1 ASP 28 N 0.0227 -0.0422 -0.0319 2 ASP 28 CA 0.0154 -0.0462 -0.0368 3 ASP 28 C 0.0038 -0.0437 -0.0402 4 ASP 28 O 0.0001 -0.0347 -0.0372 5 ASP 28 CB 0.0163 -0.0413 -0.0340 6 ASP 28 CG 0.0091 -0.0450 -0.0388 7 ASP 28 OD1 0.0111 -0.0544 -0.0427 8 ASP 28 OD2 0.0018 -0.0386 -0.0385 9 ASP 28 H 0.0307 -0.0437 -0.0294 10 ASP 28 HA 0.0179 -0.0546 -0.0401 11 ASP 28 HB2 0.0246 -0.0431 -0.0316 12 ASP 28 HB3 0.0140 -0.0328 -0.0306 13 PRO 29 N -0.0002 -0.0493 -0.0492 14 PRO 29 CA -0.0114 -0.0468 -0.0539 15 PRO 29 C -0.0176 -0.0402 -0.0526 16 PRO 29 O -0.0156 -0.0420 -0.0528 17 PRO 29 CB -0.0137 -0.0565 -0.0625 18 PRO 29 CG -0.0034 -0.0640 -0.0622 19 PRO 29 CD 0.0046 -0.0598 -0.0543 20 PRO 29 HA -0.0134 -0.0434 -0.0526 21 PRO 29 HB2 -0.0173 -0.0570 -0.0651 22 PRO 29 HB3 -0.0190 -0.0567 -0.0659 23 PRO 29 HG2 -0.0033 -0.0705 -0.0670 24 PRO 29 HG3 -0.0019 -0.0657 -0.0625 25 PRO 29 HD2 0.0060 -0.0616 -0.0549 26 PRO 29 HD3 0.0118 -0.0625 -0.0521 27 ASN 30 N -0.0234 -0.0332 -0.0508 28 ASN 30 CA -0.0298 -0.0264 -0.0486 29 ASN 30 C -0.0239 -0.0217 -0.0420 30 ASN 30 O -0.0222 -0.0238 -0.0428 31 ASN 30 CB -0.0372 -0.0301 -0.0552 32 ASN 30 CG -0.0442 -0.0235 -0.0535 33 ASN 30 OD1 -0.0522 -0.0190 -0.0539 34 ASN 30 ND2 -0.0414 -0.0232 -0.0518 35 ASN 30 H -0.0247 -0.0331 -0.0514 36 ASN 30 HA -0.0340 -0.0216 -0.0469 37 ASN 30 HB2 -0.0416 -0.0325 -0.0593 38 ASN 30 HB3 -0.0325 -0.0355 -0.0571 39 ASN 30 HD21 -0.0350 -0.0271 -0.0518 40 ASN 30 HD22 -0.0458 -0.0190 -0.0507 41 ALA 31 N -0.0207 -0.0129 -0.0326 42 ALA 31 CA -0.0161 -0.0078 -0.0274 43 ALA 31 C -0.0143 -0.0013 -0.0223 44 ALA 31 O -0.0077 -0.0023 -0.0204 45 ALA 31 CB -0.0075 -0.0124 -0.0269 46 ALA 31 H -0.0210 -0.0125 -0.0325 47 ALA 31 HA -0.0202 -0.0052 -0.0273 48 ALA 31 HB1 -0.0044 -0.0084 -0.0230 49 ALA 31 HB2 -0.0032 -0.0150 -0.0269 50 ALA 31 HB3 -0.0088 -0.0170 -0.0305 51 GLU 32 N -0.0191 0.0055 -0.0211 52 GLU 32 CA -0.0185 0.0111 -0.0165 53 GLU 32 C -0.0148 0.0132 -0.0123 54 GLU 32 O -0.0125 0.0171 -0.0077 55 GLU 32 CB -0.0248 0.0159 -0.0175 56 GLU 32 CG -0.0288 0.0176 -0.0191 57 GLU 32 CD -0.0349 0.0225 -0.0198 58 GLU 32 OE1 -0.0353 0.0280 -0.0160 59 GLU 32 OE2 -0.0394 0.0211 -0.0241 60 GLU 32 H -0.0229 0.0058 -0.0236 61 GLU 32 HA -0.0162 0.0100 -0.0156 62 GLU 32 HB2 -0.0242 0.0199 -0.0140 63 GLU 32 HB3 -0.0272 0.0142 -0.0205 64 GLU 32 HG2 -0.0296 0.0136 -0.0227 65 GLU 32 HG3 -0.0263 0.0191 -0.0162 66 PHE 33 N -0.0127 0.0114 -0.0131 67 PHE 33 CA -0.0092 0.0138 -0.0100 68 PHE 33 C -0.0030 0.0101 -0.0106 69 PHE 33 O -0.0020 0.0054 -0.0139 70 PHE 33 CB -0.0132 0.0152 -0.0103 71 PHE 33 CG -0.0155 0.0105 -0.0148 72 PHE 33 CD1 -0.0117 0.0070 -0.0163 73 PHE 33 CD2 -0.0214 0.0097 -0.0176 74 PHE 33 CE1 -0.0138 0.0027 -0.0204 75 PHE 33 CE2 -0.0235 0.0055 -0.0217 76 PHE 33 CZ -0.0197 0.0020 -0.0231 77 PHE 33 H -0.0148 0.0086 -0.0161 78 PHE 33 HA -0.0083 0.0174 -0.0068 79 PHE 33 HB2 -0.0103 0.0165 -0.0082 80 PHE 33 HB3 -0.0173 0.0183 -0.0094 81 PHE 33 HD1 -0.0070 0.0076 -0.0141 82 PHE 33 HD2 -0.0244 0.0125 -0.0166 83 PHE 33 HE1 -0.0107 -0.0000 -0.0214 84 PHE 33 HE2 -0.0282 0.0049 -0.0239 85 PHE 33 HZ -0.0213 -0.0013 -0.0263 86 ASP 34 N -0.0034 0.0119 -0.0075 87 ASP 34 CA 0.0001 0.0099 -0.0077 88 ASP 34 C 0.0021 0.0085 -0.0087 89 ASP 34 O 0.0017 0.0092 -0.0071 90 ASP 34 CB 0.0017 0.0101 -0.0040 91 ASP 34 CG 0.0052 0.0082 -0.0042 92 ASP 34 OD1 0.0077 0.0068 -0.0042 93 ASP 34 OD2 0.0056 0.0079 -0.0043 94 ASP 34 H -0.0039 0.0128 -0.0052 95 ASP 34 HA 0.0001 0.0092 -0.0099 96 ASP 34 HB2 0.0001 0.0113 -0.0031 97 ASP 34 HB3 0.0020 0.0106 -0.0019 98 PRO 35 N 0.0045 0.0064 -0.0133 99 PRO 35 CA 0.0062 0.0059 -0.0136 100 PRO 35 C 0.0109 0.0066 -0.0111 101 PRO 35 O 0.0126 0.0062 -0.0113 102 PRO 35 CB 0.0067 0.0032 -0.0183 103 PRO 35 CG 0.0083 0.0023 -0.0195 104 PRO 35 CD 0.0058 0.0041 -0.0169 105 PRO 35 HA 0.0036 0.0068 -0.0127 106 PRO 35 HB2 0.0093 0.0025 -0.0188 107 PRO 35 HB3 0.0034 0.0029 -0.0199 108 PRO 35 HG2 0.0121 0.0020 -0.0189 109 PRO 35 HG3 0.0073 0.0006 -0.0228 110 PRO 35 HD2 0.0082 0.0043 -0.0158 111 PRO 35 HD3 0.0027 0.0037 -0.0186 112 ASP 36 N 0.0098 0.0050 -0.0079 113 ASP 36 CA 0.0131 0.0040 -0.0053 114 ASP 36 C 0.0123 0.0049 -0.0014 115 ASP 36 O 0.0146 0.0041 0.0005 116 ASP 36 CB 0.0146 0.0034 -0.0047 117 ASP 36 CG 0.0179 0.0024 -0.0020 118 ASP 36 OD1 0.0208 0.0010 -0.0031 119 ASP 36 OD2 0.0176 0.0030 0.0014 120 ASP 36 H 0.0079 0.0059 -0.0075 121 ASP 36 HA 0.0151 0.0030 -0.0066 122 ASP 36 HB2 0.0153 0.0028 -0.0076 123 ASP 36 HB3 0.0125 0.0045 -0.0036 124 LEU 37 N 0.0076 0.0069 0.0014 125 LEU 37 CA 0.0065 0.0072 0.0050 126 LEU 37 C 0.0059 0.0076 0.0043 127 LEU 37 O 0.0042 0.0088 0.0014 128 LEU 37 CB 0.0034 0.0088 0.0071 129 LEU 37 CG 0.0040 0.0083 0.0092 130 LEU 37 CD1 0.0066 0.0065 0.0123 131 LEU 37 CD2 0.0050 0.0079 0.0063 132 LEU 37 H 0.0059 0.0080 -0.0003 133 LEU 37 HA 0.0087 0.0058 0.0069 134 LEU 37 HB2 0.0016 0.0100 0.0048 135 LEU 37 HB3 0.0023 0.0092 0.0092 136 LEU 37 HG 0.0016 0.0095 0.0107 137 LEU 37 HD11 0.0069 0.0062 0.0138 138 LEU 37 HD12 0.0090 0.0052 0.0110 139 LEU 37 HD13 0.0057 0.0068 0.0145 140 LEU 37 HD21 0.0054 0.0076 0.0079 141 LEU 37 HD22 0.0031 0.0092 0.0042 142 LEU 37 HD23 0.0074 0.0067 0.0048 143 PRO 38 N 0.0056 0.0082 0.0070 144 PRO 38 CA 0.0052 0.0085 0.0068 145 PRO 38 C 0.0024 0.0100 0.0071 146 PRO 38 O 0.0010 0.0106 0.0091 147 PRO 38 CB 0.0066 0.0074 0.0094 148 PRO 38 CG 0.0084 0.0063 0.0101 149 PRO 38 CD 0.0072 0.0071 0.0094 150 PRO 38 HA 0.0060 0.0082 0.0048 151 PRO 38 HB2 0.0052 0.0080 0.0112 152 PRO 38 HB3 0.0075 0.0069 0.0088 153 PRO 38 HG2 0.0087 0.0059 0.0124 154 PRO 38 HG3 0.0101 0.0054 0.0089 155 PRO 38 HD2 0.0060 0.0075 0.0112 156 PRO 38 HD3 0.0085 0.0063 0.0087 157 GLY 39 N 0.0022 0.0113 0.0056 158 GLY 39 CA -0.0001 0.0130 0.0056 159 GLY 39 C -0.0021 0.0148 0.0048 160 GLY 39 O -0.0045 0.0161 0.0056 161 GLY 39 H 0.0038 0.0110 0.0040 162 GLY 39 HA2 0.0003 0.0134 0.0041 163 GLY 39 HA3 -0.0009 0.0126 0.0078 164 GLY 40 N -0.0025 0.0146 0.0013 165 GLY 40 CA -0.0037 0.0150 -0.0004 166 GLY 40 C -0.0039 0.0156 0.0027 167 GLY 40 O -0.0052 0.0162 0.0019 168 GLY 40 H -0.0001 0.0132 0.0007 169 GLY 40 HA2 -0.0020 0.0137 -0.0026 170 GLY 40 HA3 -0.0063 0.0163 -0.0018 171 GLY 41 N -0.0028 0.0143 0.0067 172 GLY 41 CA -0.0037 0.0146 0.0100 173 GLY 41 C -0.0066 0.0169 0.0111 174 GLY 41 O -0.0078 0.0177 0.0136 175 GLY 41 H -0.0016 0.0132 0.0066 176 GLY 41 HA2 -0.0024 0.0133 0.0119 177 GLY 41 HA3 -0.0035 0.0145 0.0097 178 LEU 42 N -0.0076 0.0184 0.0087 179 LEU 42 CA -0.0109 0.0214 0.0092 180 LEU 42 C -0.0115 0.0219 0.0121 181 LEU 42 O -0.0141 0.0242 0.0133 182 LEU 42 CB -0.0122 0.0227 0.0049 183 LEU 42 CG -0.0119 0.0225 0.0016 184 LEU 42 CD1 -0.0133 0.0238 -0.0026 185 LEU 42 CD2 -0.0135 0.0239 0.0031 186 LEU 42 H -0.0064 0.0175 0.0064 187 LEU 42 HA -0.0121 0.0225 0.0105 188 LEU 42 HB2 -0.0111 0.0217 0.0036 189 LEU 42 HB3 -0.0147 0.0249 0.0053 190 LEU 42 HG -0.0094 0.0203 0.0010 191 LEU 42 HD11 -0.0131 0.0237 -0.0049 192 LEU 42 HD12 -0.0158 0.0261 -0.0022 193 LEU 42 HD13 -0.0120 0.0227 -0.0038 194 LEU 42 HD21 -0.0160 0.0261 0.0038 195 LEU 42 HD22 -0.0133 0.0237 0.0007 196 LEU 42 HD23 -0.0124 0.0228 0.0060 197 HIS 43 N -0.0051 0.0154 0.0131 198 HIS 43 CA -0.0049 0.0142 0.0139 199 HIS 43 C -0.0050 0.0123 0.0157 200 HIS 43 O -0.0037 0.0108 0.0154 201 HIS 43 CB -0.0032 0.0134 0.0124 202 HIS 43 CG -0.0028 0.0152 0.0104 203 HIS 43 ND1 -0.0035 0.0164 0.0102 204 HIS 43 CD2 -0.0019 0.0159 0.0086 205 HIS 43 CE1 -0.0030 0.0177 0.0083 206 HIS 43 NE2 -0.0020 0.0175 0.0074 207 HIS 43 H -0.0044 0.0147 0.0127 208 HIS 43 HA -0.0060 0.0151 0.0145 209 HIS 43 HB2 -0.0021 0.0123 0.0121 210 HIS 43 HB3 -0.0032 0.0127 0.0131 211 HIS 43 HD1 -0.0043 0.0163 0.0112 212 HIS 43 HD2 -0.0012 0.0153 0.0083 213 HIS 43 HE1 -0.0032 0.0188 0.0077 214 HIS 43 HE2 -0.0017 0.0185 0.0060 215 ARG 44 N -0.0050 0.0139 0.0179 216 ARG 44 CA -0.0053 0.0118 0.0203 217 ARG 44 C -0.0060 0.0114 0.0219 218 ARG 44 O -0.0069 0.0134 0.0219 219 ARG 44 CB -0.0067 0.0126 0.0221 220 ARG 44 CG -0.0065 0.0138 0.0209 221 ARG 44 CD -0.0081 0.0148 0.0230 222 ARG 44 NE -0.0081 0.0161 0.0219 223 ARG 44 CZ -0.0093 0.0169 0.0234 224 ARG 44 NH1 -0.0105 0.0165 0.0261 225 ARG 44 NH2 -0.0092 0.0180 0.0223 226 ARG 44 H -0.0059 0.0158 0.0181 227 ARG 44 HA -0.0041 0.0098 0.0197 228 ARG 44 HB2 -0.0079 0.0141 0.0232 229 ARG 44 HB3 -0.0066 0.0108 0.0236 230 ARG 44 HG2 -0.0054 0.0122 0.0201 231 ARG 44 HG3 -0.0065 0.0155 0.0193 232 ARG 44 HD2 -0.0092 0.0162 0.0239 233 ARG 44 HD3 -0.0081 0.0130 0.0245 234 ARG 44 HE -0.0072 0.0164 0.0199 235 ARG 44 HH11 -0.0106 0.0156 0.0270 236 ARG 44 HH12 -0.0114 0.0170 0.0272 237 ARG 44 HH21 -0.0083 0.0183 0.0203 238 ARG 44 HH22 -0.0100 0.0186 0.0234 239 CYS 45 N -0.0052 0.0082 0.0211 240 CYS 45 CA -0.0056 0.0075 0.0212 241 CYS 45 C -0.0074 0.0073 0.0237 242 CYS 45 O -0.0087 0.0057 0.0245 243 CYS 45 CB -0.0056 0.0048 0.0194 244 CYS 45 SG -0.0064 0.0035 0.0197 245 CYS 45 H -0.0057 0.0070 0.0210 246 CYS 45 HA -0.0046 0.0090 0.0208 247 CYS 45 HB2 -0.0042 0.0052 0.0176 248 CYS 45 HB3 -0.0063 0.0034 0.0195 249 LEU 46 N -0.0065 0.0096 0.0246 250 LEU 46 CA -0.0085 0.0099 0.0278 251 LEU 46 C -0.0103 0.0068 0.0282 252 LEU 46 O -0.0123 0.0056 0.0304 253 LEU 46 CB -0.0078 0.0128 0.0292 254 LEU 46 CG -0.0061 0.0160 0.0291 255 LEU 46 CD1 -0.0054 0.0188 0.0302 256 LEU 46 CD2 -0.0070 0.0166 0.0309 257 LEU 46 H -0.0051 0.0111 0.0237 258 LEU 46 HA -0.0091 0.0101 0.0290 259 LEU 46 HB2 -0.0071 0.0126 0.0280 260 LEU 46 HB3 -0.0093 0.0129 0.0315 261 LEU 46 HG -0.0047 0.0159 0.0267 262 LEU 46 HD11 -0.0046 0.0185 0.0288 263 LEU 46 HD12 -0.0043 0.0211 0.0302 264 LEU 46 HD13 -0.0069 0.0188 0.0325 265 LEU 46 HD21 -0.0073 0.0147 0.0299 266 LEU 46 HD22 -0.0085 0.0165 0.0332 267 LEU 46 HD23 -0.0058 0.0189 0.0308 268 ALA 47 N -0.0098 0.0056 0.0264 269 ALA 47 CA -0.0118 0.0029 0.0253 270 ALA 47 C -0.0143 0.0003 0.0250 271 ALA 47 O -0.0166 -0.0020 0.0249 272 ALA 47 CB -0.0102 0.0025 0.0218 273 ALA 47 H -0.0078 0.0066 0.0248 274 ALA 47 HA -0.0127 0.0032 0.0273 275 ALA 47 HB1 -0.0117 0.0006 0.0211 276 ALA 47 HB2 -0.0093 0.0022 0.0198 277 ALA 47 HB3 -0.0084 0.0044 0.0221 278 CYS 48 N -0.0112 0.0010 0.0243 279 CYS 48 CA -0.0119 -0.0014 0.0238 280 CYS 48 C -0.0125 -0.0011 0.0253 281 CYS 48 O -0.0133 -0.0031 0.0254 282 CYS 48 CB -0.0108 -0.0024 0.0209 283 CYS 48 SG -0.0104 -0.0034 0.0193 284 CYS 48 H -0.0103 0.0027 0.0237 285 CYS 48 HA -0.0128 -0.0029 0.0245 286 CYS 48 HB2 -0.0097 -0.0010 0.0197 287 CYS 48 HB3 -0.0114 -0.0042 0.0206 288 ALA 49 N -0.0100 0.0013 0.0278 289 ALA 49 CA -0.0103 0.0025 0.0282 290 ALA 49 C -0.0086 0.0017 0.0257 291 ALA 49 O -0.0087 0.0017 0.0258 292 ALA 49 CB -0.0120 0.0012 0.0308 293 ALA 49 H -0.0102 0.0029 0.0279 294 ALA 49 HA -0.0106 0.0052 0.0282 295 ALA 49 HB1 -0.0118 -0.0015 0.0307 296 ALA 49 HB2 -0.0132 0.0018 0.0325 297 ALA 49 HB3 -0.0123 0.0022 0.0310 298 ARG 50 N -0.0072 0.0023 0.0239 299 ARG 50 CA -0.0063 0.0015 0.0220 300 ARG 50 C -0.0048 0.0039 0.0209 301 ARG 50 O -0.0039 0.0057 0.0205 302 ARG 50 CB -0.0059 -0.0009 0.0200 303 ARG 50 CG -0.0074 -0.0036 0.0210 304 ARG 50 CD -0.0068 -0.0059 0.0189 305 ARG 50 NE -0.0083 -0.0086 0.0198 306 ARG 50 CZ -0.0081 -0.0109 0.0183 307 ARG 50 NH1 -0.0066 -0.0109 0.0159 308 ARG 50 NH2 -0.0095 -0.0131 0.0193 309 ARG 50 H -0.0068 0.0027 0.0234 310 ARG 50 HA -0.0071 0.0008 0.0230 311 ARG 50 HB2 -0.0051 -0.0003 0.0191 312 ARG 50 HB3 -0.0051 -0.0014 0.0186 313 ARG 50 HG2 -0.0082 -0.0044 0.0218 314 ARG 50 HG3 -0.0081 -0.0032 0.0224 315 ARG 50 HD2 -0.0060 -0.0052 0.0180 316 ARG 50 HD3 -0.0061 -0.0064 0.0175 317 ARG 50 HE -0.0094 -0.0086 0.0216 318 ARG 50 HH11 -0.0055 -0.0092 0.0150 319 ARG 50 HH12 -0.0064 -0.0125 0.0147 320 ARG 50 HH21 -0.0107 -0.0132 0.0211 321 ARG 50 HH22 -0.0094 -0.0148 0.0183 322 TYR 51 N -0.0013 0.0050 0.0197 323 TYR 51 CA -0.0013 0.0069 0.0175 324 TYR 51 C 0.0001 0.0060 0.0154 325 TYR 51 O 0.0014 0.0039 0.0150 326 TYR 51 CB -0.0011 0.0071 0.0168 327 TYR 51 CG -0.0024 0.0077 0.0189 328 TYR 51 CD1 -0.0022 0.0059 0.0207 329 TYR 51 CD2 -0.0038 0.0102 0.0191 330 TYR 51 CE1 -0.0034 0.0065 0.0226 331 TYR 51 CE2 -0.0049 0.0107 0.0210 332 TYR 51 CZ -0.0047 0.0089 0.0227 333 TYR 51 OH -0.0058 0.0094 0.0246 334 TYR 51 H -0.0005 0.0036 0.0197 335 TYR 51 HA -0.0024 0.0086 0.0179 336 TYR 51 HB2 -0.0000 0.0054 0.0164 337 TYR 51 HB3 -0.0011 0.0085 0.0151 338 TYR 51 HD1 -0.0012 0.0040 0.0206 339 TYR 51 HD2 -0.0039 0.0116 0.0177 340 TYR 51 HE1 -0.0032 0.0050 0.0240 341 TYR 51 HE2 -0.0060 0.0126 0.0211 342 TYR 51 HH -0.0053 0.0083 0.0248 343 PHE 52 N -0.0019 0.0077 0.0152 344 PHE 52 CA -0.0003 0.0070 0.0135 345 PHE 52 C 0.0009 0.0089 0.0126 346 PHE 52 O 0.0006 0.0109 0.0132 347 PHE 52 CB 0.0003 0.0065 0.0129 348 PHE 52 CG -0.0008 0.0046 0.0136 349 PHE 52 CD1 -0.0023 0.0050 0.0151 350 PHE 52 CD2 -0.0004 0.0024 0.0129 351 PHE 52 CE1 -0.0033 0.0032 0.0158 352 PHE 52 CE2 -0.0014 0.0006 0.0136 353 PHE 52 CZ -0.0028 0.0011 0.0151 354 PHE 52 H -0.0022 0.0090 0.0156 355 PHE 52 HA -0.0003 0.0055 0.0133 356 PHE 52 HB2 0.0003 0.0080 0.0131 357 PHE 52 HB3 0.0015 0.0060 0.0116 358 PHE 52 HD1 -0.0026 0.0067 0.0157 359 PHE 52 HD2 0.0008 0.0020 0.0117 360 PHE 52 HE1 -0.0044 0.0036 0.0170 361 PHE 52 HE2 -0.0010 -0.0011 0.0130 362 PHE 52 HZ -0.0036 -0.0003 0.0156 363 ILE 53 N 0.0032 0.0086 0.0103 364 ILE 53 CA 0.0038 0.0096 0.0088 365 ILE 53 C 0.0033 0.0107 0.0083 366 ILE 53 O 0.0031 0.0120 0.0073 367 ILE 53 CB 0.0055 0.0088 0.0079 368 ILE 53 CG1 0.0061 0.0077 0.0084 369 ILE 53 CG2 0.0061 0.0081 0.0081 370 ILE 53 CD1 0.0078 0.0069 0.0076 371 ILE 53 H 0.0039 0.0075 0.0106 372 ILE 53 HA 0.0035 0.0103 0.0085 373 ILE 53 HB 0.0059 0.0097 0.0068 374 ILE 53 HG12 0.0058 0.0069 0.0095 375 ILE 53 HG13 0.0057 0.0084 0.0082 376 ILE 53 HG21 0.0057 0.0073 0.0092 377 ILE 53 HG22 0.0058 0.0089 0.0077 378 ILE 53 HG23 0.0073 0.0075 0.0075 379 ILE 53 HD11 0.0082 0.0078 0.0065 380 ILE 53 HD12 0.0082 0.0062 0.0080 381 ILE 53 HD13 0.0083 0.0063 0.0077 382 ASP 54 N 0.0038 0.0104 0.0097 383 ASP 54 CA 0.0043 0.0111 0.0092 384 ASP 54 C 0.0034 0.0102 0.0099 385 ASP 54 O 0.0029 0.0086 0.0105 386 ASP 54 CB 0.0063 0.0107 0.0082 387 ASP 54 CG 0.0070 0.0116 0.0077 388 ASP 54 OD1 0.0073 0.0133 0.0072 389 ASP 54 OD2 0.0072 0.0105 0.0077 390 ASP 54 H 0.0035 0.0091 0.0101 391 ASP 54 HA 0.0040 0.0127 0.0091 392 ASP 54 HB2 0.0069 0.0114 0.0078 393 ASP 54 HB3 0.0066 0.0092 0.0083 394 SER 55 N 0.0047 0.0114 0.0103 395 SER 55 CA 0.0042 0.0108 0.0105 396 SER 55 C 0.0049 0.0090 0.0098 397 SER 55 O 0.0042 0.0079 0.0101 398 SER 55 CB 0.0046 0.0123 0.0104 399 SER 55 OG 0.0042 0.0119 0.0106 400 SER 55 H 0.0053 0.0125 0.0100 401 SER 55 HA 0.0029 0.0105 0.0112 402 SER 55 HB2 0.0039 0.0135 0.0110 403 SER 55 HB3 0.0058 0.0128 0.0097 404 SER 55 HG 0.0051 0.0113 0.0100 405 THR 56 N 0.0066 0.0083 0.0098 406 THR 56 CA 0.0073 0.0069 0.0090 407 THR 56 C 0.0061 0.0057 0.0089 408 THR 56 O 0.0059 0.0044 0.0085 409 THR 56 CB 0.0087 0.0072 0.0085 410 THR 56 OG1 0.0097 0.0084 0.0087 411 THR 56 CG2 0.0095 0.0058 0.0077 412 THR 56 H 0.0071 0.0092 0.0100 413 THR 56 HA 0.0076 0.0066 0.0087 414 THR 56 HB 0.0083 0.0074 0.0088 415 THR 56 HG1 0.0093 0.0093 0.0092 416 THR 56 HG21 0.0105 0.0060 0.0074 417 THR 56 HG22 0.0099 0.0055 0.0075 418 THR 56 HG23 0.0088 0.0048 0.0076 419 ASN 57 N 0.0049 0.0060 0.0093 420 ASN 57 CA 0.0038 0.0047 0.0096 421 ASN 57 C 0.0023 0.0042 0.0103 422 ASN 57 O 0.0016 0.0026 0.0103 423 ASN 57 CB 0.0034 0.0053 0.0099 424 ASN 57 CG 0.0048 0.0050 0.0092 425 ASN 57 OD1 0.0047 0.0036 0.0089 426 ASN 57 ND2 0.0059 0.0063 0.0088 427 ASN 57 H 0.0050 0.0072 0.0095 428 ASN 57 HA 0.0045 0.0035 0.0090 429 ASN 57 HB2 0.0034 0.0067 0.0103 430 ASN 57 HB3 0.0023 0.0047 0.0104 431 ASN 57 HD21 0.0060 0.0074 0.0091 432 ASN 57 HD22 0.0068 0.0061 0.0084 433 LEU 58 N 0.0019 0.0057 0.0111 434 LEU 58 CA 0.0008 0.0057 0.0122 435 LEU 58 C 0.0013 0.0052 0.0114 436 LEU 58 O 0.0004 0.0038 0.0116 437 LEU 58 CB 0.0005 0.0078 0.0136 438 LEU 58 CG -0.0004 0.0083 0.0149 439 LEU 58 CD1 0.0006 0.0091 0.0143 440 LEU 58 CD2 -0.0020 0.0066 0.0154 441 LEU 58 H 0.0026 0.0070 0.0111 442 LEU 58 HA -0.0003 0.0046 0.0127 443 LEU 58 HB2 -0.0000 0.0079 0.0143 444 LEU 58 HB3 0.0017 0.0090 0.0130 445 LEU 58 HG -0.0008 0.0096 0.0160 446 LEU 58 HD11 -0.0002 0.0094 0.0152 447 LEU 58 HD12 0.0010 0.0079 0.0132 448 LEU 58 HD13 0.0016 0.0104 0.0140 449 LEU 58 HD21 -0.0016 0.0053 0.0144 450 LEU 58 HD22 -0.0027 0.0070 0.0164 451 LEU 58 HD23 -0.0027 0.0061 0.0159 452 LYS 59 N 0.0039 0.0051 0.0098 453 LYS 59 CA 0.0052 0.0042 0.0080 454 LYS 59 C 0.0045 0.0026 0.0062 455 LYS 59 O 0.0045 0.0016 0.0048 456 LYS 59 CB 0.0078 0.0050 0.0080 457 LYS 59 CG 0.0088 0.0052 0.0079 458 LYS 59 CD 0.0113 0.0061 0.0080 459 LYS 59 CE 0.0128 0.0053 0.0063 460 LYS 59 NZ 0.0128 0.0040 0.0045 461 LYS 59 H 0.0046 0.0060 0.0107 462 LYS 59 HA 0.0046 0.0040 0.0081 463 LYS 59 HB2 0.0086 0.0043 0.0068 464 LYS 59 HB3 0.0081 0.0060 0.0093 465 LYS 59 HG2 0.0079 0.0058 0.0091 466 LYS 59 HG3 0.0086 0.0042 0.0066 467 LYS 59 HD2 0.0115 0.0071 0.0093 468 LYS 59 HD3 0.0120 0.0064 0.0081 469 LYS 59 HE2 0.0121 0.0050 0.0061 470 LYS 59 HE3 0.0145 0.0060 0.0065 471 LYS 59 HZ1 0.0135 0.0043 0.0045 472 LYS 59 HZ2 0.0138 0.0034 0.0033 473 LYS 59 HZ3 0.0112 0.0032 0.0041 474 THR 60 N 0.0046 0.0026 0.0064 475 THR 60 CA 0.0036 0.0011 0.0045 476 THR 60 C 0.0012 0.0001 0.0042 477 THR 60 O 0.0006 -0.0013 0.0024 478 THR 60 CB 0.0033 0.0011 0.0048 479 THR 60 OG1 0.0056 0.0021 0.0049 480 THR 60 CG2 0.0023 -0.0005 0.0028 481 THR 60 H 0.0047 0.0035 0.0077 482 THR 60 HA 0.0050 0.0006 0.0030 483 THR 60 HB 0.0020 0.0016 0.0063 484 THR 60 HG1 0.0060 0.0031 0.0063 485 THR 60 HG21 0.0020 -0.0004 0.0031 486 THR 60 HG22 0.0036 -0.0010 0.0013 487 THR 60 HG23 0.0005 -0.0012 0.0027 488 HIS 61 N 0.0000 0.0005 0.0059 489 HIS 61 CA -0.0022 -0.0006 0.0067 490 HIS 61 C -0.0017 -0.0007 0.0058 491 HIS 61 O -0.0033 -0.0021 0.0053 492 HIS 61 CB -0.0035 0.0002 0.0096 493 HIS 61 CG -0.0053 -0.0003 0.0108 494 HIS 61 ND1 -0.0076 -0.0021 0.0103 495 HIS 61 CD2 -0.0049 0.0007 0.0123 496 HIS 61 CE1 -0.0085 -0.0021 0.0114 497 HIS 61 NE2 -0.0070 -0.0005 0.0126 498 HIS 61 H 0.0006 0.0017 0.0073 499 HIS 61 HA -0.0035 -0.0020 0.0056 500 HIS 61 HB2 -0.0046 -0.0003 0.0100 501 HIS 61 HB3 -0.0021 0.0017 0.0107 502 HIS 61 HD1 -0.0084 -0.0032 0.0093 503 HIS 61 HD2 -0.0034 0.0022 0.0130 504 HIS 61 HE1 -0.0102 -0.0032 0.0115 505 PHE 62 N 0.0001 -0.0002 0.0047 506 PHE 62 CA 0.0008 -0.0005 0.0034 507 PHE 62 C 0.0017 -0.0019 -0.0000 508 PHE 62 O 0.0025 -0.0023 -0.0014 509 PHE 62 CB 0.0033 0.0013 0.0047 510 PHE 62 CG 0.0028 0.0029 0.0081 511 PHE 62 CD1 0.0001 0.0026 0.0099 512 PHE 62 CD2 0.0051 0.0047 0.0094 513 PHE 62 CE1 -0.0003 0.0040 0.0130 514 PHE 62 CE2 0.0048 0.0062 0.0125 515 PHE 62 CZ 0.0021 0.0059 0.0143 516 PHE 62 H 0.0018 0.0010 0.0053 517 PHE 62 HA -0.0014 -0.0012 0.0040 518 PHE 62 HB2 0.0056 0.0019 0.0037 519 PHE 62 HB3 0.0030 0.0009 0.0040 520 PHE 62 HD1 -0.0018 0.0012 0.0088 521 PHE 62 HD2 0.0073 0.0050 0.0080 522 PHE 62 HE1 -0.0024 0.0037 0.0143 523 PHE 62 HE2 0.0067 0.0076 0.0135 524 PHE 62 HZ 0.0019 0.0071 0.0168 525 ARG 63 N 0.0013 -0.0020 -0.0024 526 ARG 63 CA 0.0019 -0.0031 -0.0059 527 ARG 63 C -0.0009 -0.0044 -0.0082 528 ARG 63 O -0.0010 -0.0054 -0.0113 529 ARG 63 CB 0.0022 -0.0031 -0.0059 530 ARG 63 CG 0.0055 -0.0020 -0.0042 531 ARG 63 CD 0.0057 -0.0020 -0.0042 532 ARG 63 NE 0.0057 -0.0032 -0.0078 533 ARG 63 CZ 0.0064 -0.0034 -0.0086 534 ARG 63 NH1 0.0073 -0.0024 -0.0063 535 ARG 63 NH2 0.0062 -0.0045 -0.0119 536 ARG 63 H 0.0003 -0.0015 -0.0005 537 ARG 63 HA 0.0045 -0.0031 -0.0068 538 ARG 63 HB2 -0.0002 -0.0030 -0.0046 539 ARG 63 HB3 0.0023 -0.0040 -0.0086 540 ARG 63 HG2 0.0079 -0.0021 -0.0055 541 ARG 63 HG3 0.0054 -0.0011 -0.0015 542 ARG 63 HD2 0.0081 -0.0012 -0.0031 543 ARG 63 HD3 0.0033 -0.0019 -0.0028 544 ARG 63 HE 0.0051 -0.0039 -0.0096 545 ARG 63 HH11 0.0076 -0.0015 -0.0038 546 ARG 63 HH12 0.0079 -0.0025 -0.0068 547 ARG 63 HH21 0.0055 -0.0053 -0.0137 548 ARG 63 HH22 0.0067 -0.0047 -0.0127 549 SER 64 N -0.0030 -0.0050 -0.0065 550 SER 64 CA -0.0059 -0.0064 -0.0084 551 SER 64 C -0.0039 -0.0065 -0.0098 552 SER 64 O -0.0034 -0.0055 -0.0076 553 SER 64 CB -0.0094 -0.0062 -0.0057 554 SER 64 OG -0.0107 -0.0057 -0.0036 555 SER 64 H -0.0030 -0.0039 -0.0038 556 SER 64 HA -0.0067 -0.0075 -0.0107 557 SER 64 HB2 -0.0086 -0.0052 -0.0038 558 SER 64 HB3 -0.0118 -0.0074 -0.0072 559 SER 64 HG -0.0120 -0.0066 -0.0052 560 LYS 65 N -0.0032 -0.0079 -0.0139 561 LYS 65 CA -0.0008 -0.0083 -0.0159 562 LYS 65 C -0.0038 -0.0087 -0.0155 563 LYS 65 O -0.0019 -0.0082 -0.0151 564 LYS 65 CB 0.0013 -0.0100 -0.0208 565 LYS 65 CG -0.0021 -0.0120 -0.0240 566 LYS 65 CD -0.0062 -0.0132 -0.0250 567 LYS 65 CE -0.0093 -0.0151 -0.0283 568 LYS 65 NZ -0.0135 -0.0163 -0.0291 569 LYS 65 H -0.0038 -0.0087 -0.0157 570 LYS 65 HA 0.0021 -0.0069 -0.0139 571 LYS 65 HB2 0.0025 -0.0103 -0.0222 572 LYS 65 HB3 0.0043 -0.0093 -0.0206 573 LYS 65 HG2 -0.0000 -0.0129 -0.0271 574 LYS 65 HG3 -0.0034 -0.0117 -0.0227 575 LYS 65 HD2 -0.0082 -0.0123 -0.0220 576 LYS 65 HD3 -0.0047 -0.0135 -0.0265 577 LYS 65 HE2 -0.0072 -0.0161 -0.0313 578 LYS 65 HE3 -0.0105 -0.0148 -0.0269 579 LYS 65 HZ1 -0.0125 -0.0166 -0.0304 580 LYS 65 HZ2 -0.0156 -0.0154 -0.0262 581 LYS 65 HZ3 -0.0155 -0.0176 -0.0314 582 ASP 66 N -0.0079 -0.0102 -0.0162 583 ASP 66 CA -0.0113 -0.0107 -0.0162 584 ASP 66 C -0.0115 -0.0088 -0.0115 585 ASP 66 O -0.0123 -0.0087 -0.0112 586 ASP 66 CB -0.0166 -0.0119 -0.0174 587 ASP 66 CG -0.0201 -0.0129 -0.0183 588 ASP 66 OD1 -0.0202 -0.0146 -0.0225 589 ASP 66 OD2 -0.0228 -0.0119 -0.0151 590 ASP 66 H -0.0093 -0.0104 -0.0161 591 ASP 66 HA -0.0099 -0.0116 -0.0189 592 ASP 66 HB2 -0.0162 -0.0132 -0.0204 593 ASP 66 HB3 -0.0182 -0.0109 -0.0144 594 HIS 67 N -0.0095 -0.0073 -0.0075 595 HIS 67 CA -0.0093 -0.0057 -0.0029 596 HIS 67 C -0.0054 -0.0044 -0.0022 597 HIS 67 O -0.0058 -0.0038 -0.0002 598 HIS 67 CB -0.0091 -0.0048 -0.0003 599 HIS 67 CG -0.0093 -0.0033 0.0045 600 HIS 67 ND1 -0.0117 -0.0033 0.0066 601 HIS 67 CD2 -0.0085 -0.0021 0.0073 602 HIS 67 CE1 -0.0125 -0.0022 0.0106 603 HIS 67 NE2 -0.0106 -0.0015 0.0112 604 HIS 67 H -0.0093 -0.0076 -0.0085 605 HIS 67 HA -0.0122 -0.0062 -0.0017 606 HIS 67 HB2 -0.0119 -0.0057 -0.0004 607 HIS 67 HB3 -0.0062 -0.0042 -0.0012 608 HIS 67 HD1 -0.0128 -0.0040 0.0055 609 HIS 67 HD2 -0.0060 -0.0017 0.0064 610 HIS 67 HE1 -0.0143 -0.0019 0.0132 611 LYS 68 N -0.0024 -0.0037 -0.0046 612 LYS 68 CA 0.0016 -0.0025 -0.0040 613 LYS 68 C 0.0020 -0.0032 -0.0065 614 LYS 68 O 0.0040 -0.0023 -0.0054 615 LYS 68 CB 0.0050 -0.0019 -0.0052 616 LYS 68 CG 0.0044 -0.0014 -0.0029 617 LYS 68 CD 0.0079 -0.0009 -0.0043 618 LYS 68 CE 0.0078 -0.0024 -0.0089 619 LYS 68 NZ 0.0110 -0.0020 -0.0103 620 LYS 68 H -0.0024 -0.0043 -0.0062 621 LYS 68 HA 0.0016 -0.0014 -0.0008 622 LYS 68 HB2 0.0050 -0.0030 -0.0085 623 LYS 68 HB3 0.0080 -0.0009 -0.0045 624 LYS 68 HG2 0.0040 -0.0004 0.0005 625 LYS 68 HG3 0.0014 -0.0024 -0.0036 626 LYS 68 HD2 0.0109 0.0001 -0.0037 627 LYS 68 HD3 0.0075 -0.0004 -0.0025 628 LYS 68 HE2 0.0048 -0.0034 -0.0095 629 LYS 68 HE3 0.0084 -0.0028 -0.0107 630 LYS 68 HZ1 0.0140 -0.0010 -0.0098 631 LYS 68 HZ2 0.0108 -0.0030 -0.0134 632 LYS 68 HZ3 0.0104 -0.0016 -0.0086 633 LYS 69 N -0.0001 -0.0061 -0.0107 634 LYS 69 CA -0.0012 -0.0077 -0.0140 635 LYS 69 C -0.0045 -0.0071 -0.0112 636 LYS 69 O -0.0034 -0.0071 -0.0117 637 LYS 69 CB -0.0043 -0.0099 -0.0180 638 LYS 69 CG -0.0073 -0.0117 -0.0211 639 LYS 69 CD -0.0105 -0.0137 -0.0243 640 LYS 69 CE -0.0140 -0.0157 -0.0275 641 LYS 69 NZ -0.0171 -0.0174 -0.0303 642 LYS 69 H -0.0012 -0.0067 -0.0116 643 LYS 69 HA 0.0023 -0.0077 -0.0157 644 LYS 69 HB2 -0.0016 -0.0104 -0.0205 645 LYS 69 HB3 -0.0070 -0.0097 -0.0162 646 LYS 69 HG2 -0.0098 -0.0111 -0.0185 647 LYS 69 HG3 -0.0046 -0.0122 -0.0233 648 LYS 69 HD2 -0.0077 -0.0142 -0.0267 649 LYS 69 HD3 -0.0128 -0.0131 -0.0220 650 LYS 69 HE2 -0.0167 -0.0152 -0.0252 651 LYS 69 HE3 -0.0117 -0.0163 -0.0301 652 LYS 69 HZ1 -0.0198 -0.0188 -0.0325 653 LYS 69 HZ2 -0.0193 -0.0167 -0.0278 654 LYS 69 HZ3 -0.0146 -0.0178 -0.0325 655 ARG 70 N -0.0080 -0.0073 -0.0080 656 ARG 70 CA -0.0113 -0.0068 -0.0049 657 ARG 70 C -0.0083 -0.0043 -0.0009 658 ARG 70 O -0.0092 -0.0038 0.0007 659 ARG 70 CB -0.0162 -0.0070 -0.0026 660 ARG 70 CG -0.0202 -0.0068 0.0003 661 ARG 70 CD -0.0221 -0.0087 -0.0030 662 ARG 70 NE -0.0257 -0.0084 -0.0003 663 ARG 70 CZ -0.0263 -0.0091 -0.0014 664 ARG 70 NH1 -0.0234 -0.0100 -0.0052 665 ARG 70 NH2 -0.0298 -0.0088 0.0013 666 ARG 70 H -0.0087 -0.0074 -0.0078 667 ARG 70 HA -0.0126 -0.0081 -0.0072 668 ARG 70 HB2 -0.0179 -0.0087 -0.0054 669 ARG 70 HB3 -0.0148 -0.0056 -0.0001 670 ARG 70 HG2 -0.0235 -0.0070 0.0017 671 ARG 70 HG3 -0.0184 -0.0050 0.0033 672 ARG 70 HD2 -0.0187 -0.0085 -0.0045 673 ARG 70 HD3 -0.0239 -0.0105 -0.0059 674 ARG 70 HE -0.0279 -0.0078 0.0025 675 ARG 70 HH11 -0.0207 -0.0103 -0.0074 676 ARG 70 HH12 -0.0238 -0.0105 -0.0061 677 ARG 70 HH21 -0.0320 -0.0081 0.0042 678 ARG 70 HH22 -0.0304 -0.0092 0.0006 679 LEU 71 N -0.0048 -0.0029 0.0008 680 LEU 71 CA -0.0018 -0.0007 0.0043 681 LEU 71 C 0.0017 -0.0003 0.0027 682 LEU 71 O 0.0027 0.0010 0.0054 683 LEU 71 CB 0.0010 0.0005 0.0055 684 LEU 71 CG -0.0019 0.0003 0.0072 685 LEU 71 CD1 0.0013 0.0017 0.0085 686 LEU 71 CD2 -0.0055 0.0007 0.0112 687 LEU 71 H -0.0044 -0.0034 -0.0008 688 LEU 71 HA -0.0039 -0.0002 0.0074 689 LEU 71 HB2 0.0032 0.0000 0.0024 690 LEU 71 HB3 0.0032 0.0021 0.0081 691 LEU 71 HG -0.0039 -0.0013 0.0044 692 LEU 71 HD11 0.0033 0.0033 0.0113 693 LEU 71 HD12 0.0037 0.0013 0.0055 694 LEU 71 HD13 -0.0008 0.0015 0.0096 695 LEU 71 HD21 -0.0080 -0.0004 0.0102 696 LEU 71 HD22 -0.0037 0.0023 0.0141 697 LEU 71 HD23 -0.0074 0.0006 0.0124 698 LYS 72 N 0.0035 -0.0019 -0.0022 699 LYS 72 CA 0.0072 -0.0016 -0.0047 700 LYS 72 C 0.0046 -0.0024 -0.0049 701 LYS 72 O 0.0072 -0.0013 -0.0038 702 LYS 72 CB 0.0090 -0.0029 -0.0104 703 LYS 72 CG 0.0131 -0.0027 -0.0134 704 LYS 72 CD 0.0149 -0.0039 -0.0188 705 LYS 72 CE 0.0190 -0.0036 -0.0218 706 LYS 72 NZ 0.0209 -0.0047 -0.0270 707 LYS 72 H 0.0023 -0.0029 -0.0043 708 LYS 72 HA 0.0106 0.0001 -0.0024 709 LYS 72 HB2 0.0107 -0.0023 -0.0102 710 LYS 72 HB3 0.0055 -0.0046 -0.0126 711 LYS 72 HG2 0.0112 -0.0034 -0.0140 712 LYS 72 HG3 0.0165 -0.0010 -0.0111 713 LYS 72 HD2 0.0166 -0.0032 -0.0183 714 LYS 72 HD3 0.0114 -0.0056 -0.0211 715 LYS 72 HE2 0.0171 -0.0044 -0.0225 716 LYS 72 HE3 0.0223 -0.0019 -0.0194 717 LYS 72 HZ1 0.0178 -0.0064 -0.0294 718 LYS 72 HZ2 0.0228 -0.0040 -0.0265 719 LYS 72 HZ3 0.0237 -0.0045 -0.0290 720 GLN 73 N -0.0004 -0.0042 -0.0061 721 GLN 73 CA -0.0037 -0.0051 -0.0064 722 GLN 73 C -0.0050 -0.0034 -0.0011 723 GLN 73 O -0.0048 -0.0032 -0.0005 724 GLN 73 CB -0.0088 -0.0074 -0.0088 725 GLN 73 CG -0.0080 -0.0093 -0.0142 726 GLN 73 CD -0.0132 -0.0115 -0.0163 727 GLN 73 OE1 -0.0171 -0.0114 -0.0135 728 GLN 73 NE2 -0.0134 -0.0134 -0.0213 729 GLN 73 H -0.0019 -0.0048 -0.0068 730 GLN 73 HA -0.0015 -0.0055 -0.0088 731 GLN 73 HB2 -0.0110 -0.0071 -0.0064 732 GLN 73 HB3 -0.0112 -0.0081 -0.0088 733 GLN 73 HG2 -0.0061 -0.0097 -0.0167 734 GLN 73 HG3 -0.0055 -0.0086 -0.0142 735 GLN 73 HE21 -0.0102 -0.0134 -0.0233 736 GLN 73 HE22 -0.0166 -0.0149 -0.0229 737 LEU 74 N -0.0060 -0.0023 0.0028 738 LEU 74 CA -0.0074 -0.0008 0.0081 739 LEU 74 C -0.0027 0.0017 0.0108 740 LEU 74 O -0.0032 0.0030 0.0149 741 LEU 74 CB -0.0106 -0.0008 0.0107 742 LEU 74 CG -0.0129 0.0005 0.0161 743 LEU 74 CD1 -0.0164 -0.0006 0.0163 744 LEU 74 CD2 -0.0159 0.0003 0.0183 745 LEU 74 H -0.0060 -0.0026 0.0019 746 LEU 74 HA -0.0098 -0.0015 0.0080 747 LEU 74 HB2 -0.0136 -0.0025 0.0085 748 LEU 74 HB3 -0.0079 0.0001 0.0108 749 LEU 74 HG -0.0099 0.0023 0.0185 750 LEU 74 HD11 -0.0181 0.0003 0.0201 751 LEU 74 HD12 -0.0195 -0.0024 0.0139 752 LEU 74 HD13 -0.0143 -0.0004 0.0150 753 LEU 74 HD21 -0.0189 -0.0014 0.0160 754 LEU 74 HD22 -0.0175 0.0012 0.0221 755 LEU 74 HD23 -0.0133 0.0011 0.0183 756 SER 75 N 0.0017 0.0020 0.0082 757 SER 75 CA 0.0067 0.0042 0.0102 758 SER 75 C 0.0076 0.0060 0.0147 759 SER 75 O 0.0107 0.0081 0.0177 760 SER 75 CB 0.0073 0.0048 0.0115 761 SER 75 OG 0.0122 0.0068 0.0131 762 SER 75 H 0.0017 0.0009 0.0051 763 SER 75 HA 0.0096 0.0039 0.0072 764 SER 75 HB2 0.0067 0.0034 0.0082 765 SER 75 HB3 0.0043 0.0051 0.0145 766 SER 75 HG 0.0134 0.0065 0.0114 767 VAL 76 N 0.0039 0.0058 0.0147 768 VAL 76 CA 0.0044 0.0072 0.0183 769 VAL 76 C 0.0094 0.0087 0.0178 770 VAL 76 O 0.0119 0.0106 0.0212 771 VAL 76 CB 0.0008 0.0058 0.0178 772 VAL 76 CG1 0.0013 0.0073 0.0214 773 VAL 76 CG2 -0.0043 0.0044 0.0183 774 VAL 76 H 0.0018 0.0042 0.0122 775 VAL 76 HA 0.0036 0.0081 0.0218 776 VAL 76 HB 0.0016 0.0049 0.0143 777 VAL 76 HG11 -0.0012 0.0063 0.0210 778 VAL 76 HG12 0.0007 0.0083 0.0250 779 VAL 76 HG13 0.0049 0.0083 0.0209 780 VAL 76 HG21 -0.0067 0.0034 0.0179 781 VAL 76 HG22 -0.0046 0.0033 0.0156 782 VAL 76 HG23 -0.0051 0.0053 0.0217 783 GLU 77 N 0.0124 0.0064 0.0140 784 GLU 77 CA 0.0171 0.0077 0.0129 785 GLU 77 C 0.0192 0.0069 0.0075 786 GLU 77 O 0.0177 0.0055 0.0040 787 GLU 77 CB 0.0169 0.0080 0.0142 788 GLU 77 CG 0.0129 0.0060 0.0119 789 GLU 77 CD 0.0131 0.0064 0.0130 790 GLU 77 OE1 0.0117 0.0071 0.0173 791 GLU 77 OE2 0.0147 0.0060 0.0096 792 GLU 77 H 0.0102 0.0050 0.0113 793 GLU 77 HA 0.0196 0.0091 0.0154 794 GLU 77 HB2 0.0204 0.0087 0.0127 795 GLU 77 HB3 0.0166 0.0089 0.0182 796 GLU 77 HG2 0.0093 0.0052 0.0134 797 GLU 77 HG3 0.0133 0.0051 0.0078 798 PRO 78 N 0.0235 0.0068 0.0067 799 PRO 78 CA 0.0264 0.0058 0.0015 800 PRO 78 C 0.0305 0.0065 0.0004 801 PRO 78 O 0.0338 0.0084 0.0037 802 PRO 78 CB 0.0292 0.0067 0.0021 803 PRO 78 CG 0.0265 0.0076 0.0069 804 PRO 78 CD 0.0246 0.0083 0.0104 805 PRO 78 HA 0.0236 0.0040 -0.0016 806 PRO 78 HB2 0.0334 0.0080 0.0026 807 PRO 78 HB3 0.0288 0.0054 -0.0014 808 PRO 78 HG2 0.0292 0.0090 0.0088 809 PRO 78 HG3 0.0230 0.0063 0.0058 810 PRO 78 HD2 0.0277 0.0100 0.0129 811 PRO 78 HD3 0.0210 0.0082 0.0128 812 TYR 79 N 0.0309 0.0042 -0.0045 813 TYR 79 CA 0.0332 0.0046 -0.0058 814 TYR 79 C 0.0307 0.0045 -0.0021 815 TYR 79 O 0.0326 0.0056 0.0025 816 TYR 79 CB 0.0394 0.0059 -0.0059 817 TYR 79 CG 0.0420 0.0059 -0.0102 818 TYR 79 CD1 0.0431 0.0063 -0.0091 819 TYR 79 CD2 0.0431 0.0055 -0.0155 820 TYR 79 CE1 0.0453 0.0063 -0.0130 821 TYR 79 CE2 0.0454 0.0054 -0.0194 822 TYR 79 CZ 0.0465 0.0058 -0.0182 823 TYR 79 OH 0.0487 0.0058 -0.0222 824 TYR 79 H 0.0285 0.0033 -0.0071 825 TYR 79 HA 0.0318 0.0037 -0.0099 826 TYR 79 HB2 0.0408 0.0068 -0.0019 827 TYR 79 HB3 0.0408 0.0061 -0.0068 828 TYR 79 HD1 0.0422 0.0067 -0.0050 829 TYR 79 HD2 0.0423 0.0051 -0.0164 830 TYR 79 HE1 0.0462 0.0066 -0.0120 831 TYR 79 HE2 0.0463 0.0051 -0.0235 832 TYR 79 HH 0.0466 0.0049 -0.0254 833 SER 80 N 0.0262 0.0037 -0.0041 834 SER 80 CA 0.0235 0.0037 -0.0013 835 SER 80 C 0.0248 0.0036 -0.0030 836 SER 80 O 0.0285 0.0038 -0.0058 837 SER 80 CB 0.0180 0.0025 -0.0019 838 SER 80 OG 0.0149 0.0025 0.0011 839 SER 80 H 0.0251 0.0029 -0.0074 840 SER 80 HA 0.0243 0.0045 0.0025 841 SER 80 HB2 0.0173 0.0026 -0.0010 842 SER 80 HB3 0.0171 0.0017 -0.0057 843 SER 80 HG 0.0150 0.0031 0.0043 844 GLN 81 N 0.0207 0.0032 -0.0028 845 GLN 81 CA 0.0204 0.0031 -0.0038 846 GLN 81 C 0.0194 0.0031 -0.0082 847 GLN 81 O 0.0175 0.0028 -0.0098 848 GLN 81 CB 0.0173 0.0024 -0.0013 849 GLN 81 CG 0.0174 0.0025 -0.0019 850 GLN 81 CD 0.0142 0.0018 0.0002 851 GLN 81 OE1 0.0110 0.0011 0.0007 852 GLN 81 NE2 0.0150 0.0019 0.0015 853 GLN 81 H 0.0187 0.0027 -0.0012 854 GLN 81 HA 0.0232 0.0037 -0.0032 855 GLN 81 HB2 0.0178 0.0024 0.0017 856 GLN 81 HB3 0.0145 0.0019 -0.0022 857 GLN 81 HG2 0.0171 0.0025 -0.0050 858 GLN 81 HG3 0.0201 0.0030 -0.0008 859 GLN 81 HE21 0.0176 0.0024 0.0010 860 GLN 81 HE22 0.0129 0.0014 0.0028 861 GLU 82 N 0.0217 0.0032 -0.0095 862 GLU 82 CA 0.0211 0.0037 -0.0136 863 GLU 82 C 0.0240 0.0054 -0.0153 864 GLU 82 O 0.0241 0.0062 -0.0186 865 GLU 82 CB 0.0174 0.0024 -0.0148 866 GLU 82 CG 0.0164 0.0028 -0.0190 867 GLU 82 CD 0.0128 0.0014 -0.0198 868 GLU 82 OE1 0.0122 0.0011 -0.0196 869 GLU 82 OE2 0.0105 0.0006 -0.0208 870 GLU 82 H 0.0227 0.0034 -0.0085 871 GLU 82 HA 0.0213 0.0040 -0.0145 872 GLU 82 HB2 0.0155 0.0013 -0.0136 873 GLU 82 HB3 0.0172 0.0021 -0.0137 874 GLU 82 HG2 0.0182 0.0039 -0.0202 875 GLU 82 HG3 0.0167 0.0032 -0.0201 876 GLU 83 N 0.0274 0.0035 -0.0154 877 GLU 83 CA 0.0310 0.0038 -0.0177 878 GLU 83 C 0.0356 0.0041 -0.0151 879 GLU 83 O 0.0389 0.0043 -0.0169 880 GLU 83 CB 0.0297 0.0037 -0.0183 881 GLU 83 CG 0.0333 0.0040 -0.0208 882 GLU 83 CD 0.0316 0.0039 -0.0218 883 GLU 83 OE1 0.0314 0.0038 -0.0186 884 GLU 83 OE2 0.0304 0.0038 -0.0258 885 GLU 83 H 0.0268 0.0034 -0.0121 886 GLU 83 HA 0.0314 0.0038 -0.0211 887 GLU 83 HB2 0.0266 0.0035 -0.0203 888 GLU 83 HB3 0.0291 0.0036 -0.0150 889 GLU 83 HG2 0.0363 0.0042 -0.0186 890 GLU 83 HG3 0.0342 0.0041 -0.0240 891 ALA 84 N 0.0346 0.0041 -0.0107 892 ALA 84 CA 0.0386 0.0041 -0.0079 893 ALA 84 C 0.0373 0.0033 -0.0053 894 ALA 84 O 0.0395 0.0028 -0.0018 895 ALA 84 CB 0.0404 0.0037 -0.0049 896 ALA 84 H 0.0324 0.0033 -0.0092 897 ALA 84 HA 0.0411 0.0052 -0.0102 898 ALA 84 HB1 0.0432 0.0038 -0.0028 899 ALA 84 HB2 0.0378 0.0027 -0.0027 900 ALA 84 HB3 0.0416 0.0045 -0.0069 901 GLU 85 N 0.0324 0.0019 -0.0076 902 GLU 85 CA 0.0305 0.0013 -0.0055 903 GLU 85 C 0.0274 0.0022 -0.0081 904 GLU 85 O 0.0244 0.0024 -0.0085 905 GLU 85 CB 0.0288 0.0002 -0.0020 906 GLU 85 CG 0.0273 -0.0006 0.0008 907 GLU 85 CD 0.0236 -0.0002 -0.0002 908 GLU 85 OE1 0.0204 -0.0004 0.0006 909 GLU 85 OE2 0.0238 0.0003 -0.0018 910 GLU 85 H 0.0313 0.0027 -0.0100 911 GLU 85 HA 0.0326 0.0011 -0.0048 912 GLU 85 HB2 0.0309 -0.0002 -0.0007 913 GLU 85 HB3 0.0263 0.0005 -0.0028 914 GLU 85 HG2 0.0297 -0.0006 0.0006 915 GLU 85 HG3 0.0272 -0.0015 0.0035 916 ARG 86 N 0.0306 -0.0023 -0.0107 917 ARG 86 CA 0.0258 0.0032 -0.0120 918 ARG 86 C 0.0208 0.0025 -0.0075 919 ARG 86 O 0.0220 -0.0018 -0.0045 920 ARG 86 CB 0.0289 0.0071 -0.0178 921 ARG 86 CG 0.0343 0.0038 -0.0191 922 ARG 86 CD 0.0323 0.0013 -0.0153 923 ARG 86 NE 0.0378 -0.0021 -0.0164 924 ARG 86 CZ 0.0379 -0.0058 -0.0132 925 ARG 86 NH1 0.0326 -0.0063 -0.0087 926 ARG 86 NH2 0.0432 -0.0089 -0.0145 927 ARG 86 H 0.0330 -0.0054 -0.0098 928 ARG 86 HA 0.0235 0.0056 -0.0123 929 ARG 86 HB2 0.0253 0.0106 -0.0182 930 ARG 86 HB3 0.0307 0.0091 -0.0209 931 ARG 86 HG2 0.0362 0.0069 -0.0233 932 ARG 86 HG3 0.0379 0.0003 -0.0187 933 ARG 86 HD2 0.0300 -0.0014 -0.0111 934 ARG 86 HD3 0.0291 0.0050 -0.0161 935 ARG 86 HE 0.0417 -0.0017 -0.0198 936 ARG 86 HH11 0.0285 -0.0041 -0.0075 937 ARG 86 HH12 0.0326 -0.0090 -0.0062 938 ARG 86 HH21 0.0472 -0.0086 -0.0179 939 ARG 86 HH22 0.0435 -0.0117 -0.0122 940 ALA 87 N 0.0180 0.0038 -0.0130 941 ALA 87 CA 0.0115 0.0039 -0.0114 942 ALA 87 C 0.0091 0.0100 -0.0101 943 ALA 87 O 0.0051 0.0130 -0.0088 944 ALA 87 CB 0.0104 0.0035 -0.0112 945 ALA 87 H 0.0207 0.0063 -0.0134 946 ALA 87 HA 0.0092 -0.0000 -0.0113 947 ALA 87 HB1 0.0128 0.0073 -0.0113 948 ALA 87 HB2 0.0122 -0.0009 -0.0121 949 ALA 87 HB3 0.0056 0.0037 -0.0100 950 ALA 88 N 0.0092 0.0127 -0.0111 951 ALA 88 CA 0.0084 0.0196 -0.0133 952 ALA 88 C 0.0100 0.0177 -0.0131 953 ALA 88 O 0.0166 0.0179 -0.0151 954 ALA 88 CB 0.0138 0.0252 -0.0169 955 ALA 88 H 0.0137 0.0092 -0.0111 956 ALA 88 HA 0.0025 0.0221 -0.0125 957 ALA 88 HB1 0.0198 0.0228 -0.0178 958 ALA 88 HB2 0.0126 0.0264 -0.0170 959 ALA 88 HB3 0.0130 0.0304 -0.0185 960 GLY 89 N -0.0022 0.0193 -0.0114 961 GLY 89 CA -0.0039 0.0144 -0.0097 962 GLY 89 C -0.0225 0.0134 -0.0030 963 GLY 89 O -0.0326 0.0266 -0.0025 964 GLY 89 H -0.0116 0.0182 -0.0079 965 GLY 89 HA2 0.0016 0.0242 -0.0138 966 GLY 89 HA3 0.0027 0.0017 -0.0091 967 MET 90 N -0.0361 -0.0044 0.0051 968 MET 90 CA -0.0493 -0.0077 0.0148 969 MET 90 C -0.0511 0.0002 0.0106 970 MET 90 O -0.0590 0.0138 0.0061 971 MET 90 CB -0.0654 -0.0035 0.0210 972 MET 90 CG -0.0794 -0.0094 0.0327 973 MET 90 SD -0.0867 -0.0021 0.0321 974 MET 90 CE -0.1033 -0.0103 0.0468 975 MET 90 H -0.0270 -0.0131 0.0057 976 MET 90 HA -0.0458 -0.0200 0.0209 977 MET 90 HB2 -0.0629 -0.0080 0.0226 978 MET 90 HB3 -0.0694 0.0089 0.0151 979 MET 90 HG2 -0.0753 -0.0218 0.0386 980 MET 90 HG3 -0.0892 -0.0064 0.0363 981 MET 90 HE1 -0.0990 -0.0227 0.0525 982 MET 90 HE2 -0.1090 -0.0068 0.0477 983 MET 90 HE3 -0.1118 -0.0064 0.0490 984 GLY 91 N -0.0650 -0.0142 0.0206 985 GLY 91 CA -0.0644 -0.0173 0.0222 986 GLY 91 C -0.0635 -0.0192 0.0256 987 GLY 91 O -0.0633 -0.0227 0.0254 988 GLY 91 H -0.0652 -0.0149 0.0197 989 GLY 91 HA2 -0.0643 -0.0160 0.0231 990 GLY 91 HA3 -0.0648 -0.0196 0.0199 991 SER 92 N -0.0608 -0.0172 0.0255 992 SER 92 CA -0.0549 -0.0175 0.0319 993 SER 92 C -0.0556 -0.0178 0.0262 994 SER 92 O -0.0646 -0.0167 0.0246 995 SER 92 CB -0.0596 -0.0160 0.0436 996 SER 92 OG -0.0589 -0.0157 0.0487 997 SER 92 H -0.0688 -0.0161 0.0246 998 SER 92 HA -0.0463 -0.0186 0.0324 999 SER 92 HB2 -0.0682 -0.0149 0.0432 1000 SER 92 HB3 -0.0549 -0.0163 0.0486 1001 SER 92 HG -0.0570 -0.0164 0.0428 1002 TYR 93 N -0.0402 -0.0189 0.0199 1003 TYR 93 CA -0.0275 -0.0269 0.0079 1004 TYR 93 C -0.0116 -0.0140 0.0075 1005 TYR 93 O -0.0108 -0.0001 0.0159 1006 TYR 93 CB -0.0255 -0.0365 0.0006 1007 TYR 93 CG -0.0143 -0.0474 -0.0125 1008 TYR 93 CD1 -0.0204 -0.0627 -0.0190 1009 TYR 93 CD2 0.0024 -0.0424 -0.0184 1010 TYR 93 CE1 -0.0103 -0.0728 -0.0309 1011 TYR 93 CE2 0.0125 -0.0524 -0.0304 1012 TYR 93 CZ 0.0061 -0.0676 -0.0366 1013 TYR 93 OH 0.0163 -0.0775 -0.0485 1014 TYR 93 H -0.0393 -0.0122 0.0237 1015 TYR 93 HA -0.0308 -0.0347 0.0047 1016 TYR 93 HB2 -0.0375 -0.0437 0.0025 1017 TYR 93 HB3 -0.0207 -0.0283 0.0033 1018 TYR 93 HD1 -0.0334 -0.0668 -0.0145 1019 TYR 93 HD2 0.0074 -0.0305 -0.0135 1020 TYR 93 HE1 -0.0154 -0.0847 -0.0358 1021 TYR 93 HE2 0.0255 -0.0484 -0.0349 1022 TYR 93 HH 0.0258 -0.0717 -0.0500 1023 VAL 94 N 0.0001 -0.0193 -0.0037 1024 VAL 94 CA 0.0160 -0.0071 -0.0065 1025 VAL 94 C 0.0245 0.0018 -0.0065 1026 VAL 94 O 0.0301 -0.0063 -0.0150 1027 VAL 94 CB 0.0279 -0.0147 -0.0187 1028 VAL 94 CG1 0.0315 -0.0298 -0.0302 1029 VAL 94 CG2 0.0440 -0.0013 -0.0208 1030 VAL 94 H -0.0014 -0.0312 -0.0100 1031 VAL 94 HA 0.0128 0.0026 0.0014 1032 VAL 94 HB 0.0216 -0.0191 -0.0173 1033 VAL 94 HG11 0.0397 -0.0346 -0.0383 1034 VAL 94 HG12 0.0374 -0.0260 -0.0316 1035 VAL 94 HG13 0.0200 -0.0396 -0.0287 1036 VAL 94 HG21 0.0502 0.0038 -0.0218 1037 VAL 94 HG22 0.0520 -0.0068 -0.0293 1038 VAL 94 HG23 0.0412 0.0087 -0.0130