504 VAL 33 CB 0.0050 0.0061 -0.0001 3505 VAL 33 CG1 0.0069 0.0060 0.0000 3506 VAL 33 CG2 0.0050 0.0074 -0.0002 3507 VAL 34 N 0.0096 -0.0005 0.0033 3508 VAL 34 CA 0.0101 -0.0024 0.0036 3509 VAL 34 C 0.0100 -0.0045 0.0037 3510 VAL 34 O 0.0107 -0.0061 0.0042 3511 VAL 34 CB 0.0089 -0.0023 0.0031 3512 VAL 34 CG1 0.0090 -0.0043 0.0033 3513 VAL 34 CG2 0.0096 -0.0004 0.0033 3514 TYR 35 N 0.0083 -0.0045 0.0030 3515 TYR 35 CA 0.0077 -0.0066 0.0029 3516 TYR 35 C 0.0078 -0.0057 0.0028 3517 TYR 35 O 0.0062 -0.0056 0.0021 3518 TYR 35 CB 0.0056 -0.0072 0.0020 3519 TYR 35 CG 0.0052 -0.0076 0.0018 3520 TYR 35 CD1 0.0062 -0.0094 0.0024 3521 TYR 35 CD2 0.0042 -0.0065 0.0013 3522 TYR 35 CE1 0.0061 -0.0101 0.0024 3523 TYR 35 CE2 0.0041 -0.0070 0.0013 3524 TYR 35 CZ 0.0049 -0.0088 0.0018 3525 TYR 35 OH 0.0048 -0.0088 0.0017 3526 PRO 36 N 0.0096 -0.0056 0.0036 3527 PRO 36 CA 0.0098 -0.0045 0.0036 3528 PRO 36 C 0.0088 -0.0057 0.0033 3529 PRO 36 O 0.0084 -0.0046 0.0030 3530 PRO 36 CB 0.0121 -0.0041 0.0046 3531 PRO 36 CG 0.0129 -0.0056 0.0051 3532 PRO 36 CD 0.0114 -0.0060 0.0045 3533 TRP 37 N 0.0086 -0.0070 0.0031 3534 TRP 37 CA 0.0068 -0.0083 0.0020 3535 TRP 37 C 0.0040 -0.0076 0.0016 3536 TRP 37 O 0.0020 -0.0080 0.0008 3537 TRP 37 CB 0.0074 -0.0111 0.0008 3538 TRP 37 CG 0.0077 -0.0115 0.0007 3539 TRP 37 CD1 0.0059 -0.0119 -0.0000 3540 TRP 37 CD2 0.0103 -0.0117 0.0013 3541 TRP 37 NE1 0.0069 -0.0125 -0.0000 3542 TRP 37 CE2 0.0095 -0.0120 0.0009 3543 TRP 37 CE3 0.0128 -0.0111 0.0022 3544 TRP 37 CZ2 0.0115 -0.0124 0.0013 3545 TRP 37 CZ3 0.0147 -0.0111 0.0028 3546 TRP 37 CH2 0.0138 -0.0119 0.0021 3547 THR 38 N 0.0036 -0.0060 0.0022 3548 THR 38 CA 0.0011 -0.0047 0.0021 3549 THR 38 C -0.0003 -0.0031 0.0026 3550 THR 38 O -0.0027 -0.0022 0.0023 3551 THR 38 CB 0.0011 -0.0032 0.0029 3552 THR 38 OG1 0.0027 -0.0014 0.0042 3553 THR 38 CG2 0.0017 -0.0052 0.0021 3554 GLN 39 N 0.0016 -0.0021 0.0035 3555 GLN 39 CA 0.0003 -0.0005 0.0040 3556 GLN 39 C -0.0013 -0.0017 0.0030 3557 GLN 39 O -0.0029 -0.0006 0.0031 3558 GLN 39 CB 0.0028 -0.0001 0.0049 3559 GLN 39 CG 0.0044 0.0015 0.0060 3560 GLN 39 CD 0.0066 0.0021 0.0069 3561 GLN 39 OE1 0.0070 0.0017 0.0069 3562 GLN 39 NE2 0.0088 0.0029 0.0079 3563 ARG 40 N -0.0023 -0.0035 0.0008 3564 ARG 40 CA -0.0032 -0.0053 0.0005 3565 ARG 40 C -0.0047 -0.0054 0.0022 3566 ARG 40 O -0.0060 -0.0073 0.0023 3567 ARG 40 CB -0.0030 -0.0054 0.0002 3568 ARG 40 CG -0.0034 -0.0048 0.0012 3569 ARG 40 CD -0.0027 -0.0051 -0.0000 3570 ARG 40 NE -0.0031 -0.0068 -0.0008 3571 ARG 40 CZ -0.0047 -0.0082 0.0000 3572 ARG 40 NH1 -0.0053 -0.0075 0.0013 3573 ARG 40 NH2 -0.0045 -0.0098 -0.0014 3574 PHE 41 N -0.0052 -0.0041 0.0038 3575 PHE 41 CA -0.0067 -0.0043 0.0055 3576 PHE 41 C -0.0073 -0.0043 0.0062 3577 PHE 41 O -0.0085 -0.0044 0.0076 3578 PHE 41 CB -0.0069 -0.0029 0.0069 3579 PHE 41 CG -0.0064 -0.0029 0.0062 3580 PHE 41 CD1 -0.0048 -0.0016 0.0053 3581 PHE 41 CD2 -0.0072 -0.0042 0.0062 3582 PHE 41 CE1 -0.0048 -0.0020 0.0050 3583 PHE 41 CE2 -0.0069 -0.0046 0.0055 3584 PHE 41 CZ -0.0054 -0.0031 0.0049 3585 PHE 42 N -0.0063 -0.0040 0.0052 3586 PHE 42 CA -0.0067 -0.0033 0.0062 3587 PHE 42 C -0.0067 -0.0046 0.0053 3588 PHE 42 O -0.0061 -0.0040 0.0050 3589 PHE 42 CB -0.0057 -0.0014 0.0065 3590 PHE 42 CG -0.0061 -0.0003 0.0079 3591 PHE 42 CD1 -0.0046 0.0008 0.0069 3592 PHE 42 CD2 -0.0073 0.0001 0.0097 3593 PHE 42 CE1 -0.0051 0.0019 0.0084 3594 PHE 42 CE2 -0.0075 0.0010 0.0107 3595 PHE 42 CZ -0.0062 0.0021 0.0099 3596 GLU 43 N -0.0030 -0.0154 0.0049 3597 GLU 43 CA 0.0008 -0.0177 0.0017 3598 GLU 43 C 0.0022 -0.0191 0.0008 3599 GLU 43 O 0.0048 -0.0197 -0.0018 3600 GLU 43 CB 0.0014 -0.0217 0.0027 3601 GLU 43 CG 0.0013 -0.0241 0.0037 3602 GLU 43 CD 0.0028 -0.0238 0.0020 3603 GLU 43 OE1 0.0065 -0.0230 -0.0023 3604 GLU 43 OE2 0.0038 -0.0264 0.0020 3605 SER 44 N -0.0010 -0.0185 0.0039 3606 SER 44 CA -0.0012 -0.0192 0.0045 3607 SER 44 C -0.0006 -0.0154 0.0023 3608 SER 44 O -0.0005 -0.0142 0.0017 3609 SER 44 CB -0.0041 -0.0197 0.0078 3610 SER 44 OG -0.0068 -0.0166 0.0095 3611 PHE 45 N -0.0005 -0.0109 0.0004 3612 PHE 45 CA -0.0006 -0.0064 -0.0013 3613 PHE 45 C 0.0034 -0.0062 -0.0057 3614 PHE 45 O 0.0025 -0.0020 -0.0064 3615 PHE 45 CB -0.0023 -0.0028 -0.0009 3616 PHE 45 CG -0.0059 -0.0015 0.0025 3617 PHE 45 CD1 -0.0075 0.0030 0.0024 3618 PHE 45 CD2 -0.0079 -0.0035 0.0054 3619 PHE 45 CE1 -0.0115 0.0043 0.0062 3620 PHE 45 CE2 -0.0113 -0.0025 0.0087 3621 PHE 45 CZ -0.0133 0.0015 0.0093 3622 GLY 46 N 0.0077 -0.0051 0.0010 3623 GLY 46 CA 0.0077 -0.0056 -0.0009 3624 GLY 46 C 0.0056 -0.0050 -0.0016 3625 GLY 46 O 0.0051 -0.0041 0.0008 3626 ASP 47 N 0.0046 -0.0053 -0.0039 3627 ASP 47 CA 0.0037 -0.0047 -0.0029 3628 ASP 47 C 0.0002 -0.0034 -0.0035 3629 ASP 47 O 0.0002 -0.0040 -0.0053 3630 ASP 47 CB 0.0035 -0.0056 -0.0065 3631 ASP 47 CG 0.0014 -0.0050 -0.0071 3632 ASP 47 OD1 0.0013 -0.0056 -0.0096 3633 ASP 47 OD2 0.0010 -0.0043 -0.0054 3634 LEU 48 N -0.0004 -0.0027 -0.0018 3635 LEU 48 CA -0.0030 -0.0015 -0.0012 3636 LEU 48 C -0.0051 -0.0008 -0.0017 3637 LEU 48 O -0.0067 0.0003 -0.0002 3638 LEU 48 CB -0.0027 -0.0009 0.0012 3639 LEU 48 CG -0.0013 -0.0015 0.0011 3640 LEU 48 CD1 -0.0013 -0.0006 0.0041 3641 LEU 48 CD2 -0.0019 -0.0018 -0.0007 3642 SER 49 N -0.0111 -0.0000 -0.0025 3643 SER 49 CA -0.0128 0.0019 -0.0041 3644 SER 49 C -0.0145 0.0020 -0.0055 3645 SER 49 O -0.0149 0.0046 -0.0061 3646 SER 49 CB -0.0147 0.0002 -0.0054 3647 SER 49 OG -0.0153 -0.0022 -0.0057 3648 THR 50 N -0.0137 0.0003 -0.0047 3649 THR 50 CA -0.0141 0.0022 -0.0052 3650 THR 50 C -0.0127 0.0011 -0.0039 3651 THR 50 O -0.0112 -0.0002 -0.0025 3652 THR 50 CB -0.0161 -0.0011 -0.0064 3653 THR 50 OG1 -0.0153 -0.0039 -0.0056 3654 THR 50 CG2 -0.0178 -0.0010 -0.0079 3655 PRO 51 N -0.0129 0.0020 -0.0042 3656 PRO 51 CA -0.0116 0.0017 -0.0031 3657 PRO 51 C -0.0108 -0.0007 -0.0022 3658 PRO 51 O -0.0089 -0.0016 -0.0006 3659 PRO 51 CB -0.0126 0.0030 -0.0040 3660 PRO 51 CG -0.0136 0.0049 -0.0051 3661 PRO 51 CD -0.0148 0.0038 -0.0059 3662 ASP 52 N -0.0144 0.0000 -0.0061 3663 ASP 52 CA -0.0130 -0.0018 -0.0079 3664 ASP 52 C -0.0105 -0.0010 -0.0075 3665 ASP 52 O -0.0095 -0.0021 -0.0086 3666 ASP 52 CB -0.0144 -0.0023 -0.0082 3667 ASP 52 CG -0.0172 -0.0031 -0.0087 3668 ASP 52 OD1 -0.0174 -0.0033 -0.0088 3669 ASP 52 OD2 -0.0184 -0.0003 -0.0060 3670 ALA 53 N -0.0103 0.0001 -0.0064 3671 ALA 53 CA -0.0082 0.0008 -0.0060 3672 ALA 53 C -0.0064 0.0012 -0.0058 3673 ALA 53 O -0.0052 0.0008 -0.0063 3674 ALA 53 CB -0.0077 0.0022 -0.0048 3675 VAL 54 N -0.0077 0.0024 -0.0046 3676 VAL 54 CA -0.0065 0.0027 -0.0045 3677 VAL 54 C -0.0063 0.0012 -0.0059 3678 VAL 54 O -0.0043 0.0007 -0.0065 3679 VAL 54 CB -0.0081 0.0039 -0.0032 3680 VAL 54 CG1 -0.0068 0.0040 -0.0033 3681 VAL 54 CG2 -0.0082 0.0053 -0.0019 3682 MET 55 N -0.0084 0.0038 -0.0081 3683 MET 55 CA -0.0085 0.0036 -0.0085 3684 MET 55 C -0.0083 0.0039 -0.0088 3685 MET 55 O -0.0083 0.0038 -0.0091 3686 MET 55 CB -0.0087 0.0033 -0.0084 3687 MET 55 CG -0.0088 0.0031 -0.0082 3688 MET 55 SD -0.0090 0.0028 -0.0083 3689 MET 55 CE -0.0091 0.0027 -0.0087 3690 GLY 56 N -0.0081 0.0041 -0.0085 3691 GLY 56 CA -0.0080 0.0043 -0.0088 3692 GLY 56 C -0.0078 0.0046 -0.0090 3693 GLY 56 O -0.0077 0.0049 -0.0091 3694 ASN 57 N -0.0078 0.0047 -0.0088 3695 ASN 57 CA -0.0076 0.0050 -0.0089 3696 ASN 57 C -0.0076 0.0049 -0.0093 3697 ASN 57 O -0.0078 0.0047 -0.0096 3698 ASN 57 CB -0.0076 0.0049 -0.0086 3699 ASN 57 CG -0.0075 0.0052 -0.0087 3700 ASN 57 OD1 -0.0074 0.0053 -0.0090 3701 ASN 57 ND2 -0.0074 0.0053 -0.0084 3702 PRO 58 N -0.0049 0.0079 -0.0138 3703 PRO 58 CA -0.0061 0.0086 -0.0141 3704 PRO 58 C -0.0072 0.0073 -0.0118 3705 PRO 58 O -0.0092 0.0081 -0.0119 3706 PRO 58 CB -0.0043 0.0086 -0.0150 3707 PRO 58 CG -0.0025 0.0077 -0.0147 3708 PRO 58 CD -0.0022 0.0076 -0.0147 3709 LYS 59 N -0.0064 0.0061 -0.0104 3710 LYS 59 CA -0.0074 0.0052 -0.0086 3711 LYS 59 C -0.0099 0.0052 -0.0075 3712 LYS 59 O -0.0114 0.0051 -0.0066 3713 LYS 59 CB -0.0060 0.0036 -0.0071 3714 LYS 59 CG -0.0041 0.0032 -0.0074 3715 LYS 59 CD -0.0028 0.0023 -0.0068 3716 LYS 59 CE -0.0015 0.0009 -0.0053 3717 LYS 59 NZ 0.0009 0.0011 -0.0068 3718 VAL 60 N -0.0095 0.0057 -0.0083 3719 VAL 60 CA -0.0119 0.0062 -0.0078 3720 VAL 60 C -0.0136 0.0073 -0.0085 3721 VAL 60 O -0.0157 0.0075 -0.0079 3722 VAL 60 CB -0.0112 0.0060 -0.0079 3723 VAL 60 CG1 -0.0136 0.0069 -0.0080 3724 VAL 60 CG2 -0.0095 0.0047 -0.0069 3725 LYS 61 N -0.0118 0.0053 -0.0104 3726 LYS 61 CA -0.0121 0.0045 -0.0123 3727 LYS 61 C -0.0100 0.0043 -0.0113 3728 LYS 61 O -0.0108 0.0049 -0.0105 3729 LYS 61 CB -0.0121 0.0029 -0.0157 3730 LYS 61 CG -0.0146 0.0031 -0.0171 3731 LYS 61 CD -0.0138 0.0016 -0.0197 3732 LYS 61 CE -0.0167 0.0012 -0.0225 3733 LYS 61 NZ -0.0158 -0.0003 -0.0250 3734 ALA 62 N -0.0069 0.0037 -0.0103 3735 ALA 62 CA -0.0044 0.0035 -0.0090 3736 ALA 62 C -0.0050 0.0051 -0.0061 3737 ALA 62 O -0.0049 0.0053 -0.0056 3738 ALA 62 CB -0.0013 0.0025 -0.0088 3739 HIS 63 N -0.0059 0.0063 -0.0042 3740 HIS 63 CA -0.0065 0.0079 -0.0012 3741 HIS 63 C -0.0098 0.0089 -0.0014 3742 HIS 63 O -0.0097 0.0098 0.0004 3743 HIS 63 CB -0.0064 0.0089 0.0009 3744 HIS 63 CG -0.0062 0.0107 0.0047 3745 HIS 63 ND1 -0.0038 0.0104 0.0058 3746 HIS 63 CD2 -0.0092 0.0122 0.0059 3747 HIS 63 CE1 -0.0056 0.0124 0.0087 3748 HIS 63 NE2 -0.0074 0.0130 0.0086 3749 GLY 64 N -0.0084 0.0093 -0.0021 3750 GLY 64 CA -0.0133 0.0102 -0.0031 3751 GLY 64 C -0.0113 0.0077 -0.0048 3752 GLY 64 O -0.0114 0.0098 -0.0028 3753 LYS 65 N -0.0060 0.0022 -0.0082 3754 LYS 65 CA -0.0023 -0.0005 -0.0094 3755 LYS 65 C 0.0034 0.0021 -0.0046 3756 LYS 65 O 0.0036 0.0023 -0.0043 3757 LYS 65 CB 0.0015 -0.0066 -0.0140 3758 LYS 65 CG 0.0049 -0.0087 -0.0148 3759 LYS 65 CD 0.0105 -0.0158 -0.0197 3760 LYS 65 CE 0.0173 -0.0172 -0.0184 3761 LYS 65 NZ 0.0190 -0.0236 -0.0241 3762 LYS 66 N 0.0074 0.0044 -0.0008 3763 LYS 66 CA 0.0133 0.0070 0.0041 3764 LYS 66 C 0.0085 0.0115 0.0067 3765 LYS 66 O 0.0114 0.0133 0.0096 3766 LYS 66 CB 0.0171 0.0084 0.0069 3767 LYS 66 CG 0.0214 0.0103 0.0105 3768 LYS 66 CD 0.0297 0.0069 0.0104 3769 LYS 66 CE 0.0377 0.0091 0.0157 3770 LYS 66 NZ 0.0436 0.0126 0.0214 3771 VAL 67 N -0.0015 0.0049 0.0029 3772 VAL 67 CA -0.0026 0.0074 0.0046 3773 VAL 67 C -0.0040 0.0071 0.0037 3774 VAL 67 O -0.0037 0.0084 0.0050 3775 VAL 67 CB -0.0049 0.0087 0.0048 3776 VAL 67 CG1 -0.0074 0.0106 0.0053 3777 VAL 67 CG2 -0.0035 0.0090 0.0058 3778 LEU 68 N -0.0055 0.0056 0.0015 3779 LEU 68 CA -0.0070 0.0056 0.0008 3780 LEU 68 C -0.0048 0.0043 0.0006 3781 LEU 68 O -0.0050 0.0047 0.0009 3782 LEU 68 CB -0.0094 0.0043 -0.0017 3783 LEU 68 CG -0.0123 0.0054 -0.0022 3784 LEU 68 CD1 -0.0134 0.0075 -0.0007 3785 LEU 68 CD2 -0.0142 0.0041 -0.0043 3786 GLY 69 N -0.0022 0.0026 0.0003 3787 GLY 69 CA 0.0003 0.0018 0.0009 3788 GLY 69 C 0.0017 0.0036 0.0033 3789 GLY 69 O 0.0019 0.0037 0.0035 3790 ALA 70 N -0.0058 -0.0015 0.0041 3791 ALA 70 CA -0.0053 -0.0011 0.0040 3792 ALA 70 C -0.0047 -0.0005 0.0038 3793 ALA 70 O -0.0040 -0.0001 0.0041 3794 ALA 70 CB -0.0058 -0.0010 0.0033 3795 PHE 71 N -0.0049 -0.0003 0.0034 3796 PHE 71 CA -0.0042 0.0003 0.0032 3797 PHE 71 C -0.0037 0.0002 0.0040 3798 PHE 71 O -0.0031 0.0007 0.0042 3799 PHE 71 CB -0.0046 0.0004 0.0027 3800 PHE 71 CG -0.0041 0.0010 0.0025 3801 PHE 71 CD1 -0.0040 0.0016 0.0018 3802 PHE 71 CD2 -0.0038 0.0008 0.0031 3803 PHE 71 CE1 -0.0035 0.0021 0.0017 3804 PHE 71 CE2 -0.0033 0.0015 0.0028 3805 PHE 71 CZ -0.0031 0.0021 0.0022 3806 SER 72 N -0.0040 -0.0004 0.0045 3807 SER 72 CA -0.0036 -0.0006 0.0053 3808 SER 72 C -0.0029 -0.0004 0.0057 3809 SER 72 O -0.0022 -0.0001 0.0061 3810 SER 72 CB -0.0037 -0.0012 0.0060 3811 SER 72 OG -0.0042 -0.0013 0.0054 3812 ASP 73 N -0.0027 -0.0033 0.0112 3813 ASP 73 CA -0.0026 -0.0032 0.0114 3814 ASP 73 C -0.0018 -0.0027 0.0112 3815 ASP 73 O -0.0010 -0.0022 0.0117 3816 ASP 73 CB -0.0041 -0.0042 0.0115 3817 ASP 73 CG -0.0044 -0.0044 0.0126 3818 ASP 73 OD1 -0.0051 -0.0050 0.0133 3819 ASP 73 OD2 -0.0065 -0.0058 0.0118 3820 GLY 74 N -0.0012 -0.0022 0.0095 3821 GLY 74 CA -0.0002 -0.0016 0.0089 3822 GLY 74 C 0.0012 -0.0006 0.0093 3823 GLY 74 O 0.0022 -0.0000 0.0093 3824 LEU 75 N 0.0012 -0.0007 0.0099 3825 LEU 75 CA 0.0025 0.0001 0.0107 3826 LEU 75 C 0.0029 0.0003 0.0120 3827 LEU 75 O 0.0040 0.0010 0.0125 3828 LEU 75 CB 0.0025 0.0001 0.0108 3829 LEU 75 CG 0.0028 0.0004 0.0097 3830 LEU 75 CD1 0.0032 0.0007 0.0084 3831 LEU 75 CD2 0.0023 0.0001 0.0093 3832 ALA 76 N 0.0056 -0.0033 0.0168 3833 ALA 76 CA 0.0048 -0.0032 0.0175 3834 ALA 76 C 0.0050 -0.0035 0.0163 3835 ALA 76 O 0.0053 -0.0034 0.0166 3836 ALA 76 CB 0.0036 -0.0032 0.0181 3837 HIS 77 N 0.0055 -0.0039 0.0147 3838 HIS 77 CA 0.0056 -0.0041 0.0137 3839 HIS 77 C 0.0065 -0.0045 0.0119 3840 HIS 77 O 0.0064 -0.0049 0.0104 3841 HIS 77 CB 0.0038 -0.0046 0.0125 3842 HIS 77 CG 0.0024 -0.0044 0.0135 3843 HIS 77 ND1 0.0016 -0.0043 0.0141 3844 HIS 77 CD2 0.0019 -0.0044 0.0137 3845 HIS 77 CE1 0.0001 -0.0041 0.0156 3846 HIS 77 NE2 0.0007 -0.0040 0.0155 3847 LEU 78 N 0.0083 -0.0042 0.0125 3848 LEU 78 CA 0.0095 -0.0044 0.0116 3849 LEU 78 C 0.0102 -0.0047 0.0102 3850 LEU 78 O 0.0108 -0.0049 0.0091 3851 LEU 78 CB 0.0110 -0.0040 0.0126 3852 LEU 78 CG 0.0112 -0.0040 0.0126 3853 LEU 78 CD1 0.0123 -0.0035 0.0143 3854 LEU 78 CD2 0.0109 -0.0041 0.0120 3855 ASP 79 N 0.0130 -0.0089 0.0083 3856 ASP 79 CA 0.0148 -0.0080 0.0061 3857 ASP 79 C 0.0137 -0.0066 0.0039 3858 ASP 79 O 0.0144 -0.0056 0.0018 3859 ASP 79 CB 0.0164 -0.0087 0.0072 3860 ASP 79 CG 0.0171 -0.0099 0.0093 3861 ASP 79 OD1 0.0205 -0.0107 0.0100 3862 ASP 79 OD2 0.0198 -0.0095 0.0079 3863 ASN 80 N 0.0110 -0.0069 0.0050 3864 ASN 80 CA 0.0094 -0.0053 0.0024 3865 ASN 80 C 0.0059 -0.0052 0.0030 3866 ASN 80 O 0.0044 -0.0047 0.0025 3867 ASN 80 CB 0.0093 -0.0052 0.0023 3868 ASN 80 CG 0.0090 -0.0052 0.0023 3869 ASN 80 OD1 0.0084 -0.0036 -0.0006 3870 ASN 80 ND2 0.0087 -0.0063 0.0045 3871 LEU 81 N 0.0061 -0.0049 0.0023 3872 LEU 81 CA 0.0032 -0.0046 0.0025 3873 LEU 81 C 0.0015 -0.0032 0.0003 3874 LEU 81 O -0.0009 -0.0031 0.0007 3875 LEU 81 CB 0.0037 -0.0046 0.0024 3876 LEU 81 CG 0.0041 -0.0060 0.0050 3877 LEU 81 CD1 0.0048 -0.0060 0.0047 3878 LEU 81 CD2 0.0026 -0.0069 0.0071 3879 LYS 82 N 0.0023 -0.0038 -0.0017 3880 LYS 82 CA 0.0012 -0.0024 -0.0031 3881 LYS 82 C 0.0007 -0.0020 -0.0032 3882 LYS 82 O -0.0008 -0.0011 -0.0034 3883 LYS 82 CB 0.0026 -0.0019 -0.0050 3884 LYS 82 CG 0.0025 -0.0016 -0.0052 3885 LYS 82 CD 0.0038 -0.0008 -0.0075 3886 LYS 82 CE 0.0034 -0.0018 -0.0057 3887 LYS 82 NZ 0.0059 -0.0021 -0.0072 3888 GLY 83 N 0.0019 -0.0027 -0.0030 3889 GLY 83 CA 0.0014 -0.0021 -0.0036 3890 GLY 83 C 0.0002 -0.0026 -0.0019 3891 GLY 83 O -0.0017 -0.0015 -0.0019 3892 THR 84 N -0.0001 -0.0036 0.0000 3893 THR 84 CA -0.0014 -0.0039 0.0015 3894 THR 84 C -0.0036 -0.0025 0.0012 3895 THR 84 O -0.0049 -0.0026 0.0023 3896 THR 84 CB -0.0011 -0.0052 0.0034 3897 THR 84 OG1 0.0005 -0.0060 0.0033 3898 THR 84 CG2 -0.0024 -0.0058 0.0053 3899 PHE 85 N -0.0006 -0.0036 -0.0028 3900 PHE 85 CA -0.0016 -0.0027 -0.0020 3901 PHE 85 C -0.0009 -0.0010 -0.0018 3902 PHE 85 O -0.0015 0.0001 -0.0011 3903 PHE 85 CB -0.0030 -0.0029 -0.0012 3904 PHE 85 CG -0.0036 -0.0043 -0.0014 3905 PHE 85 CD1 -0.0040 -0.0056 -0.0016 3906 PHE 85 CD2 -0.0041 -0.0045 -0.0011 3907 PHE 85 CE1 -0.0047 -0.0071 -0.0017 3908 PHE 85 CE2 -0.0046 -0.0061 -0.0014 3909 PHE 85 CZ -0.0050 -0.0074 -0.0016 3910 ALA 86 N 0.0002 -0.0004 -0.0022 3911 ALA 86 CA 0.0006 0.0013 -0.0019 3912 ALA 86 C 0.0009 0.0021 -0.0018 3913 ALA 86 O 0.0004 0.0034 -0.0011 3914 ALA 86 CB 0.0022 0.0016 -0.0027 3915 THR 87 N 0.0014 0.0014 -0.0023 3916 THR 87 CA 0.0016 0.0023 -0.0021 3917 THR 87 C 0.0002 0.0025 -0.0013 3918 THR 87 O 0.0000 0.0037 -0.0008 3919 THR 87 CB 0.0025 0.0015 -0.0029 3920 THR 87 OG1 0.0038 0.0014 -0.0037 3921 THR 87 CG2 0.0029 0.0024 -0.0028 3922 LEU 88 N 0.0016 0.0002 -0.0037 3923 LEU 88 CA 0.0002 0.0001 -0.0034 3924 LEU 88 C -0.0011 0.0014 -0.0025 3925 LEU 88 O -0.0019 0.0021 -0.0019 3926 LEU 88 CB -0.0010 -0.0014 -0.0040 3927 LEU 88 CG -0.0002 -0.0027 -0.0048 3928 LEU 88 CD1 -0.0012 -0.0041 -0.0053 3929 LEU 88 CD2 -0.0001 -0.0023 -0.0046 3930 SER 89 N -0.0010 0.0018 -0.0023 3931 SER 89 CA -0.0018 0.0032 -0.0014 3932 SER 89 C -0.0014 0.0046 -0.0007 3933 SER 89 O -0.0021 0.0056 0.0000 3934 SER 89 CB -0.0017 0.0036 -0.0012 3935 SER 89 OG -0.0027 0.0047 -0.0003 3936 GLU 90 N 0.0004 0.0051 -0.0008 3937 GLU 90 CA 0.0013 0.0062 -0.0004 3938 GLU 90 C 0.0010 0.0062 -0.0003 3939 GLU 90 O 0.0006 0.0072 0.0003 3940 GLU 90 CB 0.0032 0.0063 -0.0008 3941 GLU 90 CG 0.0037 0.0079 -0.0000 3942 GLU 90 CD 0.0064 0.0078 -0.0006 3943 GLU 90 OE1 0.0068 0.0077 -0.0008 3944 GLU 90 OE2 0.0062 0.0064 -0.0013 3945 LEU 91 N 0.0030 0.0026 -0.0019 3946 LEU 91 CA 0.0033 0.0023 -0.0023 3947 LEU 91 C 0.0018 0.0027 -0.0021 3948 LEU 91 O 0.0020 0.0029 -0.0018 3949 LEU 91 CB 0.0036 0.0008 -0.0041 3950 LEU 91 CG 0.0038 -0.0001 -0.0052 3951 LEU 91 CD1 0.0058 0.0001 -0.0046 3952 LEU 91 CD2 0.0036 -0.0014 -0.0069 3953 HIS 92 N -0.0002 0.0025 -0.0026 3954 HIS 92 CA -0.0017 0.0027 -0.0027 3955 HIS 92 C -0.0021 0.0043 -0.0007 3956 HIS 92 O -0.0026 0.0045 -0.0005 3957 HIS 92 CB -0.0035 0.0026 -0.0031 3958 HIS 92 CG -0.0039 0.0012 -0.0050 3959 HIS 92 ND1 -0.0027 0.0003 -0.0059 3960 HIS 92 CD2 -0.0048 0.0004 -0.0062 3961 HIS 92 CE1 -0.0034 -0.0008 -0.0074 3962 HIS 92 NE2 -0.0043 -0.0009 -0.0078 3963 CYS 93 N -0.0014 0.0050 0.0003 3964 CYS 93 CA -0.0014 0.0064 0.0021 3965 CYS 93 C 0.0004 0.0066 0.0026 3966 CYS 93 O -0.0001 0.0070 0.0032 3967 CYS 93 CB -0.0016 0.0069 0.0028 3968 CYS 93 SG -0.0016 0.0087 0.0051 3969 ASP 94 N 0.0028 0.0083 0.0043 3970 ASP 94 CA 0.0066 0.0102 0.0064 3971 ASP 94 C 0.0075 0.0087 0.0048 3972 ASP 94 O 0.0089 0.0100 0.0062 3973 ASP 94 CB 0.0098 0.0099 0.0060 3974 ASP 94 CG 0.0098 0.0120 0.0083 3975 ASP 94 OD1 0.0069 0.0130 0.0093 3976 ASP 94 OD2 0.0128 0.0104 0.0067 3977 LYS 95 N 0.0073 0.0060 0.0019 3978 LYS 95 CA 0.0086 0.0044 0.0003 3979 LYS 95 C 0.0054 0.0041 -0.0001 3980 LYS 95 O 0.0047 0.0044 0.0002 3981 LYS 95 CB 0.0112 0.0018 -0.0025 3982 LYS 95 CG 0.0145 0.0019 -0.0022 3983 LYS 95 CD 0.0181 0.0049 0.0009 3984 LYS 95 CE 0.0219 0.0062 0.0023 3985 LYS 95 NZ 0.0236 0.0086 0.0049 3986 LEU 96 N 0.0012 0.0027 -0.0015 3987 LEU 96 CA -0.0021 0.0018 -0.0026 3988 LEU 96 C -0.0055 0.0042 -0.0000 3989 LEU 96 O -0.0078 0.0036 -0.0007 3990 LEU 96 CB -0.0036 -0.0010 -0.0055 3991 LEU 96 CG -0.0007 -0.0035 -0.0081 3992 LEU 96 CD1 -0.0029 -0.0061 -0.0109 3993 LEU 96 CD2 0.0010 -0.0043 -0.0089 3994 HIS 97 N -0.0060 0.0050 -0.0012 3995 HIS 97 CA -0.0058 0.0050 -0.0017 3996 HIS 97 C -0.0051 0.0040 -0.0005 3997 HIS 97 O -0.0054 0.0040 0.0001 3998 HIS 97 CB -0.0069 0.0060 -0.0018 3999 HIS 97 CG -0.0076 0.0071 -0.0030 4000 HIS 97 ND1 -0.0070 0.0070 -0.0044 4001 HIS 97 CD2 -0.0088 0.0078 -0.0024 4002 HIS 97 CE1 -0.0079 0.0081 -0.0053 4003 HIS 97 NE2 -0.0088 0.0084 -0.0041 4004 VAL 98 N -0.0042 0.0030 0.0001 4005 VAL 98 CA -0.0037 0.0022 0.0013 4006 VAL 98 C -0.0024 0.0013 0.0006 4007 VAL 98 O -0.0016 0.0009 -0.0003 4008 VAL 98 CB -0.0032 0.0014 0.0022 4009 VAL 98 CG1 -0.0024 0.0004 0.0033 4010 VAL 98 CG2 -0.0046 0.0023 0.0031 4011 ASP 99 N -0.0024 0.0011 0.0009 4012 ASP 99 CA -0.0011 0.0003 0.0003 4013 ASP 99 C -0.0002 -0.0008 0.0009 4014 ASP 99 O -0.0004 -0.0011 0.0025 4015 ASP 99 CB -0.0014 0.0003 0.0010 4016 ASP 99 CG -0.0003 -0.0006 0.0006 4017 ASP 99 OD1 -0.0007 -0.0003 0.0011 4018 ASP 99 OD2 0.0007 -0.0011 -0.0003 4019 PRO 100 N -0.0018 -0.0004 0.0019 4020 PRO 100 CA -0.0014 -0.0004 0.0022 4021 PRO 100 C -0.0007 -0.0004 0.0026 4022 PRO 100 O -0.0004 -0.0003 0.0030 4023 PRO 100 CB -0.0015 -0.0005 0.0018 4024 PRO 100 CG -0.0016 -0.0007 0.0011 4025 PRO 100 CD -0.0020 -0.0006 0.0012 4026 GLU 101 N -0.0004 -0.0006 0.0023 4027 GLU 101 CA 0.0002 -0.0006 0.0027 4028 GLU 101 C 0.0002 -0.0003 0.0034 4029 GLU 101 O 0.0006 -0.0003 0.0039 4030 GLU 101 CB 0.0004 -0.0009 0.0023 4031 GLU 101 CG 0.0011 -0.0009 0.0028 4032 GLU 101 CD 0.0020 -0.0011 0.0028 4033 GLU 101 OE1 0.0018 -0.0013 0.0022 4034 GLU 101 OE2 0.0023 -0.0010 0.0033 4035 ASN 102 N -0.0005 -0.0001 0.0036 4036 ASN 102 CA -0.0007 0.0003 0.0043 4037 ASN 102 C -0.0006 0.0004 0.0047 4038 ASN 102 O -0.0003 0.0006 0.0054 4039 ASN 102 CB -0.0014 0.0005 0.0043 4040 ASN 102 CG -0.0015 0.0004 0.0041 4041 ASN 102 OD1 -0.0013 0.0005 0.0044 4042 ASN 102 ND2 -0.0019 0.0003 0.0035 4043 PHE 103 N -0.0036 -0.0003 0.0004 4044 PHE 103 CA -0.0045 -0.0000 -0.0004 4045 PHE 103 C -0.0045 -0.0006 -0.0002 4046 PHE 103 O -0.0047 -0.0001 -0.0006 4047 PHE 103 CB -0.0054 -0.0004 -0.0010 4048 PHE 103 CG -0.0053 0.0001 -0.0011 4049 PHE 103 CD1 -0.0047 0.0012 -0.0013 4050 PHE 103 CD2 -0.0058 -0.0006 -0.0013 4051 PHE 103 CE1 -0.0047 0.0017 -0.0015 4052 PHE 103 CE2 -0.0057 -0.0001 -0.0015 4053 PHE 103 CZ -0.0051 0.0010 -0.0015 4054 ARG 104 N -0.0044 -0.0016 0.0004 4055 ARG 104 CA -0.0045 -0.0022 0.0007 4056 ARG 104 C -0.0036 -0.0016 0.0011 4057 ARG 104 O -0.0038 -0.0015 0.0009 4058 ARG 104 CB -0.0046 -0.0035 0.0013 4059 ARG 104 CG -0.0054 -0.0039 0.0008 4060 ARG 104 CD -0.0055 -0.0052 0.0014 4061 ARG 104 NE -0.0067 -0.0053 0.0004 4062 ARG 104 CZ -0.0065 -0.0070 0.0014 4063 ARG 104 NH1 -0.0056 -0.0069 0.0021 4064 ARG 104 NH2 -0.0072 -0.0074 0.0010 4065 LEU 105 N -0.0028 -0.0013 0.0017 4066 LEU 105 CA -0.0020 -0.0008 0.0021 4067 LEU 105 C -0.0020 0.0003 0.0015 4068 LEU 105 O -0.0019 0.0005 0.0015 4069 LEU 105 CB -0.0012 -0.0006 0.0027 4070 LEU 105 CG -0.0008 -0.0015 0.0035 4071 LEU 105 CD1 0.0000 -0.0014 0.0041 4072 LEU 105 CD2 -0.0008 -0.0023 0.0039 4073 LEU 106 N -0.0051 0.0014 -0.0005 4074 LEU 106 CA -0.0052 0.0022 -0.0005 4075 LEU 106 C -0.0052 0.0014 -0.0008 4076 LEU 106 O -0.0051 0.0016 -0.0004 4077 LEU 106 CB -0.0058 0.0031 -0.0014 4078 LEU 106 CG -0.0059 0.0039 -0.0014 4079 LEU 106 CD1 -0.0056 0.0046 -0.0003 4080 LEU 106 CD2 -0.0064 0.0046 -0.0023 4081 GLY 107 N -0.0054 0.0006 -0.0016 4082 GLY 107 CA -0.0054 -0.0003 -0.0020 4083 GLY 107 C -0.0049 -0.0009 -0.0010 4084 GLY 107 O -0.0048 -0.0010 -0.0008 4085 ASN 108 N -0.0045 -0.0013 -0.0003 4086 ASN 108 CA -0.0040 -0.0019 0.0006 4087 ASN 108 C -0.0038 -0.0011 0.0015 4088 ASN 108 O -0.0035 -0.0014 0.0021 4089 ASN 108 CB -0.0037 -0.0026 0.0012 4090 ASN 108 CG -0.0038 -0.0039 0.0003 4091 ASN 108 OD1 -0.0039 -0.0043 -0.0003 4092 ASN 108 ND2 -0.0035 -0.0042 0.0008 4093 VAL 109 N -0.0027 -0.0009 -0.0033 4094 VAL 109 CA -0.0026 0.0002 -0.0023 4095 VAL 109 C -0.0031 0.0012 -0.0020 4096 VAL 109 O -0.0024 0.0017 -0.0011 4097 VAL 109 CB -0.0032 0.0009 -0.0023 4098 VAL 109 CG1 -0.0032 0.0022 -0.0013 4099 VAL 109 CG2 -0.0024 0.0001 -0.0023 4100 LEU 110 N -0.0042 0.0012 -0.0029 4101 LEU 110 CA -0.0047 0.0020 -0.0027 4102 LEU 110 C -0.0038 0.0018 -0.0021 4103 LEU 110 O -0.0036 0.0024 -0.0015 4104 LEU 110 CB -0.0058 0.0021 -0.0036 4105 LEU 110 CG -0.0065 0.0027 -0.0036 4106 LEU 110 CD1 -0.0067 0.0041 -0.0027 4107 LEU 110 CD2 -0.0077 0.0026 -0.0047 4108 VAL 111 N -0.0031 0.0004 -0.0027 4109 VAL 111 CA -0.0022 -0.0001 -0.0023 4110 VAL 111 C -0.0011 0.0004 -0.0011 4111 VAL 111 O -0.0007 0.0008 -0.0004 4112 VAL 111 CB -0.0018 -0.0015 -0.0030 4113 VAL 111 CG1 -0.0007 -0.0020 -0.0025 4114 VAL 111 CG2 -0.0029 -0.0018 -0.0042 4115 CYS 112 N -0.0008 0.0008 -0.0014 4116 CYS 112 CA -0.0003 0.0011 -0.0005 4117 CYS 112 C -0.0001 0.0020 -0.0007 4118 CYS 112 O -0.0000 0.0020 -0.0004 4119 CYS 112 CB 0.0003 0.0014 0.0006 4120 CYS 112 SG 0.0003 -0.0001 0.0013 4121 VAL 113 N -0.0002 0.0030 -0.0014 4122 VAL 113 CA -0.0001 0.0042 -0.0017 4123 VAL 113 C -0.0005 0.0040 -0.0026 4124 VAL 113 O -0.0004 0.0043 -0.0024 4125 VAL 113 CB -0.0001 0.0053 -0.0023 4126 VAL 113 CG1 -0.0001 0.0063 -0.0028 4127 VAL 113 CG2 0.0005 0.0059 -0.0012 4128 LEU 114 N -0.0011 0.0033 -0.0034 4129 LEU 114 CA -0.0016 0.0029 -0.0043 4130 LEU 114 C -0.0014 0.0022 -0.0036 4131 LEU 114 O -0.0014 0.0023 -0.0037 4132 LEU 114 CB -0.0021 0.0022 -0.0052 4133 LEU 114 CG -0.0023 0.0030 -0.0060 4134 LEU 114 CD1 -0.0029 0.0022 -0.0069 4135 LEU 114 CD2 -0.0024 0.0041 -0.0067 4136 ALA 115 N -0.0015 -0.0010 -0.0005 4137 ALA 115 CA -0.0020 -0.0020 0.0002 4138 ALA 115 C -0.0006 -0.0006 0.0002 4139 ALA 115 O -0.0011 -0.0007 -0.0004 4140 ALA 115 CB -0.0023 -0.0037 0.0024 4141 HIS 116 N 0.0012 0.0004 0.0013 4142 HIS 116 CA 0.0028 0.0018 0.0014 4143 HIS 116 C 0.0027 0.0032 -0.0008 4144 HIS 116 O 0.0030 0.0038 -0.0013 4145 HIS 116 CB 0.0046 0.0027 0.0027 4146 HIS 116 CG 0.0062 0.0040 0.0031 4147 HIS 116 ND1 0.0075 0.0055 0.0027 4148 HIS 116 CD2 0.0063 0.0035 0.0040 4149 HIS 116 CE1 0.0090 0.0064 0.0035 4150 HIS 116 NE2 0.0081 0.0050 0.0041 4151 HIS 117 N 0.0024 0.0038 -0.0022 4152 HIS 117 CA 0.0024 0.0053 -0.0043 4153 HIS 117 C 0.0007 0.0045 -0.0056 4154 HIS 117 O 0.0007 0.0054 -0.0070 4155 HIS 117 CB 0.0027 0.0061 -0.0052 4156 HIS 117 CG 0.0028 0.0074 -0.0070 4157 HIS 117 ND1 0.0049 0.0094 -0.0070 4158 HIS 117 CD2 0.0018 0.0081 -0.0095 4159 HIS 117 CE1 0.0041 0.0104 -0.0097 4160 HIS 117 NE2 0.0028 0.0097 -0.0105 4161 PHE 118 N -0.0032 0.0058 -0.0011 4162 PHE 118 CA -0.0010 0.0022 -0.0017 4163 PHE 118 C -0.0011 -0.0005 0.0004 4164 PHE 118 O 0.0005 -0.0038 0.0004 4165 PHE 118 CB 0.0011 0.0022 -0.0053 4166 PHE 118 CG 0.0012 0.0046 -0.0073 4167 PHE 118 CD1 0.0011 0.0077 -0.0095 4168 PHE 118 CD2 0.0019 0.0027 -0.0069 4169 PHE 118 CE1 0.0011 0.0100 -0.0113 4170 PHE 118 CE2 0.0019 0.0051 -0.0088 4171 PHE 118 CZ 0.0011 0.0085 -0.0102 4172 GLY 119 N -0.0023 0.0001 0.0020 4173 GLY 119 CA -0.0025 -0.0026 0.0044 4174 GLY 119 C 0.0001 -0.0049 0.0020 4175 GLY 119 O 0.0015 -0.0043 -0.0007 4176 LYS 120 N 0.0008 -0.0086 0.0036 4177 LYS 120 CA 0.0028 -0.0111 0.0024 4178 LYS 120 C 0.0048 -0.0118 -0.0004 4179 LYS 120 O 0.0067 -0.0129 -0.0026 4180 LYS 120 CB 0.0026 -0.0146 0.0055 4181 LYS 120 CG 0.0041 -0.0165 0.0046 4182 LYS 120 CD 0.0051 -0.0205 0.0060 4183 LYS 120 CE 0.0047 -0.0203 0.0065 4184 LYS 120 NZ 0.0073 -0.0259 0.0067 4185 GLU 121 N 0.0029 -0.0055 -0.0006 4186 GLU 121 CA 0.0031 -0.0056 -0.0021 4187 GLU 121 C 0.0032 -0.0050 -0.0027 4188 GLU 121 O 0.0033 -0.0055 -0.0041 4189 GLU 121 CB 0.0035 -0.0042 -0.0033 4190 GLU 121 CG 0.0036 -0.0043 -0.0047 4191 GLU 121 CD 0.0040 -0.0034 -0.0061 4192 GLU 121 OE1 0.0042 -0.0028 -0.0074 4193 GLU 121 OE2 0.0040 -0.0022 -0.0051 4194 PHE 122 N 0.0032 -0.0042 -0.0015 4195 PHE 122 CA 0.0033 -0.0037 -0.0019 4196 PHE 122 C 0.0030 -0.0052 -0.0012 4197 PHE 122 O 0.0028 -0.0051 0.0002 4198 PHE 122 CB 0.0034 -0.0023 -0.0008 4199 PHE 122 CG 0.0037 -0.0012 -0.0013 4200 PHE 122 CD1 0.0040 -0.0006 -0.0027 4201 PHE 122 CD2 0.0036 -0.0011 -0.0003 4202 PHE 122 CE1 0.0042 0.0003 -0.0033 4203 PHE 122 CE2 0.0037 -0.0004 -0.0007 4204 PHE 122 CZ 0.0041 0.0002 -0.0022 4205 THR 123 N 0.0029 -0.0064 -0.0022 4206 THR 123 CA 0.0026 -0.0080 -0.0015 4207 THR 123 C 0.0026 -0.0077 -0.0017 4208 THR 123 O 0.0029 -0.0067 -0.0024 4209 THR 123 CB 0.0025 -0.0094 -0.0028 4210 THR 123 OG1 0.0028 -0.0091 -0.0044 4211 THR 123 CG2 0.0025 -0.0097 -0.0028 4212 PRO 124 N 0.0024 -0.0039 0.0022 4213 PRO 124 CA 0.0026 -0.0031 0.0023 4214 PRO 124 C 0.0035 -0.0028 0.0015 4215 PRO 124 O 0.0039 -0.0018 0.0015 4216 PRO 124 CB 0.0018 -0.0036 0.0029 4217 PRO 124 CG 0.0010 -0.0043 0.0034 4218 PRO 124 CD 0.0015 -0.0049 0.0027 4219 PRO 125 N 0.0040 -0.0037 0.0007 4220 PRO 125 CA 0.0049 -0.0034 -0.0000 4221 PRO 125 C 0.0057 -0.0026 -0.0005 4222 PRO 125 O 0.0063 -0.0018 -0.0009 4223 PRO 125 CB 0.0051 -0.0046 -0.0007 4224 PRO 125 CG 0.0043 -0.0054 -0.0001 4225 PRO 125 CD 0.0036 -0.0052 0.0006 4226 VAL 126 N 0.0055 -0.0029 -0.0004 4227 VAL 126 CA 0.0061 -0.0021 -0.0008 4228 VAL 126 C 0.0061 -0.0006 -0.0002 4229 VAL 126 O 0.0067 0.0001 -0.0006 4230 VAL 126 CB 0.0058 -0.0028 -0.0007 4231 VAL 126 CG1 0.0065 -0.0020 -0.0010 4232 VAL 126 CG2 0.0061 -0.0039 -0.0014 4233 GLN 127 N 0.0035 -0.0041 0.0013 4234 GLN 127 CA 0.0032 -0.0035 0.0011 4235 GLN 127 C 0.0037 -0.0028 0.0011 4236 GLN 127 O 0.0038 -0.0025 0.0010 4237 GLN 127 CB 0.0023 -0.0034 0.0008 4238 GLN 127 CG 0.0019 -0.0027 0.0006 4239 GLN 127 CD 0.0013 -0.0023 0.0003 4240 GLN 127 OE1 0.0009 -0.0026 0.0003 4241 GLN 127 NE2 0.0010 -0.0018 0.0001 4242 ALA 128 N 0.0041 -0.0024 0.0011 4243 ALA 128 CA 0.0046 -0.0017 0.0010 4244 ALA 128 C 0.0053 -0.0018 0.0012 4245 ALA 128 O 0.0054 -0.0013 0.0012 4246 ALA 128 CB 0.0049 -0.0014 0.0011 4247 ALA 129 N 0.0055 -0.0025 0.0015 4248 ALA 129 CA 0.0062 -0.0027 0.0017 4249 ALA 129 C 0.0059 -0.0027 0.0016 4250 ALA 129 O 0.0063 -0.0024 0.0017 4251 ALA 129 CB 0.0066 -0.0035 0.0020 4252 TYR 130 N 0.0025 -0.0021 -0.0001 4253 TYR 130 CA 0.0028 -0.0019 -0.0000 4254 TYR 130 C 0.0031 -0.0028 0.0002 4255 TYR 130 O 0.0030 -0.0029 0.0002 4256 TYR 130 CB 0.0036 -0.0013 0.0001 4257 TYR 130 CG 0.0033 -0.0004 -0.0001 4258 TYR 130 CD1 0.0031 -0.0000 -0.0003 4259 TYR 130 CD2 0.0030 0.0002 -0.0003 4260 TYR 130 CE1 0.0027 0.0008 -0.0006 4261 TYR 130 CE2 0.0027 0.0010 -0.0006 4262 TYR 130 CZ 0.0025 0.0013 -0.0007 4263 TYR 130 OH 0.0022 0.0021 -0.0010 4264 GLN 131 N 0.0034 -0.0034 0.0004 4265 GLN 131 CA 0.0036 -0.0042 0.0006 4266 GLN 131 C 0.0029 -0.0047 0.0005 4267 GLN 131 O 0.0028 -0.0051 0.0005 4268 GLN 131 CB 0.0041 -0.0048 0.0010 4269 GLN 131 CG 0.0048 -0.0045 0.0012 4270 GLN 131 CD 0.0057 -0.0046 0.0015 4271 GLN 131 OE1 0.0063 -0.0042 0.0017 4272 GLN 131 NE2 0.0056 -0.0049 0.0015 4273 LYS 132 N 0.0021 -0.0047 0.0002 4274 LYS 132 CA 0.0013 -0.0052 -0.0000 4275 LYS 132 C 0.0011 -0.0047 -0.0002 4276 LYS 132 O 0.0008 -0.0051 -0.0002 4277 LYS 132 CB 0.0007 -0.0051 -0.0003 4278 LYS 132 CG 0.0007 -0.0058 -0.0002 4279 LYS 132 CD -0.0000 -0.0056 -0.0005 4280 LYS 132 CE 0.0005 -0.0058 -0.0002 4281 LYS 132 NZ -0.0010 -0.0060 -0.0008 4282 VAL 133 N 0.0018 -0.0037 0.0023 4283 VAL 133 CA 0.0008 -0.0042 0.0029 4284 VAL 133 C -0.0005 -0.0043 0.0019 4285 VAL 133 O -0.0012 -0.0043 0.0015 4286 VAL 133 CB 0.0006 -0.0047 0.0044 4287 VAL 133 CG1 -0.0008 -0.0052 0.0047 4288 VAL 133 CG2 0.0019 -0.0046 0.0052 4289 VAL 134 N -0.0010 -0.0043 0.0017 4290 VAL 134 CA -0.0023 -0.0044 0.0009 4291 VAL 134 C -0.0023 -0.0039 -0.0007 4292 VAL 134 O -0.0032 -0.0040 -0.0011 4293 VAL 134 CB -0.0030 -0.0046 0.0010 4294 VAL 134 CG1 -0.0031 -0.0051 0.0023 4295 VAL 134 CG2 -0.0022 -0.0041 0.0002 4296 ALA 135 N -0.0012 -0.0034 -0.0011 4297 ALA 135 CA -0.0009 -0.0029 -0.0025 4298 ALA 135 C -0.0010 -0.0030 -0.0024 4299 ALA 135 O -0.0015 -0.0028 -0.0032 4300 ALA 135 CB 0.0004 -0.0024 -0.0029 4301 GLY 136 N -0.0028 -0.0051 -0.0008 4302 GLY 136 CA -0.0024 -0.0051 -0.0012 4303 GLY 136 C -0.0036 -0.0045 -0.0014 4304 GLY 136 O -0.0038 -0.0038 -0.0023 4305 VAL 137 N -0.0045 -0.0048 -0.0003 4306 VAL 137 CA -0.0057 -0.0044 -0.0002 4307 VAL 137 C -0.0068 -0.0036 -0.0008 4308 VAL 137 O -0.0072 -0.0029 -0.0016 4309 VAL 137 CB -0.0066 -0.0051 0.0013 4310 VAL 137 CG1 -0.0081 -0.0045 0.0014 4311 VAL 137 CG2 -0.0056 -0.0059 0.0019 4312 ALA 138 N -0.0070 -0.0034 -0.0010 4313 ALA 138 CA -0.0079 -0.0025 -0.0018 4314 ALA 138 C -0.0074 -0.0018 -0.0031 4315 ALA 138 O -0.0080 -0.0011 -0.0038 4316 ALA 138 CB -0.0080 -0.0025 -0.0017 4317 ASN 139 N -0.0077 -0.0024 -0.0016 4318 ASN 139 CA -0.0073 -0.0019 -0.0020 4319 ASN 139 C -0.0066 -0.0013 -0.0028 4320 ASN 139 O -0.0062 -0.0004 -0.0032 4321 ASN 139 CB -0.0071 -0.0026 -0.0024 4322 ASN 139 CG -0.0072 -0.0028 -0.0022 4323 ASN 139 OD1 -0.0064 -0.0021 -0.0031 4324 ASN 139 ND2 -0.0081 -0.0025 -0.0012 4325 ALA 140 N -0.0062 -0.0020 -0.0032 4326 ALA 140 CA -0.0055 -0.0016 -0.0040 4327 ALA 140 C -0.0057 -0.0005 -0.0037 4328 ALA 140 O -0.0052 0.0003 -0.0042 4329 ALA 140 CB -0.0053 -0.0024 -0.0043 4330 LEU 141 N -0.0063 -0.0004 -0.0030 4331 LEU 141 CA -0.0065 0.0006 -0.0027 4332 LEU 141 C -0.0066 0.0016 -0.0025 4333 LEU 141 O -0.0066 0.0026 -0.0024 4334 LEU 141 CB -0.0072 0.0003 -0.0020 4335 LEU 141 CG -0.0070 -0.0003 -0.0022 4336 LEU 141 CD1 -0.0077 -0.0001 -0.0014 4337 LEU 141 CD2 -0.0065 0.0008 -0.0027 4338 ALA 142 N -0.0076 0.0025 -0.0004 4339 ALA 142 CA -0.0077 0.0043 0.0005 4340 ALA 142 C -0.0063 0.0053 0.0005 4341 ALA 142 O -0.0063 0.0069 0.0013 4342 ALA 142 CB -0.0096 0.0042 0.0012 4343 HIS 143 N -0.0051 0.0045 -0.0004 4344 HIS 143 CA -0.0037 0.0052 -0.0006 4345 HIS 143 C -0.0024 0.0069 -0.0003 4346 HIS 143 O -0.0021 0.0079 0.0001 4347 HIS 143 CB -0.0030 0.0037 -0.0016 4348 HIS 143 CG -0.0017 0.0043 -0.0018 4349 HIS 143 ND1 -0.0001 0.0043 -0.0025 4350 HIS 143 CD2 -0.0028 0.0049 -0.0011 4351 HIS 143 CE1 0.0003 0.0053 -0.0021 4352 HIS 143 NE2 -0.0013 0.0051 -0.0016 4353 LYS 144 N -0.0018 0.0069 -0.0005 4354 LYS 144 CA -0.0004 0.0082 -0.0004 4355 LYS 144 C -0.0010 0.0098 0.0006 4356 LYS 144 O -0.0000 0.0109 0.0008 4357 LYS 144 CB 0.0012 0.0078 -0.0012 4358 LYS 144 CG 0.0022 0.0062 -0.0024 4359 LYS 144 CD 0.0037 0.0070 -0.0026 4360 LYS 144 CE 0.0048 0.0065 -0.0033 4361 LYS 144 NZ 0.0077 0.0073 -0.0041 4362 TYR 145 N -0.0015 0.0085 0.0068 4363 TYR 145 CA -0.0018 0.0088 0.0066 4364 TYR 145 C -0.0016 0.0101 0.0082 4365 TYR 145 O -0.0019 0.0113 0.0090 4366 TYR 145 CB -0.0035 0.0092 0.0051 4367 TYR 145 CG -0.0037 0.0077 0.0034 4368 TYR 145 CD1 -0.0039 0.0070 0.0024 4369 TYR 145 CD2 -0.0034 0.0068 0.0028 4370 TYR 145 CE1 -0.0041 0.0056 0.0009 4371 TYR 145 CE2 -0.0036 0.0053 0.0011 4372 TYR 145 CZ -0.0038 0.0048 0.0003 4373 TYR 145 OH -0.0040 0.0034 -0.0013 4374 HIS 146 N -0.0009 0.0097 0.0086 4375 HIS 146 CA -0.0006 0.0110 0.0102 4376 HIS 146 C -0.0004 0.0103 0.0098 4377 HIS 146 O -0.0007 0.0094 0.0085 4378 HIS 146 CB 0.0012 0.0104 0.0117 4379 HIS 146 CG 0.0021 0.0086 0.0110 4380 HIS 146 ND1 0.0036 0.0079 0.0120 4381 HIS 146 CD2 0.0025 0.0072 0.0100 4382 HIS 146 CE1 0.0041 0.0070 0.0118 4383 HIS 146 NE2 0.0039 0.0055 0.0100 4384 HIS 146 OXT -0.0003 0.0115 0.0111