1 ASP 28 N -0.0108 -0.0248 -0.0224 2 ASP 28 CA -0.0001 -0.0151 -0.0066 3 ASP 28 C 0.0174 -0.0258 0.0052 4 ASP 28 O 0.0231 -0.0448 0.0009 5 ASP 28 CB -0.0017 -0.0159 -0.0086 6 ASP 28 CG 0.0089 -0.0059 0.0072 7 ASP 28 OD1 0.0058 0.0130 0.0141 8 ASP 28 OD2 0.0198 -0.0166 0.0125 9 ASP 28 H -0.0229 -0.0179 -0.0309 10 ASP 28 HA -0.0039 0.0007 -0.0021 11 ASP 28 HB2 -0.0142 -0.0081 -0.0170 12 ASP 28 HB3 0.0018 -0.0317 -0.0134 13 PRO 29 N 0.0050 -0.0139 -0.0168 14 PRO 29 CA 0.0285 -0.0097 -0.0168 15 PRO 29 C 0.0417 -0.0243 -0.0293 16 PRO 29 O 0.0378 -0.0307 -0.0335 17 PRO 29 CB 0.0335 0.0075 -0.0050 18 PRO 29 CG 0.0119 0.0149 0.0033 19 PRO 29 CD -0.0049 -0.0007 -0.0059 20 PRO 29 HA 0.0325 -0.0073 -0.0156 21 PRO 29 HB2 0.0414 0.0040 -0.0086 22 PRO 29 HB3 0.0446 0.0166 0.0002 23 PRO 29 HG2 0.0120 0.0217 0.0083 24 PRO 29 HG3 0.0086 0.0240 0.0104 25 PRO 29 HD2 -0.0075 -0.0058 -0.0092 26 PRO 29 HD3 -0.0200 0.0033 -0.0009 27 ASN 30 N 0.0100 -0.0041 0.0339 28 ASN 30 CA 0.0015 0.0082 0.0173 29 ASN 30 C -0.0053 0.0182 0.0040 30 ASN 30 O -0.0244 0.0160 -0.0004 31 ASN 30 CB -0.0166 0.0017 0.0181 32 ASN 30 CG -0.0271 0.0137 0.0012 33 ASN 30 OD1 -0.0198 0.0205 -0.0036 34 ASN 30 ND2 -0.0443 0.0160 -0.0075 35 ASN 30 H 0.0239 -0.0052 0.0400 36 ASN 30 HA 0.0147 0.0157 0.0139 37 ASN 30 HB2 -0.0097 -0.0039 0.0267 38 ASN 30 HB3 -0.0280 -0.0068 0.0234 39 ASN 30 HD21 -0.0498 0.0100 -0.0028 40 ASN 30 HD22 -0.0512 0.0238 -0.0184 41 ALA 31 N -0.0034 0.0627 -0.0272 42 ALA 31 CA -0.0051 0.0358 -0.0144 43 ALA 31 C -0.0140 0.0518 0.0106 44 ALA 31 O -0.0235 0.0540 0.0416 45 ALA 31 CB -0.0078 0.0039 0.0029 46 ALA 31 H -0.0088 0.0857 -0.0154 47 ALA 31 HA 0.0023 0.0260 -0.0363 48 ALA 31 HB1 -0.0086 -0.0161 0.0110 49 ALA 31 HB2 -0.0152 0.0132 0.0250 50 ALA 31 HB3 -0.0014 -0.0075 -0.0151 51 GLU 32 N -0.0054 0.0562 0.0063 52 GLU 32 CA -0.0249 0.0251 0.0003 53 GLU 32 C -0.0354 -0.0018 -0.0033 54 GLU 32 O -0.0585 -0.0261 -0.0100 55 GLU 32 CB -0.0014 0.0050 0.0054 56 GLU 32 CG 0.0342 -0.0116 0.0137 57 GLU 32 CD 0.0554 -0.0322 0.0182 58 GLU 32 OE1 0.0492 -0.0665 0.0154 59 GLU 32 OE2 0.0782 -0.0148 0.0245 60 GLU 32 H 0.0213 0.0550 0.0129 61 GLU 32 HA -0.0486 0.0371 -0.0052 62 GLU 32 HB2 -0.0171 -0.0175 0.0007 63 GLU 32 HB3 0.0051 0.0252 0.0078 64 GLU 32 HG2 0.0509 0.0109 0.0187 65 GLU 32 HG3 0.0279 -0.0309 0.0114 66 PHE 33 N -0.0187 -0.0283 0.0022 67 PHE 33 CA -0.0196 -0.0327 0.0018 68 PHE 33 C -0.0220 -0.0338 0.0037 69 PHE 33 O -0.0225 -0.0312 0.0048 70 PHE 33 CB -0.0167 -0.0347 -0.0013 71 PHE 33 CG -0.0147 -0.0330 -0.0026 72 PHE 33 CD1 -0.0155 -0.0345 -0.0022 73 PHE 33 CD2 -0.0122 -0.0299 -0.0040 74 PHE 33 CE1 -0.0138 -0.0330 -0.0034 75 PHE 33 CE2 -0.0104 -0.0283 -0.0051 76 PHE 33 CZ -0.0113 -0.0299 -0.0048 77 PHE 33 H -0.0172 -0.0269 0.0013 78 PHE 33 HA -0.0206 -0.0337 0.0025 79 PHE 33 HB2 -0.0174 -0.0379 -0.0015 80 PHE 33 HB3 -0.0151 -0.0342 -0.0025 81 PHE 33 HD1 -0.0175 -0.0369 -0.0011 82 PHE 33 HD2 -0.0115 -0.0287 -0.0043 83 PHE 33 HE1 -0.0145 -0.0342 -0.0031 84 PHE 33 HE2 -0.0084 -0.0259 -0.0063 85 PHE 33 HZ -0.0099 -0.0286 -0.0057 86 ASP 34 N -0.0144 -0.0255 0.0036 87 ASP 34 CA -0.0127 -0.0204 0.0004 88 ASP 34 C -0.0110 -0.0158 0.0049 89 ASP 34 O -0.0108 -0.0157 0.0092 90 ASP 34 CB -0.0124 -0.0193 -0.0035 91 ASP 34 CG -0.0108 -0.0143 -0.0073 92 ASP 34 OD1 -0.0092 -0.0097 -0.0052 93 ASP 34 OD2 -0.0112 -0.0150 -0.0125 94 ASP 34 H -0.0146 -0.0263 0.0053 95 ASP 34 HA -0.0128 -0.0207 -0.0022 96 ASP 34 HB2 -0.0137 -0.0228 -0.0062 97 ASP 34 HB3 -0.0121 -0.0186 -0.0007 98 PRO 35 N -0.0116 -0.0096 -0.0108 99 PRO 35 CA -0.0016 -0.0016 -0.0031 100 PRO 35 C 0.0034 0.0050 -0.0026 101 PRO 35 O 0.0119 0.0122 0.0034 102 PRO 35 CB 0.0010 0.0067 -0.0094 103 PRO 35 CG -0.0057 0.0075 -0.0230 104 PRO 35 CD -0.0146 -0.0043 -0.0235 105 PRO 35 HA 0.0004 -0.0059 0.0063 106 PRO 35 HB2 0.0080 0.0149 -0.0075 107 PRO 35 HB3 0.0004 0.0033 -0.0060 108 PRO 35 HG2 -0.0033 0.0138 -0.0270 109 PRO 35 HG3 -0.0066 0.0098 -0.0278 110 PRO 35 HD2 -0.0179 -0.0037 -0.0306 111 PRO 35 HD3 -0.0191 -0.0092 -0.0253 112 ASP 36 N 0.0032 0.0158 -0.0158 113 ASP 36 CA 0.0056 0.0032 -0.0090 114 ASP 36 C 0.0046 -0.0096 -0.0004 115 ASP 36 O 0.0124 -0.0217 0.0035 116 ASP 36 CB -0.0060 0.0054 -0.0048 117 ASP 36 CG -0.0044 -0.0076 0.0026 118 ASP 36 OD1 0.0064 -0.0105 -0.0007 119 ASP 36 OD2 -0.0141 -0.0152 0.0120 120 ASP 36 H -0.0073 0.0205 -0.0137 121 ASP 36 HA 0.0169 0.0016 -0.0133 122 ASP 36 HB2 -0.0044 0.0143 -0.0112 123 ASP 36 HB3 -0.0173 0.0079 -0.0010 124 LEU 37 N -0.0054 0.0037 0.0050 125 LEU 37 CA -0.0057 0.0035 0.0062 126 LEU 37 C -0.0063 0.0031 0.0081 127 LEU 37 O -0.0070 0.0022 0.0083 128 LEU 37 CB -0.0065 0.0023 0.0053 129 LEU 37 CG -0.0060 0.0027 0.0036 130 LEU 37 CD1 -0.0050 0.0040 0.0042 131 LEU 37 CD2 -0.0055 0.0029 0.0020 132 LEU 37 H -0.0059 0.0029 0.0043 133 LEU 37 HA -0.0049 0.0045 0.0063 134 LEU 37 HB2 -0.0072 0.0014 0.0048 135 LEU 37 HB3 -0.0069 0.0020 0.0064 136 LEU 37 HG -0.0066 0.0017 0.0033 137 LEU 37 HD11 -0.0046 0.0042 0.0030 138 LEU 37 HD12 -0.0043 0.0049 0.0046 139 LEU 37 HD13 -0.0054 0.0037 0.0053 140 LEU 37 HD21 -0.0051 0.0032 0.0009 141 LEU 37 HD22 -0.0062 0.0020 0.0015 142 LEU 37 HD23 -0.0048 0.0038 0.0023 143 PRO 38 N -0.0046 0.0025 0.0099 144 PRO 38 CA -0.0032 0.0017 0.0103 145 PRO 38 C 0.0002 -0.0005 0.0099 146 PRO 38 O 0.0011 -0.0017 0.0075 147 PRO 38 CB -0.0048 0.0019 0.0072 148 PRO 38 CG -0.0078 0.0035 0.0062 149 PRO 38 CD -0.0072 0.0033 0.0070 150 PRO 38 HA -0.0034 0.0025 0.0128 151 PRO 38 HB2 -0.0035 0.0005 0.0051 152 PRO 38 HB3 -0.0052 0.0024 0.0081 153 PRO 38 HG2 -0.0086 0.0033 0.0035 154 PRO 38 HG3 -0.0095 0.0050 0.0078 155 PRO 38 HD2 -0.0065 0.0023 0.0047 156 PRO 38 HD3 -0.0092 0.0048 0.0078 157 GLY 39 N 0.0016 -0.0008 0.0108 158 GLY 39 CA 0.0044 -0.0028 0.0108 159 GLY 39 C 0.0033 -0.0007 0.0115 160 GLY 39 O 0.0041 -0.0025 0.0108 161 GLY 39 H 0.0028 0.0010 0.0122 162 GLY 39 HA2 0.0078 -0.0027 0.0121 163 GLY 39 HA3 0.0039 -0.0060 0.0090 164 GLY 40 N -0.0047 -0.0010 0.0069 165 GLY 40 CA -0.0053 -0.0016 0.0051 166 GLY 40 C -0.0051 -0.0015 0.0053 167 GLY 40 O -0.0057 -0.0021 0.0040 168 GLY 40 H -0.0034 -0.0007 0.0069 169 GLY 40 HA2 -0.0043 -0.0018 0.0038 170 GLY 40 HA3 -0.0069 -0.0020 0.0048 171 GLY 41 N -0.0037 0.0096 0.0023 172 GLY 41 CA -0.0029 0.0101 0.0031 173 GLY 41 C -0.0013 0.0120 0.0026 174 GLY 41 O -0.0003 0.0126 0.0034 175 GLY 41 H -0.0045 0.0091 0.0010 176 GLY 41 HA2 -0.0035 0.0097 0.0024 177 GLY 41 HA3 -0.0027 0.0097 0.0048 178 LEU 42 N 0.0008 0.0058 0.0032 179 LEU 42 CA 0.0018 0.0144 0.0023 180 LEU 42 C 0.0023 0.0140 -0.0005 181 LEU 42 O 0.0030 0.0206 -0.0005 182 LEU 42 CB 0.0036 0.0193 -0.0043 183 LEU 42 CG 0.0034 0.0204 -0.0025 184 LEU 42 CD1 0.0053 0.0252 -0.0097 185 LEU 42 CD2 0.0021 0.0252 0.0061 186 LEU 42 H 0.0016 0.0032 -0.0020 187 LEU 42 HA 0.0009 0.0179 0.0083 188 LEU 42 HB2 0.0046 0.0158 -0.0104 189 LEU 42 HB3 0.0044 0.0256 -0.0049 190 LEU 42 HG 0.0027 0.0141 -0.0022 191 LEU 42 HD11 0.0051 0.0261 -0.0082 192 LEU 42 HD12 0.0061 0.0316 -0.0103 193 LEU 42 HD13 0.0062 0.0215 -0.0156 194 LEU 42 HD21 0.0027 0.0315 0.0059 195 LEU 42 HD22 0.0019 0.0260 0.0071 196 LEU 42 HD23 0.0006 0.0214 0.0112 197 HIS 43 N 0.0190 -0.0112 -0.0031 198 HIS 43 CA 0.0202 -0.0148 -0.0078 199 HIS 43 C 0.0140 -0.0103 -0.0173 200 HIS 43 O 0.0086 -0.0024 -0.0160 201 HIS 43 CB 0.0213 -0.0130 0.0004 202 HIS 43 CG 0.0270 -0.0163 0.0110 203 HIS 43 ND1 0.0339 -0.0251 0.0125 204 HIS 43 CD2 0.0265 -0.0118 0.0209 205 HIS 43 CE1 0.0376 -0.0259 0.0226 206 HIS 43 NE2 0.0332 -0.0180 0.0278 207 HIS 43 H 0.0146 -0.0046 -0.0012 208 HIS 43 HA 0.0248 -0.0221 -0.0107 209 HIS 43 HB2 0.0165 -0.0058 0.0020 210 HIS 43 HB3 0.0228 -0.0165 -0.0034 211 HIS 43 HD1 0.0360 -0.0302 0.0067 212 HIS 43 HD2 0.0218 -0.0046 0.0228 213 HIS 43 HE1 0.0432 -0.0321 0.0259 214 HIS 43 HE2 0.0347 -0.0171 0.0351 215 ARG 44 N 0.0127 0.0064 -0.0136 216 ARG 44 CA 0.0058 0.0013 -0.0135 217 ARG 44 C 0.0059 -0.0044 -0.0165 218 ARG 44 O 0.0095 -0.0032 -0.0173 219 ARG 44 CB -0.0007 0.0050 -0.0090 220 ARG 44 CG -0.0011 0.0121 -0.0051 221 ARG 44 CD -0.0073 0.0154 -0.0010 222 ARG 44 NE -0.0078 0.0226 0.0030 223 ARG 44 CZ -0.0134 0.0262 0.0070 224 ARG 44 NH1 -0.0189 0.0233 0.0077 225 ARG 44 NH2 -0.0135 0.0327 0.0104 226 ARG 44 H 0.0146 0.0087 -0.0131 227 ARG 44 HA 0.0045 -0.0008 -0.0141 228 ARG 44 HB2 -0.0004 0.0055 -0.0088 229 ARG 44 HB3 -0.0059 0.0013 -0.0088 230 ARG 44 HG2 -0.0021 0.0114 -0.0051 231 ARG 44 HG3 0.0043 0.0155 -0.0055 232 ARG 44 HD2 -0.0065 0.0157 -0.0012 233 ARG 44 HD3 -0.0126 0.0119 -0.0007 234 ARG 44 HE -0.0036 0.0249 0.0025 235 ARG 44 HH11 -0.0190 0.0184 0.0052 236 ARG 44 HH12 -0.0231 0.0259 0.0107 237 ARG 44 HH21 -0.0094 0.0352 0.0101 238 ARG 44 HH22 -0.0176 0.0355 0.0135 239 CYS 45 N 0.0064 0.0050 -0.0071 240 CYS 45 CA 0.0045 0.0035 -0.0033 241 CYS 45 C 0.0026 0.0035 -0.0016 242 CYS 45 O 0.0046 0.0020 -0.0014 243 CYS 45 CB 0.0072 0.0002 -0.0013 244 CYS 45 SG 0.0050 -0.0019 0.0037 245 CYS 45 H 0.0088 0.0040 -0.0080 246 CYS 45 HA 0.0023 0.0049 -0.0033 247 CYS 45 HB2 0.0082 0.0005 -0.0025 248 CYS 45 HB3 0.0097 -0.0010 -0.0019 249 LEU 46 N -0.0118 0.0066 0.0170 250 LEU 46 CA -0.0135 0.0075 0.0090 251 LEU 46 C -0.0072 0.0086 0.0160 252 LEU 46 O -0.0015 0.0121 0.0097 253 LEU 46 CB -0.0274 0.0027 0.0057 254 LEU 46 CG -0.0344 0.0015 -0.0021 255 LEU 46 CD1 -0.0483 -0.0036 -0.0039 256 LEU 46 CD2 -0.0290 0.0063 -0.0155 257 LEU 46 H -0.0192 0.0030 0.0206 258 LEU 46 HA -0.0090 0.0111 -0.0001 259 LEU 46 HB2 -0.0319 -0.0009 0.0149 260 LEU 46 HB3 -0.0285 0.0034 0.0000 261 LEU 46 HG -0.0329 0.0010 0.0036 262 LEU 46 HD11 -0.0522 -0.0070 0.0057 263 LEU 46 HD12 -0.0530 -0.0043 -0.0098 264 LEU 46 HD13 -0.0497 -0.0032 -0.0088 265 LEU 46 HD21 -0.0193 0.0098 -0.0141 266 LEU 46 HD22 -0.0297 0.0071 -0.0210 267 LEU 46 HD23 -0.0343 0.0052 -0.0208 268 ALA 47 N -0.0137 0.0135 0.0277 269 ALA 47 CA -0.0151 0.0098 0.0283 270 ALA 47 C -0.0139 0.0089 0.0281 271 ALA 47 O -0.0156 0.0064 0.0287 272 ALA 47 CB -0.0137 0.0065 0.0282 273 ALA 47 H -0.0118 0.0136 0.0271 274 ALA 47 HA -0.0181 0.0099 0.0292 275 ALA 47 HB1 -0.0149 0.0038 0.0287 276 ALA 47 HB2 -0.0106 0.0063 0.0274 277 ALA 47 HB3 -0.0145 0.0072 0.0284 278 CYS 48 N 0.0056 0.0071 0.0054 279 CYS 48 CA 0.0100 0.0032 0.0040 280 CYS 48 C 0.0111 0.0034 0.0009 281 CYS 48 O 0.0145 0.0001 0.0002 282 CYS 48 CB 0.0128 0.0016 0.0010 283 CYS 48 SG 0.0123 0.0002 0.0051 284 CYS 48 H 0.0043 0.0098 0.0026 285 CYS 48 HA 0.0106 0.0007 0.0078 286 CYS 48 HB2 0.0123 0.0038 -0.0026 287 CYS 48 HB3 0.0160 -0.0014 0.0000 288 ALA 49 N 0.0029 0.0072 0.0002 289 ALA 49 CA 0.0032 0.0065 -0.0004 290 ALA 49 C 0.0039 0.0047 -0.0035 291 ALA 49 O 0.0045 0.0031 -0.0040 292 ALA 49 CB 0.0038 0.0048 0.0024 293 ALA 49 H 0.0021 0.0093 0.0004 294 ALA 49 HA 0.0024 0.0085 -0.0007 295 ALA 49 HB1 0.0046 0.0027 0.0027 296 ALA 49 HB2 0.0033 0.0061 0.0046 297 ALA 49 HB3 0.0040 0.0043 0.0020 298 ARG 50 N 0.0099 -0.0012 -0.0065 299 ARG 50 CA 0.0056 -0.0018 -0.0050 300 ARG 50 C 0.0079 -0.0027 -0.0021 301 ARG 50 O 0.0125 -0.0023 -0.0033 302 ARG 50 CB 0.0023 -0.0003 -0.0097 303 ARG 50 CG -0.0007 0.0006 -0.0127 304 ARG 50 CD -0.0039 0.0021 -0.0172 305 ARG 50 NE -0.0067 0.0030 -0.0202 306 ARG 50 CZ -0.0095 0.0044 -0.0247 307 ARG 50 NH1 -0.0100 0.0050 -0.0265 308 ARG 50 NH2 -0.0118 0.0052 -0.0272 309 ARG 50 H 0.0124 -0.0003 -0.0093 310 ARG 50 HA 0.0029 -0.0027 -0.0024 311 ARG 50 HB2 0.0050 0.0006 -0.0123 312 ARG 50 HB3 -0.0007 -0.0008 -0.0083 313 ARG 50 HG2 -0.0035 -0.0002 -0.0101 314 ARG 50 HG3 0.0022 0.0011 -0.0141 315 ARG 50 HD2 -0.0011 0.0029 -0.0197 316 ARG 50 HD3 -0.0069 0.0016 -0.0157 317 ARG 50 HE -0.0065 0.0025 -0.0188 318 ARG 50 HH11 -0.0083 0.0044 -0.0247 319 ARG 50 HH12 -0.0120 0.0061 -0.0298 320 ARG 50 HH21 -0.0116 0.0048 -0.0259 321 ARG 50 HH22 -0.0138 0.0063 -0.0306 322 TYR 51 N 0.0010 -0.0032 -0.0072 323 TYR 51 CA 0.0033 -0.0004 -0.0077 324 TYR 51 C 0.0056 -0.0016 -0.0106 325 TYR 51 O 0.0050 -0.0040 -0.0114 326 TYR 51 CB 0.0022 0.0015 -0.0056 327 TYR 51 CG -0.0003 0.0026 -0.0026 328 TYR 51 CD1 -0.0032 0.0004 -0.0012 329 TYR 51 CD2 0.0001 0.0058 -0.0012 330 TYR 51 CE1 -0.0055 0.0013 0.0015 331 TYR 51 CE2 -0.0022 0.0067 0.0015 332 TYR 51 CZ -0.0050 0.0045 0.0028 333 TYR 51 OH -0.0073 0.0055 0.0055 334 TYR 51 H -0.0002 -0.0046 -0.0069 335 TYR 51 HA 0.0041 0.0014 -0.0075 336 TYR 51 HB2 0.0015 -0.0003 -0.0060 337 TYR 51 HB3 0.0040 0.0037 -0.0060 338 TYR 51 HD1 -0.0036 -0.0021 -0.0023 339 TYR 51 HD2 0.0023 0.0075 -0.0023 340 TYR 51 HE1 -0.0077 -0.0004 0.0025 341 TYR 51 HE2 -0.0018 0.0093 0.0026 342 TYR 51 HH -0.0087 0.0047 0.0065 343 PHE 52 N 0.0170 -0.0053 -0.0091 344 PHE 52 CA 0.0158 -0.0048 -0.0078 345 PHE 52 C 0.0150 -0.0062 -0.0069 346 PHE 52 O 0.0154 -0.0077 -0.0071 347 PHE 52 CB 0.0155 -0.0045 -0.0075 348 PHE 52 CG 0.0162 -0.0031 -0.0084 349 PHE 52 CD1 0.0174 -0.0035 -0.0096 350 PHE 52 CD2 0.0157 -0.0015 -0.0080 351 PHE 52 CE1 0.0180 -0.0022 -0.0105 352 PHE 52 CE2 0.0164 -0.0002 -0.0088 353 PHE 52 CZ 0.0175 -0.0006 -0.0100 354 PHE 52 H 0.0173 -0.0063 -0.0094 355 PHE 52 HA 0.0156 -0.0036 -0.0077 356 PHE 52 HB2 0.0157 -0.0057 -0.0077 357 PHE 52 HB3 0.0146 -0.0042 -0.0066 358 PHE 52 HD1 0.0177 -0.0048 -0.0100 359 PHE 52 HD2 0.0149 -0.0012 -0.0071 360 PHE 52 HE1 0.0189 -0.0025 -0.0114 361 PHE 52 HE2 0.0160 0.0011 -0.0085 362 PHE 52 HZ 0.0180 0.0004 -0.0107 363 ILE 53 N 0.0117 -0.0142 0.0016 364 ILE 53 CA 0.0138 -0.0132 0.0073 365 ILE 53 C 0.0205 -0.0150 0.0080 366 ILE 53 O 0.0233 -0.0144 0.0128 367 ILE 53 CB 0.0107 -0.0120 0.0086 368 ILE 53 CG1 0.0117 -0.0136 0.0038 369 ILE 53 CG2 0.0041 -0.0100 0.0094 370 ILE 53 CD1 0.0089 -0.0126 0.0048 371 ILE 53 H 0.0090 -0.0141 -0.0008 372 ILE 53 HA 0.0126 -0.0120 0.0106 373 ILE 53 HB 0.0127 -0.0114 0.0128 374 ILE 53 HG12 0.0098 -0.0142 -0.0004 375 ILE 53 HG13 0.0163 -0.0150 0.0035 376 ILE 53 HG21 0.0021 -0.0105 0.0054 377 ILE 53 HG22 0.0036 -0.0088 0.0130 378 ILE 53 HG23 0.0020 -0.0091 0.0102 379 ILE 53 HD11 0.0109 -0.0120 0.0089 380 ILE 53 HD12 0.0097 -0.0138 0.0012 381 ILE 53 HD13 0.0042 -0.0111 0.0051 382 ASP 54 N 0.0139 -0.0218 0.0036 383 ASP 54 CA 0.0127 -0.0271 0.0063 384 ASP 54 C 0.0196 -0.0218 0.0000 385 ASP 54 O 0.0220 -0.0116 -0.0053 386 ASP 54 CB 0.0005 -0.0246 0.0131 387 ASP 54 CG -0.0017 -0.0304 0.0166 388 ASP 54 OD1 -0.0027 -0.0413 0.0214 389 ASP 54 OD2 -0.0024 -0.0242 0.0148 390 ASP 54 H 0.0153 -0.0134 -0.0005 391 ASP 54 HA 0.0156 -0.0368 0.0082 392 ASP 54 HB2 -0.0043 -0.0280 0.0173 393 ASP 54 HB3 -0.0023 -0.0148 0.0112 394 SER 55 N 0.0147 -0.0191 0.0080 395 SER 55 CA 0.0219 -0.0147 0.0021 396 SER 55 C 0.0159 -0.0042 -0.0009 397 SER 55 O 0.0208 0.0029 -0.0071 398 SER 55 CB 0.0264 -0.0227 0.0044 399 SER 55 OG 0.0332 -0.0188 -0.0010 400 SER 55 H 0.0130 -0.0259 0.0125 401 SER 55 HA 0.0286 -0.0133 -0.0019 402 SER 55 HB2 0.0313 -0.0295 0.0058 403 SER 55 HB3 0.0200 -0.0253 0.0089 404 SER 55 HG 0.0288 -0.0153 -0.0009 405 THR 56 N 0.0056 -0.0001 -0.0026 406 THR 56 CA -0.0021 0.0095 -0.0100 407 THR 56 C 0.0027 0.0064 -0.0057 408 THR 56 O 0.0042 0.0185 -0.0058 409 THR 56 CB -0.0172 0.0039 -0.0218 410 THR 56 OG1 -0.0212 0.0048 -0.0252 411 THR 56 CG2 -0.0257 0.0155 -0.0300 412 THR 56 H 0.0007 -0.0094 -0.0056 413 THR 56 HA -0.0006 0.0231 -0.0103 414 THR 56 HB -0.0184 -0.0092 -0.0213 415 THR 56 HG1 -0.0185 -0.0059 -0.0218 416 THR 56 HG21 -0.0362 0.0111 -0.0382 417 THR 56 HG22 -0.0242 0.0287 -0.0302 418 THR 56 HG23 -0.0227 0.0148 -0.0275 419 ASN 57 N 0.0089 0.0010 -0.0098 420 ASN 57 CA 0.0126 0.0005 -0.0080 421 ASN 57 C 0.0184 0.0037 -0.0044 422 ASN 57 O 0.0206 0.0069 -0.0027 423 ASN 57 CB 0.0138 -0.0068 -0.0086 424 ASN 57 CG 0.0088 -0.0093 -0.0117 425 ASN 57 OD1 0.0088 -0.0088 -0.0115 426 ASN 57 ND2 0.0045 -0.0121 -0.0144 427 ASN 57 H 0.0084 -0.0032 -0.0108 428 ASN 57 HA 0.0102 0.0032 -0.0087 429 ASN 57 HB2 0.0142 -0.0097 -0.0089 430 ASN 57 HB3 0.0179 -0.0074 -0.0065 431 ASN 57 HD21 0.0045 -0.0126 -0.0145 432 ASN 57 HD22 0.0013 -0.0138 -0.0164 433 LEU 58 N 0.0167 0.0027 -0.0062 434 LEU 58 CA 0.0179 0.0028 -0.0070 435 LEU 58 C 0.0174 0.0037 -0.0061 436 LEU 58 O 0.0184 0.0050 -0.0062 437 LEU 58 CB 0.0182 0.0007 -0.0084 438 LEU 58 CG 0.0193 0.0004 -0.0093 439 LEU 58 CD1 0.0182 0.0000 -0.0087 440 LEU 58 CD2 0.0210 0.0021 -0.0097 441 LEU 58 H 0.0160 0.0014 -0.0064 442 LEU 58 HA 0.0192 0.0038 -0.0074 443 LEU 58 HB2 0.0189 0.0004 -0.0090 444 LEU 58 HB3 0.0169 -0.0003 -0.0080 445 LEU 58 HG 0.0197 -0.0009 -0.0103 446 LEU 58 HD11 0.0190 -0.0002 -0.0094 447 LEU 58 HD12 0.0177 0.0013 -0.0077 448 LEU 58 HD13 0.0171 -0.0012 -0.0086 449 LEU 58 HD21 0.0206 0.0034 -0.0087 450 LEU 58 HD22 0.0218 0.0018 -0.0104 451 LEU 58 HD23 0.0218 0.0023 -0.0101 452 LYS 59 N 0.0120 0.0169 0.0020 453 LYS 59 CA 0.0083 0.0203 0.0070 454 LYS 59 C 0.0107 0.0220 0.0115 455 LYS 59 O 0.0105 0.0246 0.0166 456 LYS 59 CB 0.0012 0.0209 0.0052 457 LYS 59 CG -0.0007 0.0198 0.0022 458 LYS 59 CD -0.0077 0.0204 0.0001 459 LYS 59 CE -0.0119 0.0238 0.0051 460 LYS 59 NZ -0.0111 0.0255 0.0087 461 LYS 59 H 0.0102 0.0153 -0.0019 462 LYS 59 HA 0.0091 0.0211 0.0091 463 LYS 59 HB2 -0.0014 0.0234 0.0089 464 LYS 59 HB3 -0.0003 0.0198 0.0023 465 LYS 59 HG2 0.0020 0.0174 -0.0015 466 LYS 59 HG3 0.0004 0.0211 0.0051 467 LYS 59 HD2 -0.0087 0.0193 -0.0025 468 LYS 59 HD3 -0.0087 0.0193 -0.0025 469 LYS 59 HE2 -0.0108 0.0249 0.0077 470 LYS 59 HE3 -0.0167 0.0240 0.0033 471 LYS 59 HZ1 -0.0125 0.0246 0.0063 472 LYS 59 HZ2 -0.0140 0.0278 0.0120 473 LYS 59 HZ3 -0.0066 0.0254 0.0105 474 THR 60 N 0.0007 0.0156 0.0085 475 THR 60 CA 0.0019 0.0211 0.0127 476 THR 60 C 0.0048 0.0256 0.0082 477 THR 60 O 0.0055 0.0288 0.0103 478 THR 60 CB 0.0024 0.0249 0.0169 479 THR 60 OG1 -0.0004 0.0205 0.0212 480 THR 60 CG2 0.0036 0.0307 0.0214 481 THR 60 H 0.0006 0.0150 0.0082 482 THR 60 HA 0.0003 0.0192 0.0162 483 THR 60 HB 0.0039 0.0265 0.0132 484 THR 60 HG1 -0.0009 0.0175 0.0184 485 THR 60 HG21 0.0039 0.0332 0.0241 486 THR 60 HG22 0.0020 0.0290 0.0249 487 THR 60 HG23 0.0056 0.0340 0.0182 488 HIS 61 N 0.0086 0.0056 0.0005 489 HIS 61 CA 0.0081 0.0052 0.0008 490 HIS 61 C 0.0068 0.0043 0.0017 491 HIS 61 O 0.0067 0.0036 0.0024 492 HIS 61 CB 0.0076 0.0063 -0.0001 493 HIS 61 CG 0.0066 0.0061 0.0002 494 HIS 61 ND1 0.0071 0.0055 0.0007 495 HIS 61 CD2 0.0050 0.0063 0.0001 496 HIS 61 CE1 0.0059 0.0053 0.0009 497 HIS 61 NE2 0.0046 0.0058 0.0005 498 HIS 61 H 0.0085 0.0064 -0.0003 499 HIS 61 HA 0.0091 0.0048 0.0012 500 HIS 61 HB2 0.0087 0.0067 -0.0005 501 HIS 61 HB3 0.0070 0.0070 -0.0007 502 HIS 61 HD1 0.0082 0.0052 0.0009 503 HIS 61 HD2 0.0042 0.0067 -0.0003 504 HIS 61 HE1 0.0057 0.0049 0.0013 505 PHE 62 N -0.0006 0.0058 0.0059 506 PHE 62 CA -0.0001 0.0067 0.0062 507 PHE 62 C -0.0006 0.0076 0.0060 508 PHE 62 O -0.0003 0.0084 0.0062 509 PHE 62 CB 0.0001 0.0069 0.0063 510 PHE 62 CG 0.0005 0.0061 0.0065 511 PHE 62 CD1 0.0012 0.0056 0.0069 512 PHE 62 CD2 0.0001 0.0058 0.0063 513 PHE 62 CE1 0.0015 0.0048 0.0071 514 PHE 62 CE2 0.0004 0.0050 0.0065 515 PHE 62 CZ 0.0011 0.0045 0.0068 516 PHE 62 H -0.0010 0.0056 0.0057 517 PHE 62 HA 0.0005 0.0066 0.0065 518 PHE 62 HB2 -0.0004 0.0072 0.0061 519 PHE 62 HB3 0.0006 0.0074 0.0066 520 PHE 62 HD1 0.0015 0.0058 0.0071 521 PHE 62 HD2 -0.0005 0.0062 0.0060 522 PHE 62 HE1 0.0021 0.0045 0.0074 523 PHE 62 HE2 0.0001 0.0048 0.0063 524 PHE 62 HZ 0.0013 0.0039 0.0069 525 ARG 63 N -0.0131 0.0162 0.0131 526 ARG 63 CA -0.0128 0.0152 -0.0065 527 ARG 63 C -0.0274 0.0154 -0.0241 528 ARG 63 O -0.0301 0.0148 -0.0413 529 ARG 63 CB -0.0179 0.0158 -0.0017 530 ARG 63 CG -0.0008 0.0153 0.0121 531 ARG 63 CD -0.0066 0.0159 0.0168 532 ARG 63 NE -0.0097 0.0152 -0.0030 533 ARG 63 CZ -0.0115 0.0153 -0.0038 534 ARG 63 NH1 -0.0093 0.0159 0.0141 535 ARG 63 NH2 -0.0151 0.0147 -0.0225 536 ARG 63 H -0.0209 0.0173 0.0260 537 ARG 63 HA 0.0035 0.0139 -0.0125 538 ARG 63 HB2 -0.0332 0.0172 0.0067 539 ARG 63 HB3 -0.0192 0.0152 -0.0168 540 ARG 63 HG2 0.0143 0.0139 0.0035 541 ARG 63 HG3 0.0008 0.0159 0.0272 542 ARG 63 HD2 0.0063 0.0154 0.0262 543 ARG 63 HD3 -0.0214 0.0173 0.0261 544 ARG 63 HE -0.0108 0.0147 -0.0165 545 ARG 63 HH11 -0.0062 0.0164 0.0285 546 ARG 63 HH12 -0.0106 0.0160 0.0140 547 ARG 63 HH21 -0.0166 0.0141 -0.0363 548 ARG 63 HH22 -0.0167 0.0147 -0.0241 549 SER 64 N -0.0252 -0.0144 -0.0144 550 SER 64 CA -0.0272 -0.0202 -0.0102 551 SER 64 C -0.0209 -0.0083 -0.0048 552 SER 64 O -0.0166 -0.0035 0.0075 553 SER 64 CB -0.0302 -0.0311 0.0028 554 SER 64 OG -0.0351 -0.0405 -0.0002 555 SER 64 H -0.0243 -0.0149 -0.0071 556 SER 64 HA -0.0309 -0.0247 -0.0196 557 SER 64 HB2 -0.0262 -0.0260 0.0128 558 SER 64 HB3 -0.0325 -0.0368 0.0047 559 SER 64 HG -0.0391 -0.0466 -0.0077 560 LYS 65 N -0.0420 -0.0328 -0.0230 561 LYS 65 CA -0.0322 0.0013 -0.0066 562 LYS 65 C -0.0034 -0.0011 0.0229 563 LYS 65 O 0.0085 0.0172 0.0386 564 LYS 65 CB -0.0465 0.0334 -0.0156 565 LYS 65 CG -0.0490 0.0282 -0.0192 566 LYS 65 CD -0.0239 0.0238 0.0061 567 LYS 65 CE -0.0277 0.0187 0.0013 568 LYS 65 NZ -0.0034 0.0123 0.0253 569 LYS 65 H -0.0541 -0.0346 -0.0359 570 LYS 65 HA -0.0362 0.0066 -0.0097 571 LYS 65 HB2 -0.0366 0.0564 -0.0012 572 LYS 65 HB3 -0.0652 0.0398 -0.0339 573 LYS 65 HG2 -0.0606 0.0513 -0.0271 574 LYS 65 HG3 -0.0584 0.0047 -0.0332 575 LYS 65 HD2 -0.0119 0.0008 0.0144 576 LYS 65 HD3 -0.0150 0.0477 0.0197 577 LYS 65 HE2 -0.0385 0.0427 -0.0056 578 LYS 65 HE3 -0.0380 -0.0038 -0.0136 579 LYS 65 HZ1 0.0073 0.0334 0.0403 580 LYS 65 HZ2 0.0074 -0.0111 0.0323 581 LYS 65 HZ3 -0.0067 0.0096 0.0215 582 ASP 66 N 0.0000 -0.0008 0.0361 583 ASP 66 CA 0.0097 0.0003 0.0375 584 ASP 66 C 0.0137 -0.0069 0.0337 585 ASP 66 O 0.0200 -0.0063 0.0345 586 ASP 66 CB 0.0151 0.0017 0.0387 587 ASP 66 CG 0.0248 0.0044 0.0409 588 ASP 66 OD1 0.0261 0.0117 0.0452 589 ASP 66 OD2 0.0312 -0.0007 0.0385 590 ASP 66 H -0.0018 -0.0018 0.0354 591 ASP 66 HA 0.0100 0.0056 0.0404 592 ASP 66 HB2 0.0114 0.0061 0.0409 593 ASP 66 HB3 0.0155 -0.0039 0.0355 594 HIS 67 N -0.0013 -0.0117 0.0183 595 HIS 67 CA -0.0009 -0.0118 0.0200 596 HIS 67 C 0.0007 -0.0111 0.0204 597 HIS 67 O 0.0013 -0.0110 0.0213 598 HIS 67 CB -0.0014 -0.0122 0.0208 599 HIS 67 CG -0.0011 -0.0124 0.0225 600 HIS 67 ND1 -0.0012 -0.0127 0.0235 601 HIS 67 CD2 -0.0013 -0.0127 0.0234 602 HIS 67 CE1 -0.0015 -0.0131 0.0249 603 HIS 67 NE2 -0.0015 -0.0131 0.0249 604 HIS 67 H -0.0018 -0.0118 0.0177 605 HIS 67 HA -0.0014 -0.0122 0.0206 606 HIS 67 HB2 -0.0026 -0.0128 0.0206 607 HIS 67 HB3 -0.0008 -0.0119 0.0203 608 HIS 67 HD1 -0.0012 -0.0126 0.0233 609 HIS 67 HD2 -0.0010 -0.0124 0.0228 610 HIS 67 HE1 -0.0016 -0.0134 0.0260 611 LYS 68 N 0.0034 -0.0069 0.0088 612 LYS 68 CA 0.0062 -0.0047 0.0095 613 LYS 68 C 0.0104 0.0002 0.0098 614 LYS 68 O 0.0146 0.0013 0.0115 615 LYS 68 CB 0.0024 -0.0032 0.0070 616 LYS 68 CG -0.0021 -0.0081 0.0065 617 LYS 68 CD -0.0060 -0.0062 0.0039 618 LYS 68 CE -0.0087 -0.0015 0.0008 619 LYS 68 NZ -0.0127 0.0001 -0.0018 620 LYS 68 H -0.0003 -0.0063 0.0068 621 LYS 68 HA 0.0082 -0.0080 0.0117 622 LYS 68 HB2 0.0007 0.0003 0.0049 623 LYS 68 HB3 0.0044 -0.0019 0.0076 624 LYS 68 HG2 -0.0007 -0.0119 0.0086 625 LYS 68 HG3 -0.0042 -0.0094 0.0059 626 LYS 68 HD2 -0.0039 -0.0047 0.0044 627 LYS 68 HD3 -0.0090 -0.0097 0.0037 628 LYS 68 HE2 -0.0106 -0.0029 0.0004 629 LYS 68 HE3 -0.0057 0.0021 0.0010 630 LYS 68 HZ1 -0.0110 0.0015 -0.0015 631 LYS 68 HZ2 -0.0146 0.0031 -0.0039 632 LYS 68 HZ3 -0.0156 -0.0034 -0.0020 633 LYS 69 N 0.0220 -0.0128 0.0197 634 LYS 69 CA 0.0194 -0.0167 0.0090 635 LYS 69 C 0.0117 -0.0145 0.0115 636 LYS 69 O 0.0144 -0.0165 0.0074 637 LYS 69 CB 0.0121 -0.0188 0.0009 638 LYS 69 CG 0.0051 -0.0218 -0.0095 639 LYS 69 CD -0.0026 -0.0229 -0.0153 640 LYS 69 CE -0.0110 -0.0257 -0.0256 641 LYS 69 NZ -0.0184 -0.0263 -0.0301 642 LYS 69 H 0.0193 -0.0123 0.0199 643 LYS 69 HA 0.0279 -0.0197 0.0052 644 LYS 69 HB2 0.0184 -0.0212 -0.0024 645 LYS 69 HB3 0.0055 -0.0157 0.0060 646 LYS 69 HG2 -0.0007 -0.0194 -0.0060 647 LYS 69 HG3 0.0115 -0.0253 -0.0154 648 LYS 69 HD2 0.0039 -0.0252 -0.0184 649 LYS 69 HD3 -0.0081 -0.0194 -0.0088 650 LYS 69 HE2 -0.0171 -0.0236 -0.0229 651 LYS 69 HE3 -0.0054 -0.0294 -0.0325 652 LYS 69 HZ1 -0.0246 -0.0281 -0.0370 653 LYS 69 HZ2 -0.0234 -0.0227 -0.0233 654 LYS 69 HZ3 -0.0125 -0.0282 -0.0325 655 ARG 70 N 0.0165 -0.0197 0.0341 656 ARG 70 CA 0.0140 -0.0136 0.0172 657 ARG 70 C 0.0098 -0.0233 0.0090 658 ARG 70 O 0.0057 -0.0262 -0.0057 659 ARG 70 CB 0.0180 0.0047 0.0162 660 ARG 70 CG 0.0157 0.0124 -0.0013 661 ARG 70 CD 0.0132 0.0103 -0.0097 662 ARG 70 NE 0.0108 0.0168 -0.0267 663 ARG 70 CZ 0.0067 0.0110 -0.0388 664 ARG 70 NH1 0.0045 -0.0016 -0.0356 665 ARG 70 NH2 0.0047 0.0179 -0.0539 666 ARG 70 H 0.0202 -0.0125 0.0429 667 ARG 70 HA 0.0121 -0.0155 0.0112 668 ARG 70 HB2 0.0213 0.0113 0.0237 669 ARG 70 HB3 0.0195 0.0060 0.0214 670 ARG 70 HG2 0.0188 0.0253 -0.0009 671 ARG 70 HG3 0.0127 0.0064 -0.0082 672 ARG 70 HD2 0.0102 -0.0026 -0.0098 673 ARG 70 HD3 0.0163 0.0166 -0.0030 674 ARG 70 HE 0.0124 0.0262 -0.0291 675 ARG 70 HH11 0.0058 -0.0072 -0.0244 676 ARG 70 HH12 0.0013 -0.0061 -0.0445 677 ARG 70 HH21 0.0064 0.0274 -0.0565 678 ARG 70 HH22 0.0017 0.0141 -0.0633 679 LEU 71 N 0.0069 -0.0136 0.0068 680 LEU 71 CA 0.0065 -0.0136 0.0064 681 LEU 71 C 0.0058 -0.0151 0.0060 682 LEU 71 O 0.0049 -0.0152 0.0052 683 LEU 71 CB 0.0075 -0.0132 0.0073 684 LEU 71 CG 0.0083 -0.0117 0.0078 685 LEU 71 CD1 0.0093 -0.0115 0.0087 686 LEU 71 CD2 0.0076 -0.0103 0.0069 687 LEU 71 H 0.0077 -0.0136 0.0075 688 LEU 71 HA 0.0059 -0.0126 0.0057 689 LEU 71 HB2 0.0081 -0.0142 0.0080 690 LEU 71 HB3 0.0072 -0.0132 0.0070 691 LEU 71 HG 0.0087 -0.0117 0.0082 692 LEU 71 HD11 0.0089 -0.0114 0.0083 693 LEU 71 HD12 0.0098 -0.0124 0.0093 694 LEU 71 HD13 0.0098 -0.0104 0.0090 695 LEU 71 HD21 0.0070 -0.0104 0.0063 696 LEU 71 HD22 0.0072 -0.0102 0.0065 697 LEU 71 HD23 0.0082 -0.0092 0.0073 698 LYS 72 N 0.0062 -0.0350 0.0125 699 LYS 72 CA 0.0152 -0.0149 0.0144 700 LYS 72 C 0.0267 -0.0136 0.0295 701 LYS 72 O 0.0380 -0.0030 0.0393 702 LYS 72 CB 0.0080 -0.0021 -0.0019 703 LYS 72 CG 0.0165 0.0195 -0.0017 704 LYS 72 CD 0.0085 0.0311 -0.0186 705 LYS 72 CE 0.0168 0.0527 -0.0185 706 LYS 72 NZ 0.0090 0.0644 -0.0351 707 LYS 72 H -0.0028 -0.0386 0.0021 708 LYS 72 HA 0.0187 -0.0098 0.0165 709 LYS 72 HB2 -0.0002 -0.0035 -0.0124 710 LYS 72 HB3 0.0044 -0.0076 -0.0041 711 LYS 72 HG2 0.0242 0.0211 0.0080 712 LYS 72 HG3 0.0206 0.0250 0.0011 713 LYS 72 HD2 0.0006 0.0292 -0.0283 714 LYS 72 HD3 0.0044 0.0256 -0.0213 715 LYS 72 HE2 0.0243 0.0545 -0.0091 716 LYS 72 HE3 0.0212 0.0578 -0.0151 717 LYS 72 HZ1 0.0047 0.0598 -0.0386 718 LYS 72 HZ2 0.0017 0.0630 -0.0444 719 LYS 72 HZ3 0.0149 0.0791 -0.0346 720 GLN 73 N -0.0074 -0.0321 0.0086 721 GLN 73 CA -0.0162 -0.0343 0.0062 722 GLN 73 C -0.0244 -0.0248 -0.0047 723 GLN 73 O -0.0364 -0.0276 -0.0081 724 GLN 73 CB -0.0077 -0.0343 0.0101 725 GLN 73 CG 0.0003 -0.0439 0.0210 726 GLN 73 CD 0.0091 -0.0433 0.0245 727 GLN 73 OE1 0.0140 -0.0336 0.0195 728 GLN 73 NE2 0.0111 -0.0534 0.0331 729 GLN 73 H 0.0026 -0.0296 0.0113 730 GLN 73 HA -0.0232 -0.0430 0.0095 731 GLN 73 HB2 -0.0005 -0.0257 0.0070 732 GLN 73 HB3 -0.0144 -0.0356 0.0081 733 GLN 73 HG2 -0.0069 -0.0526 0.0242 734 GLN 73 HG3 0.0067 -0.0428 0.0231 735 GLN 73 HE21 0.0068 -0.0607 0.0366 736 GLN 73 HE22 0.0167 -0.0535 0.0358 737 LEU 74 N -0.0107 -0.0251 -0.0046 738 LEU 74 CA -0.0147 -0.0174 -0.0209 739 LEU 74 C -0.0254 -0.0257 -0.0273 740 LEU 74 O -0.0316 -0.0223 -0.0415 741 LEU 74 CB -0.0037 -0.0023 -0.0226 742 LEU 74 CG -0.0058 0.0081 -0.0392 743 LEU 74 CD1 -0.0104 0.0102 -0.0492 744 LEU 74 CD2 0.0061 0.0226 -0.0387 745 LEU 74 H -0.0030 -0.0220 0.0036 746 LEU 74 HA -0.0182 -0.0165 -0.0276 747 LEU 74 HB2 0.0039 0.0026 -0.0167 748 LEU 74 HB3 -0.0011 -0.0041 -0.0162 749 LEU 74 HG -0.0128 0.0036 -0.0447 750 LEU 74 HD11 -0.0116 0.0177 -0.0607 751 LEU 74 HD12 -0.0036 0.0144 -0.0438 752 LEU 74 HD13 -0.0191 -0.0000 -0.0501 753 LEU 74 HD21 0.0133 0.0272 -0.0332 754 LEU 74 HD22 0.0045 0.0298 -0.0505 755 LEU 74 HD23 0.0091 0.0211 -0.0320 756 SER 75 N 0.0030 -0.0091 0.0055 757 SER 75 CA 0.0071 0.0099 0.0066 758 SER 75 C 0.0006 -0.0047 -0.0001 759 SER 75 O 0.0056 0.0041 0.0058 760 SER 75 CB 0.0240 0.0224 0.0320 761 SER 75 OG 0.0281 0.0421 0.0330 762 SER 75 H -0.0047 -0.0065 -0.0087 763 SER 75 HA 0.0019 0.0266 -0.0076 764 SER 75 HB2 0.0278 0.0326 0.0354 765 SER 75 HB3 0.0291 0.0056 0.0461 766 SER 75 HG 0.0352 0.0581 0.0404 767 VAL 76 N -0.0004 -0.0099 0.0007 768 VAL 76 CA -0.0016 -0.0122 0.0003 769 VAL 76 C -0.0033 -0.0118 -0.0002 770 VAL 76 O -0.0030 -0.0130 -0.0001 771 VAL 76 CB -0.0030 -0.0131 -0.0001 772 VAL 76 CG1 -0.0043 -0.0154 -0.0005 773 VAL 76 CG2 -0.0014 -0.0135 0.0004 774 VAL 76 H -0.0007 -0.0091 0.0006 775 VAL 76 HA -0.0004 -0.0135 0.0008 776 VAL 76 HB -0.0042 -0.0117 -0.0005 777 VAL 76 HG11 -0.0052 -0.0160 -0.0008 778 VAL 76 HG12 -0.0031 -0.0168 -0.0001 779 VAL 76 HG13 -0.0054 -0.0151 -0.0009 780 VAL 76 HG21 -0.0024 -0.0141 0.0001 781 VAL 76 HG22 -0.0006 -0.0118 0.0007 782 VAL 76 HG23 -0.0002 -0.0148 0.0008 783 GLU 77 N 0.0010 0.0039 -0.0053 784 GLU 77 CA 0.0012 0.0060 -0.0072 785 GLU 77 C 0.0012 0.0062 -0.0073 786 GLU 77 O 0.0019 0.0045 -0.0086 787 GLU 77 CB 0.0020 0.0057 -0.0099 788 GLU 77 CG 0.0028 0.0029 -0.0110 789 GLU 77 CD 0.0036 0.0027 -0.0138 790 GLU 77 OE1 0.0037 0.0026 -0.0140 791 GLU 77 OE2 0.0042 0.0027 -0.0157 792 GLU 77 H 0.0013 0.0023 -0.0053 793 GLU 77 HA 0.0007 0.0079 -0.0064 794 GLU 77 HB2 0.0022 0.0071 -0.0112 795 GLU 77 HB3 0.0019 0.0061 -0.0098 796 GLU 77 HG2 0.0027 0.0014 -0.0098 797 GLU 77 HG3 0.0029 0.0024 -0.0111 798 PRO 78 N -0.0054 0.0380 -0.0172 799 PRO 78 CA -0.0080 0.0230 -0.0046 800 PRO 78 C 0.0102 0.0327 -0.0248 801 PRO 78 O 0.0054 0.0606 -0.0411 802 PRO 78 CB -0.0425 0.0359 0.0117 803 PRO 78 CG -0.0576 0.0492 0.0134 804 PRO 78 CD -0.0349 0.0601 -0.0110 805 PRO 78 HA 0.0001 -0.0020 0.0072 806 PRO 78 HB2 -0.0468 0.0536 0.0023 807 PRO 78 HB3 -0.0500 0.0174 0.0304 808 PRO 78 HG2 -0.0785 0.0685 0.0151 809 PRO 78 HG3 -0.0626 0.0315 0.0297 810 PRO 78 HD2 -0.0372 0.0835 -0.0259 811 PRO 78 HD3 -0.0376 0.0584 -0.0078 812 TYR 79 N 0.0478 0.0054 -0.0207 813 TYR 79 CA 0.0406 0.0041 -0.0154 814 TYR 79 C 0.0492 0.0050 -0.0275 815 TYR 79 O 0.0429 0.0017 -0.0427 816 TYR 79 CB 0.0199 -0.0013 -0.0150 817 TYR 79 CG 0.0113 -0.0019 -0.0009 818 TYR 79 CD1 0.0071 -0.0036 -0.0054 819 TYR 79 CD2 0.0076 -0.0009 0.0170 820 TYR 79 CE1 -0.0005 -0.0041 0.0074 821 TYR 79 CE2 -0.0000 -0.0014 0.0300 822 TYR 79 CZ -0.0040 -0.0030 0.0251 823 TYR 79 OH -0.0116 -0.0035 0.0382 824 TYR 79 H 0.0557 0.0085 -0.0121 825 TYR 79 HA 0.0454 0.0070 -0.0017 826 TYR 79 HB2 0.0150 -0.0041 -0.0285 827 TYR 79 HB3 0.0158 -0.0020 -0.0117 828 TYR 79 HD1 0.0099 -0.0044 -0.0194 829 TYR 79 HD2 0.0108 0.0004 0.0207 830 TYR 79 HE1 -0.0037 -0.0054 0.0035 831 TYR 79 HE2 -0.0028 -0.0006 0.0439 832 TYR 79 HH -0.0045 -0.0004 0.0491 833 SER 80 N 0.0349 -0.0012 -0.0129 834 SER 80 CA 0.0301 -0.0029 -0.0092 835 SER 80 C 0.0272 -0.0025 -0.0097 836 SER 80 O 0.0298 -0.0013 -0.0122 837 SER 80 CB 0.0256 -0.0021 -0.0104 838 SER 80 OG 0.0209 -0.0039 -0.0067 839 SER 80 H 0.0339 0.0009 -0.0165 840 SER 80 HA 0.0317 -0.0052 -0.0053 841 SER 80 HB2 0.0279 -0.0022 -0.0103 842 SER 80 HB3 0.0239 0.0001 -0.0142 843 SER 80 HG 0.0226 -0.0056 -0.0037 844 GLN 81 N -0.0002 -0.0059 -0.0051 845 GLN 81 CA -0.0060 -0.0054 0.0018 846 GLN 81 C -0.0082 0.0019 0.0015 847 GLN 81 O -0.0063 0.0081 -0.0032 848 GLN 81 CB -0.0100 -0.0042 0.0060 849 GLN 81 CG -0.0159 -0.0050 0.0135 850 GLN 81 CD -0.0201 -0.0032 0.0178 851 GLN 81 OE1 -0.0199 0.0019 0.0155 852 GLN 81 NE2 -0.0240 -0.0073 0.0241 853 GLN 81 H 0.0008 -0.0043 -0.0069 854 GLN 81 HA -0.0060 -0.0112 0.0040 855 GLN 81 HB2 -0.0080 -0.0089 0.0055 856 GLN 81 HB3 -0.0105 0.0019 0.0042 857 GLN 81 HG2 -0.0177 -0.0007 0.0139 858 GLN 81 HG3 -0.0155 -0.0114 0.0154 859 GLN 81 HE21 -0.0239 -0.0113 0.0255 860 GLN 81 HE22 -0.0269 -0.0061 0.0270 861 GLU 82 N -0.0063 -0.0146 0.0022 862 GLU 82 CA -0.0105 -0.0064 -0.0060 863 GLU 82 C 0.0024 -0.0089 -0.0192 864 GLU 82 O 0.0016 -0.0035 -0.0274 865 GLU 82 CB -0.0234 0.0069 -0.0114 866 GLU 82 CG -0.0289 0.0161 -0.0195 867 GLU 82 CD -0.0418 0.0286 -0.0234 868 GLU 82 OE1 -0.0403 0.0341 -0.0348 869 GLU 82 OE2 -0.0537 0.0332 -0.0152 870 GLU 82 H -0.0046 -0.0217 0.0121 871 GLU 82 HA -0.0133 -0.0091 0.0024 872 GLU 82 HB2 -0.0320 0.0078 -0.0013 873 GLU 82 HB3 -0.0205 0.0092 -0.0191 874 GLU 82 HG2 -0.0208 0.0158 -0.0301 875 GLU 82 HG3 -0.0316 0.0138 -0.0119 876 GLU 83 N 0.0061 -0.0020 0.0030 877 GLU 83 CA -0.0015 0.0041 0.0122 878 GLU 83 C -0.0202 -0.0049 0.0018 879 GLU 83 O -0.0390 -0.0011 0.0089 880 GLU 83 CB 0.0182 0.0074 0.0147 881 GLU 83 CG 0.0121 0.0139 0.0241 882 GLU 83 CD 0.0325 0.0182 0.0280 883 GLU 83 OE1 0.0422 0.0099 0.0156 884 GLU 83 OE2 0.0391 0.0303 0.0438 885 GLU 83 H 0.0105 -0.0111 -0.0099 886 GLU 83 HA -0.0084 0.0132 0.0253 887 GLU 83 HB2 0.0305 0.0141 0.0225 888 GLU 83 HB3 0.0258 -0.0016 0.0015 889 GLU 83 HG2 0.0015 0.0069 0.0156 890 GLU 83 HG3 0.0032 0.0225 0.0368 891 ALA 84 N -0.0147 -0.0107 0.0183 892 ALA 84 CA -0.0443 -0.0222 -0.0019 893 ALA 84 C -0.0464 -0.0260 -0.0194 894 ALA 84 O -0.0630 -0.0351 -0.0444 895 ALA 84 CB -0.0437 -0.0267 -0.0268 896 ALA 84 H 0.0067 -0.0073 0.0068 897 ALA 84 HA -0.0655 -0.0246 0.0153 898 ALA 84 HB1 -0.0653 -0.0351 -0.0416 899 ALA 84 HB2 -0.0216 -0.0240 -0.0431 900 ALA 84 HB3 -0.0445 -0.0244 -0.0131 901 GLU 85 N 0.0023 -0.0185 0.0025 902 GLU 85 CA 0.0019 -0.0168 0.0093 903 GLU 85 C -0.0011 -0.0149 0.0077 904 GLU 85 O -0.0064 -0.0113 0.0064 905 GLU 85 CB -0.0017 -0.0133 0.0136 906 GLU 85 CG -0.0014 -0.0119 0.0214 907 GLU 85 CD -0.0048 -0.0091 0.0231 908 GLU 85 OE1 -0.0102 -0.0050 0.0238 909 GLU 85 OE2 -0.0022 -0.0108 0.0237 910 GLU 85 H 0.0003 -0.0178 -0.0014 911 GLU 85 HA 0.0063 -0.0195 0.0120 912 GLU 85 HB2 -0.0001 -0.0145 0.0131 913 GLU 85 HB3 -0.0062 -0.0104 0.0113 914 GLU 85 HG2 0.0032 -0.0151 0.0224 915 GLU 85 HG3 -0.0025 -0.0105 0.0243 916 ARG 86 N 0.0272 -0.0186 -0.0242 917 ARG 86 CA 0.0363 -0.0264 -0.0190 918 ARG 86 C 0.0426 -0.0254 -0.0266 919 ARG 86 O 0.0371 -0.0189 -0.0330 920 ARG 86 CB 0.0306 -0.0312 -0.0052 921 ARG 86 CG 0.0173 -0.0257 -0.0025 922 ARG 86 CD 0.0166 -0.0218 -0.0088 923 ARG 86 NE 0.0037 -0.0161 -0.0067 924 ARG 86 CZ -0.0004 -0.0105 -0.0128 925 ARG 86 NH1 0.0076 -0.0100 -0.0212 926 ARG 86 NH2 -0.0125 -0.0054 -0.0104 927 ARG 86 H 0.0203 -0.0138 -0.0263 928 ARG 86 HA 0.0436 -0.0303 -0.0189 929 ARG 86 HB2 0.0367 -0.0360 -0.0024 930 ARG 86 HB3 0.0302 -0.0341 0.0004 931 ARG 86 HG2 0.0142 -0.0296 0.0073 932 ARG 86 HG3 0.0111 -0.0207 -0.0054 933 ARG 86 HD2 0.0205 -0.0183 -0.0186 934 ARG 86 HD3 0.0221 -0.0268 -0.0050 935 ARG 86 HE -0.0024 -0.0165 -0.0004 936 ARG 86 HH11 0.0168 -0.0136 -0.0233 937 ARG 86 HH12 0.0047 -0.0058 -0.0258 938 ARG 86 HH21 -0.0187 -0.0056 -0.0041 939 ARG 86 HH22 -0.0160 -0.0011 -0.0148 940 ALA 87 N 0.0306 -0.0269 -0.0143 941 ALA 87 CA 0.0072 -0.0268 -0.0121 942 ALA 87 C 0.0009 -0.0050 -0.0190 943 ALA 87 O -0.0173 0.0036 -0.0203 944 ALA 87 CB -0.0064 -0.0318 -0.0091 945 ALA 87 H 0.0346 -0.0199 -0.0170 946 ALA 87 HA 0.0045 -0.0387 -0.0078 947 ALA 87 HB1 -0.0034 -0.0202 -0.0134 948 ALA 87 HB2 -0.0017 -0.0473 -0.0042 949 ALA 87 HB3 -0.0238 -0.0313 -0.0077 950 ALA 88 N -0.0097 -0.0060 -0.0568 951 ALA 88 CA -0.0228 0.0179 -0.0238 952 ALA 88 C -0.0674 0.0468 -0.0257 953 ALA 88 O -0.0780 0.0650 -0.0015 954 ALA 88 CB 0.0039 0.0214 0.0228 955 ALA 88 H -0.0167 -0.0022 -0.0588 956 ALA 88 HA -0.0199 0.0122 -0.0320 957 ALA 88 HB1 0.0009 0.0275 0.0317 958 ALA 88 HB2 0.0356 0.0004 0.0232 959 ALA 88 HB3 -0.0065 0.0393 0.0467 960 GLY 89 N 0.0488 -0.0087 0.0142 961 GLY 89 CA 0.0348 -0.0159 0.0173 962 GLY 89 C 0.0105 -0.0172 0.0263 963 GLY 89 O 0.0028 -0.0001 0.0348 964 GLY 89 H 0.0430 -0.0097 0.0161 965 GLY 89 HA2 0.0381 -0.0037 0.0199 966 GLY 89 HA3 0.0384 -0.0326 0.0106 967 MET 90 N -0.0033 0.0098 -0.0093 968 MET 90 CA -0.0001 0.0096 -0.0039 969 MET 90 C 0.0038 0.0053 -0.0065 970 MET 90 O 0.0021 0.0055 -0.0092 971 MET 90 CB -0.0041 0.0145 -0.0004 972 MET 90 CG -0.0012 0.0151 0.0063 973 MET 90 SD 0.0037 0.0109 0.0057 974 MET 90 CE 0.0055 0.0131 0.0141 975 MET 90 H -0.0026 0.0095 -0.0089 976 MET 90 HA 0.0027 0.0090 -0.0003 977 MET 90 HB2 -0.0071 0.0174 0.0007 978 MET 90 HB3 -0.0064 0.0148 -0.0039 979 MET 90 HG2 0.0011 0.0148 0.0098 980 MET 90 HG3 -0.0046 0.0187 0.0083 981 MET 90 HE1 0.0075 0.0131 0.0175 982 MET 90 HE2 0.0085 0.0109 0.0145 983 MET 90 HE3 0.0017 0.0168 0.0154 984 GLY 91 N 0.0088 0.0057 0.0144 985 GLY 91 CA 0.0119 0.0025 0.0128 986 GLY 91 C 0.0190 0.0117 0.0050 987 GLY 91 O 0.0160 0.0199 0.0052 988 GLY 91 H 0.0051 0.0144 0.0150 989 GLY 91 HA2 0.0161 -0.0074 0.0121 990 GLY 91 HA3 0.0049 0.0034 0.0179 991 SER 92 N -0.0008 0.0081 0.0051 992 SER 92 CA 0.0024 0.0137 -0.0019 993 SER 92 C 0.0033 0.0114 -0.0142 994 SER 92 O 0.0005 0.0023 -0.0184 995 SER 92 CB 0.0009 0.0108 0.0007 996 SER 92 OG 0.0000 0.0131 0.0122 997 SER 92 H -0.0037 0.0004 0.0046 998 SER 92 HA 0.0053 0.0221 0.0001 999 SER 92 HB2 -0.0020 0.0025 -0.0013 1000 SER 92 HB3 0.0034 0.0154 -0.0043 1001 SER 92 HG 0.0000 0.0145 0.0157 1002 TYR 93 N -0.0051 0.0077 -0.0055 1003 TYR 93 CA -0.0015 0.0053 -0.0040 1004 TYR 93 C 0.0019 0.0067 -0.0022 1005 TYR 93 O 0.0010 0.0085 -0.0024 1006 TYR 93 CB -0.0021 0.0002 -0.0048 1007 TYR 93 CG 0.0013 -0.0029 -0.0035 1008 TYR 93 CD1 0.0012 -0.0041 -0.0037 1009 TYR 93 CD2 0.0045 -0.0045 -0.0021 1010 TYR 93 CE1 0.0042 -0.0068 -0.0025 1011 TYR 93 CE2 0.0075 -0.0073 -0.0009 1012 TYR 93 CZ 0.0074 -0.0084 -0.0011 1013 TYR 93 OH 0.0104 -0.0111 0.0001 1014 TYR 93 H -0.0062 0.0070 -0.0061 1015 TYR 93 HA -0.0008 0.0061 -0.0036 1016 TYR 93 HB2 -0.0049 -0.0006 -0.0062 1017 TYR 93 HB3 -0.0024 -0.0007 -0.0050 1018 TYR 93 HD1 -0.0013 -0.0028 -0.0048 1019 TYR 93 HD2 0.0046 -0.0036 -0.0019 1020 TYR 93 HE1 0.0041 -0.0077 -0.0026 1021 TYR 93 HE2 0.0100 -0.0085 0.0002 1022 TYR 93 HH 0.0130 -0.0099 0.0015 1023 VAL 94 N -0.0195 -0.0083 -0.0000 1024 VAL 94 CA -0.0144 -0.0050 -0.0001 1025 VAL 94 C -0.0136 -0.0047 -0.0001 1026 VAL 94 O -0.0123 -0.0090 -0.0012 1027 VAL 94 CB -0.0089 -0.0069 -0.0012 1028 VAL 94 CG1 -0.0077 -0.0130 -0.0027 1029 VAL 94 CG2 -0.0038 -0.0031 -0.0012 1030 VAL 94 H -0.0190 -0.0117 -0.0008 1031 VAL 94 HA -0.0153 -0.0008 0.0010 1032 VAL 94 HB -0.0097 -0.0064 -0.0010 1033 VAL 94 HG11 -0.0039 -0.0141 -0.0035 1034 VAL 94 HG12 -0.0071 -0.0137 -0.0029 1035 VAL 94 HG13 -0.0112 -0.0156 -0.0028 1036 VAL 94 HG21 -0.0031 -0.0033 -0.0013 1037 VAL 94 HG22 -0.0001 -0.0045 -0.0020 1038 VAL 94 HG23 -0.0046 0.0012 -0.0001