1 ASP 28 N 0.0061 0.0061 -0.0486 2 ASP 28 CA 0.0011 0.0108 -0.0357 3 ASP 28 C 0.0017 0.0005 -0.0258 4 ASP 28 O 0.0042 -0.0054 -0.0279 5 ASP 28 CB -0.0030 0.0229 -0.0354 6 ASP 28 CG -0.0083 0.0284 -0.0224 7 ASP 28 OD1 -0.0109 0.0329 -0.0184 8 ASP 28 OD2 -0.0101 0.0289 -0.0164 9 ASP 28 H 0.0058 0.0131 -0.0556 10 ASP 28 HA -0.0002 0.0131 -0.0336 11 ASP 28 HB2 -0.0034 0.0301 -0.0424 12 ASP 28 HB3 -0.0015 0.0205 -0.0377 13 PRO 29 N 0.0016 -0.0095 -0.0101 14 PRO 29 CA 0.0019 -0.0182 -0.0011 15 PRO 29 C -0.0066 -0.0094 -0.0025 16 PRO 29 O -0.0191 0.0009 -0.0017 17 PRO 29 CB -0.0059 -0.0257 0.0145 18 PRO 29 CG -0.0059 -0.0244 0.0130 19 PRO 29 CD -0.0059 -0.0111 -0.0013 20 PRO 29 HA 0.0131 -0.0256 -0.0037 21 PRO 29 HB2 -0.0170 -0.0208 0.0197 22 PRO 29 HB3 0.0001 -0.0365 0.0204 23 PRO 29 HG2 -0.0157 -0.0239 0.0218 24 PRO 29 HG3 0.0040 -0.0332 0.0131 25 PRO 29 HD2 -0.0171 -0.0025 0.0001 26 PRO 29 HD3 0.0004 -0.0124 -0.0059 27 ASN 30 N -0.0062 0.0011 -0.0126 28 ASN 30 CA -0.0086 0.0040 -0.0142 29 ASN 30 C -0.0070 0.0044 -0.0120 30 ASN 30 O -0.0071 0.0018 -0.0134 31 ASN 30 CB -0.0117 0.0022 -0.0187 32 ASN 30 CG -0.0143 0.0050 -0.0207 33 ASN 30 OD1 -0.0166 0.0086 -0.0220 34 ASN 30 ND2 -0.0141 0.0033 -0.0212 35 ASN 30 H -0.0061 0.0025 -0.0119 36 ASN 30 HA -0.0095 0.0077 -0.0136 37 ASN 30 HB2 -0.0128 0.0025 -0.0200 38 ASN 30 HB3 -0.0106 -0.0016 -0.0191 39 ASN 30 HD21 -0.0122 0.0003 -0.0203 40 ASN 30 HD22 -0.0158 0.0051 -0.0225 41 ALA 31 N -0.0074 0.0073 -0.0057 42 ALA 31 CA -0.0061 0.0074 -0.0034 43 ALA 31 C -0.0073 0.0082 -0.0015 44 ALA 31 O -0.0068 0.0082 -0.0012 45 ALA 31 CB -0.0036 0.0065 -0.0035 46 ALA 31 H -0.0086 0.0077 -0.0058 47 ALA 31 HA -0.0061 0.0075 -0.0030 48 ALA 31 HB1 -0.0027 0.0066 -0.0018 49 ALA 31 HB2 -0.0036 0.0064 -0.0039 50 ALA 31 HB3 -0.0028 0.0060 -0.0049 51 GLU 32 N -0.0057 0.0132 0.0009 52 GLU 32 CA -0.0069 0.0153 0.0044 53 GLU 32 C -0.0062 0.0119 0.0068 54 GLU 32 O -0.0069 0.0125 0.0105 55 GLU 32 CB -0.0078 0.0190 0.0022 56 GLU 32 CG -0.0068 0.0175 -0.0013 57 GLU 32 CD -0.0078 0.0213 -0.0032 58 GLU 32 OE1 -0.0084 0.0223 -0.0012 59 GLU 32 OE2 -0.0080 0.0234 -0.0067 60 GLU 32 H -0.0054 0.0135 -0.0022 61 GLU 32 HA -0.0077 0.0166 0.0067 62 GLU 32 HB2 -0.0087 0.0205 0.0049 63 GLU 32 HB3 -0.0083 0.0213 0.0005 64 GLU 32 HG2 -0.0060 0.0161 -0.0041 65 GLU 32 HG3 -0.0063 0.0151 0.0003 66 PHE 33 N -0.0043 0.0080 0.0064 67 PHE 33 CA -0.0031 0.0061 0.0079 68 PHE 33 C -0.0019 0.0045 0.0083 69 PHE 33 O -0.0019 0.0048 0.0071 70 PHE 33 CB -0.0022 0.0053 0.0065 71 PHE 33 CG -0.0013 0.0051 0.0037 72 PHE 33 CD1 0.0003 0.0034 0.0031 73 PHE 33 CD2 -0.0021 0.0066 0.0017 74 PHE 33 CE1 0.0010 0.0032 0.0006 75 PHE 33 CE2 -0.0014 0.0065 -0.0008 76 PHE 33 CZ 0.0002 0.0047 -0.0013 77 PHE 33 H -0.0040 0.0080 0.0046 78 PHE 33 HA -0.0039 0.0064 0.0097 79 PHE 33 HB2 -0.0012 0.0039 0.0074 80 PHE 33 HB3 -0.0030 0.0064 0.0064 81 PHE 33 HD1 0.0009 0.0022 0.0046 82 PHE 33 HD2 -0.0033 0.0080 0.0022 83 PHE 33 HE1 0.0023 0.0018 0.0002 84 PHE 33 HE2 -0.0020 0.0077 -0.0023 85 PHE 33 HZ 0.0008 0.0046 -0.0033 86 ASP 34 N -0.0020 0.0010 0.0109 87 ASP 34 CA -0.0021 -0.0005 0.0117 88 ASP 34 C -0.0015 -0.0021 0.0103 89 ASP 34 O -0.0012 -0.0026 0.0094 90 ASP 34 CB -0.0026 -0.0013 0.0135 91 ASP 34 CG -0.0028 -0.0027 0.0145 92 ASP 34 OD1 -0.0025 -0.0043 0.0139 93 ASP 34 OD2 -0.0033 -0.0022 0.0158 94 ASP 34 H -0.0020 0.0008 0.0109 95 ASP 34 HA -0.0023 0.0001 0.0119 96 ASP 34 HB2 -0.0030 -0.0001 0.0144 97 ASP 34 HB3 -0.0025 -0.0020 0.0132 98 PRO 35 N 0.0003 0.0010 0.0065 99 PRO 35 CA 0.0024 -0.0003 0.0054 100 PRO 35 C 0.0030 -0.0025 0.0066 101 PRO 35 O 0.0047 -0.0037 0.0059 102 PRO 35 CB 0.0029 0.0010 0.0039 103 PRO 35 CG 0.0012 0.0020 0.0048 104 PRO 35 CD -0.0005 0.0024 0.0062 105 PRO 35 HA 0.0031 -0.0004 0.0048 106 PRO 35 HB2 0.0042 -0.0000 0.0034 107 PRO 35 HB3 0.0031 0.0022 0.0027 108 PRO 35 HG2 0.0013 0.0009 0.0056 109 PRO 35 HG3 0.0011 0.0034 0.0037 110 PRO 35 HD2 -0.0015 0.0020 0.0075 111 PRO 35 HD3 -0.0012 0.0040 0.0055 112 ASP 36 N -0.0038 -0.0079 0.0110 113 ASP 36 CA -0.0045 -0.0105 0.0116 114 ASP 36 C -0.0043 -0.0096 0.0105 115 ASP 36 O -0.0049 -0.0116 0.0094 116 ASP 36 CB -0.0045 -0.0113 0.0152 117 ASP 36 CG -0.0052 -0.0139 0.0160 118 ASP 36 OD1 -0.0060 -0.0166 0.0153 119 ASP 36 OD2 -0.0050 -0.0133 0.0174 120 ASP 36 H -0.0032 -0.0061 0.0125 121 ASP 36 HA -0.0051 -0.0124 0.0103 122 ASP 36 HB2 -0.0047 -0.0121 0.0159 123 ASP 36 HB3 -0.0039 -0.0093 0.0166 124 LEU 37 N -0.0047 -0.0042 0.0124 125 LEU 37 CA -0.0042 -0.0035 0.0108 126 LEU 37 C -0.0043 -0.0031 0.0096 127 LEU 37 O -0.0038 -0.0030 0.0100 128 LEU 37 CB -0.0025 -0.0028 0.0110 129 LEU 37 CG -0.0023 -0.0030 0.0118 130 LEU 37 CD1 -0.0034 -0.0031 0.0107 131 LEU 37 CD2 -0.0027 -0.0038 0.0136 132 LEU 37 H -0.0039 -0.0042 0.0132 133 LEU 37 HA -0.0051 -0.0037 0.0103 134 LEU 37 HB2 -0.0018 -0.0028 0.0118 135 LEU 37 HB3 -0.0021 -0.0023 0.0098 136 LEU 37 HG -0.0011 -0.0025 0.0117 137 LEU 37 HD11 -0.0033 -0.0032 0.0113 138 LEU 37 HD12 -0.0047 -0.0036 0.0107 139 LEU 37 HD13 -0.0031 -0.0025 0.0095 140 LEU 37 HD21 -0.0026 -0.0039 0.0140 141 LEU 37 HD22 -0.0018 -0.0037 0.0143 142 LEU 37 HD23 -0.0039 -0.0043 0.0136 143 PRO 38 N -0.0066 -0.0005 0.0098 144 PRO 38 CA -0.0074 -0.0001 0.0097 145 PRO 38 C -0.0053 -0.0007 0.0094 146 PRO 38 O -0.0033 -0.0006 0.0080 147 PRO 38 CB -0.0085 0.0018 0.0076 148 PRO 38 CG -0.0091 0.0023 0.0073 149 PRO 38 CD -0.0072 0.0009 0.0081 150 PRO 38 HA -0.0088 -0.0005 0.0111 151 PRO 38 HB2 -0.0071 0.0022 0.0062 152 PRO 38 HB3 -0.0102 0.0023 0.0078 153 PRO 38 HG2 -0.0089 0.0034 0.0055 154 PRO 38 HG3 -0.0109 0.0023 0.0082 155 PRO 38 HD2 -0.0055 0.0011 0.0068 156 PRO 38 HD3 -0.0079 0.0007 0.0088 157 GLY 39 N -0.0041 -0.0013 0.0108 158 GLY 39 CA -0.0026 -0.0020 0.0108 159 GLY 39 C -0.0013 -0.0028 0.0115 160 GLY 39 O 0.0001 -0.0033 0.0111 161 GLY 39 H -0.0050 -0.0012 0.0117 162 GLY 39 HA2 -0.0027 -0.0021 0.0114 163 GLY 39 HA3 -0.0021 -0.0017 0.0095 164 GLY 40 N -0.0016 -0.0029 0.0107 165 GLY 40 CA -0.0015 -0.0026 0.0112 166 GLY 40 C -0.0015 -0.0026 0.0114 167 GLY 40 O -0.0013 -0.0023 0.0119 168 GLY 40 H -0.0018 -0.0031 0.0106 169 GLY 40 HA2 -0.0017 -0.0028 0.0114 170 GLY 40 HA3 -0.0012 -0.0024 0.0111 171 GLY 41 N -0.0010 -0.0021 0.0105 172 GLY 41 CA -0.0003 -0.0020 0.0097 173 GLY 41 C 0.0015 -0.0019 0.0091 174 GLY 41 O 0.0024 -0.0018 0.0086 175 GLY 41 H -0.0019 -0.0020 0.0100 176 GLY 41 HA2 -0.0011 -0.0017 0.0087 177 GLY 41 HA3 -0.0003 -0.0022 0.0106 178 LEU 42 N -0.0012 -0.0022 0.0088 179 LEU 42 CA -0.0007 -0.0023 0.0086 180 LEU 42 C -0.0004 -0.0031 0.0081 181 LEU 42 O -0.0000 -0.0033 0.0079 182 LEU 42 CB 0.0002 -0.0017 0.0088 183 LEU 42 CG 0.0001 -0.0008 0.0094 184 LEU 42 CD1 0.0010 -0.0003 0.0095 185 LEU 42 CD2 -0.0005 -0.0004 0.0097 186 LEU 42 H -0.0009 -0.0021 0.0088 187 LEU 42 HA -0.0010 -0.0021 0.0088 188 LEU 42 HB2 0.0006 -0.0019 0.0086 189 LEU 42 HB3 0.0006 -0.0018 0.0087 190 LEU 42 HG -0.0003 -0.0007 0.0095 191 LEU 42 HD11 0.0009 0.0003 0.0099 192 LEU 42 HD12 0.0015 -0.0004 0.0094 193 LEU 42 HD13 0.0014 -0.0006 0.0093 194 LEU 42 HD21 -0.0001 -0.0005 0.0096 195 LEU 42 HD22 -0.0005 0.0002 0.0101 196 LEU 42 HD23 -0.0011 -0.0008 0.0096 197 HIS 43 N 0.0039 -0.0036 0.0056 198 HIS 43 CA 0.0040 -0.0032 0.0033 199 HIS 43 C 0.0026 -0.0020 0.0010 200 HIS 43 O 0.0003 -0.0008 0.0012 201 HIS 43 CB 0.0028 -0.0027 0.0043 202 HIS 43 CG 0.0039 -0.0038 0.0068 203 HIS 43 ND1 0.0060 -0.0049 0.0066 204 HIS 43 CD2 0.0030 -0.0038 0.0096 205 HIS 43 CE1 0.0065 -0.0056 0.0092 206 HIS 43 NE2 0.0047 -0.0050 0.0110 207 HIS 43 H 0.0022 -0.0028 0.0064 208 HIS 43 HA 0.0060 -0.0041 0.0025 209 HIS 43 HB2 0.0008 -0.0017 0.0046 210 HIS 43 HB3 0.0032 -0.0026 0.0025 211 HIS 43 HD1 0.0072 -0.0052 0.0049 212 HIS 43 HD2 0.0013 -0.0031 0.0105 213 HIS 43 HE1 0.0080 -0.0065 0.0096 214 HIS 43 HE2 0.0047 -0.0054 0.0131 215 ARG 44 N 0.0056 -0.0007 -0.0013 216 ARG 44 CA 0.0042 0.0003 -0.0038 217 ARG 44 C 0.0056 0.0003 -0.0071 218 ARG 44 O 0.0082 -0.0008 -0.0076 219 ARG 44 CB 0.0050 -0.0000 -0.0037 220 ARG 44 CG 0.0046 -0.0004 -0.0003 221 ARG 44 CD 0.0057 -0.0009 -0.0005 222 ARG 44 NE 0.0057 -0.0014 0.0027 223 ARG 44 CZ 0.0062 -0.0018 0.0031 224 ARG 44 NH1 0.0069 -0.0016 0.0005 225 ARG 44 NH2 0.0060 -0.0022 0.0060 226 ARG 44 H 0.0079 -0.0018 -0.0013 227 ARG 44 HA 0.0018 0.0014 -0.0036 228 ARG 44 HB2 0.0072 -0.0009 -0.0047 229 ARG 44 HB3 0.0035 0.0009 -0.0052 230 ARG 44 HG2 0.0023 0.0005 0.0005 231 ARG 44 HG3 0.0060 -0.0013 0.0012 232 ARG 44 HD2 0.0080 -0.0018 -0.0016 233 ARG 44 HD3 0.0043 -0.0000 -0.0021 234 ARG 44 HE 0.0052 -0.0015 0.0046 235 ARG 44 HH11 0.0071 -0.0013 -0.0018 236 ARG 44 HH12 0.0074 -0.0019 0.0007 237 ARG 44 HH21 0.0055 -0.0023 0.0081 238 ARG 44 HH22 0.0064 -0.0024 0.0064 239 CYS 45 N 0.0055 0.0013 -0.0098 240 CYS 45 CA 0.0062 0.0016 -0.0116 241 CYS 45 C 0.0067 0.0017 -0.0128 242 CYS 45 O 0.0058 0.0027 -0.0130 243 CYS 45 CB 0.0052 0.0029 -0.0123 244 CYS 45 SG 0.0059 0.0034 -0.0148 245 CYS 45 H 0.0045 0.0021 -0.0094 246 CYS 45 HA 0.0072 0.0006 -0.0116 247 CYS 45 HB2 0.0050 0.0027 -0.0115 248 CYS 45 HB3 0.0041 0.0039 -0.0120 249 LEU 46 N 0.0064 0.0012 -0.0133 250 LEU 46 CA 0.0079 0.0009 -0.0150 251 LEU 46 C 0.0087 0.0031 -0.0160 252 LEU 46 O 0.0096 0.0038 -0.0171 253 LEU 46 CB 0.0087 -0.0009 -0.0157 254 LEU 46 CG 0.0081 -0.0032 -0.0149 255 LEU 46 CD1 0.0089 -0.0050 -0.0156 256 LEU 46 CD2 0.0083 -0.0040 -0.0150 257 LEU 46 H 0.0061 0.0003 -0.0128 258 LEU 46 HA 0.0080 0.0005 -0.0150 259 LEU 46 HB2 0.0086 -0.0005 -0.0157 260 LEU 46 HB3 0.0099 -0.0011 -0.0170 261 LEU 46 HG 0.0070 -0.0031 -0.0136 262 LEU 46 HD11 0.0087 -0.0045 -0.0154 263 LEU 46 HD12 0.0085 -0.0066 -0.0150 264 LEU 46 HD13 0.0100 -0.0050 -0.0170 265 LEU 46 HD21 0.0076 -0.0028 -0.0144 266 LEU 46 HD22 0.0094 -0.0040 -0.0163 267 LEU 46 HD23 0.0079 -0.0056 -0.0144 268 ALA 47 N 0.0074 0.0046 -0.0142 269 ALA 47 CA 0.0086 0.0054 -0.0130 270 ALA 47 C 0.0108 0.0069 -0.0129 271 ALA 47 O 0.0121 0.0078 -0.0125 272 ALA 47 CB 0.0077 0.0050 -0.0105 273 ALA 47 H 0.0064 0.0039 -0.0132 274 ALA 47 HA 0.0085 0.0053 -0.0141 275 ALA 47 HB1 0.0085 0.0056 -0.0098 276 ALA 47 HB2 0.0079 0.0051 -0.0094 277 ALA 47 HB3 0.0061 0.0039 -0.0107 278 CYS 48 N 0.0075 0.0061 -0.0166 279 CYS 48 CA 0.0062 0.0078 -0.0160 280 CYS 48 C 0.0058 0.0082 -0.0152 281 CYS 48 O 0.0048 0.0096 -0.0150 282 CYS 48 CB 0.0056 0.0083 -0.0146 283 CYS 48 SG 0.0057 0.0084 -0.0158 284 CYS 48 H 0.0079 0.0051 -0.0155 285 CYS 48 HA 0.0059 0.0086 -0.0174 286 CYS 48 HB2 0.0059 0.0075 -0.0132 287 CYS 48 HB3 0.0046 0.0096 -0.0142 288 ALA 49 N 0.0052 0.0071 -0.0150 289 ALA 49 CA 0.0049 0.0061 -0.0131 290 ALA 49 C 0.0022 0.0068 -0.0101 291 ALA 49 O 0.0012 0.0069 -0.0087 292 ALA 49 CB 0.0052 0.0073 -0.0152 293 ALA 49 H 0.0068 0.0058 -0.0154 294 ALA 49 HA 0.0066 0.0039 -0.0124 295 ALA 49 HB1 0.0035 0.0095 -0.0160 296 ALA 49 HB2 0.0071 0.0067 -0.0172 297 ALA 49 HB3 0.0051 0.0064 -0.0138 298 ARG 50 N 0.0020 0.0054 -0.0100 299 ARG 50 CA -0.0009 0.0060 -0.0074 300 ARG 50 C -0.0004 0.0036 -0.0046 301 ARG 50 O 0.0018 0.0022 -0.0050 302 ARG 50 CB -0.0030 0.0085 -0.0086 303 ARG 50 CG -0.0040 0.0111 -0.0113 304 ARG 50 CD -0.0061 0.0135 -0.0123 305 ARG 50 NE -0.0069 0.0161 -0.0150 306 ARG 50 CZ -0.0086 0.0184 -0.0165 307 ARG 50 NH1 -0.0097 0.0186 -0.0155 308 ARG 50 NH2 -0.0092 0.0206 -0.0190 309 ARG 50 H 0.0032 0.0053 -0.0113 310 ARG 50 HA -0.0020 0.0063 -0.0066 311 ARG 50 HB2 -0.0019 0.0082 -0.0094 312 ARG 50 HB3 -0.0051 0.0088 -0.0065 313 ARG 50 HG2 -0.0052 0.0115 -0.0104 314 ARG 50 HG3 -0.0019 0.0109 -0.0134 315 ARG 50 HD2 -0.0049 0.0131 -0.0131 316 ARG 50 HD3 -0.0082 0.0138 -0.0102 317 ARG 50 HE -0.0062 0.0159 -0.0156 318 ARG 50 HH11 -0.0093 0.0170 -0.0136 319 ARG 50 HH12 -0.0109 0.0204 -0.0165 320 ARG 50 HH21 -0.0085 0.0206 -0.0198 321 ARG 50 HH22 -0.0104 0.0224 -0.0201 322 TYR 51 N -0.0031 0.0038 -0.0009 323 TYR 51 CA -0.0028 0.0026 0.0009 324 TYR 51 C -0.0047 0.0032 0.0011 325 TYR 51 O -0.0069 0.0039 0.0011 326 TYR 51 CB -0.0033 0.0016 0.0030 327 TYR 51 CG -0.0016 0.0011 0.0028 328 TYR 51 CD1 -0.0023 0.0019 0.0019 329 TYR 51 CD2 0.0006 -0.0001 0.0036 330 TYR 51 CE1 -0.0009 0.0015 0.0018 331 TYR 51 CE2 0.0021 -0.0005 0.0034 332 TYR 51 CZ 0.0014 0.0003 0.0025 333 TYR 51 OH 0.0029 -0.0002 0.0024 334 TYR 51 H -0.0046 0.0042 -0.0007 335 TYR 51 HA -0.0010 0.0021 0.0007 336 TYR 51 HB2 -0.0052 0.0021 0.0032 337 TYR 51 HB3 -0.0030 0.0007 0.0044 338 TYR 51 HD1 -0.0041 0.0028 0.0014 339 TYR 51 HD2 0.0012 -0.0007 0.0043 340 TYR 51 HE1 -0.0014 0.0021 0.0011 341 TYR 51 HE2 0.0039 -0.0015 0.0040 342 TYR 51 HH 0.0018 -0.0001 0.0029 343 PHE 52 N -0.0026 0.0017 0.0010 344 PHE 52 CA -0.0040 0.0022 0.0015 345 PHE 52 C -0.0039 0.0010 0.0043 346 PHE 52 O -0.0020 -0.0004 0.0053 347 PHE 52 CB -0.0028 0.0025 -0.0004 348 PHE 52 CG -0.0028 0.0037 -0.0033 349 PHE 52 CD1 -0.0009 0.0034 -0.0046 350 PHE 52 CD2 -0.0047 0.0052 -0.0046 351 PHE 52 CE1 -0.0008 0.0045 -0.0073 352 PHE 52 CE2 -0.0047 0.0063 -0.0072 353 PHE 52 CZ -0.0028 0.0060 -0.0085 354 PHE 52 H -0.0007 0.0009 0.0010 355 PHE 52 HA -0.0060 0.0032 0.0013 356 PHE 52 HB2 -0.0008 0.0014 -0.0001 357 PHE 52 HB3 -0.0039 0.0028 0.0000 358 PHE 52 HD1 0.0007 0.0022 -0.0037 359 PHE 52 HD2 -0.0063 0.0055 -0.0035 360 PHE 52 HE1 0.0007 0.0043 -0.0083 361 PHE 52 HE2 -0.0062 0.0075 -0.0082 362 PHE 52 HZ -0.0027 0.0069 -0.0106 363 ILE 53 N -0.0073 0.0024 0.0063 364 ILE 53 CA -0.0077 0.0009 0.0101 365 ILE 53 C -0.0051 -0.0010 0.0109 366 ILE 53 O -0.0041 -0.0029 0.0138 367 ILE 53 CB -0.0114 0.0023 0.0117 368 ILE 53 CG1 -0.0121 0.0037 0.0095 369 ILE 53 CG2 -0.0141 0.0039 0.0117 370 ILE 53 CD1 -0.0156 0.0051 0.0109 371 ILE 53 H -0.0092 0.0040 0.0051 372 ILE 53 HA -0.0075 0.0001 0.0116 373 ILE 53 HB -0.0115 0.0011 0.0144 374 ILE 53 HG12 -0.0120 0.0049 0.0067 375 ILE 53 HG13 -0.0102 0.0026 0.0096 376 ILE 53 HG21 -0.0140 0.0050 0.0089 377 ILE 53 HG22 -0.0136 0.0028 0.0134 378 ILE 53 HG23 -0.0166 0.0049 0.0127 379 ILE 53 HD11 -0.0158 0.0040 0.0136 380 ILE 53 HD12 -0.0160 0.0061 0.0092 381 ILE 53 HD13 -0.0176 0.0063 0.0108 382 ASP 54 N -0.0041 -0.0003 0.0080 383 ASP 54 CA -0.0015 -0.0017 0.0084 384 ASP 54 C 0.0007 -0.0017 0.0050 385 ASP 54 O -0.0004 -0.0005 0.0022 386 ASP 54 CB -0.0029 -0.0013 0.0096 387 ASP 54 CG -0.0004 -0.0027 0.0104 388 ASP 54 OD1 0.0007 -0.0040 0.0132 389 ASP 54 OD2 0.0006 -0.0025 0.0080 390 ASP 54 H -0.0049 0.0007 0.0057 391 ASP 54 HA -0.0001 -0.0029 0.0104 392 ASP 54 HB2 -0.0046 -0.0012 0.0120 393 ASP 54 HB3 -0.0043 -0.0001 0.0076 394 SER 55 N 0.0025 -0.0027 0.0047 395 SER 55 CA 0.0047 -0.0029 0.0019 396 SER 55 C 0.0037 -0.0017 -0.0004 397 SER 55 O 0.0043 -0.0011 -0.0032 398 SER 55 CB 0.0078 -0.0045 0.0030 399 SER 55 OG 0.0101 -0.0047 0.0004 400 SER 55 H 0.0031 -0.0036 0.0067 401 SER 55 HA 0.0050 -0.0026 0.0007 402 SER 55 HB2 0.0086 -0.0052 0.0044 403 SER 55 HB3 0.0076 -0.0049 0.0045 404 SER 55 HG 0.0101 -0.0045 -0.0002 405 THR 56 N 0.0032 -0.0010 -0.0000 406 THR 56 CA 0.0022 -0.0004 -0.0023 407 THR 56 C -0.0002 0.0005 -0.0041 408 THR 56 O -0.0002 0.0010 -0.0069 409 THR 56 CB 0.0010 -0.0004 -0.0009 410 THR 56 OG1 0.0032 -0.0012 0.0011 411 THR 56 CG2 0.0004 0.0002 -0.0032 412 THR 56 H 0.0029 -0.0014 0.0021 413 THR 56 HA 0.0041 -0.0005 -0.0038 414 THR 56 HB -0.0010 -0.0002 0.0003 415 THR 56 HG1 0.0029 -0.0015 0.0030 416 THR 56 HG21 -0.0005 0.0002 -0.0022 417 THR 56 HG22 0.0024 0.0000 -0.0045 418 THR 56 HG23 -0.0013 0.0009 -0.0047 419 ASN 57 N -0.0013 0.0008 -0.0020 420 ASN 57 CA -0.0035 0.0021 -0.0037 421 ASN 57 C -0.0020 0.0022 -0.0061 422 ASN 57 O -0.0029 0.0033 -0.0087 423 ASN 57 CB -0.0058 0.0023 -0.0014 424 ASN 57 CG -0.0084 0.0029 0.0001 425 ASN 57 OD1 -0.0108 0.0042 -0.0012 426 ASN 57 ND2 -0.0080 0.0020 0.0027 427 ASN 57 H -0.0013 0.0001 0.0002 428 ASN 57 HA -0.0047 0.0029 -0.0050 429 ASN 57 HB2 -0.0046 0.0013 0.0005 430 ASN 57 HB3 -0.0067 0.0030 -0.0025 431 ASN 57 HD21 -0.0062 0.0010 0.0038 432 ASN 57 HD22 -0.0097 0.0023 0.0036 433 LEU 58 N 0.0004 0.0014 -0.0053 434 LEU 58 CA 0.0017 0.0013 -0.0068 435 LEU 58 C 0.0028 0.0014 -0.0087 436 LEU 58 O 0.0027 0.0020 -0.0107 437 LEU 58 CB 0.0031 0.0002 -0.0056 438 LEU 58 CG 0.0049 -0.0003 -0.0070 439 LEU 58 CD1 0.0067 -0.0009 -0.0078 440 LEU 58 CD2 0.0040 0.0008 -0.0088 441 LEU 58 H 0.0008 0.0007 -0.0038 442 LEU 58 HA 0.0006 0.0021 -0.0075 443 LEU 58 HB2 0.0022 0.0003 -0.0046 444 LEU 58 HB3 0.0039 -0.0005 -0.0046 445 LEU 58 HG 0.0055 -0.0009 -0.0060 446 LEU 58 HD11 0.0079 -0.0012 -0.0087 447 LEU 58 HD12 0.0062 -0.0004 -0.0088 448 LEU 58 HD13 0.0073 -0.0017 -0.0064 449 LEU 58 HD21 0.0035 0.0014 -0.0100 450 LEU 58 HD22 0.0053 0.0004 -0.0097 451 LEU 58 HD23 0.0028 0.0012 -0.0082 452 LYS 59 N 0.0034 0.0013 -0.0092 453 LYS 59 CA 0.0040 0.0009 -0.0101 454 LYS 59 C 0.0033 0.0015 -0.0107 455 LYS 59 O 0.0035 0.0015 -0.0118 456 LYS 59 CB 0.0049 0.0002 -0.0094 457 LYS 59 CG 0.0046 0.0003 -0.0082 458 LYS 59 CD 0.0055 -0.0005 -0.0075 459 LYS 59 CE 0.0062 -0.0009 -0.0084 460 LYS 59 NZ 0.0057 -0.0004 -0.0087 461 LYS 59 H 0.0035 0.0011 -0.0083 462 LYS 59 HA 0.0043 0.0008 -0.0108 463 LYS 59 HB2 0.0054 -0.0001 -0.0100 464 LYS 59 HB3 0.0054 -0.0002 -0.0090 465 LYS 59 HG2 0.0041 0.0006 -0.0075 466 LYS 59 HG3 0.0041 0.0007 -0.0085 467 LYS 59 HD2 0.0060 -0.0008 -0.0073 468 LYS 59 HD3 0.0052 -0.0004 -0.0067 469 LYS 59 HE2 0.0065 -0.0010 -0.0093 470 LYS 59 HE3 0.0069 -0.0015 -0.0079 471 LYS 59 HZ1 0.0054 -0.0004 -0.0079 472 LYS 59 HZ2 0.0061 -0.0008 -0.0093 473 LYS 59 HZ3 0.0050 0.0001 -0.0092 474 THR 60 N 0.0019 0.0013 -0.0102 475 THR 60 CA 0.0003 0.0014 -0.0120 476 THR 60 C -0.0003 0.0012 -0.0121 477 THR 60 O -0.0008 0.0016 -0.0138 478 THR 60 CB -0.0017 0.0005 -0.0118 479 THR 60 OG1 -0.0012 0.0007 -0.0118 480 THR 60 CG2 -0.0035 0.0005 -0.0137 481 THR 60 H 0.0015 0.0007 -0.0090 482 THR 60 HA 0.0009 0.0022 -0.0134 483 THR 60 HB -0.0023 -0.0003 -0.0104 484 THR 60 HG1 -0.0004 0.0005 -0.0104 485 THR 60 HG21 -0.0048 -0.0001 -0.0135 486 THR 60 HG22 -0.0029 0.0013 -0.0151 487 THR 60 HG23 -0.0039 0.0004 -0.0137 488 HIS 61 N 0.0025 0.0023 -0.0110 489 HIS 61 CA 0.0031 0.0027 -0.0113 490 HIS 61 C 0.0036 0.0031 -0.0115 491 HIS 61 O 0.0040 0.0037 -0.0116 492 HIS 61 CB 0.0036 0.0021 -0.0115 493 HIS 61 CG 0.0044 0.0023 -0.0119 494 HIS 61 ND1 0.0047 0.0029 -0.0120 495 HIS 61 CD2 0.0050 0.0020 -0.0121 496 HIS 61 CE1 0.0054 0.0030 -0.0123 497 HIS 61 NE2 0.0056 0.0024 -0.0124 498 HIS 61 H 0.0024 0.0017 -0.0110 499 HIS 61 HA 0.0030 0.0032 -0.0112 500 HIS 61 HB2 0.0034 0.0020 -0.0114 501 HIS 61 HB3 0.0036 0.0015 -0.0115 502 HIS 61 HD1 0.0044 0.0033 -0.0118 503 HIS 61 HD2 0.0050 0.0015 -0.0121 504 HIS 61 HE1 0.0059 0.0034 -0.0125 505 PHE 62 N 0.0046 0.0024 -0.0114 506 PHE 62 CA 0.0047 0.0027 -0.0112 507 PHE 62 C 0.0044 0.0032 -0.0108 508 PHE 62 O 0.0044 0.0035 -0.0106 509 PHE 62 CB 0.0045 0.0025 -0.0113 510 PHE 62 CG 0.0047 0.0020 -0.0117 511 PHE 62 CD1 0.0053 0.0019 -0.0118 512 PHE 62 CD2 0.0042 0.0016 -0.0119 513 PHE 62 CE1 0.0054 0.0014 -0.0121 514 PHE 62 CE2 0.0044 0.0012 -0.0122 515 PHE 62 CZ 0.0050 0.0011 -0.0123 516 PHE 62 H 0.0042 0.0021 -0.0115 517 PHE 62 HA 0.0052 0.0028 -0.0112 518 PHE 62 HB2 0.0040 0.0025 -0.0112 519 PHE 62 HB3 0.0047 0.0028 -0.0111 520 PHE 62 HD1 0.0056 0.0022 -0.0116 521 PHE 62 HD2 0.0038 0.0017 -0.0118 522 PHE 62 HE1 0.0059 0.0013 -0.0122 523 PHE 62 HE2 0.0041 0.0009 -0.0124 524 PHE 62 HZ 0.0051 0.0007 -0.0126 525 ARG 63 N 0.0034 0.0009 -0.0089 526 ARG 63 CA 0.0026 0.0022 -0.0115 527 ARG 63 C 0.0028 0.0009 -0.0102 528 ARG 63 O 0.0022 0.0016 -0.0121 529 ARG 63 CB 0.0009 0.0009 -0.0152 530 ARG 63 CG 0.0006 0.0028 -0.0169 531 ARG 63 CD -0.0011 0.0015 -0.0205 532 ARG 63 NE -0.0019 0.0022 -0.0230 533 ARG 63 CZ -0.0034 0.0019 -0.0265 534 ARG 63 NH1 -0.0042 0.0011 -0.0281 535 ARG 63 NH2 -0.0040 0.0025 -0.0285 536 ARG 63 H 0.0027 -0.0012 -0.0094 537 ARG 63 HA 0.0032 0.0052 -0.0116 538 ARG 63 HB2 0.0004 -0.0021 -0.0151 539 ARG 63 HB3 0.0003 0.0017 -0.0169 540 ARG 63 HG2 0.0011 0.0058 -0.0171 541 ARG 63 HG3 0.0012 0.0021 -0.0151 542 ARG 63 HD2 -0.0012 0.0030 -0.0216 543 ARG 63 HD3 -0.0016 -0.0015 -0.0203 544 ARG 63 HE -0.0014 0.0029 -0.0219 545 ARG 63 HH11 -0.0037 0.0007 -0.0267 546 ARG 63 HH12 -0.0053 0.0008 -0.0308 547 ARG 63 HH21 -0.0035 0.0032 -0.0274 548 ARG 63 HH22 -0.0051 0.0023 -0.0312 549 SER 64 N 0.0101 -0.0007 -0.0064 550 SER 64 CA 0.0121 -0.0013 -0.0032 551 SER 64 C 0.0100 0.0004 -0.0004 552 SER 64 O 0.0091 0.0009 -0.0006 553 SER 64 CB 0.0146 -0.0029 -0.0038 554 SER 64 OG 0.0161 -0.0043 -0.0070 555 SER 64 H 0.0100 -0.0010 -0.0081 556 SER 64 HA 0.0131 -0.0017 -0.0024 557 SER 64 HB2 0.0136 -0.0023 -0.0041 558 SER 64 HB3 0.0164 -0.0034 -0.0016 559 SER 64 HG 0.0174 -0.0050 -0.0065 560 LYS 65 N 0.0131 -0.0016 0.0025 561 LYS 65 CA 0.0069 0.0005 0.0085 562 LYS 65 C 0.0088 -0.0000 0.0122 563 LYS 65 O 0.0033 0.0017 0.0139 564 LYS 65 CB 0.0046 0.0014 0.0154 565 LYS 65 CG 0.0118 -0.0007 0.0205 566 LYS 65 CD 0.0165 -0.0020 0.0261 567 LYS 65 CE 0.0234 -0.0040 0.0309 568 LYS 65 NZ 0.0284 -0.0055 0.0360 569 LYS 65 H 0.0160 -0.0025 0.0036 570 LYS 65 HA 0.0015 0.0020 0.0045 571 LYS 65 HB2 0.0007 0.0027 0.0200 572 LYS 65 HB3 0.0012 0.0023 0.0124 573 LYS 65 HG2 0.0093 0.0002 0.0246 574 LYS 65 HG3 0.0159 -0.0021 0.0161 575 LYS 65 HD2 0.0190 -0.0029 0.0222 576 LYS 65 HD3 0.0123 -0.0006 0.0307 577 LYS 65 HE2 0.0208 -0.0031 0.0352 578 LYS 65 HE3 0.0272 -0.0054 0.0264 579 LYS 65 HZ1 0.0249 -0.0043 0.0405 580 LYS 65 HZ2 0.0312 -0.0064 0.0321 581 LYS 65 HZ3 0.0330 -0.0068 0.0393 582 ASP 66 N 0.0142 -0.0019 0.0132 583 ASP 66 CA 0.0155 -0.0023 0.0153 584 ASP 66 C 0.0138 -0.0016 0.0105 585 ASP 66 O 0.0122 -0.0014 0.0119 586 ASP 66 CB 0.0221 -0.0037 0.0169 587 ASP 66 CG 0.0235 -0.0042 0.0202 588 ASP 66 OD1 0.0232 -0.0046 0.0258 589 ASP 66 OD2 0.0252 -0.0043 0.0172 590 ASP 66 H 0.0176 -0.0025 0.0121 591 ASP 66 HA 0.0128 -0.0022 0.0193 592 ASP 66 HB2 0.0233 -0.0042 0.0196 593 ASP 66 HB3 0.0247 -0.0039 0.0127 594 HIS 67 N 0.0109 -0.0017 0.0038 595 HIS 67 CA 0.0099 -0.0006 0.0013 596 HIS 67 C 0.0061 0.0008 0.0016 597 HIS 67 O 0.0047 0.0013 0.0019 598 HIS 67 CB 0.0111 -0.0001 -0.0024 599 HIS 67 CG 0.0105 0.0009 -0.0052 600 HIS 67 ND1 0.0105 0.0008 -0.0047 601 HIS 67 CD2 0.0109 0.0017 -0.0086 602 HIS 67 CE1 0.0110 0.0014 -0.0077 603 HIS 67 NE2 0.0113 0.0020 -0.0101 604 HIS 67 H 0.0122 -0.0020 0.0030 605 HIS 67 HA 0.0108 -0.0011 0.0018 606 HIS 67 HB2 0.0138 -0.0011 -0.0029 607 HIS 67 HB3 0.0101 0.0005 -0.0031 608 HIS 67 HD1 0.0102 0.0003 -0.0025 609 HIS 67 HD2 0.0104 0.0022 -0.0095 610 HIS 67 HE1 0.0112 0.0015 -0.0083 611 LYS 68 N 0.0061 0.0018 0.0006 612 LYS 68 CA 0.0039 0.0038 0.0008 613 LYS 68 C 0.0036 0.0051 0.0041 614 LYS 68 O 0.0025 0.0063 0.0050 615 LYS 68 CB 0.0019 0.0049 -0.0010 616 LYS 68 CG 0.0022 0.0035 -0.0043 617 LYS 68 CD 0.0002 0.0047 -0.0061 618 LYS 68 CE 0.0003 0.0051 -0.0047 619 LYS 68 NZ -0.0015 0.0061 -0.0065 620 LYS 68 H 0.0061 0.0015 -0.0002 621 LYS 68 HA 0.0038 0.0035 -0.0001 622 LYS 68 HB2 0.0019 0.0053 0.0000 623 LYS 68 HB3 0.0002 0.0064 -0.0011 624 LYS 68 HG2 0.0025 0.0029 -0.0055 625 LYS 68 HG3 0.0039 0.0021 -0.0043 626 LYS 68 HD2 -0.0015 0.0062 -0.0060 627 LYS 68 HD3 0.0005 0.0038 -0.0084 628 LYS 68 HE2 0.0020 0.0036 -0.0046 629 LYS 68 HE3 -0.0000 0.0062 -0.0024 630 LYS 68 HZ1 -0.0033 0.0076 -0.0066 631 LYS 68 HZ2 -0.0015 0.0064 -0.0055 632 LYS 68 HZ3 -0.0012 0.0051 -0.0086 633 LYS 69 N 0.0014 -0.0006 0.0073 634 LYS 69 CA 0.0002 -0.0016 0.0117 635 LYS 69 C 0.0000 -0.0012 0.0102 636 LYS 69 O -0.0036 -0.0013 0.0116 637 LYS 69 CB 0.0044 -0.0029 0.0153 638 LYS 69 CG 0.0050 -0.0041 0.0196 639 LYS 69 CD 0.0099 -0.0052 0.0223 640 LYS 69 CE 0.0113 -0.0064 0.0265 641 LYS 69 NZ 0.0163 -0.0074 0.0287 642 LYS 69 H 0.0045 -0.0009 0.0074 643 LYS 69 HA -0.0035 -0.0017 0.0133 644 LYS 69 HB2 0.0038 -0.0033 0.0170 645 LYS 69 HB3 0.0081 -0.0027 0.0132 646 LYS 69 HG2 0.0053 -0.0036 0.0178 647 LYS 69 HG3 0.0016 -0.0044 0.0221 648 LYS 69 HD2 0.0092 -0.0055 0.0239 649 LYS 69 HD3 0.0130 -0.0048 0.0196 650 LYS 69 HE2 0.0117 -0.0061 0.0250 651 LYS 69 HE3 0.0083 -0.0069 0.0294 652 LYS 69 HZ1 0.0176 -0.0082 0.0315 653 LYS 69 HZ2 0.0192 -0.0069 0.0258 654 LYS 69 HZ3 0.0160 -0.0077 0.0300 655 ARG 70 N 0.0050 -0.0020 0.0100 656 ARG 70 CA 0.0033 -0.0015 0.0110 657 ARG 70 C 0.0004 0.0021 0.0098 658 ARG 70 O -0.0025 0.0028 0.0115 659 ARG 70 CB 0.0060 -0.0025 0.0096 660 ARG 70 CG 0.0044 -0.0024 0.0109 661 ARG 70 CD 0.0027 -0.0048 0.0147 662 ARG 70 NE 0.0010 -0.0048 0.0161 663 ARG 70 CZ -0.0019 -0.0054 0.0191 664 ARG 70 NH1 -0.0034 -0.0062 0.0211 665 ARG 70 NH2 -0.0032 -0.0052 0.0201 666 ARG 70 H 0.0076 -0.0024 0.0082 667 ARG 70 HA 0.0020 -0.0032 0.0137 668 ARG 70 HB2 0.0083 -0.0049 0.0101 669 ARG 70 HB3 0.0071 -0.0006 0.0069 670 ARG 70 HG2 0.0065 -0.0032 0.0099 671 ARG 70 HG3 0.0023 0.0001 0.0101 672 ARG 70 HD2 0.0006 -0.0042 0.0158 673 ARG 70 HD3 0.0048 -0.0074 0.0155 674 ARG 70 HE 0.0021 -0.0042 0.0146 675 ARG 70 HH11 -0.0025 -0.0063 0.0205 676 ARG 70 HH12 -0.0056 -0.0066 0.0234 677 ARG 70 HH21 -0.0021 -0.0047 0.0186 678 ARG 70 HH22 -0.0054 -0.0057 0.0223 679 LEU 71 N 0.0010 0.0021 0.0068 680 LEU 71 CA -0.0008 0.0045 0.0056 681 LEU 71 C -0.0034 0.0058 0.0075 682 LEU 71 O -0.0053 0.0073 0.0080 683 LEU 71 CB -0.0002 0.0057 0.0025 684 LEU 71 CG 0.0024 0.0047 0.0002 685 LEU 71 CD1 0.0027 0.0062 -0.0028 686 LEU 71 CD2 0.0026 0.0045 0.0001 687 LEU 71 H 0.0023 0.0016 0.0057 688 LEU 71 HA -0.0009 0.0046 0.0055 689 LEU 71 HB2 -0.0002 0.0057 0.0026 690 LEU 71 HB3 -0.0016 0.0075 0.0017 691 LEU 71 HG 0.0038 0.0029 0.0009 692 LEU 71 HD11 0.0012 0.0080 -0.0036 693 LEU 71 HD12 0.0025 0.0063 -0.0027 694 LEU 71 HD13 0.0045 0.0054 -0.0044 695 LEU 71 HD21 0.0026 0.0033 0.0022 696 LEU 71 HD22 0.0012 0.0062 -0.0005 697 LEU 71 HD23 0.0044 0.0038 -0.0016 698 LYS 72 N -0.0025 0.0039 0.0103 699 LYS 72 CA -0.0030 0.0023 0.0100 700 LYS 72 C -0.0087 0.0003 0.0112 701 LYS 72 O -0.0108 0.0015 0.0122 702 LYS 72 CB 0.0007 -0.0021 0.0075 703 LYS 72 CG 0.0006 -0.0041 0.0070 704 LYS 72 CD 0.0045 -0.0082 0.0046 705 LYS 72 CE 0.0045 -0.0101 0.0040 706 LYS 72 NZ 0.0085 -0.0140 0.0017 707 LYS 72 H -0.0002 0.0021 0.0090 708 LYS 72 HA -0.0019 0.0056 0.0106 709 LYS 72 HB2 0.0046 -0.0007 0.0067 710 LYS 72 HB3 -0.0005 -0.0054 0.0069 711 LYS 72 HG2 -0.0033 -0.0059 0.0077 712 LYS 72 HG3 0.0015 -0.0008 0.0077 713 LYS 72 HD2 0.0084 -0.0064 0.0039 714 LYS 72 HD3 0.0035 -0.0115 0.0039 715 LYS 72 HE2 0.0007 -0.0120 0.0047 716 LYS 72 HE3 0.0053 -0.0068 0.0047 717 LYS 72 HZ1 0.0078 -0.0172 0.0009 718 LYS 72 HZ2 0.0123 -0.0122 0.0010 719 LYS 72 HZ3 0.0084 -0.0152 0.0013 720 GLN 73 N -0.0067 -0.0005 0.0139 721 GLN 73 CA -0.0086 -0.0016 0.0158 722 GLN 73 C -0.0103 0.0005 0.0152 723 GLN 73 O -0.0129 0.0007 0.0165 724 GLN 73 CB -0.0067 -0.0041 0.0166 725 GLN 73 CG -0.0050 -0.0064 0.0173 726 GLN 73 CD -0.0031 -0.0088 0.0181 727 GLN 73 OE1 -0.0021 -0.0085 0.0173 728 GLN 73 NE2 -0.0027 -0.0112 0.0196 729 GLN 73 H -0.0045 -0.0012 0.0132 730 GLN 73 HA -0.0101 -0.0022 0.0170 731 GLN 73 HB2 -0.0052 -0.0036 0.0153 732 GLN 73 HB3 -0.0082 -0.0049 0.0180 733 GLN 73 HG2 -0.0066 -0.0071 0.0187 734 GLN 73 HG3 -0.0036 -0.0057 0.0160 735 GLN 73 HE21 -0.0036 -0.0113 0.0202 736 GLN 73 HE22 -0.0015 -0.0128 0.0201 737 LEU 74 N -0.0086 0.0025 0.0161 738 LEU 74 CA -0.0101 0.0047 0.0159 739 LEU 74 C -0.0123 0.0086 0.0151 740 LEU 74 O -0.0143 0.0107 0.0154 741 LEU 74 CB -0.0075 0.0045 0.0135 742 LEU 74 CG -0.0086 0.0063 0.0133 743 LEU 74 CD1 -0.0107 0.0046 0.0164 744 LEU 74 CD2 -0.0057 0.0059 0.0108 745 LEU 74 H -0.0063 0.0019 0.0143 746 LEU 74 HA -0.0116 0.0035 0.0182 747 LEU 74 HB2 -0.0058 0.0017 0.0140 748 LEU 74 HB3 -0.0062 0.0058 0.0113 749 LEU 74 HG -0.0101 0.0091 0.0126 750 LEU 74 HD11 -0.0114 0.0059 0.0161 751 LEU 74 HD12 -0.0093 0.0018 0.0172 752 LEU 74 HD13 -0.0128 0.0051 0.0181 753 LEU 74 HD21 -0.0041 0.0030 0.0114 754 LEU 74 HD22 -0.0065 0.0072 0.0106 755 LEU 74 HD23 -0.0042 0.0071 0.0085 756 SER 75 N -0.0122 0.0078 0.0143 757 SER 75 CA -0.0136 0.0118 0.0137 758 SER 75 C -0.0119 0.0158 0.0111 759 SER 75 O -0.0134 0.0196 0.0105 760 SER 75 CB -0.0183 0.0128 0.0162 761 SER 75 OG -0.0197 0.0165 0.0156 762 SER 75 H -0.0101 0.0055 0.0139 763 SER 75 HA -0.0123 0.0109 0.0132 764 SER 75 HB2 -0.0194 0.0099 0.0179 765 SER 75 HB3 -0.0196 0.0136 0.0167 766 SER 75 HG -0.0218 0.0156 0.0172 767 VAL 76 N -0.0076 0.0137 0.0090 768 VAL 76 CA -0.0062 0.0159 0.0061 769 VAL 76 C -0.0059 0.0184 0.0041 770 VAL 76 O -0.0070 0.0216 0.0031 771 VAL 76 CB -0.0031 0.0136 0.0045 772 VAL 76 CG1 -0.0016 0.0158 0.0015 773 VAL 76 CG2 -0.0034 0.0111 0.0065 774 VAL 76 H -0.0066 0.0112 0.0096 775 VAL 76 HA -0.0076 0.0174 0.0065 776 VAL 76 HB -0.0018 0.0120 0.0042 777 VAL 76 HG11 0.0005 0.0141 0.0004 778 VAL 76 HG12 -0.0030 0.0174 0.0018 779 VAL 76 HG13 -0.0014 0.0175 0.0001 780 VAL 76 HG21 -0.0012 0.0094 0.0053 781 VAL 76 HG22 -0.0044 0.0094 0.0086 782 VAL 76 HG23 -0.0048 0.0126 0.0069 783 GLU 77 N -0.0025 0.0128 0.0067 784 GLU 77 CA -0.0014 0.0150 0.0047 785 GLU 77 C -0.0011 0.0145 0.0039 786 GLU 77 O -0.0003 0.0124 0.0023 787 GLU 77 CB -0.0001 0.0150 0.0021 788 GLU 77 CG 0.0005 0.0118 0.0007 789 GLU 77 CD 0.0019 0.0120 -0.0019 790 GLU 77 OE1 0.0018 0.0124 -0.0018 791 GLU 77 OE2 0.0030 0.0117 -0.0042 792 GLU 77 H -0.0024 0.0107 0.0065 793 GLU 77 HA -0.0019 0.0172 0.0057 794 GLU 77 HB2 0.0007 0.0164 0.0006 795 GLU 77 HB3 -0.0003 0.0160 0.0026 796 GLU 77 HG2 -0.0002 0.0103 0.0021 797 GLU 77 HG3 0.0007 0.0108 0.0002 798 PRO 78 N 0.0009 0.0151 0.0064 799 PRO 78 CA 0.0023 0.0118 0.0051 800 PRO 78 C 0.0077 0.0132 0.0024 801 PRO 78 O 0.0092 0.0180 0.0024 802 PRO 78 CB -0.0009 0.0135 0.0071 803 PRO 78 CG -0.0049 0.0163 0.0097 804 PRO 78 CD -0.0028 0.0189 0.0089 805 PRO 78 HA 0.0017 0.0074 0.0048 806 PRO 78 HB2 0.0013 0.0162 0.0063 807 PRO 78 HB3 -0.0023 0.0098 0.0073 808 PRO 78 HG2 -0.0062 0.0194 0.0108 809 PRO 78 HG3 -0.0079 0.0133 0.0108 810 PRO 78 HD2 -0.0011 0.0230 0.0086 811 PRO 78 HD3 -0.0056 0.0191 0.0105 812 TYR 79 N 0.0156 0.0041 -0.0022 813 TYR 79 CA 0.0179 0.0049 -0.0054 814 TYR 79 C 0.0160 0.0041 -0.0034 815 TYR 79 O 0.0176 0.0059 0.0003 816 TYR 79 CB 0.0232 0.0083 -0.0058 817 TYR 79 CG 0.0252 0.0091 -0.0087 818 TYR 79 CD1 0.0259 0.0101 -0.0057 819 TYR 79 CD2 0.0264 0.0087 -0.0142 820 TYR 79 CE1 0.0276 0.0108 -0.0083 821 TYR 79 CE2 0.0282 0.0093 -0.0168 822 TYR 79 CZ 0.0288 0.0104 -0.0138 823 TYR 79 OH 0.0305 0.0110 -0.0164 824 TYR 79 H 0.0135 0.0023 -0.0039 825 TYR 79 HA 0.0168 0.0034 -0.0094 826 TYR 79 HB2 0.0243 0.0099 -0.0018 827 TYR 79 HB3 0.0246 0.0088 -0.0081 828 TYR 79 HD1 0.0250 0.0104 -0.0014 829 TYR 79 HD2 0.0259 0.0079 -0.0166 830 TYR 79 HE1 0.0281 0.0116 -0.0059 831 TYR 79 HE2 0.0291 0.0090 -0.0212 832 TYR 79 HH 0.0288 0.0092 -0.0195 833 SER 80 N 0.0094 0.0047 -0.0065 834 SER 80 CA 0.0078 0.0049 -0.0047 835 SER 80 C 0.0081 0.0049 -0.0049 836 SER 80 O 0.0099 0.0047 -0.0061 837 SER 80 CB 0.0051 0.0051 -0.0053 838 SER 80 OG 0.0034 0.0052 -0.0035 839 SER 80 H 0.0089 0.0047 -0.0083 840 SER 80 HA 0.0083 0.0049 -0.0029 841 SER 80 HB2 0.0050 0.0051 -0.0053 842 SER 80 HB3 0.0046 0.0050 -0.0072 843 SER 80 HG 0.0035 0.0053 -0.0021 844 GLN 81 N 0.0013 0.0017 -0.0070 845 GLN 81 CA -0.0018 0.0019 -0.0055 846 GLN 81 C -0.0025 0.0053 -0.0042 847 GLN 81 O -0.0004 0.0076 -0.0045 848 GLN 81 CB -0.0023 0.0009 -0.0056 849 GLN 81 CG -0.0056 0.0006 -0.0041 850 GLN 81 CD -0.0063 -0.0001 -0.0040 851 GLN 81 OE1 -0.0045 0.0009 -0.0046 852 GLN 81 NE2 -0.0088 -0.0018 -0.0033 853 GLN 81 H 0.0029 0.0015 -0.0078 854 GLN 81 HA -0.0032 0.0004 -0.0053 855 GLN 81 HB2 -0.0015 -0.0013 -0.0066 856 GLN 81 HB3 -0.0011 0.0027 -0.0056 857 GLN 81 HG2 -0.0065 0.0028 -0.0031 858 GLN 81 HG3 -0.0068 -0.0013 -0.0041 859 GLN 81 HE21 -0.0101 -0.0025 -0.0029 860 GLN 81 HE22 -0.0093 -0.0023 -0.0032 861 GLU 82 N -0.0116 0.0075 -0.0070 862 GLU 82 CA -0.0153 0.0160 -0.0082 863 GLU 82 C -0.0094 0.0192 -0.0116 864 GLU 82 O -0.0113 0.0261 -0.0130 865 GLU 82 CB -0.0177 0.0229 -0.0094 866 GLU 82 CG -0.0218 0.0319 -0.0106 867 GLU 82 CD -0.0242 0.0378 -0.0115 868 GLU 82 OE1 -0.0185 0.0413 -0.0149 869 GLU 82 OE2 -0.0319 0.0390 -0.0087 870 GLU 82 H -0.0139 0.0022 -0.0043 871 GLU 82 HA -0.0211 0.0147 -0.0054 872 GLU 82 HB2 -0.0220 0.0202 -0.0068 873 GLU 82 HB3 -0.0119 0.0238 -0.0120 874 GLU 82 HG2 -0.0174 0.0349 -0.0134 875 GLU 82 HG3 -0.0275 0.0311 -0.0080 876 GLU 83 N 0.0040 0.0035 -0.0183 877 GLU 83 CA 0.0105 0.0044 -0.0222 878 GLU 83 C 0.0167 0.0022 -0.0184 879 GLU 83 O 0.0203 0.0027 -0.0205 880 GLU 83 CB 0.0114 0.0052 -0.0244 881 GLU 83 CG 0.0181 0.0062 -0.0286 882 GLU 83 CD 0.0183 0.0072 -0.0312 883 GLU 83 OE1 0.0197 0.0056 -0.0275 884 GLU 83 OE2 0.0170 0.0098 -0.0370 885 GLU 83 H 0.0037 0.0017 -0.0139 886 GLU 83 HA 0.0100 0.0062 -0.0265 887 GLU 83 HB2 0.0070 0.0069 -0.0273 888 GLU 83 HB3 0.0115 0.0034 -0.0201 889 GLU 83 HG2 0.0226 0.0045 -0.0256 890 GLU 83 HG3 0.0183 0.0079 -0.0327 891 ALA 84 N 0.0147 -0.0016 -0.0114 892 ALA 84 CA 0.0221 -0.0052 -0.0061 893 ALA 84 C 0.0184 -0.0077 0.0016 894 ALA 84 O 0.0225 -0.0113 0.0081 895 ALA 84 CB 0.0269 -0.0073 -0.0035 896 ALA 84 H 0.0109 -0.0015 -0.0098 897 ALA 84 HA 0.0266 -0.0046 -0.0098 898 ALA 84 HB1 0.0322 -0.0100 0.0005 899 ALA 84 HB2 0.0222 -0.0078 -0.0001 900 ALA 84 HB3 0.0299 -0.0055 -0.0091 901 GLU 85 N 0.0041 -0.0156 0.0013 902 GLU 85 CA -0.0057 -0.0197 0.0085 903 GLU 85 C -0.0148 -0.0092 0.0081 904 GLU 85 O -0.0173 -0.0035 0.0067 905 GLU 85 CB -0.0056 -0.0262 0.0117 906 GLU 85 CG -0.0145 -0.0329 0.0197 907 GLU 85 CD -0.0261 -0.0261 0.0225 908 GLU 85 OE1 -0.0293 -0.0235 0.0229 909 GLU 85 OE2 -0.0323 -0.0232 0.0243 910 GLU 85 H 0.0032 -0.0075 -0.0022 911 GLU 85 HA -0.0064 -0.0250 0.0115 912 GLU 85 HB2 0.0023 -0.0320 0.0103 913 GLU 85 HB3 -0.0066 -0.0203 0.0092 914 GLU 85 HG2 -0.0142 -0.0362 0.0211 915 GLU 85 HG3 -0.0121 -0.0395 0.0217 916 ARG 86 N -0.0044 -0.0228 0.0347 917 ARG 86 CA -0.0300 -0.0009 0.0197 918 ARG 86 C -0.0435 -0.0036 0.0476 919 ARG 86 O -0.0236 -0.0245 0.0690 920 ARG 86 CB -0.0141 0.0070 -0.0251 921 ARG 86 CG 0.0272 -0.0150 -0.0342 922 ARG 86 CD 0.0351 -0.0290 -0.0112 923 ARG 86 NE 0.0751 -0.0509 -0.0185 924 ARG 86 CZ 0.0918 -0.0697 0.0028 925 ARG 86 NH1 0.0719 -0.0691 0.0323 926 ARG 86 NH2 0.1285 -0.0891 -0.0056 927 ARG 86 H 0.0185 -0.0397 0.0417 928 ARG 86 HA -0.0544 0.0145 0.0189 929 ARG 86 HB2 -0.0305 0.0201 -0.0325 930 ARG 86 HB3 -0.0170 0.0168 -0.0452 931 ARG 86 HG2 0.0353 -0.0072 -0.0665 932 ARG 86 HG3 0.0441 -0.0285 -0.0266 933 ARG 86 HD2 0.0248 -0.0354 0.0210 934 ARG 86 HD3 0.0207 -0.0159 -0.0217 935 ARG 86 HE 0.0903 -0.0515 -0.0408 936 ARG 86 HH11 0.0441 -0.0549 0.0401 937 ARG 86 HH12 0.0841 -0.0830 0.0485 938 ARG 86 HH21 0.1444 -0.0901 -0.0278 939 ARG 86 HH22 0.1423 -0.1037 0.0097 940 ALA 87 N -0.0727 0.0087 0.0346 941 ALA 87 CA -0.0969 0.0105 0.0577 942 ALA 87 C -0.0980 0.0273 0.0319 943 ALA 87 O -0.1268 0.0443 0.0354 944 ALA 87 CB -0.1359 0.0262 0.0742 945 ALA 87 H -0.0829 0.0261 0.0176 946 ALA 87 HA -0.0859 -0.0112 0.0805 947 ALA 87 HB1 -0.1464 0.0475 0.0513 948 ALA 87 HB2 -0.1347 0.0141 0.0923 949 ALA 87 HB3 -0.1542 0.0281 0.0907 950 ALA 88 N -0.0743 0.0170 0.0099 951 ALA 88 CA -0.0680 0.0322 -0.0256 952 ALA 88 C -0.0279 0.0073 -0.0240 953 ALA 88 O 0.0104 -0.0029 -0.0479 954 ALA 88 CB -0.0627 0.0543 -0.0728 955 ALA 88 H -0.0481 -0.0006 0.0133 956 ALA 88 HA -0.0976 0.0463 -0.0187 957 ALA 88 HB1 -0.0330 0.0405 -0.0803 958 ALA 88 HB2 -0.0919 0.0718 -0.0728 959 ALA 88 HB3 -0.0591 0.0659 -0.0986 960 GLY 89 N -0.0239 -0.0212 0.0208 961 GLY 89 CA 0.0003 -0.0356 0.0242 962 GLY 89 C -0.0037 -0.0365 0.0415 963 GLY 89 O -0.0176 -0.0270 0.0328 964 GLY 89 H -0.0394 -0.0147 0.0335 965 GLY 89 HA2 0.0097 -0.0369 0.0029 966 GLY 89 HA3 0.0124 -0.0445 0.0356 967 MET 90 N -0.0492 -0.0455 0.0635 968 MET 90 CA -0.0337 -0.0402 0.0418 969 MET 90 C -0.0272 -0.0425 0.0330 970 MET 90 O -0.0226 -0.0627 0.0280 971 MET 90 CB -0.0250 -0.0568 0.0310 972 MET 90 CG -0.0092 -0.0496 0.0088 973 MET 90 SD 0.0034 -0.0510 -0.0085 974 MET 90 CE 0.0201 -0.0440 -0.0319 975 MET 90 H -0.0562 -0.0321 0.0723 976 MET 90 HA -0.0332 -0.0210 0.0400 977 MET 90 HB2 -0.0310 -0.0565 0.0392 978 MET 90 HB3 -0.0245 -0.0756 0.0315 979 MET 90 HG2 -0.0098 -0.0308 0.0083 980 MET 90 HG3 -0.0050 -0.0617 0.0038 981 MET 90 HE1 0.0188 -0.0258 -0.0313 982 MET 90 HE2 0.0288 -0.0443 -0.0439 983 MET 90 HE3 0.0226 -0.0576 -0.0344 984 GLY 91 N -0.0244 -0.0334 0.0334 985 GLY 91 CA -0.0235 -0.0308 0.0302 986 GLY 91 C -0.0170 -0.0115 0.0077 987 GLY 91 O -0.0260 0.0100 0.0082 988 GLY 91 H -0.0313 -0.0177 0.0343 989 GLY 91 HA2 -0.0152 -0.0497 0.0293 990 GLY 91 HA3 -0.0357 -0.0238 0.0452 991 SER 92 N 0.0105 -0.0140 -0.0183 992 SER 92 CA 0.0206 0.0040 -0.0408 993 SER 92 C 0.0398 -0.0107 -0.0516 994 SER 92 O 0.0563 -0.0311 -0.0560 995 SER 92 CB 0.0288 0.0149 -0.0565 996 SER 92 OG 0.0104 0.0285 -0.0457 997 SER 92 H 0.0196 -0.0303 -0.0175 998 SER 92 HA 0.0080 0.0212 -0.0385 999 SER 92 HB2 0.0415 -0.0020 -0.0590 1000 SER 92 HB3 0.0357 0.0294 -0.0732 1001 SER 92 HG -0.0018 0.0238 -0.0298 1002 TYR 93 N 0.0367 -0.0075 -0.0706 1003 TYR 93 CA 0.0293 -0.0033 -0.0506 1004 TYR 93 C 0.0155 -0.0156 -0.0487 1005 TYR 93 O 0.0104 -0.0282 -0.0621 1006 TYR 93 CB 0.0234 -0.0030 -0.0398 1007 TYR 93 CG 0.0173 0.0035 -0.0182 1008 TYR 93 CD1 0.0276 0.0192 -0.0081 1009 TYR 93 CD2 0.0015 -0.0060 -0.0080 1010 TYR 93 CE1 0.0224 0.0252 0.0114 1011 TYR 93 CE2 -0.0038 0.0000 0.0117 1012 TYR 93 CZ 0.0066 0.0156 0.0213 1013 TYR 93 OH 0.0013 0.0216 0.0409 1014 TYR 93 H 0.0306 -0.0170 -0.0769 1015 TYR 93 HA 0.0378 0.0079 -0.0453 1016 TYR 93 HB2 0.0329 0.0040 -0.0438 1017 TYR 93 HB3 0.0139 -0.0146 -0.0441 1018 TYR 93 HD1 0.0399 0.0267 -0.0159 1019 TYR 93 HD2 -0.0067 -0.0183 -0.0156 1020 TYR 93 HE1 0.0306 0.0375 0.0190 1021 TYR 93 HE2 -0.0161 -0.0075 0.0195 1022 TYR 93 HH -0.0049 0.0174 0.0442 1023 VAL 94 N 0.0117 -0.0112 -0.0458 1024 VAL 94 CA -0.0101 -0.0291 -0.0403 1025 VAL 94 C -0.0416 -0.0574 -0.0397 1026 VAL 94 O -0.0544 -0.0606 -0.0124 1027 VAL 94 CB -0.0084 -0.0168 -0.0048 1028 VAL 94 CG1 -0.0125 -0.0093 0.0320 1029 VAL 94 CG2 -0.0306 -0.0358 -0.0013 1030 VAL 94 H 0.0232 0.0052 -0.0260 1031 VAL 94 HA -0.0045 -0.0319 -0.0656 1032 VAL 94 HB 0.0135 0.0015 -0.0094 1033 VAL 94 HG11 -0.0110 -0.0010 0.0553 1034 VAL 94 HG12 -0.0338 -0.0271 0.0369 1035 VAL 94 HG13 0.0046 0.0053 0.0296 1036 VAL 94 HG21 -0.0526 -0.0546 0.0019 1037 VAL 94 HG22 -0.0290 -0.0269 0.0232 1038 VAL 94 HG23 -0.0259 -0.0392 -0.0265