1 ASP 28 N 0.0235 0.0188 0.0199 2 ASP 28 CA 0.0094 0.0112 0.0104 3 ASP 28 C -0.0059 0.0174 0.0031 4 ASP 28 O -0.0089 0.0339 0.0049 5 ASP 28 CB 0.0073 0.0173 0.0105 6 ASP 28 CG -0.0070 0.0098 0.0009 7 ASP 28 OD1 -0.0064 -0.0072 -0.0024 8 ASP 28 OD2 -0.0184 0.0207 -0.0032 9 ASP 28 H 0.0342 0.0150 0.0251 10 ASP 28 HA 0.0117 -0.0037 0.0085 11 ASP 28 HB2 0.0183 0.0127 0.0157 12 ASP 28 HB3 0.0054 0.0322 0.0126 13 PRO 29 N 0.0043 0.0164 -0.0246 14 PRO 29 CA -0.0144 0.0039 -0.0152 15 PRO 29 C -0.0408 0.0316 -0.0148 16 PRO 29 O -0.0606 0.0484 -0.0133 17 PRO 29 CB -0.0328 -0.0266 -0.0008 18 PRO 29 CG -0.0151 -0.0364 -0.0035 19 PRO 29 CD -0.0013 -0.0040 -0.0170 20 PRO 29 HA 0.0030 -0.0050 -0.0181 21 PRO 29 HB2 -0.0596 -0.0179 0.0052 22 PRO 29 HB3 -0.0309 -0.0477 0.0046 23 PRO 29 HG2 -0.0332 -0.0460 0.0049 24 PRO 29 HG3 0.0058 -0.0560 -0.0045 25 PRO 29 HD2 -0.0198 0.0096 -0.0151 26 PRO 29 HD3 0.0227 -0.0107 -0.0227 27 ASN 30 N -0.0325 0.0167 -0.0145 28 ASN 30 CA -0.0339 0.0155 0.0006 29 ASN 30 C -0.0288 0.0243 0.0045 30 ASN 30 O -0.0229 0.0346 0.0108 31 ASN 30 CB -0.0333 0.0174 0.0111 32 ASN 30 CG -0.0345 0.0167 0.0275 33 ASN 30 OD1 -0.0408 0.0066 0.0337 34 ASN 30 ND2 -0.0285 0.0272 0.0346 35 ASN 30 H -0.0369 0.0089 -0.0204 36 ASN 30 HA -0.0397 0.0060 0.0016 37 ASN 30 HB2 -0.0375 0.0101 0.0084 38 ASN 30 HB3 -0.0277 0.0264 0.0084 39 ASN 30 HD21 -0.0235 0.0351 0.0291 40 ASN 30 HD22 -0.0291 0.0270 0.0451 41 ALA 31 N -0.0160 0.0456 -0.0101 42 ALA 31 CA -0.0149 0.0427 -0.0064 43 ALA 31 C -0.0190 0.0419 -0.0033 44 ALA 31 O -0.0214 0.0423 -0.0027 45 ALA 31 CB -0.0126 0.0420 -0.0066 46 ALA 31 H -0.0192 0.0468 -0.0104 47 ALA 31 HA -0.0126 0.0414 -0.0057 48 ALA 31 HB1 -0.0117 0.0398 -0.0038 49 ALA 31 HB2 -0.0148 0.0432 -0.0073 50 ALA 31 HB3 -0.0096 0.0426 -0.0088 51 GLU 32 N -0.0122 0.0061 -0.0113 52 GLU 32 CA -0.0176 -0.0014 -0.0119 53 GLU 32 C -0.0135 0.0032 -0.0081 54 GLU 32 O -0.0166 -0.0005 -0.0103 55 GLU 32 CB -0.0228 -0.0113 -0.0033 56 GLU 32 CG -0.0189 -0.0098 0.0105 57 GLU 32 CD -0.0244 -0.0199 0.0185 58 GLU 32 OE1 -0.0273 -0.0253 0.0227 59 GLU 32 OE2 -0.0260 -0.0228 0.0205 60 GLU 32 H -0.0112 0.0053 -0.0037 61 GLU 32 HA -0.0208 -0.0031 -0.0214 62 GLU 32 HB2 -0.0268 -0.0167 -0.0041 63 GLU 32 HB3 -0.0255 -0.0143 -0.0064 64 GLU 32 HG2 -0.0150 -0.0046 0.0116 65 GLU 32 HG3 -0.0159 -0.0065 0.0135 66 PHE 33 N 0.0012 0.0074 0.0108 67 PHE 33 CA 0.0022 0.0076 0.0118 68 PHE 33 C 0.0047 0.0036 0.0130 69 PHE 33 O 0.0052 0.0005 0.0127 70 PHE 33 CB -0.0009 0.0080 0.0091 71 PHE 33 CG -0.0029 0.0044 0.0063 72 PHE 33 CD1 -0.0021 0.0004 0.0060 73 PHE 33 CD2 -0.0056 0.0051 0.0040 74 PHE 33 CE1 -0.0039 -0.0028 0.0035 75 PHE 33 CE2 -0.0074 0.0019 0.0015 76 PHE 33 CZ -0.0065 -0.0021 0.0012 77 PHE 33 H -0.0003 0.0055 0.0089 78 PHE 33 HA 0.0033 0.0105 0.0136 79 PHE 33 HB2 -0.0001 0.0077 0.0097 80 PHE 33 HB3 -0.0025 0.0111 0.0084 81 PHE 33 HD1 0.0000 -0.0002 0.0077 82 PHE 33 HD2 -0.0063 0.0082 0.0042 83 PHE 33 HE1 -0.0032 -0.0059 0.0033 84 PHE 33 HE2 -0.0095 0.0025 -0.0003 85 PHE 33 HZ -0.0080 -0.0046 -0.0008 86 ASP 34 N 0.0105 -0.0101 0.0147 87 ASP 34 CA 0.0154 -0.0108 0.0134 88 ASP 34 C 0.0116 -0.0086 0.0149 89 ASP 34 O 0.0080 -0.0034 0.0171 90 ASP 34 CB 0.0222 -0.0061 0.0132 91 ASP 34 CG 0.0278 -0.0073 0.0116 92 ASP 34 OD1 0.0271 -0.0048 0.0124 93 ASP 34 OD2 0.0330 -0.0108 0.0094 94 ASP 34 H 0.0097 -0.0053 0.0162 95 ASP 34 HA 0.0167 -0.0163 0.0117 96 ASP 34 HB2 0.0244 -0.0072 0.0124 97 ASP 34 HB3 0.0208 -0.0006 0.0149 98 PRO 35 N 0.0067 -0.0279 0.0263 99 PRO 35 CA -0.0083 -0.0275 0.0259 100 PRO 35 C -0.0016 -0.0167 0.0259 101 PRO 35 O -0.0130 -0.0161 0.0256 102 PRO 35 CB -0.0119 -0.0497 0.0263 103 PRO 35 CG 0.0083 -0.0590 0.0270 104 PRO 35 CD 0.0180 -0.0472 0.0270 105 PRO 35 HA -0.0221 -0.0206 0.0255 106 PRO 35 HB2 -0.0171 -0.0517 0.0262 107 PRO 35 HB3 -0.0229 -0.0555 0.0262 108 PRO 35 HG2 0.0172 -0.0579 0.0272 109 PRO 35 HG3 0.0065 -0.0746 0.0273 110 PRO 35 HD2 0.0338 -0.0447 0.0274 111 PRO 35 HD3 0.0160 -0.0548 0.0271 112 ASP 36 N 0.0193 0.0161 0.0248 113 ASP 36 CA 0.0298 0.0624 0.0125 114 ASP 36 C 0.0278 0.0699 0.0212 115 ASP 36 O 0.0289 0.1086 0.0329 116 ASP 36 CB 0.0476 0.0696 -0.0357 117 ASP 36 CG 0.0592 0.1164 -0.0507 118 ASP 36 OD1 0.0597 0.1509 -0.0390 119 ASP 36 OD2 0.0681 0.1193 -0.0751 120 ASP 36 H 0.0226 -0.0106 0.0049 121 ASP 36 HA 0.0261 0.0869 0.0326 122 ASP 36 HB2 0.0487 0.0660 -0.0402 123 ASP 36 HB3 0.0510 0.0431 -0.0557 124 LEU 37 N 0.0173 0.0005 0.0110 125 LEU 37 CA 0.0166 -0.0009 0.0131 126 LEU 37 C 0.0168 -0.0018 0.0160 127 LEU 37 O 0.0161 -0.0025 0.0162 128 LEU 37 CB 0.0144 -0.0028 0.0118 129 LEU 37 CG 0.0141 -0.0022 0.0093 130 LEU 37 CD1 0.0155 -0.0011 0.0104 131 LEU 37 CD2 0.0146 -0.0007 0.0066 132 LEU 37 H 0.0162 -0.0001 0.0098 133 LEU 37 HA 0.0178 0.0002 0.0134 134 LEU 37 HB2 0.0134 -0.0036 0.0110 135 LEU 37 HB3 0.0138 -0.0040 0.0136 136 LEU 37 HG 0.0125 -0.0038 0.0089 137 LEU 37 HD11 0.0153 -0.0007 0.0087 138 LEU 37 HD12 0.0172 0.0005 0.0110 139 LEU 37 HD13 0.0151 -0.0022 0.0123 140 LEU 37 HD21 0.0144 -0.0004 0.0049 141 LEU 37 HD22 0.0135 -0.0016 0.0057 142 LEU 37 HD23 0.0162 0.0008 0.0070 143 PRO 38 N 0.0178 -0.0047 -0.0004 144 PRO 38 CA 0.0182 -0.0042 -0.0030 145 PRO 38 C 0.0170 -0.0006 -0.0031 146 PRO 38 O 0.0161 0.0007 -0.0004 147 PRO 38 CB 0.0187 -0.0066 -0.0018 148 PRO 38 CG 0.0191 -0.0091 0.0005 149 PRO 38 CD 0.0182 -0.0074 0.0022 150 PRO 38 HA 0.0188 -0.0047 -0.0055 151 PRO 38 HB2 0.0180 -0.0053 -0.0005 152 PRO 38 HB3 0.0195 -0.0077 -0.0040 153 PRO 38 HG2 0.0191 -0.0101 0.0024 154 PRO 38 HG3 0.0201 -0.0111 -0.0010 155 PRO 38 HD2 0.0174 -0.0063 0.0045 156 PRO 38 HD3 0.0187 -0.0090 0.0027 157 GLY 39 N 0.0093 -0.0000 -0.0088 158 GLY 39 CA 0.0094 0.0017 -0.0091 159 GLY 39 C 0.0084 0.0038 -0.0081 160 GLY 39 O 0.0079 0.0052 -0.0077 161 GLY 39 H 0.0101 -0.0003 -0.0098 162 GLY 39 HA2 0.0104 0.0022 -0.0105 163 GLY 39 HA3 0.0090 0.0011 -0.0085 164 GLY 40 N 0.0082 0.0051 0.0056 165 GLY 40 CA 0.0093 0.0048 0.0071 166 GLY 40 C 0.0112 0.0060 0.0098 167 GLY 40 O 0.0122 0.0062 0.0112 168 GLY 40 H 0.0079 0.0032 0.0052 169 GLY 40 HA2 0.0093 0.0023 0.0070 170 GLY 40 HA3 0.0085 0.0062 0.0061 171 GLY 41 N 0.0135 0.0006 0.0082 172 GLY 41 CA 0.0145 0.0017 0.0110 173 GLY 41 C 0.0160 0.0056 0.0106 174 GLY 41 O 0.0170 0.0071 0.0130 175 GLY 41 H 0.0126 -0.0006 0.0061 176 GLY 41 HA2 0.0139 0.0004 0.0106 177 GLY 41 HA3 0.0148 0.0009 0.0137 178 LEU 42 N 0.0064 0.0075 0.0059 179 LEU 42 CA 0.0076 0.0116 0.0053 180 LEU 42 C 0.0078 0.0127 0.0032 181 LEU 42 O 0.0088 0.0161 0.0029 182 LEU 42 CB 0.0079 0.0130 0.0029 183 LEU 42 CG 0.0078 0.0122 0.0046 184 LEU 42 CD1 0.0080 0.0137 0.0018 185 LEU 42 CD2 0.0087 0.0139 0.0087 186 LEU 42 H 0.0058 0.0061 0.0037 187 LEU 42 HA 0.0084 0.0129 0.0082 188 LEU 42 HB2 0.0072 0.0117 -0.0000 189 LEU 42 HB3 0.0088 0.0161 0.0025 190 LEU 42 HG 0.0069 0.0091 0.0049 191 LEU 42 HD11 0.0079 0.0132 0.0031 192 LEU 42 HD12 0.0089 0.0168 0.0013 193 LEU 42 HD13 0.0072 0.0123 -0.0010 194 LEU 42 HD21 0.0096 0.0169 0.0085 195 LEU 42 HD22 0.0086 0.0133 0.0098 196 LEU 42 HD23 0.0085 0.0126 0.0107 197 HIS 43 N 0.0101 -0.0011 -0.0135 198 HIS 43 CA 0.0096 0.0006 -0.0124 199 HIS 43 C 0.0113 0.0014 -0.0118 200 HIS 43 O 0.0120 0.0013 -0.0118 201 HIS 43 CB 0.0082 0.0009 -0.0123 202 HIS 43 CG 0.0064 -0.0000 -0.0130 203 HIS 43 ND1 0.0049 0.0005 -0.0128 204 HIS 43 CD2 0.0060 -0.0014 -0.0140 205 HIS 43 CE1 0.0036 -0.0005 -0.0136 206 HIS 43 NE2 0.0042 -0.0017 -0.0143 207 HIS 43 H 0.0108 -0.0016 -0.0138 208 HIS 43 HA 0.0090 0.0010 -0.0122 209 HIS 43 HB2 0.0088 0.0006 -0.0124 210 HIS 43 HB3 0.0078 0.0021 -0.0115 211 HIS 43 HD1 0.0049 0.0014 -0.0122 212 HIS 43 HD2 0.0068 -0.0021 -0.0144 213 HIS 43 HE1 0.0023 -0.0004 -0.0136 214 HIS 43 HE2 0.0036 -0.0027 -0.0150 215 ARG 44 N 0.0244 0.0134 -0.0161 216 ARG 44 CA 0.0216 0.0089 -0.0130 217 ARG 44 C 0.0242 0.0135 -0.0175 218 ARG 44 O 0.0295 0.0214 -0.0191 219 ARG 44 CB 0.0231 0.0089 -0.0014 220 ARG 44 CG 0.0224 0.0068 0.0051 221 ARG 44 CD 0.0246 0.0080 0.0164 222 ARG 44 NE 0.0245 0.0066 0.0233 223 ARG 44 CZ 0.0256 0.0063 0.0336 224 ARG 44 NH1 0.0271 0.0076 0.0382 225 ARG 44 NH2 0.0253 0.0048 0.0393 226 ARG 44 H 0.0288 0.0196 -0.0150 227 ARG 44 HA 0.0167 0.0023 -0.0150 228 ARG 44 HB2 0.0276 0.0152 0.0001 229 ARG 44 HB3 0.0201 0.0044 0.0007 230 ARG 44 HG2 0.0177 0.0002 0.0042 231 ARG 44 HG3 0.0250 0.0111 0.0024 232 ARG 44 HD2 0.0292 0.0145 0.0170 233 ARG 44 HD3 0.0218 0.0035 0.0188 234 ARG 44 HE 0.0235 0.0057 0.0198 235 ARG 44 HH11 0.0274 0.0088 0.0342 236 ARG 44 HH12 0.0280 0.0075 0.0460 237 ARG 44 HH21 0.0242 0.0037 0.0363 238 ARG 44 HH22 0.0261 0.0045 0.0471 239 CYS 45 N 0.0227 0.0043 -0.0287 240 CYS 45 CA 0.0241 0.0060 -0.0307 241 CYS 45 C 0.0240 0.0052 -0.0257 242 CYS 45 O 0.0207 0.0017 -0.0239 243 CYS 45 CB 0.0215 0.0041 -0.0360 244 CYS 45 SG 0.0228 0.0057 -0.0381 245 CYS 45 H 0.0198 0.0015 -0.0284 246 CYS 45 HA 0.0273 0.0092 -0.0315 247 CYS 45 HB2 0.0221 0.0052 -0.0395 248 CYS 45 HB3 0.0183 0.0009 -0.0354 249 LEU 46 N 0.0329 0.0182 -0.0211 250 LEU 46 CA 0.0271 0.0178 0.0033 251 LEU 46 C 0.0164 0.0018 0.0040 252 LEU 46 O 0.0054 -0.0090 0.0207 253 LEU 46 CB 0.0390 0.0393 0.0135 254 LEU 46 CG 0.0498 0.0561 0.0152 255 LEU 46 CD1 0.0617 0.0771 0.0236 256 LEU 46 CD2 0.0429 0.0515 0.0317 257 LEU 46 H 0.0429 0.0306 -0.0291 258 LEU 46 HA 0.0218 0.0135 0.0142 259 LEU 46 HB2 0.0444 0.0436 0.0023 260 LEU 46 HB3 0.0344 0.0386 0.0313 261 LEU 46 HG 0.0538 0.0561 -0.0027 262 LEU 46 HD11 0.0671 0.0807 0.0107 263 LEU 46 HD12 0.0690 0.0887 0.0253 264 LEU 46 HD13 0.0574 0.0765 0.0409 265 LEU 46 HD21 0.0351 0.0373 0.0246 266 LEU 46 HD22 0.0379 0.0501 0.0495 267 LEU 46 HD23 0.0509 0.0640 0.0329 268 ALA 47 N 0.0175 0.0008 -0.0163 269 ALA 47 CA 0.0169 -0.0014 -0.0155 270 ALA 47 C 0.0192 -0.0002 -0.0154 271 ALA 47 O 0.0185 -0.0013 -0.0151 272 ALA 47 CB 0.0176 -0.0048 -0.0138 273 ALA 47 H 0.0185 0.0000 -0.0157 274 ALA 47 HA 0.0142 -0.0015 -0.0162 275 ALA 47 HB1 0.0171 -0.0065 -0.0133 276 ALA 47 HB2 0.0203 -0.0048 -0.0131 277 ALA 47 HB3 0.0160 -0.0056 -0.0139 278 CYS 48 N 0.0236 0.0057 -0.0293 279 CYS 48 CA 0.0176 0.0027 -0.0293 280 CYS 48 C 0.0159 -0.0003 -0.0231 281 CYS 48 O 0.0110 -0.0030 -0.0222 282 CYS 48 CB 0.0143 0.0026 -0.0340 283 CYS 48 SG 0.0151 0.0055 -0.0412 284 CYS 48 H 0.0258 0.0064 -0.0283 285 CYS 48 HA 0.0164 0.0025 -0.0306 286 CYS 48 HB2 0.0155 0.0033 -0.0341 287 CYS 48 HB3 0.0098 0.0004 -0.0338 288 ALA 49 N 0.0183 -0.0020 -0.0060 289 ALA 49 CA 0.0162 -0.0058 0.0053 290 ALA 49 C 0.0093 -0.0115 0.0021 291 ALA 49 O 0.0044 -0.0172 0.0098 292 ALA 49 CB 0.0124 -0.0107 0.0144 293 ALA 49 H 0.0248 0.0042 -0.0076 294 ALA 49 HA 0.0227 -0.0006 0.0095 295 ALA 49 HB1 0.0060 -0.0159 0.0102 296 ALA 49 HB2 0.0174 -0.0065 0.0165 297 ALA 49 HB3 0.0113 -0.0132 0.0228 298 ARG 50 N 0.0147 -0.0090 -0.0103 299 ARG 50 CA 0.0023 -0.0112 -0.0069 300 ARG 50 C 0.0079 -0.0138 0.0003 301 ARG 50 O 0.0198 -0.0116 -0.0030 302 ARG 50 CB -0.0071 -0.0066 -0.0198 303 ARG 50 CG -0.0144 -0.0040 -0.0273 304 ARG 50 CD -0.0236 0.0005 -0.0398 305 ARG 50 NE -0.0305 0.0031 -0.0475 306 ARG 50 CZ -0.0381 0.0075 -0.0596 307 ARG 50 NH1 -0.0404 0.0096 -0.0651 308 ARG 50 NH2 -0.0436 0.0097 -0.0658 309 ARG 50 H 0.0214 -0.0056 -0.0177 310 ARG 50 HA -0.0045 -0.0145 0.0001 311 ARG 50 HB2 -0.0001 -0.0032 -0.0269 312 ARG 50 HB3 -0.0158 -0.0084 -0.0166 313 ARG 50 HG2 -0.0217 -0.0073 -0.0203 314 ARG 50 HG3 -0.0058 -0.0021 -0.0306 315 ARG 50 HD2 -0.0163 0.0037 -0.0467 316 ARG 50 HD3 -0.0322 -0.0015 -0.0364 317 ARG 50 HE -0.0290 0.0014 -0.0431 318 ARG 50 HH11 -0.0366 0.0081 -0.0606 319 ARG 50 HH12 -0.0462 0.0129 -0.0740 320 ARG 50 HH21 -0.0423 0.0082 -0.0619 321 ARG 50 HH22 -0.0492 0.0131 -0.0750 322 TYR 51 N 0.0072 -0.0106 -0.0025 323 TYR 51 CA 0.0096 -0.0075 -0.0034 324 TYR 51 C 0.0084 -0.0091 -0.0114 325 TYR 51 O 0.0041 -0.0146 -0.0134 326 TYR 51 CB 0.0079 -0.0097 0.0032 327 TYR 51 CG 0.0087 -0.0088 0.0115 328 TYR 51 CD1 0.0051 -0.0134 0.0150 329 TYR 51 CD2 0.0129 -0.0033 0.0157 330 TYR 51 CE1 0.0058 -0.0126 0.0225 331 TYR 51 CE2 0.0135 -0.0025 0.0232 332 TYR 51 CZ 0.0100 -0.0072 0.0265 333 TYR 51 OH 0.0106 -0.0064 0.0340 334 TYR 51 H 0.0037 -0.0151 -0.0015 335 TYR 51 HA 0.0135 -0.0025 -0.0028 336 TYR 51 HB2 0.0041 -0.0147 0.0024 337 TYR 51 HB3 0.0099 -0.0072 0.0027 338 TYR 51 HD1 0.0018 -0.0177 0.0119 339 TYR 51 HD2 0.0157 0.0004 0.0130 340 TYR 51 HE1 0.0030 -0.0163 0.0252 341 TYR 51 HE2 0.0168 0.0018 0.0264 342 TYR 51 HH 0.0075 -0.0104 0.0368 343 PHE 52 N 0.0106 0.0011 -0.0184 344 PHE 52 CA 0.0090 0.0017 -0.0168 345 PHE 52 C 0.0091 0.0001 -0.0131 346 PHE 52 O 0.0112 -0.0021 -0.0123 347 PHE 52 CB 0.0103 0.0014 -0.0187 348 PHE 52 CG 0.0103 0.0030 -0.0224 349 PHE 52 CD1 0.0125 0.0023 -0.0248 350 PHE 52 CD2 0.0082 0.0053 -0.0234 351 PHE 52 CE1 0.0125 0.0038 -0.0282 352 PHE 52 CE2 0.0082 0.0068 -0.0269 353 PHE 52 CZ 0.0104 0.0060 -0.0293 354 PHE 52 H 0.0126 -0.0005 -0.0187 355 PHE 52 HA 0.0069 0.0036 -0.0170 356 PHE 52 HB2 0.0125 -0.0005 -0.0185 357 PHE 52 HB3 0.0091 0.0019 -0.0174 358 PHE 52 HD1 0.0141 0.0005 -0.0240 359 PHE 52 HD2 0.0066 0.0059 -0.0216 360 PHE 52 HE1 0.0141 0.0032 -0.0301 361 PHE 52 HE2 0.0066 0.0085 -0.0277 362 PHE 52 HZ 0.0104 0.0072 -0.0319 363 ILE 53 N 0.0147 -0.0022 -0.0161 364 ILE 53 CA 0.0140 -0.0013 -0.0231 365 ILE 53 C 0.0080 0.0020 -0.0244 366 ILE 53 O 0.0056 0.0037 -0.0298 367 ILE 53 CB 0.0189 -0.0038 -0.0257 368 ILE 53 CG1 0.0191 -0.0042 -0.0216 369 ILE 53 CG2 0.0249 -0.0070 -0.0259 370 ILE 53 CD1 0.0237 -0.0065 -0.0240 371 ILE 53 H 0.0179 -0.0041 -0.0139 372 ILE 53 HA 0.0144 -0.0013 -0.0258 373 ILE 53 HB 0.0179 -0.0029 -0.0308 374 ILE 53 HG12 0.0200 -0.0051 -0.0164 375 ILE 53 HG13 0.0148 -0.0019 -0.0217 376 ILE 53 HG21 0.0258 -0.0079 -0.0209 377 ILE 53 HG22 0.0247 -0.0067 -0.0291 378 ILE 53 HG23 0.0283 -0.0087 -0.0277 379 ILE 53 HD11 0.0228 -0.0057 -0.0290 380 ILE 53 HD12 0.0236 -0.0067 -0.0207 381 ILE 53 HD13 0.0280 -0.0089 -0.0239 382 ASP 54 N 0.0048 0.0003 -0.0192 383 ASP 54 CA -0.0027 -0.0034 -0.0167 384 ASP 54 C -0.0051 -0.0031 -0.0129 385 ASP 54 O -0.0009 0.0008 -0.0101 386 ASP 54 CB -0.0051 -0.0023 -0.0111 387 ASP 54 CG -0.0129 -0.0061 -0.0086 388 ASP 54 OD1 -0.0162 -0.0101 -0.0126 389 ASP 54 OD2 -0.0158 -0.0051 -0.0024 390 ASP 54 H 0.0077 0.0034 -0.0164 391 ASP 54 HA -0.0050 -0.0070 -0.0215 392 ASP 54 HB2 -0.0031 -0.0023 -0.0138 393 ASP 54 HB3 -0.0029 0.0013 -0.0062 394 SER 55 N -0.0066 -0.0095 -0.0048 395 SER 55 CA -0.0092 -0.0156 -0.0055 396 SER 55 C -0.0082 -0.0141 0.0029 397 SER 55 O -0.0086 -0.0149 0.0015 398 SER 55 CB -0.0133 -0.0254 -0.0055 399 SER 55 OG -0.0160 -0.0318 -0.0057 400 SER 55 H -0.0077 -0.0121 -0.0038 401 SER 55 HA -0.0089 -0.0143 -0.0122 402 SER 55 HB2 -0.0139 -0.0262 -0.0120 403 SER 55 HB3 -0.0136 -0.0267 0.0007 404 SER 55 HG -0.0163 -0.0333 0.0009 405 THR 56 N -0.0206 -0.0209 0.0111 406 THR 56 CA -0.0217 -0.0139 0.0236 407 THR 56 C -0.0164 0.0028 0.0182 408 THR 56 O -0.0159 0.0065 0.0200 409 THR 56 CB -0.0249 -0.0115 0.0403 410 THR 56 OG1 -0.0295 -0.0267 0.0442 411 THR 56 CG2 -0.0268 -0.0064 0.0541 412 THR 56 H -0.0216 -0.0223 0.0144 413 THR 56 HA -0.0240 -0.0223 0.0248 414 THR 56 HB -0.0223 -0.0018 0.0389 415 THR 56 HG1 -0.0282 -0.0269 0.0381 416 THR 56 HG21 -0.0290 -0.0046 0.0657 417 THR 56 HG22 -0.0294 -0.0159 0.0552 418 THR 56 HG23 -0.0234 0.0051 0.0512 419 ASN 57 N -0.0092 0.0005 0.0088 420 ASN 57 CA -0.0052 0.0095 0.0058 421 ASN 57 C -0.0039 0.0082 -0.0023 422 ASN 57 O -0.0019 0.0136 -0.0025 423 ASN 57 CB -0.0023 0.0153 0.0024 424 ASN 57 CG -0.0022 0.0207 0.0108 425 ASN 57 OD1 0.0002 0.0288 0.0137 426 ASN 57 ND2 -0.0047 0.0164 0.0149 427 ASN 57 H -0.0095 -0.0013 0.0070 428 ASN 57 HA -0.0052 0.0133 0.0121 429 ASN 57 HB2 -0.0034 0.0103 -0.0012 430 ASN 57 HB3 0.0006 0.0201 -0.0029 431 ASN 57 HD21 -0.0065 0.0099 0.0126 432 ASN 57 HD22 -0.0046 0.0199 0.0203 433 LEU 58 N -0.0001 0.0036 -0.0124 434 LEU 58 CA 0.0029 0.0030 -0.0171 435 LEU 58 C 0.0025 0.0032 -0.0165 436 LEU 58 O 0.0043 0.0066 -0.0190 437 LEU 58 CB 0.0043 -0.0027 -0.0199 438 LEU 58 CG 0.0072 -0.0048 -0.0247 439 LEU 58 CD1 0.0063 -0.0081 -0.0237 440 LEU 58 CD2 0.0097 0.0003 -0.0281 441 LEU 58 H -0.0011 0.0002 -0.0112 442 LEU 58 HA 0.0045 0.0068 -0.0192 443 LEU 58 HB2 0.0049 -0.0020 -0.0208 444 LEU 58 HB3 0.0024 -0.0062 -0.0173 445 LEU 58 HG 0.0083 -0.0079 -0.0268 446 LEU 58 HD11 0.0084 -0.0095 -0.0272 447 LEU 58 HD12 0.0052 -0.0053 -0.0216 448 LEU 58 HD13 0.0047 -0.0119 -0.0216 449 LEU 58 HD21 0.0087 0.0034 -0.0262 450 LEU 58 HD22 0.0118 -0.0013 -0.0315 451 LEU 58 HD23 0.0104 0.0025 -0.0289 452 LYS 59 N -0.0072 -0.0096 -0.0057 453 LYS 59 CA -0.0083 -0.0110 -0.0038 454 LYS 59 C -0.0097 -0.0003 0.0008 455 LYS 59 O -0.0085 0.0022 -0.0014 456 LYS 59 CB -0.0122 -0.0212 0.0026 457 LYS 59 CG -0.0174 -0.0207 0.0131 458 LYS 59 CD -0.0209 -0.0315 0.0185 459 LYS 59 CE -0.0221 -0.0338 0.0204 460 LYS 59 NZ -0.0249 -0.0253 0.0273 461 LYS 59 H -0.0091 -0.0141 -0.0026 462 LYS 59 HA -0.0048 -0.0124 -0.0110 463 LYS 59 HB2 -0.0127 -0.0224 0.0033 464 LYS 59 HB3 -0.0109 -0.0285 -0.0012 465 LYS 59 HG2 -0.0170 -0.0192 0.0125 466 LYS 59 HG3 -0.0190 -0.0138 0.0173 467 LYS 59 HD2 -0.0191 -0.0383 0.0138 468 LYS 59 HD3 -0.0244 -0.0311 0.0255 469 LYS 59 HE2 -0.0186 -0.0339 0.0134 470 LYS 59 HE3 -0.0243 -0.0418 0.0237 471 LYS 59 HZ1 -0.0284 -0.0254 0.0343 472 LYS 59 HZ2 -0.0255 -0.0271 0.0284 473 LYS 59 HZ3 -0.0230 -0.0172 0.0247 474 THR 60 N -0.0137 -0.0009 0.0071 475 THR 60 CA -0.0191 0.0057 0.0045 476 THR 60 C -0.0192 0.0105 -0.0025 477 THR 60 O -0.0207 0.0154 -0.0076 478 THR 60 CB -0.0264 0.0076 0.0111 479 THR 60 OG1 -0.0262 0.0031 0.0175 480 THR 60 CG2 -0.0321 0.0145 0.0086 481 THR 60 H -0.0151 -0.0032 0.0123 482 THR 60 HA -0.0178 0.0057 0.0027 483 THR 60 HB -0.0273 0.0073 0.0128 484 THR 60 HG1 -0.0235 -0.0010 0.0199 485 THR 60 HG21 -0.0371 0.0156 0.0134 486 THR 60 HG22 -0.0309 0.0147 0.0067 487 THR 60 HG23 -0.0323 0.0179 0.0039 488 HIS 61 N -0.0038 0.0039 -0.0130 489 HIS 61 CA -0.0005 0.0073 -0.0172 490 HIS 61 C 0.0004 0.0066 -0.0192 491 HIS 61 O 0.0025 0.0106 -0.0210 492 HIS 61 CB 0.0016 0.0058 -0.0217 493 HIS 61 CG 0.0049 0.0074 -0.0268 494 HIS 61 ND1 0.0071 0.0129 -0.0280 495 HIS 61 CD2 0.0064 0.0041 -0.0311 496 HIS 61 CE1 0.0097 0.0128 -0.0327 497 HIS 61 NE2 0.0093 0.0076 -0.0346 498 HIS 61 H -0.0043 0.0008 -0.0136 499 HIS 61 HA -0.0002 0.0117 -0.0156 500 HIS 61 HB2 0.0016 0.0081 -0.0206 501 HIS 61 HB3 0.0006 0.0013 -0.0221 502 HIS 61 HD1 0.0068 0.0164 -0.0257 503 HIS 61 HD2 0.0054 -0.0006 -0.0316 504 HIS 61 HE1 0.0119 0.0161 -0.0350 505 PHE 62 N 0.0022 0.0056 -0.0061 506 PHE 62 CA 0.0023 0.0055 -0.0065 507 PHE 62 C 0.0010 0.0075 -0.0026 508 PHE 62 O 0.0008 0.0076 -0.0022 509 PHE 62 CB 0.0007 0.0014 -0.0081 510 PHE 62 CG 0.0015 -0.0011 -0.0117 511 PHE 62 CD1 0.0046 -0.0000 -0.0149 512 PHE 62 CD2 -0.0008 -0.0047 -0.0118 513 PHE 62 CE1 0.0053 -0.0024 -0.0182 514 PHE 62 CE2 -0.0001 -0.0071 -0.0150 515 PHE 62 CZ 0.0029 -0.0059 -0.0183 516 PHE 62 H 0.0003 0.0034 -0.0056 517 PHE 62 HA 0.0048 0.0071 -0.0084 518 PHE 62 HB2 -0.0018 -0.0001 -0.0060 519 PHE 62 HB3 0.0015 0.0018 -0.0088 520 PHE 62 HD1 0.0064 0.0028 -0.0148 521 PHE 62 HD2 -0.0032 -0.0056 -0.0093 522 PHE 62 HE1 0.0077 -0.0014 -0.0207 523 PHE 62 HE2 -0.0020 -0.0098 -0.0150 524 PHE 62 HZ 0.0034 -0.0079 -0.0208 525 ARG 63 N -0.0041 0.0069 0.0196 526 ARG 63 CA -0.0099 0.0165 0.0022 527 ARG 63 C -0.0116 0.0159 0.0007 528 ARG 63 O -0.0170 0.0226 -0.0132 529 ARG 63 CB -0.0242 0.0111 -0.0107 530 ARG 63 CG -0.0221 0.0151 -0.0121 531 ARG 63 CD -0.0367 0.0094 -0.0249 532 ARG 63 NE -0.0438 0.0171 -0.0420 533 ARG 63 CZ -0.0554 0.0164 -0.0563 534 ARG 63 NH1 -0.0608 0.0092 -0.0559 535 ARG 63 NH2 -0.0612 0.0232 -0.0709 536 ARG 63 H -0.0107 -0.0042 0.0225 537 ARG 63 HA -0.0014 0.0296 -0.0004 538 ARG 63 HB2 -0.0321 -0.0024 -0.0070 539 ARG 63 HB3 -0.0287 0.0176 -0.0232 540 ARG 63 HG2 -0.0145 0.0287 -0.0162 541 ARG 63 HG3 -0.0175 0.0088 0.0003 542 ARG 63 HD2 -0.0345 0.0129 -0.0257 543 ARG 63 HD3 -0.0441 -0.0043 -0.0205 544 ARG 63 HE -0.0396 0.0228 -0.0426 545 ARG 63 HH11 -0.0565 0.0042 -0.0451 546 ARG 63 HH12 -0.0696 0.0085 -0.0665 547 ARG 63 HH21 -0.0572 0.0289 -0.0715 548 ARG 63 HH22 -0.0700 0.0231 -0.0820 549 SER 64 N -0.0085 0.0044 0.0032 550 SER 64 CA -0.0072 0.0040 0.0053 551 SER 64 C -0.0097 0.0039 0.0070 552 SER 64 O -0.0112 0.0042 0.0058 553 SER 64 CB -0.0055 0.0040 0.0038 554 SER 64 OG -0.0036 0.0042 0.0016 555 SER 64 H -0.0088 0.0046 0.0013 556 SER 64 HA -0.0058 0.0037 0.0066 557 SER 64 HB2 -0.0069 0.0043 0.0028 558 SER 64 HB3 -0.0042 0.0037 0.0053 559 SER 64 HG -0.0020 0.0039 0.0025 560 LYS 65 N -0.0169 0.0009 0.0105 561 LYS 65 CA -0.0114 0.0022 0.0074 562 LYS 65 C -0.0121 0.0020 0.0079 563 LYS 65 O -0.0071 0.0028 0.0086 564 LYS 65 CB -0.0101 0.0032 0.0000 565 LYS 65 CG -0.0161 0.0026 -0.0050 566 LYS 65 CD -0.0191 0.0022 -0.0065 567 LYS 65 CE -0.0250 0.0016 -0.0114 568 LYS 65 NZ -0.0283 0.0012 -0.0128 569 LYS 65 H -0.0197 0.0007 0.0078 570 LYS 65 HA -0.0071 0.0026 0.0105 571 LYS 65 HB2 -0.0065 0.0040 -0.0021 572 LYS 65 HB3 -0.0078 0.0035 0.0003 573 LYS 65 HG2 -0.0144 0.0033 -0.0096 574 LYS 65 HG3 -0.0198 0.0017 -0.0028 575 LYS 65 HD2 -0.0208 0.0014 -0.0019 576 LYS 65 HD3 -0.0154 0.0031 -0.0088 577 LYS 65 HE2 -0.0232 0.0024 -0.0161 578 LYS 65 HE3 -0.0285 0.0008 -0.0093 579 LYS 65 HZ1 -0.0251 0.0019 -0.0147 580 LYS 65 HZ2 -0.0303 0.0004 -0.0084 581 LYS 65 HZ3 -0.0322 0.0008 -0.0162 582 ASP 66 N -0.0101 -0.0022 0.0085 583 ASP 66 CA -0.0110 -0.0022 0.0079 584 ASP 66 C -0.0099 -0.0024 0.0115 585 ASP 66 O -0.0089 -0.0024 0.0113 586 ASP 66 CB -0.0154 -0.0021 0.0068 587 ASP 66 CG -0.0164 -0.0020 0.0054 588 ASP 66 OD1 -0.0162 -0.0018 0.0018 589 ASP 66 OD2 -0.0175 -0.0022 0.0079 590 ASP 66 H -0.0123 -0.0022 0.0088 591 ASP 66 HA -0.0092 -0.0020 0.0054 592 ASP 66 HB2 -0.0162 -0.0020 0.0046 593 ASP 66 HB3 -0.0171 -0.0023 0.0095 594 HIS 67 N 0.0005 -0.0006 0.0153 595 HIS 67 CA -0.0003 -0.0010 0.0103 596 HIS 67 C -0.0055 -0.0014 0.0099 597 HIS 67 O -0.0062 -0.0015 0.0084 598 HIS 67 CB 0.0004 -0.0011 0.0064 599 HIS 67 CG 0.0000 -0.0015 0.0012 600 HIS 67 ND1 0.0016 -0.0014 -0.0003 601 HIS 67 CD2 -0.0002 -0.0017 -0.0027 602 HIS 67 CE1 0.0025 -0.0016 -0.0050 603 HIS 67 NE2 0.0015 -0.0018 -0.0066 604 HIS 67 H 0.0012 -0.0005 0.0158 605 HIS 67 HA 0.0022 -0.0008 0.0096 606 HIS 67 HB2 0.0041 -0.0008 0.0063 607 HIS 67 HB3 -0.0023 -0.0013 0.0068 608 HIS 67 HD1 0.0021 -0.0013 0.0017 609 HIS 67 HD2 -0.0022 -0.0018 -0.0024 610 HIS 67 HE1 0.0038 -0.0017 -0.0074 611 LYS 68 N -0.0042 -0.0038 0.0083 612 LYS 68 CA -0.0042 -0.0023 0.0085 613 LYS 68 C -0.0028 -0.0001 0.0100 614 LYS 68 O -0.0018 0.0008 0.0109 615 LYS 68 CB -0.0065 -0.0014 0.0070 616 LYS 68 CG -0.0080 -0.0037 0.0055 617 LYS 68 CD -0.0103 -0.0026 0.0039 618 LYS 68 CE -0.0113 -0.0007 0.0036 619 LYS 68 NZ -0.0136 0.0002 0.0020 620 LYS 68 H -0.0056 -0.0037 0.0073 621 LYS 68 HA -0.0035 -0.0037 0.0088 622 LYS 68 HB2 -0.0071 0.0001 0.0068 623 LYS 68 HB3 -0.0066 -0.0004 0.0071 624 LYS 68 HG2 -0.0074 -0.0054 0.0057 625 LYS 68 HG3 -0.0080 -0.0047 0.0053 626 LYS 68 HD2 -0.0104 -0.0016 0.0041 627 LYS 68 HD3 -0.0113 -0.0043 0.0029 628 LYS 68 HE2 -0.0112 -0.0017 0.0035 629 LYS 68 HE3 -0.0104 0.0010 0.0046 630 LYS 68 HZ1 -0.0138 0.0013 0.0021 631 LYS 68 HZ2 -0.0143 0.0015 0.0018 632 LYS 68 HZ3 -0.0145 -0.0014 0.0011 633 LYS 69 N -0.0041 -0.0061 0.0146 634 LYS 69 CA -0.0038 -0.0063 0.0103 635 LYS 69 C -0.0046 -0.0057 0.0092 636 LYS 69 O -0.0028 -0.0069 0.0068 637 LYS 69 CB -0.0064 -0.0045 0.0085 638 LYS 69 CG -0.0073 -0.0037 0.0042 639 LYS 69 CD -0.0102 -0.0018 0.0034 640 LYS 69 CE -0.0117 -0.0007 -0.0007 641 LYS 69 NZ -0.0145 0.0013 -0.0011 642 LYS 69 H -0.0056 -0.0051 0.0156 643 LYS 69 HA -0.0014 -0.0079 0.0092 644 LYS 69 HB2 -0.0054 -0.0051 0.0087 645 LYS 69 HB3 -0.0086 -0.0030 0.0104 646 LYS 69 HG2 -0.0081 -0.0032 0.0041 647 LYS 69 HG3 -0.0053 -0.0052 0.0022 648 LYS 69 HD2 -0.0092 -0.0024 0.0036 649 LYS 69 HD3 -0.0121 -0.0005 0.0056 650 LYS 69 HE2 -0.0125 -0.0001 -0.0011 651 LYS 69 HE3 -0.0098 -0.0019 -0.0030 652 LYS 69 HZ1 -0.0157 0.0021 -0.0039 653 LYS 69 HZ2 -0.0163 0.0025 0.0012 654 LYS 69 HZ3 -0.0138 0.0008 -0.0007 655 ARG 70 N -0.0018 -0.0112 0.0059 656 ARG 70 CA -0.0050 -0.0094 0.0046 657 ARG 70 C -0.0027 -0.0102 0.0065 658 ARG 70 O -0.0038 -0.0106 0.0042 659 ARG 70 CB -0.0091 -0.0051 0.0067 660 ARG 70 CG -0.0129 -0.0032 0.0050 661 ARG 70 CD -0.0147 -0.0048 -0.0007 662 ARG 70 NE -0.0182 -0.0031 -0.0025 663 ARG 70 CZ -0.0191 -0.0049 -0.0070 664 ARG 70 NH1 -0.0167 -0.0085 -0.0102 665 ARG 70 NH2 -0.0224 -0.0031 -0.0083 666 ARG 70 H -0.0021 -0.0095 0.0085 667 ARG 70 HA -0.0063 -0.0107 0.0005 668 ARG 70 HB2 -0.0104 -0.0046 0.0058 669 ARG 70 HB3 -0.0077 -0.0039 0.0108 670 ARG 70 HG2 -0.0156 -0.0002 0.0066 671 ARG 70 HG3 -0.0115 -0.0035 0.0063 672 ARG 70 HD2 -0.0120 -0.0078 -0.0023 673 ARG 70 HD3 -0.0162 -0.0044 -0.0020 674 ARG 70 HE -0.0201 -0.0005 -0.0002 675 ARG 70 HH11 -0.0141 -0.0100 -0.0094 676 ARG 70 HH12 -0.0172 -0.0099 -0.0135 677 ARG 70 HH21 -0.0243 -0.0004 -0.0060 678 ARG 70 HH22 -0.0232 -0.0043 -0.0116 679 LEU 71 N 0.0008 -0.0098 0.0073 680 LEU 71 CA 0.0002 -0.0102 0.0067 681 LEU 71 C -0.0004 -0.0109 0.0067 682 LEU 71 O -0.0008 -0.0112 0.0060 683 LEU 71 CB 0.0001 -0.0104 0.0069 684 LEU 71 CG 0.0007 -0.0098 0.0069 685 LEU 71 CD1 0.0005 -0.0100 0.0071 686 LEU 71 CD2 0.0011 -0.0094 0.0060 687 LEU 71 H 0.0009 -0.0097 0.0079 688 LEU 71 HA 0.0004 -0.0100 0.0059 689 LEU 71 HB2 -0.0001 -0.0106 0.0076 690 LEU 71 HB3 -0.0003 -0.0107 0.0064 691 LEU 71 HG 0.0011 -0.0095 0.0075 692 LEU 71 HD11 0.0001 -0.0103 0.0066 693 LEU 71 HD12 0.0003 -0.0103 0.0078 694 LEU 71 HD13 0.0010 -0.0096 0.0071 695 LEU 71 HD21 0.0013 -0.0092 0.0059 696 LEU 71 HD22 0.0007 -0.0097 0.0054 697 LEU 71 HD23 0.0015 -0.0090 0.0060 698 LYS 72 N 0.0026 -0.0126 0.0028 699 LYS 72 CA 0.0001 -0.0162 0.0030 700 LYS 72 C -0.0001 -0.0158 -0.0003 701 LYS 72 O -0.0023 -0.0185 -0.0028 702 LYS 72 CB 0.0002 -0.0173 0.0081 703 LYS 72 CG -0.0023 -0.0211 0.0088 704 LYS 72 CD -0.0022 -0.0221 0.0140 705 LYS 72 CE -0.0047 -0.0259 0.0148 706 LYS 72 NZ -0.0047 -0.0270 0.0198 707 LYS 72 H 0.0040 -0.0112 0.0056 708 LYS 72 HA -0.0016 -0.0185 0.0019 709 LYS 72 HB2 0.0004 -0.0175 0.0104 710 LYS 72 HB3 0.0020 -0.0149 0.0092 711 LYS 72 HG2 -0.0024 -0.0208 0.0068 712 LYS 72 HG3 -0.0041 -0.0235 0.0076 713 LYS 72 HD2 -0.0021 -0.0223 0.0161 714 LYS 72 HD3 -0.0004 -0.0197 0.0152 715 LYS 72 HE2 -0.0048 -0.0256 0.0129 716 LYS 72 HE3 -0.0065 -0.0282 0.0134 717 LYS 72 HZ1 -0.0030 -0.0248 0.0213 718 LYS 72 HZ2 -0.0046 -0.0273 0.0218 719 LYS 72 HZ3 -0.0064 -0.0296 0.0203 720 GLN 73 N 0.0036 -0.0161 -0.0005 721 GLN 73 CA 0.0027 -0.0152 -0.0051 722 GLN 73 C 0.0032 -0.0157 -0.0027 723 GLN 73 O 0.0055 -0.0167 -0.0056 724 GLN 73 CB -0.0026 -0.0120 -0.0075 725 GLN 73 CG -0.0033 -0.0112 -0.0103 726 GLN 73 CD -0.0087 -0.0080 -0.0124 727 GLN 73 OE1 -0.0125 -0.0061 -0.0100 728 GLN 73 NE2 -0.0092 -0.0073 -0.0170 729 GLN 73 H 0.0008 -0.0147 0.0010 730 GLN 73 HA 0.0056 -0.0165 -0.0086 731 GLN 73 HB2 -0.0054 -0.0107 -0.0040 732 GLN 73 HB3 -0.0031 -0.0113 -0.0108 733 GLN 73 HG2 -0.0007 -0.0124 -0.0140 734 GLN 73 HG3 -0.0027 -0.0119 -0.0071 735 GLN 73 HE21 -0.0061 -0.0089 -0.0188 736 GLN 73 HE22 -0.0126 -0.0052 -0.0185 737 LEU 74 N 0.0039 -0.0157 0.0011 738 LEU 74 CA 0.0044 -0.0168 0.0050 739 LEU 74 C 0.0091 -0.0178 0.0073 740 LEU 74 O 0.0105 -0.0187 0.0102 741 LEU 74 CB 0.0003 -0.0176 0.0081 742 LEU 74 CG -0.0001 -0.0188 0.0122 743 LEU 74 CD1 -0.0003 -0.0183 0.0107 744 LEU 74 CD2 -0.0044 -0.0194 0.0150 745 LEU 74 H 0.0019 -0.0156 0.0013 746 LEU 74 HA 0.0044 -0.0165 0.0038 747 LEU 74 HB2 -0.0029 -0.0169 0.0062 748 LEU 74 HB3 0.0007 -0.0180 0.0093 749 LEU 74 HG 0.0029 -0.0195 0.0142 750 LEU 74 HD11 -0.0006 -0.0192 0.0136 751 LEU 74 HD12 -0.0032 -0.0176 0.0085 752 LEU 74 HD13 0.0029 -0.0179 0.0089 753 LEU 74 HD21 -0.0075 -0.0187 0.0130 754 LEU 74 HD22 -0.0046 -0.0202 0.0178 755 LEU 74 HD23 -0.0042 -0.0198 0.0162 756 SER 75 N 0.0088 -0.0190 0.0063 757 SER 75 CA 0.0131 -0.0204 0.0080 758 SER 75 C 0.0112 -0.0246 0.0124 759 SER 75 O 0.0148 -0.0267 0.0149 760 SER 75 CB 0.0194 -0.0201 0.0082 761 SER 75 OG 0.0236 -0.0212 0.0096 762 SER 75 H 0.0061 -0.0171 0.0040 763 SER 75 HA 0.0128 -0.0184 0.0059 764 SER 75 HB2 0.0205 -0.0171 0.0051 765 SER 75 HB3 0.0196 -0.0221 0.0104 766 SER 75 HG 0.0269 -0.0192 0.0078 767 VAL 76 N 0.0057 -0.0203 0.0060 768 VAL 76 CA 0.0066 -0.0185 0.0066 769 VAL 76 C 0.0080 -0.0191 0.0074 770 VAL 76 O 0.0079 -0.0185 0.0074 771 VAL 76 CB 0.0074 -0.0174 0.0072 772 VAL 76 CG1 0.0084 -0.0156 0.0079 773 VAL 76 CG2 0.0061 -0.0168 0.0065 774 VAL 76 H 0.0057 -0.0207 0.0060 775 VAL 76 HA 0.0056 -0.0175 0.0062 776 VAL 76 HB 0.0083 -0.0185 0.0076 777 VAL 76 HG11 0.0089 -0.0149 0.0083 778 VAL 76 HG12 0.0075 -0.0146 0.0075 779 VAL 76 HG13 0.0094 -0.0161 0.0084 780 VAL 76 HG21 0.0067 -0.0161 0.0069 781 VAL 76 HG22 0.0054 -0.0181 0.0061 782 VAL 76 HG23 0.0051 -0.0158 0.0061 783 GLU 77 N 0.0059 -0.0158 0.0066 784 GLU 77 CA 0.0055 -0.0160 0.0068 785 GLU 77 C 0.0053 -0.0160 0.0074 786 GLU 77 O 0.0054 -0.0158 0.0078 787 GLU 77 CB 0.0055 -0.0160 0.0069 788 GLU 77 CG 0.0059 -0.0156 0.0072 789 GLU 77 CD 0.0059 -0.0156 0.0072 790 GLU 77 OE1 0.0060 -0.0156 0.0068 791 GLU 77 OE2 0.0058 -0.0156 0.0077 792 GLU 77 H 0.0061 -0.0156 0.0068 793 GLU 77 HA 0.0052 -0.0163 0.0065 794 GLU 77 HB2 0.0052 -0.0162 0.0071 795 GLU 77 HB3 0.0055 -0.0160 0.0065 796 GLU 77 HG2 0.0062 -0.0155 0.0069 797 GLU 77 HG3 0.0059 -0.0156 0.0076 798 PRO 78 N 0.0041 -0.0176 0.0082 799 PRO 78 CA 0.0029 -0.0143 0.0089 800 PRO 78 C -0.0008 -0.0143 0.0083 801 PRO 78 O -0.0020 -0.0161 0.0075 802 PRO 78 CB 0.0047 -0.0136 0.0095 803 PRO 78 CG 0.0075 -0.0160 0.0093 804 PRO 78 CD 0.0063 -0.0190 0.0082 805 PRO 78 HA 0.0035 -0.0127 0.0095 806 PRO 78 HB2 0.0030 -0.0137 0.0091 807 PRO 78 HB3 0.0056 -0.0111 0.0103 808 PRO 78 HG2 0.0080 -0.0165 0.0092 809 PRO 78 HG3 0.0096 -0.0152 0.0099 810 PRO 78 HD2 0.0049 -0.0204 0.0076 811 PRO 78 HD3 0.0083 -0.0204 0.0082 812 TYR 79 N -0.0051 -0.0072 0.0092 813 TYR 79 CA -0.0042 -0.0062 0.0056 814 TYR 79 C -0.0018 -0.0068 0.0013 815 TYR 79 O -0.0027 -0.0043 -0.0014 816 TYR 79 CB -0.0072 -0.0022 0.0049 817 TYR 79 CG -0.0094 -0.0018 0.0090 818 TYR 79 CD1 -0.0119 -0.0006 0.0124 819 TYR 79 CD2 -0.0089 -0.0027 0.0094 820 TYR 79 CE1 -0.0139 -0.0003 0.0161 821 TYR 79 CE2 -0.0108 -0.0023 0.0131 822 TYR 79 CZ -0.0133 -0.0011 0.0164 823 TYR 79 OH -0.0153 -0.0008 0.0202 824 TYR 79 H -0.0043 -0.0095 0.0117 825 TYR 79 HA -0.0029 -0.0084 0.0066 826 TYR 79 HB2 -0.0086 -0.0001 0.0043 827 TYR 79 HB3 -0.0063 -0.0017 0.0021 828 TYR 79 HD1 -0.0123 0.0001 0.0121 829 TYR 79 HD2 -0.0069 -0.0036 0.0068 830 TYR 79 HE1 -0.0158 0.0007 0.0187 831 TYR 79 HE2 -0.0104 -0.0030 0.0134 832 TYR 79 HH -0.0138 -0.0032 0.0211 833 SER 80 N -0.0037 -0.0043 0.0060 834 SER 80 CA -0.0046 -0.0053 0.0062 835 SER 80 C -0.0054 -0.0051 0.0051 836 SER 80 O -0.0051 -0.0042 0.0044 837 SER 80 CB -0.0052 -0.0060 0.0063 838 SER 80 OG -0.0061 -0.0071 0.0066 839 SER 80 H -0.0038 -0.0039 0.0054 840 SER 80 HA -0.0043 -0.0057 0.0070 841 SER 80 HB2 -0.0046 -0.0061 0.0070 842 SER 80 HB3 -0.0056 -0.0056 0.0055 843 SER 80 HG -0.0057 -0.0075 0.0074 844 GLN 81 N -0.0075 -0.0025 0.0055 845 GLN 81 CA -0.0081 -0.0024 0.0048 846 GLN 81 C -0.0084 -0.0020 0.0040 847 GLN 81 O -0.0084 -0.0021 0.0040 848 GLN 81 CB -0.0088 -0.0033 0.0050 849 GLN 81 CG -0.0093 -0.0033 0.0043 850 GLN 81 CD -0.0101 -0.0042 0.0044 851 GLN 81 OE1 -0.0104 -0.0048 0.0047 852 GLN 81 NE2 -0.0104 -0.0043 0.0042 853 GLN 81 H -0.0076 -0.0030 0.0060 854 GLN 81 HA -0.0078 -0.0021 0.0048 855 GLN 81 HB2 -0.0085 -0.0036 0.0056 856 GLN 81 HB3 -0.0091 -0.0037 0.0049 857 GLN 81 HG2 -0.0095 -0.0030 0.0037 858 GLN 81 HG3 -0.0090 -0.0030 0.0044 859 GLN 81 HE21 -0.0101 -0.0038 0.0040 860 GLN 81 HE22 -0.0109 -0.0048 0.0042 861 GLU 82 N -0.0091 0.0014 0.0045 862 GLU 82 CA -0.0114 0.0058 -0.0001 863 GLU 82 C -0.0049 0.0062 -0.0057 864 GLU 82 O -0.0055 0.0095 -0.0100 865 GLU 82 CB -0.0175 0.0109 -0.0025 866 GLU 82 CG -0.0205 0.0157 -0.0071 867 GLU 82 CD -0.0266 0.0203 -0.0089 868 GLU 82 OE1 -0.0254 0.0226 -0.0132 869 GLU 82 OE2 -0.0328 0.0217 -0.0061 870 GLU 82 H -0.0085 -0.0018 0.0087 871 GLU 82 HA -0.0133 0.0048 0.0029 872 GLU 82 HB2 -0.0219 0.0103 0.0018 873 GLU 82 HB3 -0.0156 0.0117 -0.0051 874 GLU 82 HG2 -0.0163 0.0165 -0.0116 875 GLU 82 HG3 -0.0223 0.0149 -0.0046 876 GLU 83 N -0.0005 -0.0008 -0.0024 877 GLU 83 CA 0.0012 -0.0011 -0.0038 878 GLU 83 C 0.0055 0.0024 -0.0015 879 GLU 83 O 0.0099 0.0026 -0.0038 880 GLU 83 CB -0.0033 -0.0023 -0.0028 881 GLU 83 CG -0.0019 -0.0026 -0.0041 882 GLU 83 CD -0.0066 -0.0042 -0.0035 883 GLU 83 OE1 -0.0089 -0.0024 0.0003 884 GLU 83 OE2 -0.0082 -0.0074 -0.0069 885 GLU 83 H -0.0015 0.0011 0.0008 886 GLU 83 HA 0.0028 -0.0031 -0.0074 887 GLU 83 HB2 -0.0061 -0.0048 -0.0046 888 GLU 83 HB3 -0.0051 -0.0004 0.0008 889 GLU 83 HG2 0.0005 -0.0001 -0.0020 890 GLU 83 HG3 0.0001 -0.0043 -0.0076 891 ALA 84 N 0.0059 0.0014 -0.0003 892 ALA 84 CA 0.0099 0.0029 0.0024 893 ALA 84 C 0.0109 0.0042 0.0053 894 ALA 84 O 0.0132 0.0058 0.0087 895 ALA 84 CB 0.0089 0.0039 0.0052 896 ALA 84 H 0.0027 0.0015 0.0010 897 ALA 84 HA 0.0129 0.0024 0.0003 898 ALA 84 HB1 0.0118 0.0050 0.0072 899 ALA 84 HB2 0.0058 0.0043 0.0072 900 ALA 84 HB3 0.0085 0.0030 0.0030 901 GLU 85 N 0.0098 0.0050 0.0043 902 GLU 85 CA 0.0082 0.0044 0.0058 903 GLU 85 C 0.0050 0.0043 0.0021 904 GLU 85 O 0.0013 0.0035 0.0019 905 GLU 85 CB 0.0059 0.0032 0.0102 906 GLU 85 CG 0.0048 0.0026 0.0126 907 GLU 85 CD 0.0011 0.0021 0.0106 908 GLU 85 OE1 -0.0028 0.0011 0.0117 909 GLU 85 OE2 0.0018 0.0027 0.0080 910 GLU 85 H 0.0084 0.0051 0.0016 911 GLU 85 HA 0.0108 0.0049 0.0061 912 GLU 85 HB2 0.0080 0.0034 0.0123 913 GLU 85 HB3 0.0030 0.0027 0.0095 914 GLU 85 HG2 0.0078 0.0033 0.0120 915 GLU 85 HG3 0.0045 0.0020 0.0160 916 ARG 86 N 0.0047 0.0101 -0.0033 917 ARG 86 CA 0.0081 0.0062 -0.0023 918 ARG 86 C 0.0098 0.0067 -0.0083 919 ARG 86 O 0.0070 0.0109 -0.0120 920 ARG 86 CB 0.0060 0.0059 0.0046 921 ARG 86 CG 0.0004 0.0110 0.0061 922 ARG 86 CD -0.0009 0.0141 0.0011 923 ARG 86 NE -0.0063 0.0192 0.0025 924 ARG 86 CZ -0.0087 0.0231 -0.0017 925 ARG 86 NH1 -0.0061 0.0226 -0.0075 926 ARG 86 NH2 -0.0137 0.0276 0.0000 927 ARG 86 H 0.0015 0.0137 -0.0046 928 ARG 86 HA 0.0115 0.0026 -0.0018 929 ARG 86 HB2 0.0082 0.0036 0.0046 930 ARG 86 HB3 0.0065 0.0038 0.0087 931 ARG 86 HG2 -0.0007 0.0103 0.0111 932 ARG 86 HG3 -0.0019 0.0133 0.0060 933 ARG 86 HD2 0.0005 0.0146 -0.0040 934 ARG 86 HD3 0.0010 0.0120 0.0016 935 ARG 86 HE -0.0083 0.0196 0.0068 936 ARG 86 HH11 -0.0024 0.0193 -0.0091 937 ARG 86 HH12 -0.0079 0.0255 -0.0107 938 ARG 86 HH21 -0.0158 0.0281 0.0044 939 ARG 86 HH22 -0.0157 0.0307 -0.0029 940 ALA 87 N 0.0082 0.0092 0.0045 941 ALA 87 CA 0.0103 0.0093 0.0062 942 ALA 87 C 0.0118 0.0067 0.0030 943 ALA 87 O 0.0116 0.0067 0.0028 944 ALA 87 CB 0.0071 0.0117 0.0079 945 ALA 87 H 0.0054 0.0095 0.0029 946 ALA 87 HA 0.0129 0.0096 0.0086 947 ALA 87 HB1 0.0044 0.0115 0.0055 948 ALA 87 HB2 0.0060 0.0136 0.0102 949 ALA 87 HB3 0.0085 0.0118 0.0091 950 ALA 88 N 0.0156 0.0100 0.0030 951 ALA 88 CA 0.0157 0.0062 0.0055 952 ALA 88 C 0.0132 0.0083 0.0053 953 ALA 88 O 0.0085 0.0087 0.0073 954 ALA 88 CB 0.0129 0.0025 0.0093 955 ALA 88 H 0.0123 0.0125 0.0029 956 ALA 88 HA 0.0197 0.0043 0.0047 957 ALA 88 HB1 0.0088 0.0043 0.0101 958 ALA 88 HB2 0.0147 0.0011 0.0093 959 ALA 88 HB3 0.0131 -0.0004 0.0111 960 GLY 89 N 0.0289 0.0163 -0.0044 961 GLY 89 CA 0.0476 0.0112 -0.0038 962 GLY 89 C 0.0278 0.0101 0.0041 963 GLY 89 O 0.0072 0.0247 -0.0084 964 GLY 89 H 0.0076 0.0149 0.0044 965 GLY 89 HA2 0.0604 0.0223 -0.0225 966 GLY 89 HA3 0.0637 -0.0030 0.0097 967 MET 90 N -0.0267 0.0007 0.0283 968 MET 90 CA -0.0215 0.0023 0.0219 969 MET 90 C -0.0243 -0.0010 0.0297 970 MET 90 O -0.0174 -0.0076 0.0367 971 MET 90 CB -0.0071 -0.0003 0.0170 972 MET 90 CG -0.0010 0.0025 0.0081 973 MET 90 SD -0.0014 -0.0005 0.0137 974 MET 90 CE 0.0075 0.0032 0.0013 975 MET 90 H -0.0333 0.0050 0.0252 976 MET 90 HA -0.0265 0.0084 0.0147 977 MET 90 HB2 -0.0056 0.0016 0.0127 978 MET 90 HB3 -0.0022 -0.0063 0.0243 979 MET 90 HG2 -0.0060 0.0086 0.0008 980 MET 90 HG3 0.0087 0.0007 0.0050 981 MET 90 HE1 0.0027 0.0092 -0.0061 982 MET 90 HE2 0.0081 0.0018 0.0034 983 MET 90 HE3 0.0168 0.0009 -0.0008 984 GLY 91 N 0.0164 0.0096 0.0039 985 GLY 91 CA 0.0237 0.0266 -0.0181 986 GLY 91 C 0.0211 0.0133 -0.0014 987 GLY 91 O 0.0509 0.0077 0.0011 988 GLY 91 H 0.0338 -0.0065 0.0213 989 GLY 91 HA2 0.0017 0.0431 -0.0353 990 GLY 91 HA3 0.0533 0.0323 -0.0296 991 SER 92 N -0.0446 -0.0080 0.0422 992 SER 92 CA -0.0410 0.0057 0.0209 993 SER 92 C -0.0207 -0.0075 0.0264 994 SER 92 O 0.0066 -0.0207 0.0274 995 SER 92 CB -0.0273 0.0197 -0.0072 996 SER 92 OG -0.0469 0.0318 -0.0116 997 SER 92 H -0.0259 -0.0181 0.0444 998 SER 92 HA -0.0639 0.0161 0.0209 999 SER 92 HB2 -0.0044 0.0095 -0.0075 1000 SER 92 HB3 -0.0258 0.0308 -0.0235 1001 SER 92 HG -0.0614 0.0257 0.0061 1002 TYR 93 N 0.0133 -0.0049 -0.0105 1003 TYR 93 CA 0.0141 -0.0053 -0.0136 1004 TYR 93 C 0.0078 0.0022 -0.0309 1005 TYR 93 O 0.0007 0.0094 -0.0366 1006 TYR 93 CB 0.0066 0.0001 0.0018 1007 TYR 93 CG 0.0081 -0.0013 0.0017 1008 TYR 93 CD1 0.0182 -0.0115 0.0097 1009 TYR 93 CD2 -0.0005 0.0074 -0.0063 1010 TYR 93 CE1 0.0198 -0.0129 0.0097 1011 TYR 93 CE2 0.0010 0.0060 -0.0063 1012 TYR 93 CZ 0.0111 -0.0041 0.0017 1013 TYR 93 OH 0.0127 -0.0055 0.0016 1014 TYR 93 H 0.0046 0.0029 -0.0081 1015 TYR 93 HA 0.0241 -0.0144 -0.0146 1016 TYR 93 HB2 0.0100 -0.0042 0.0139 1017 TYR 93 HB3 -0.0035 0.0095 0.0014 1018 TYR 93 HD1 0.0250 -0.0183 0.0160 1019 TYR 93 HD2 -0.0084 0.0154 -0.0126 1020 TYR 93 HE1 0.0278 -0.0209 0.0160 1021 TYR 93 HE2 -0.0057 0.0129 -0.0126 1022 TYR 93 HH 0.0121 -0.0038 -0.0104 1023 VAL 94 N 0.0124 -0.0044 -0.0290 1024 VAL 94 CA 0.0058 -0.0177 -0.0154 1025 VAL 94 C 0.0118 -0.0327 -0.0172 1026 VAL 94 O 0.0119 -0.0292 -0.0188 1027 VAL 94 CB -0.0079 -0.0090 -0.0015 1028 VAL 94 CG1 -0.0098 0.0023 -0.0033 1029 VAL 94 CG2 -0.0145 -0.0233 0.0125 1030 VAL 94 H 0.0085 0.0082 -0.0288 1031 VAL 94 HA 0.0065 -0.0242 -0.0139 1032 VAL 94 HB -0.0116 -0.0000 -0.0002 1033 VAL 94 HG11 -0.0193 0.0080 0.0065 1034 VAL 94 HG12 -0.0059 -0.0061 -0.0051 1035 VAL 94 HG13 -0.0056 0.0131 -0.0127 1036 VAL 94 HG21 -0.0107 -0.0329 0.0113 1037 VAL 94 HG22 -0.0238 -0.0171 0.0219 1038 VAL 94 HG23 -0.0138 -0.0303 0.0142