1 ASP 28 N 0.0137 -0.0164 0.0037 2 ASP 28 CA 0.0076 -0.0199 -0.0008 3 ASP 28 C 0.0095 -0.0153 -0.0051 4 ASP 28 O 0.0131 -0.0090 -0.0091 5 ASP 28 CB 0.0022 -0.0215 -0.0072 6 ASP 28 CG -0.0043 -0.0252 -0.0121 7 ASP 28 OD1 -0.0080 -0.0313 -0.0084 8 ASP 28 OD2 -0.0061 -0.0222 -0.0197 9 ASP 28 H 0.0126 -0.0194 0.0066 10 ASP 28 HA 0.0056 -0.0248 0.0037 11 ASP 28 HB2 0.0009 -0.0248 -0.0041 12 ASP 28 HB3 0.0043 -0.0166 -0.0116 13 PRO 29 N -0.0142 -0.0306 0.0321 14 PRO 29 CA 0.0035 -0.0267 0.0314 15 PRO 29 C 0.0332 -0.0571 0.0450 16 PRO 29 O 0.0589 -0.0650 0.0494 17 PRO 29 CB 0.0253 0.0110 0.0174 18 PRO 29 CG 0.0083 0.0310 0.0086 19 PRO 29 CD -0.0049 0.0019 0.0196 20 PRO 29 HA -0.0192 -0.0267 0.0304 21 PRO 29 HB2 0.0569 0.0062 0.0208 22 PRO 29 HB3 0.0202 0.0256 0.0113 23 PRO 29 HG2 0.0309 0.0490 0.0025 24 PRO 29 HG3 -0.0169 0.0472 0.0009 25 PRO 29 HD2 0.0189 -0.0040 0.0231 26 PRO 29 HD3 -0.0312 0.0111 0.0147 27 ASN 30 N 0.0004 0.0065 -0.0396 28 ASN 30 CA 0.0033 -0.0001 -0.0214 29 ASN 30 C 0.0008 0.0150 -0.0306 30 ASN 30 O 0.0002 0.0375 -0.0192 31 ASN 30 CB 0.0068 0.0060 0.0098 32 ASN 30 CG 0.0101 0.0005 0.0310 33 ASN 30 OD1 0.0136 -0.0231 0.0415 34 ASN 30 ND2 0.0090 0.0219 0.0381 35 ASN 30 H 0.0008 -0.0095 -0.0473 36 ASN 30 HA 0.0051 -0.0227 -0.0238 37 ASN 30 HB2 0.0088 -0.0074 0.0150 38 ASN 30 HB3 0.0048 0.0280 0.0100 39 ASN 30 HD21 0.0062 0.0406 0.0294 40 ASN 30 HD22 0.0111 0.0187 0.0515 41 ALA 31 N -0.0021 0.0159 -0.0371 42 ALA 31 CA -0.0022 0.0141 -0.0362 43 ALA 31 C -0.0069 0.0083 -0.0377 44 ALA 31 O -0.0111 0.0089 -0.0423 45 ALA 31 CB -0.0021 0.0197 -0.0391 46 ALA 31 H -0.0053 0.0140 -0.0392 47 ALA 31 HA 0.0012 0.0129 -0.0321 48 ALA 31 HB1 -0.0020 0.0183 -0.0382 49 ALA 31 HB2 -0.0055 0.0209 -0.0433 50 ALA 31 HB3 0.0013 0.0238 -0.0380 51 GLU 32 N -0.0141 -0.0012 -0.0089 52 GLU 32 CA -0.0207 0.0085 0.0080 53 GLU 32 C -0.0133 -0.0016 0.0223 54 GLU 32 O -0.0158 0.0024 0.0394 55 GLU 32 CB -0.0310 0.0228 0.0019 56 GLU 32 CG -0.0284 0.0190 -0.0079 57 GLU 32 CD -0.0390 0.0338 -0.0128 58 GLU 32 OE1 -0.0429 0.0396 -0.0002 59 GLU 32 OE2 -0.0437 0.0400 -0.0290 60 GLU 32 H -0.0152 0.0001 -0.0203 61 GLU 32 HA -0.0233 0.0123 0.0140 62 GLU 32 HB2 -0.0357 0.0297 0.0148 63 GLU 32 HB3 -0.0359 0.0295 -0.0081 64 GLU 32 HG2 -0.0240 0.0124 -0.0212 65 GLU 32 HG3 -0.0232 0.0118 0.0019 66 PHE 33 N -0.0196 -0.0182 0.0073 67 PHE 33 CA -0.0146 -0.0245 0.0134 68 PHE 33 C -0.0117 -0.0213 0.0101 69 PHE 33 O -0.0123 -0.0139 0.0029 70 PHE 33 CB -0.0037 -0.0277 0.0162 71 PHE 33 CG 0.0045 -0.0211 0.0096 72 PHE 33 CD1 0.0121 -0.0183 0.0066 73 PHE 33 CD2 0.0045 -0.0177 0.0062 74 PHE 33 CE1 0.0195 -0.0123 0.0005 75 PHE 33 CE2 0.0118 -0.0116 0.0001 76 PHE 33 CZ 0.0193 -0.0089 -0.0028 77 PHE 33 H -0.0150 -0.0140 0.0030 78 PHE 33 HA -0.0204 -0.0294 0.0183 79 PHE 33 HB2 0.0006 -0.0318 0.0202 80 PHE 33 HB3 -0.0059 -0.0307 0.0193 81 PHE 33 HD1 0.0123 -0.0209 0.0092 82 PHE 33 HD2 -0.0014 -0.0198 0.0084 83 PHE 33 HE1 0.0254 -0.0102 -0.0017 84 PHE 33 HE2 0.0117 -0.0090 -0.0025 85 PHE 33 HZ 0.0251 -0.0041 -0.0076 86 ASP 34 N -0.0047 -0.0308 0.0169 87 ASP 34 CA -0.0010 -0.0266 0.0136 88 ASP 34 C 0.0026 -0.0230 0.0174 89 ASP 34 O 0.0029 -0.0230 0.0228 90 ASP 34 CB -0.0004 -0.0258 0.0121 91 ASP 34 CG 0.0031 -0.0218 0.0081 92 ASP 34 OD1 0.0067 -0.0182 0.0102 93 ASP 34 OD2 0.0024 -0.0223 0.0027 94 ASP 34 H -0.0052 -0.0315 0.0201 95 ASP 34 HA -0.0014 -0.0267 0.0095 96 ASP 34 HB2 -0.0031 -0.0286 0.0100 97 ASP 34 HB3 0.0003 -0.0254 0.0162 98 PRO 35 N 0.0128 -0.0008 -0.0023 99 PRO 35 CA 0.0266 0.0069 0.0053 100 PRO 35 C 0.0314 0.0110 0.0065 101 PRO 35 O 0.0430 0.0178 0.0124 102 PRO 35 CB 0.0302 0.0195 -0.0024 103 PRO 35 CG 0.0193 0.0222 -0.0163 104 PRO 35 CD 0.0075 0.0083 -0.0160 105 PRO 35 HA 0.0311 0.0013 0.0149 106 PRO 35 HB2 0.0391 0.0279 -0.0007 107 PRO 35 HB3 0.0312 0.0174 0.0005 108 PRO 35 HG2 0.0206 0.0281 -0.0202 109 PRO 35 HG3 0.0185 0.0277 -0.0220 110 PRO 35 HD2 0.0012 0.0084 -0.0227 111 PRO 35 HD3 0.0027 0.0052 -0.0183 112 ASP 36 N -0.0013 -0.0307 0.0191 113 ASP 36 CA 0.0050 -0.0124 0.0157 114 ASP 36 C 0.0041 0.0033 0.0169 115 ASP 36 O 0.0014 0.0205 0.0192 116 ASP 36 CB 0.0227 -0.0143 0.0042 117 ASP 36 CG 0.0301 0.0045 0.0001 118 ASP 36 OD1 0.0258 0.0105 0.0031 119 ASP 36 OD2 0.0406 0.0136 -0.0064 120 ASP 36 H 0.0056 -0.0382 0.0143 121 ASP 36 HA -0.0025 -0.0086 0.0207 122 ASP 36 HB2 0.0228 -0.0251 0.0037 123 ASP 36 HB3 0.0300 -0.0194 -0.0007 124 LEU 37 N 0.0011 0.0021 0.0151 125 LEU 37 CA 0.0012 0.0039 0.0148 126 LEU 37 C -0.0025 0.0036 0.0207 127 LEU 37 O -0.0044 -0.0014 0.0241 128 LEU 37 CB 0.0041 -0.0004 0.0103 129 LEU 37 CG 0.0081 0.0011 0.0037 130 LEU 37 CD1 0.0089 0.0085 0.0021 131 LEU 37 CD2 0.0093 -0.0007 0.0019 132 LEU 37 H 0.0014 -0.0028 0.0148 133 LEU 37 HA 0.0020 0.0092 0.0132 134 LEU 37 HB2 0.0037 -0.0057 0.0112 135 LEU 37 HB3 0.0035 0.0002 0.0112 136 LEU 37 HG 0.0097 -0.0021 0.0012 137 LEU 37 HD11 0.0117 0.0093 -0.0025 138 LEU 37 HD12 0.0073 0.0119 0.0045 139 LEU 37 HD13 0.0082 0.0095 0.0031 140 LEU 37 HD21 0.0121 0.0005 -0.0027 141 LEU 37 HD22 0.0089 -0.0060 0.0027 142 LEU 37 HD23 0.0077 0.0024 0.0044 143 PRO 38 N -0.0090 0.0092 0.0132 144 PRO 38 CA -0.0110 0.0100 0.0139 145 PRO 38 C -0.0086 0.0084 0.0136 146 PRO 38 O -0.0056 0.0086 0.0115 147 PRO 38 CB -0.0122 0.0138 0.0114 148 PRO 38 CG -0.0121 0.0149 0.0104 149 PRO 38 CD -0.0090 0.0122 0.0107 150 PRO 38 HA -0.0133 0.0093 0.0161 151 PRO 38 HB2 -0.0104 0.0144 0.0097 152 PRO 38 HB3 -0.0149 0.0148 0.0124 153 PRO 38 HG2 -0.0115 0.0171 0.0081 154 PRO 38 HG3 -0.0146 0.0152 0.0118 155 PRO 38 HD2 -0.0065 0.0125 0.0087 156 PRO 38 HD3 -0.0096 0.0120 0.0112 157 GLY 39 N -0.0087 0.0112 0.0107 158 GLY 39 CA -0.0076 0.0094 0.0109 159 GLY 39 C -0.0066 0.0080 0.0107 160 GLY 39 O -0.0054 0.0066 0.0101 161 GLY 39 H -0.0095 0.0117 0.0120 162 GLY 39 HA2 -0.0078 0.0091 0.0123 163 GLY 39 HA3 -0.0072 0.0094 0.0096 164 GLY 40 N -0.0022 -0.0090 0.0243 165 GLY 40 CA -0.0021 -0.0111 0.0217 166 GLY 40 C -0.0011 -0.0113 0.0196 167 GLY 40 O -0.0011 -0.0131 0.0175 168 GLY 40 H -0.0014 -0.0074 0.0246 169 GLY 40 HA2 -0.0014 -0.0107 0.0208 170 GLY 40 HA3 -0.0035 -0.0131 0.0223 171 GLY 41 N -0.0035 0.0010 0.0144 172 GLY 41 CA -0.0018 0.0012 0.0120 173 GLY 41 C -0.0013 -0.0006 0.0118 174 GLY 41 O 0.0002 -0.0010 0.0098 175 GLY 41 H -0.0045 0.0026 0.0154 176 GLY 41 HA2 -0.0017 0.0035 0.0115 177 GLY 41 HA3 -0.0008 0.0005 0.0109 178 LEU 42 N -0.0081 -0.0004 0.0158 179 LEU 42 CA -0.0052 -0.0006 0.0151 180 LEU 42 C -0.0055 0.0033 0.0120 181 LEU 42 O -0.0027 0.0038 0.0109 182 LEU 42 CB -0.0069 -0.0033 0.0179 183 LEU 42 CG -0.0068 -0.0075 0.0213 184 LEU 42 CD1 -0.0088 -0.0098 0.0238 185 LEU 42 CD2 -0.0018 -0.0093 0.0215 186 LEU 42 H -0.0115 -0.0006 0.0169 187 LEU 42 HA -0.0015 -0.0017 0.0151 188 LEU 42 HB2 -0.0106 -0.0021 0.0179 189 LEU 42 HB3 -0.0047 -0.0034 0.0174 190 LEU 42 HG -0.0092 -0.0074 0.0219 191 LEU 42 HD11 -0.0086 -0.0127 0.0262 192 LEU 42 HD12 -0.0066 -0.0099 0.0233 193 LEU 42 HD13 -0.0124 -0.0086 0.0238 194 LEU 42 HD21 0.0006 -0.0093 0.0209 195 LEU 42 HD22 -0.0019 -0.0122 0.0239 196 LEU 42 HD23 -0.0006 -0.0077 0.0198 197 HIS 43 N -0.0075 0.0060 -0.0000 198 HIS 43 CA -0.0076 0.0063 -0.0004 199 HIS 43 C -0.0073 0.0045 0.0015 200 HIS 43 O -0.0071 0.0021 0.0011 201 HIS 43 CB -0.0076 0.0056 -0.0033 202 HIS 43 CG -0.0078 0.0071 -0.0055 203 HIS 43 ND1 -0.0081 0.0096 -0.0064 204 HIS 43 CD2 -0.0078 0.0063 -0.0071 205 HIS 43 CE1 -0.0082 0.0104 -0.0084 206 HIS 43 NE2 -0.0080 0.0084 -0.0088 207 HIS 43 H -0.0073 0.0042 -0.0001 208 HIS 43 HA -0.0078 0.0084 0.0000 209 HIS 43 HB2 -0.0074 0.0035 -0.0037 210 HIS 43 HB3 -0.0076 0.0061 -0.0035 211 HIS 43 HD1 -0.0082 0.0108 -0.0056 212 HIS 43 HD2 -0.0076 0.0044 -0.0070 213 HIS 43 HE1 -0.0085 0.0123 -0.0095 214 HIS 43 HE2 -0.0081 0.0086 -0.0099 215 ARG 44 N -0.0095 0.0008 0.0016 216 ARG 44 CA -0.0092 0.0034 -0.0011 217 ARG 44 C -0.0089 0.0028 -0.0022 218 ARG 44 O -0.0085 -0.0003 -0.0021 219 ARG 44 CB -0.0083 0.0027 -0.0044 220 ARG 44 CG -0.0084 0.0022 -0.0039 221 ARG 44 CD -0.0075 0.0011 -0.0073 222 ARG 44 NE -0.0074 0.0004 -0.0070 223 ARG 44 CZ -0.0067 -0.0002 -0.0098 224 ARG 44 NH1 -0.0060 -0.0001 -0.0130 225 ARG 44 NH2 -0.0068 -0.0008 -0.0093 226 ARG 44 H -0.0092 -0.0017 0.0013 227 ARG 44 HA -0.0097 0.0061 -0.0004 228 ARG 44 HB2 -0.0078 0.0004 -0.0056 229 ARG 44 HB3 -0.0082 0.0050 -0.0062 230 ARG 44 HG2 -0.0089 0.0046 -0.0030 231 ARG 44 HG3 -0.0086 0.0000 -0.0019 232 ARG 44 HD2 -0.0069 -0.0012 -0.0083 233 ARG 44 HD3 -0.0073 0.0034 -0.0092 234 ARG 44 HE -0.0080 0.0003 -0.0046 235 ARG 44 HH11 -0.0059 0.0003 -0.0135 236 ARG 44 HH12 -0.0054 -0.0006 -0.0152 237 ARG 44 HH21 -0.0073 -0.0009 -0.0069 238 ARG 44 HH22 -0.0062 -0.0012 -0.0114 239 CYS 45 N -0.0089 0.0022 0.0003 240 CYS 45 CA -0.0101 0.0012 0.0027 241 CYS 45 C -0.0113 0.0012 0.0039 242 CYS 45 O -0.0101 0.0002 0.0041 243 CYS 45 CB -0.0084 -0.0009 0.0039 244 CYS 45 SG -0.0098 -0.0023 0.0071 245 CYS 45 H -0.0074 0.0015 -0.0002 246 CYS 45 HA -0.0114 0.0022 0.0027 247 CYS 45 HB2 -0.0078 -0.0007 0.0031 248 CYS 45 HB3 -0.0068 -0.0017 0.0036 249 LEU 46 N -0.0166 0.0020 0.0130 250 LEU 46 CA -0.0147 0.0020 0.0069 251 LEU 46 C -0.0092 0.0054 0.0107 252 LEU 46 O -0.0037 0.0076 0.0061 253 LEU 46 CB -0.0224 -0.0024 0.0043 254 LEU 46 CG -0.0280 -0.0061 -0.0002 255 LEU 46 CD1 -0.0357 -0.0103 -0.0018 256 LEU 46 CD2 -0.0242 -0.0055 -0.0089 257 LEU 46 H -0.0221 -0.0005 0.0156 258 LEU 46 HA -0.0116 0.0026 0.0010 259 LEU 46 HB2 -0.0254 -0.0031 0.0102 260 LEU 46 HB3 -0.0208 -0.0023 -0.0001 261 LEU 46 HG -0.0293 -0.0060 0.0042 262 LEU 46 HD11 -0.0387 -0.0109 0.0045 263 LEU 46 HD12 -0.0396 -0.0129 -0.0052 264 LEU 46 HD13 -0.0344 -0.0102 -0.0057 265 LEU 46 HD21 -0.0191 -0.0026 -0.0076 266 LEU 46 HD22 -0.0224 -0.0052 -0.0132 267 LEU 46 HD23 -0.0285 -0.0082 -0.0120 268 ALA 47 N -0.0141 0.0075 0.0267 269 ALA 47 CA -0.0144 0.0047 0.0284 270 ALA 47 C -0.0135 0.0014 0.0277 271 ALA 47 O -0.0139 -0.0011 0.0294 272 ALA 47 CB -0.0140 0.0047 0.0276 273 ALA 47 H -0.0136 0.0089 0.0251 274 ALA 47 HA -0.0155 0.0051 0.0308 275 ALA 47 HB1 -0.0143 0.0027 0.0290 276 ALA 47 HB2 -0.0129 0.0043 0.0252 277 ALA 47 HB3 -0.0146 0.0071 0.0281 278 CYS 48 N -0.0100 -0.0001 0.0103 279 CYS 48 CA -0.0054 -0.0010 0.0095 280 CYS 48 C -0.0045 0.0015 0.0059 281 CYS 48 O -0.0012 0.0009 0.0053 282 CYS 48 CB -0.0014 -0.0022 0.0095 283 CYS 48 SG -0.0017 -0.0056 0.0140 284 CYS 48 H -0.0108 0.0016 0.0085 285 CYS 48 HA -0.0054 -0.0029 0.0119 286 CYS 48 HB2 -0.0012 -0.0009 0.0077 287 CYS 48 HB3 0.0019 -0.0029 0.0090 288 ALA 49 N -0.0028 0.0089 0.0011 289 ALA 49 CA -0.0011 0.0098 -0.0067 290 ALA 49 C 0.0025 0.0127 -0.0051 291 ALA 49 O 0.0061 0.0151 -0.0105 292 ALA 49 CB 0.0030 0.0127 -0.0123 293 ALA 49 H -0.0074 0.0053 0.0023 294 ALA 49 HA -0.0055 0.0061 -0.0096 295 ALA 49 HB1 0.0075 0.0163 -0.0094 296 ALA 49 HB2 0.0004 0.0105 -0.0133 297 ALA 49 HB3 0.0041 0.0131 -0.0181 298 ARG 50 N 0.0027 0.0056 -0.0064 299 ARG 50 CA 0.0014 0.0047 -0.0072 300 ARG 50 C -0.0047 0.0018 -0.0093 301 ARG 50 O -0.0091 0.0022 -0.0082 302 ARG 50 CB 0.0011 0.0089 -0.0027 303 ARG 50 CG 0.0072 0.0119 -0.0005 304 ARG 50 CD 0.0065 0.0160 0.0039 305 ARG 50 NE 0.0123 0.0190 0.0062 306 ARG 50 CZ 0.0128 0.0230 0.0102 307 ARG 50 NH1 0.0080 0.0243 0.0124 308 ARG 50 NH2 0.0182 0.0255 0.0121 309 ARG 50 H 0.0003 0.0076 -0.0039 310 ARG 50 HA 0.0050 0.0029 -0.0096 311 ARG 50 HB2 -0.0026 0.0107 -0.0003 312 ARG 50 HB3 -0.0002 0.0079 -0.0035 313 ARG 50 HG2 0.0108 0.0102 -0.0029 314 ARG 50 HG3 0.0085 0.0129 0.0003 315 ARG 50 HD2 0.0028 0.0176 0.0062 316 ARG 50 HD3 0.0053 0.0149 0.0030 317 ARG 50 HE 0.0159 0.0179 0.0045 318 ARG 50 HH11 0.0039 0.0225 0.0111 319 ARG 50 HH12 0.0082 0.0272 0.0154 320 ARG 50 HH21 0.0220 0.0246 0.0105 321 ARG 50 HH22 0.0187 0.0285 0.0152 322 TYR 51 N -0.0024 0.0110 -0.0026 323 TYR 51 CA -0.0030 0.0087 -0.0006 324 TYR 51 C -0.0047 0.0098 0.0021 325 TYR 51 O -0.0055 0.0122 0.0027 326 TYR 51 CB -0.0029 0.0082 -0.0006 327 TYR 51 CG -0.0013 0.0074 -0.0032 328 TYR 51 CD1 -0.0007 0.0095 -0.0052 329 TYR 51 CD2 -0.0003 0.0045 -0.0038 330 TYR 51 CE1 0.0008 0.0088 -0.0075 331 TYR 51 CE2 0.0011 0.0038 -0.0062 332 TYR 51 CZ 0.0017 0.0059 -0.0081 333 TYR 51 OH 0.0031 0.0053 -0.0105 334 TYR 51 H -0.0027 0.0126 -0.0026 335 TYR 51 HA -0.0024 0.0067 -0.0009 336 TYR 51 HB2 -0.0036 0.0101 -0.0001 337 TYR 51 HB3 -0.0033 0.0064 0.0009 338 TYR 51 HD1 -0.0014 0.0118 -0.0047 339 TYR 51 HD2 -0.0008 0.0028 -0.0023 340 TYR 51 HE1 0.0012 0.0105 -0.0090 341 TYR 51 HE2 0.0018 0.0015 -0.0066 342 TYR 51 HH 0.0031 0.0065 -0.0109 343 PHE 52 N -0.0057 0.0034 -0.0010 344 PHE 52 CA -0.0050 0.0032 -0.0017 345 PHE 52 C -0.0042 0.0040 -0.0011 346 PHE 52 O -0.0037 0.0047 -0.0004 347 PHE 52 CB -0.0042 0.0027 -0.0028 348 PHE 52 CG -0.0050 0.0019 -0.0035 349 PHE 52 CD1 -0.0053 0.0019 -0.0032 350 PHE 52 CD2 -0.0054 0.0010 -0.0044 351 PHE 52 CE1 -0.0060 0.0012 -0.0038 352 PHE 52 CE2 -0.0061 0.0003 -0.0050 353 PHE 52 CZ -0.0064 0.0004 -0.0047 354 PHE 52 H -0.0052 0.0038 -0.0008 355 PHE 52 HA -0.0058 0.0027 -0.0019 356 PHE 52 HB2 -0.0035 0.0032 -0.0026 357 PHE 52 HB3 -0.0037 0.0025 -0.0033 358 PHE 52 HD1 -0.0050 0.0026 -0.0025 359 PHE 52 HD2 -0.0051 0.0010 -0.0046 360 PHE 52 HE1 -0.0063 0.0013 -0.0036 361 PHE 52 HE2 -0.0064 -0.0004 -0.0057 362 PHE 52 HZ -0.0070 -0.0002 -0.0052 363 ILE 53 N -0.0008 -0.0022 -0.0036 364 ILE 53 CA 0.0059 0.0089 -0.0166 365 ILE 53 C 0.0038 0.0201 -0.0214 366 ILE 53 O 0.0036 0.0337 -0.0293 367 ILE 53 CB 0.0210 0.0005 -0.0257 368 ILE 53 CG1 0.0273 -0.0110 -0.0248 369 ILE 53 CG2 0.0235 -0.0080 -0.0230 370 ILE 53 CD1 0.0422 -0.0194 -0.0337 371 ILE 53 H 0.0048 -0.0134 -0.0021 372 ILE 53 HA 0.0019 0.0158 -0.0170 373 ILE 53 HB 0.0254 0.0094 -0.0352 374 ILE 53 HG12 0.0227 -0.0198 -0.0151 375 ILE 53 HG13 0.0254 -0.0044 -0.0269 376 ILE 53 HG21 0.0186 -0.0165 -0.0132 377 ILE 53 HG22 0.0197 0.0005 -0.0245 378 ILE 53 HG23 0.0341 -0.0139 -0.0294 379 ILE 53 HD11 0.0472 -0.0109 -0.0435 380 ILE 53 HD12 0.0457 -0.0273 -0.0323 381 ILE 53 HD13 0.0443 -0.0261 -0.0317 382 ASP 54 N 0.0032 0.0061 -0.0146 383 ASP 54 CA 0.0004 0.0070 -0.0149 384 ASP 54 C -0.0043 0.0042 -0.0099 385 ASP 54 O -0.0037 0.0007 -0.0059 386 ASP 54 CB 0.0058 0.0062 -0.0157 387 ASP 54 CG 0.0034 0.0074 -0.0163 388 ASP 54 OD1 0.0024 0.0113 -0.0206 389 ASP 54 OD2 0.0025 0.0045 -0.0125 390 ASP 54 H 0.0038 0.0031 -0.0113 391 ASP 54 HA -0.0021 0.0104 -0.0181 392 ASP 54 HB2 0.0092 0.0081 -0.0191 393 ASP 54 HB3 0.0083 0.0028 -0.0125 394 SER 55 N -0.0018 -0.0013 -0.0050 395 SER 55 CA -0.0040 -0.0087 -0.0069 396 SER 55 C -0.0020 -0.0105 -0.0017 397 SER 55 O -0.0037 -0.0135 -0.0042 398 SER 55 CB -0.0050 -0.0159 -0.0063 399 SER 55 OG -0.0071 -0.0234 -0.0078 400 SER 55 H -0.0011 -0.0019 -0.0031 401 SER 55 HA -0.0064 -0.0079 -0.0127 402 SER 55 HB2 -0.0067 -0.0147 -0.0106 403 SER 55 HB3 -0.0027 -0.0165 -0.0009 404 SER 55 HG -0.0055 -0.0260 -0.0031 405 THR 56 N -0.0055 -0.0199 0.0013 406 THR 56 CA -0.0052 -0.0156 0.0128 407 THR 56 C -0.0035 0.0009 0.0054 408 THR 56 O -0.0035 0.0014 0.0050 409 THR 56 CB -0.0050 -0.0119 0.0321 410 THR 56 OG1 -0.0065 -0.0266 0.0381 411 THR 56 CG2 -0.0050 -0.0100 0.0450 412 THR 56 H -0.0055 -0.0188 0.0066 413 THR 56 HA -0.0063 -0.0269 0.0129 414 THR 56 HB -0.0038 0.0004 0.0316 415 THR 56 HG1 -0.0062 -0.0241 0.0330 416 THR 56 HG21 -0.0048 -0.0073 0.0584 417 THR 56 HG22 -0.0061 -0.0222 0.0450 418 THR 56 HG23 -0.0039 0.0010 0.0406 419 ASN 57 N 0.0001 -0.0021 0.0026 420 ASN 57 CA 0.0011 0.0035 0.0000 421 ASN 57 C -0.0009 0.0012 -0.0062 422 ASN 57 O -0.0005 0.0029 -0.0069 423 ASN 57 CB 0.0026 0.0103 -0.0019 424 ASN 57 CG 0.0052 0.0147 0.0044 425 ASN 57 OD1 0.0068 0.0193 0.0063 426 ASN 57 ND2 0.0056 0.0134 0.0079 427 ASN 57 H 0.0002 -0.0012 0.0017 428 ASN 57 HA 0.0023 0.0045 0.0044 429 ASN 57 HB2 0.0016 0.0087 -0.0042 430 ASN 57 HB3 0.0026 0.0134 -0.0060 431 ASN 57 HD21 0.0042 0.0098 0.0064 432 ASN 57 HD22 0.0072 0.0162 0.0120 433 LEU 58 N -0.0023 -0.0019 -0.0100 434 LEU 58 CA -0.0026 -0.0025 -0.0113 435 LEU 58 C -0.0014 -0.0038 -0.0132 436 LEU 58 O -0.0023 -0.0042 -0.0149 437 LEU 58 CB -0.0019 -0.0021 -0.0100 438 LEU 58 CG -0.0017 -0.0027 -0.0112 439 LEU 58 CD1 0.0003 -0.0039 -0.0120 440 LEU 58 CD2 -0.0036 -0.0028 -0.0128 441 LEU 58 H -0.0015 -0.0016 -0.0086 442 LEU 58 HA -0.0042 -0.0021 -0.0119 443 LEU 58 HB2 -0.0030 -0.0012 -0.0090 444 LEU 58 HB3 -0.0004 -0.0023 -0.0091 445 LEU 58 HG -0.0017 -0.0023 -0.0101 446 LEU 58 HD11 0.0004 -0.0043 -0.0128 447 LEU 58 HD12 0.0004 -0.0045 -0.0130 448 LEU 58 HD13 0.0016 -0.0039 -0.0107 449 LEU 58 HD21 -0.0036 -0.0033 -0.0140 450 LEU 58 HD22 -0.0035 -0.0031 -0.0136 451 LEU 58 HD23 -0.0050 -0.0019 -0.0122 452 LYS 59 N 0.0016 -0.0103 -0.0186 453 LYS 59 CA 0.0030 -0.0115 -0.0204 454 LYS 59 C -0.0004 -0.0032 -0.0201 455 LYS 59 O 0.0012 -0.0014 -0.0249 456 LYS 59 CB 0.0034 -0.0195 -0.0147 457 LYS 59 CG -0.0013 -0.0190 -0.0054 458 LYS 59 CD -0.0004 -0.0275 -0.0003 459 LYS 59 CE 0.0012 -0.0294 -0.0021 460 LYS 59 NZ -0.0026 -0.0229 0.0004 461 LYS 59 H 0.0007 -0.0137 -0.0138 462 LYS 59 HA 0.0065 -0.0126 -0.0269 463 LYS 59 HB2 0.0047 -0.0205 -0.0167 464 LYS 59 HB3 0.0060 -0.0251 -0.0156 465 LYS 59 HG2 -0.0027 -0.0178 -0.0035 466 LYS 59 HG3 -0.0039 -0.0138 -0.0044 467 LYS 59 HD2 0.0024 -0.0328 -0.0019 468 LYS 59 HD3 -0.0037 -0.0272 0.0063 469 LYS 59 HE2 0.0044 -0.0296 -0.0088 470 LYS 59 HE3 0.0020 -0.0357 0.0013 471 LYS 59 HZ1 -0.0057 -0.0229 0.0069 472 LYS 59 HZ2 -0.0013 -0.0244 -0.0009 473 LYS 59 HZ3 -0.0036 -0.0166 -0.0026 474 THR 60 N -0.0007 -0.0062 -0.0178 475 THR 60 CA -0.0029 0.0000 -0.0169 476 THR 60 C -0.0051 0.0056 -0.0266 477 THR 60 O -0.0061 0.0081 -0.0296 478 THR 60 CB -0.0050 0.0066 -0.0078 479 THR 60 OG1 -0.0028 0.0011 0.0011 480 THR 60 CG2 -0.0073 0.0132 -0.0068 481 THR 60 H -0.0009 -0.0053 -0.0133 482 THR 60 HA -0.0013 -0.0043 -0.0160 483 THR 60 HB -0.0064 0.0106 -0.0091 484 THR 60 HG1 -0.0018 -0.0018 0.0012 485 THR 60 HG21 -0.0087 0.0178 -0.0004 486 THR 60 HG22 -0.0058 0.0092 -0.0058 487 THR 60 HG23 -0.0089 0.0174 -0.0134 488 HIS 61 N -0.0020 0.0017 -0.0251 489 HIS 61 CA -0.0025 -0.0006 -0.0212 490 HIS 61 C -0.0013 0.0025 -0.0196 491 HIS 61 O -0.0019 0.0005 -0.0180 492 HIS 61 CB -0.0027 -0.0022 -0.0166 493 HIS 61 CG -0.0026 -0.0031 -0.0117 494 HIS 61 ND1 -0.0039 -0.0070 -0.0107 495 HIS 61 CD2 -0.0013 -0.0003 -0.0075 496 HIS 61 CE1 -0.0033 -0.0065 -0.0063 497 HIS 61 NE2 -0.0018 -0.0026 -0.0043 498 HIS 61 H -0.0017 0.0026 -0.0243 499 HIS 61 HA -0.0038 -0.0039 -0.0229 500 HIS 61 HB2 -0.0039 -0.0055 -0.0175 501 HIS 61 HB3 -0.0017 0.0006 -0.0160 502 HIS 61 HD1 -0.0050 -0.0098 -0.0130 503 HIS 61 HD2 -0.0001 0.0031 -0.0069 504 HIS 61 HE1 -0.0039 -0.0086 -0.0041 505 PHE 62 N 0.0006 -0.0027 -0.0216 506 PHE 62 CA 0.0021 -0.0012 -0.0219 507 PHE 62 C 0.0019 -0.0006 -0.0250 508 PHE 62 O 0.0030 0.0008 -0.0257 509 PHE 62 CB 0.0044 0.0007 -0.0206 510 PHE 62 CG 0.0047 0.0003 -0.0177 511 PHE 62 CD1 0.0041 -0.0010 -0.0155 512 PHE 62 CD2 0.0058 0.0011 -0.0172 513 PHE 62 CE1 0.0045 -0.0014 -0.0128 514 PHE 62 CE2 0.0061 0.0008 -0.0145 515 PHE 62 CZ 0.0055 -0.0005 -0.0123 516 PHE 62 H 0.0011 -0.0023 -0.0216 517 PHE 62 HA 0.0016 -0.0020 -0.0207 518 PHE 62 HB2 0.0050 0.0017 -0.0220 519 PHE 62 HB3 0.0051 0.0014 -0.0205 520 PHE 62 HD1 0.0033 -0.0017 -0.0159 521 PHE 62 HD2 0.0063 0.0021 -0.0189 522 PHE 62 HE1 0.0039 -0.0024 -0.0111 523 PHE 62 HE2 0.0069 0.0014 -0.0141 524 PHE 62 HZ 0.0058 -0.0008 -0.0102 525 ARG 63 N 0.0005 -0.0018 -0.0513 526 ARG 63 CA 0.0002 -0.0012 -0.0384 527 ARG 63 C 0.0045 0.0078 -0.0404 528 ARG 63 O 0.0051 0.0101 -0.0304 529 ARG 63 CB 0.0014 0.0025 -0.0252 530 ARG 63 CG -0.0035 -0.0078 -0.0212 531 ARG 63 CD -0.0022 -0.0037 -0.0081 532 ARG 63 NE -0.0014 -0.0011 0.0044 533 ARG 63 CZ -0.0012 0.0007 0.0179 534 ARG 63 NH1 -0.0019 -0.0007 0.0210 535 ARG 63 NH2 -0.0003 0.0036 0.0282 536 ARG 63 H 0.0026 0.0028 -0.0515 537 ARG 63 HA -0.0043 -0.0109 -0.0372 538 ARG 63 HB2 0.0057 0.0115 -0.0271 539 ARG 63 HB3 0.0017 0.0039 -0.0162 540 ARG 63 HG2 -0.0078 -0.0168 -0.0190 541 ARG 63 HG3 -0.0039 -0.0094 -0.0302 542 ARG 63 HD2 -0.0059 -0.0115 -0.0055 543 ARG 63 HD3 0.0020 0.0050 -0.0105 544 ARG 63 HE -0.0010 -0.0003 0.0024 545 ARG 63 HH11 -0.0028 -0.0031 0.0134 546 ARG 63 HH12 -0.0018 0.0006 0.0310 547 ARG 63 HH21 0.0003 0.0045 0.0261 548 ARG 63 HH22 0.0000 0.0050 0.0385 549 SER 64 N -0.0007 -0.0033 -0.0365 550 SER 64 CA -0.0014 -0.0080 -0.0319 551 SER 64 C 0.0002 -0.0006 -0.0268 552 SER 64 O 0.0012 0.0032 -0.0195 553 SER 64 CB -0.0024 -0.0148 -0.0245 554 SER 64 OG -0.0036 -0.0205 -0.0284 555 SER 64 H -0.0005 -0.0029 -0.0333 556 SER 64 HA -0.0023 -0.0118 -0.0370 557 SER 64 HB2 -0.0014 -0.0109 -0.0187 558 SER 64 HB3 -0.0031 -0.0193 -0.0219 559 SER 64 HG -0.0046 -0.0250 -0.0326 560 LYS 65 N 0.0045 -0.0040 -0.0427 561 LYS 65 CA -0.0052 0.0081 -0.0271 562 LYS 65 C 0.0013 0.0057 -0.0105 563 LYS 65 O -0.0071 0.0150 -0.0023 564 LYS 65 CB -0.0108 0.0148 -0.0192 565 LYS 65 CG 0.0014 0.0053 -0.0122 566 LYS 65 CD 0.0125 -0.0009 0.0058 567 LYS 65 CE 0.0242 -0.0101 0.0119 568 LYS 65 NZ 0.0356 -0.0168 0.0287 569 LYS 65 H 0.0082 -0.0079 -0.0455 570 LYS 65 HA -0.0151 0.0153 -0.0346 571 LYS 65 HB2 -0.0165 0.0226 -0.0065 572 LYS 65 HB3 -0.0189 0.0196 -0.0306 573 LYS 65 HG2 -0.0041 0.0111 -0.0084 574 LYS 65 HG3 0.0076 -0.0029 -0.0244 575 LYS 65 HD2 0.0182 -0.0067 0.0024 576 LYS 65 HD3 0.0062 0.0074 0.0180 577 LYS 65 HE2 0.0184 -0.0040 0.0163 578 LYS 65 HE3 0.0297 -0.0178 -0.0008 579 LYS 65 HZ1 0.0307 -0.0097 0.0412 580 LYS 65 HZ2 0.0417 -0.0231 0.0249 581 LYS 65 HZ3 0.0432 -0.0228 0.0327 582 ASP 66 N 0.0013 0.0048 -0.0119 583 ASP 66 CA -0.0030 0.0035 -0.0096 584 ASP 66 C -0.0032 0.0065 -0.0026 585 ASP 66 O -0.0043 0.0069 -0.0002 586 ASP 66 CB -0.0092 -0.0005 -0.0108 587 ASP 66 CG -0.0135 -0.0024 -0.0097 588 ASP 66 OD1 -0.0137 -0.0045 -0.0141 589 ASP 66 OD2 -0.0168 -0.0018 -0.0045 590 ASP 66 H -0.0003 0.0034 -0.0130 591 ASP 66 HA -0.0013 0.0033 -0.0122 592 ASP 66 HB2 -0.0087 -0.0024 -0.0156 593 ASP 66 HB3 -0.0110 -0.0001 -0.0077 594 HIS 67 N -0.0046 -0.0033 -0.0026 595 HIS 67 CA -0.0040 -0.0020 0.0032 596 HIS 67 C -0.0015 0.0057 0.0059 597 HIS 67 O -0.0008 0.0071 0.0127 598 HIS 67 CB -0.0046 -0.0036 -0.0003 599 HIS 67 CG -0.0043 -0.0032 0.0049 600 HIS 67 ND1 -0.0047 -0.0052 0.0126 601 HIS 67 CD2 -0.0044 -0.0032 0.0030 602 HIS 67 CE1 -0.0051 -0.0067 0.0151 603 HIS 67 NE2 -0.0050 -0.0057 0.0095 604 HIS 67 H -0.0052 -0.0047 -0.0079 605 HIS 67 HA -0.0050 -0.0055 0.0082 606 HIS 67 HB2 -0.0065 -0.0093 -0.0022 607 HIS 67 HB3 -0.0036 0.0001 -0.0051 608 HIS 67 HD1 -0.0048 -0.0056 0.0158 609 HIS 67 HD2 -0.0038 -0.0006 -0.0024 610 HIS 67 HE1 -0.0055 -0.0085 0.0209 611 LYS 68 N 0.0056 0.0028 0.0015 612 LYS 68 CA 0.0058 0.0075 0.0024 613 LYS 68 C 0.0063 0.0095 0.0056 614 LYS 68 O 0.0067 0.0125 0.0082 615 LYS 68 CB 0.0052 0.0099 -0.0020 616 LYS 68 CG 0.0047 0.0076 -0.0053 617 LYS 68 CD 0.0041 0.0102 -0.0098 618 LYS 68 CE 0.0037 0.0101 -0.0120 619 LYS 68 NZ 0.0031 0.0123 -0.0164 620 LYS 68 H 0.0051 0.0019 -0.0014 621 LYS 68 HA 0.0060 0.0075 0.0040 622 LYS 68 HB2 0.0050 0.0100 -0.0034 623 LYS 68 HB3 0.0053 0.0134 -0.0014 624 LYS 68 HG2 0.0049 0.0071 -0.0040 625 LYS 68 HG3 0.0045 0.0042 -0.0060 626 LYS 68 HD2 0.0042 0.0137 -0.0091 627 LYS 68 HD3 0.0037 0.0086 -0.0120 628 LYS 68 HE2 0.0036 0.0066 -0.0124 629 LYS 68 HE3 0.0041 0.0118 -0.0098 630 LYS 68 HZ1 0.0032 0.0157 -0.0161 631 LYS 68 HZ2 0.0029 0.0121 -0.0179 632 LYS 68 HZ3 0.0028 0.0106 -0.0185 633 LYS 69 N 0.0135 0.0164 0.0189 634 LYS 69 CA 0.0119 0.0140 0.0118 635 LYS 69 C 0.0057 0.0145 0.0195 636 LYS 69 O 0.0095 0.0154 0.0191 637 LYS 69 CB 0.0042 0.0091 0.0021 638 LYS 69 CG -0.0018 0.0057 -0.0046 639 LYS 69 CD -0.0101 0.0012 -0.0127 640 LYS 69 CE -0.0175 -0.0027 -0.0197 641 LYS 69 NZ -0.0256 -0.0069 -0.0267 642 LYS 69 H 0.0100 0.0147 0.0163 643 LYS 69 HA 0.0204 0.0151 0.0079 644 LYS 69 HB2 0.0096 0.0088 -0.0044 645 LYS 69 HB3 -0.0027 0.0084 0.0060 646 LYS 69 HG2 -0.0066 0.0063 0.0022 647 LYS 69 HG3 0.0049 0.0060 -0.0096 648 LYS 69 HD2 -0.0046 0.0009 -0.0190 649 LYS 69 HD3 -0.0159 0.0012 -0.0073 650 LYS 69 HE2 -0.0227 -0.0024 -0.0135 651 LYS 69 HE3 -0.0117 -0.0029 -0.0257 652 LYS 69 HZ1 -0.0313 -0.0097 -0.0315 653 LYS 69 HZ2 -0.0310 -0.0067 -0.0210 654 LYS 69 HZ3 -0.0207 -0.0072 -0.0325 655 ARG 70 N -0.0027 0.0131 0.0151 656 ARG 70 CA 0.0001 0.0121 0.0144 657 ARG 70 C 0.0036 0.0078 0.0158 658 ARG 70 O 0.0074 0.0070 0.0144 659 ARG 70 CB -0.0029 0.0122 0.0159 660 ARG 70 CG -0.0003 0.0117 0.0149 661 ARG 70 CD 0.0022 0.0151 0.0111 662 ARG 70 NE 0.0050 0.0145 0.0101 663 ARG 70 CZ 0.0089 0.0157 0.0072 664 ARG 70 NH1 0.0105 0.0176 0.0050 665 ARG 70 NH2 0.0111 0.0151 0.0065 666 ARG 70 H -0.0060 0.0131 0.0167 667 ARG 70 HA 0.0020 0.0144 0.0117 668 ARG 70 HB2 -0.0057 0.0151 0.0152 669 ARG 70 HB3 -0.0045 0.0097 0.0186 670 ARG 70 HG2 -0.0027 0.0119 0.0160 671 ARG 70 HG3 0.0022 0.0087 0.0159 672 ARG 70 HD2 0.0045 0.0149 0.0100 673 ARG 70 HD3 -0.0003 0.0181 0.0101 674 ARG 70 HE 0.0038 0.0132 0.0117 675 ARG 70 HH11 0.0089 0.0181 0.0054 676 ARG 70 HH12 0.0134 0.0184 0.0028 677 ARG 70 HH21 0.0099 0.0138 0.0081 678 ARG 70 HH22 0.0140 0.0160 0.0043 679 LEU 71 N 0.0010 0.0072 0.0120 680 LEU 71 CA 0.0021 0.0071 0.0131 681 LEU 71 C 0.0036 0.0082 0.0128 682 LEU 71 O 0.0047 0.0082 0.0138 683 LEU 71 CB 0.0016 0.0069 0.0131 684 LEU 71 CG 0.0001 0.0058 0.0134 685 LEU 71 CD1 -0.0001 0.0057 0.0134 686 LEU 71 CD2 -0.0000 0.0049 0.0148 687 LEU 71 H 0.0002 0.0072 0.0113 688 LEU 71 HA 0.0021 0.0065 0.0142 689 LEU 71 HB2 0.0016 0.0075 0.0120 690 LEU 71 HB3 0.0025 0.0069 0.0139 691 LEU 71 HG -0.0007 0.0059 0.0125 692 LEU 71 HD11 0.0008 0.0056 0.0143 693 LEU 71 HD12 -0.0000 0.0063 0.0124 694 LEU 71 HD13 -0.0012 0.0049 0.0136 695 LEU 71 HD21 0.0000 0.0050 0.0147 696 LEU 71 HD22 0.0009 0.0048 0.0157 697 LEU 71 HD23 -0.0011 0.0042 0.0150 698 LYS 72 N 0.0050 0.0143 0.0099 699 LYS 72 CA 0.0012 -0.0002 0.0066 700 LYS 72 C -0.0116 -0.0027 -0.0032 701 LYS 72 O -0.0186 -0.0086 -0.0086 702 LYS 72 CB 0.0094 -0.0122 0.0124 703 LYS 72 CG 0.0066 -0.0280 0.0097 704 LYS 72 CD 0.0155 -0.0390 0.0161 705 LYS 72 CE 0.0128 -0.0547 0.0135 706 LYS 72 NZ 0.0216 -0.0655 0.0199 707 LYS 72 H 0.0115 0.0150 0.0148 708 LYS 72 HA 0.0020 -0.0007 0.0071 709 LYS 72 HB2 0.0185 -0.0102 0.0193 710 LYS 72 HB3 0.0088 -0.0115 0.0119 711 LYS 72 HG2 -0.0022 -0.0306 0.0030 712 LYS 72 HG3 0.0067 -0.0288 0.0098 713 LYS 72 HD2 0.0242 -0.0363 0.0227 714 LYS 72 HD3 0.0152 -0.0382 0.0159 715 LYS 72 HE2 0.0042 -0.0575 0.0069 716 LYS 72 HE3 0.0126 -0.0552 0.0134 717 LYS 72 HZ1 0.0220 -0.0654 0.0201 718 LYS 72 HZ2 0.0300 -0.0632 0.0263 719 LYS 72 HZ3 0.0196 -0.0762 0.0179 720 GLN 73 N 0.0072 0.0043 0.0049 721 GLN 73 CA 0.0088 0.0058 0.0014 722 GLN 73 C 0.0100 0.0043 -0.0010 723 GLN 73 O 0.0114 0.0033 -0.0039 724 GLN 73 CB 0.0088 0.0100 0.0014 725 GLN 73 CG 0.0078 0.0118 0.0036 726 GLN 73 CD 0.0077 0.0161 0.0037 727 GLN 73 OE1 0.0079 0.0177 0.0033 728 GLN 73 NE2 0.0075 0.0179 0.0041 729 GLN 73 H 0.0064 0.0061 0.0067 730 GLN 73 HA 0.0092 0.0048 0.0006 731 GLN 73 HB2 0.0084 0.0110 0.0023 732 GLN 73 HB3 0.0100 0.0110 -0.0011 733 GLN 73 HG2 0.0082 0.0110 0.0027 734 GLN 73 HG3 0.0066 0.0108 0.0062 735 GLN 73 HE21 0.0074 0.0164 0.0043 736 GLN 73 HE22 0.0075 0.0206 0.0042 737 LEU 74 N 0.0086 0.0097 0.0060 738 LEU 74 CA 0.0103 0.0073 0.0052 739 LEU 74 C 0.0129 0.0011 0.0060 740 LEU 74 O 0.0150 -0.0015 0.0046 741 LEU 74 CB 0.0073 0.0089 0.0086 742 LEU 74 CG 0.0086 0.0072 0.0079 743 LEU 74 CD1 0.0109 0.0097 0.0025 744 LEU 74 CD2 0.0052 0.0090 0.0116 745 LEU 74 H 0.0060 0.0107 0.0091 746 LEU 74 HA 0.0120 0.0090 0.0013 747 LEU 74 HB2 0.0054 0.0132 0.0082 748 LEU 74 HB3 0.0058 0.0068 0.0123 749 LEU 74 HG 0.0102 0.0029 0.0085 750 LEU 74 HD11 0.0117 0.0085 0.0022 751 LEU 74 HD12 0.0093 0.0140 0.0017 752 LEU 74 HD13 0.0134 0.0082 -0.0001 753 LEU 74 HD21 0.0035 0.0134 0.0110 754 LEU 74 HD22 0.0061 0.0079 0.0110 755 LEU 74 HD23 0.0036 0.0072 0.0154 756 SER 75 N 0.0077 -0.0008 0.0025 757 SER 75 CA 0.0108 -0.0087 0.0040 758 SER 75 C 0.0077 -0.0158 0.0097 759 SER 75 O 0.0109 -0.0233 0.0109 760 SER 75 CB 0.0195 -0.0111 -0.0015 761 SER 75 OG 0.0226 -0.0185 -0.0003 762 SER 75 H 0.0038 0.0035 0.0034 763 SER 75 HA 0.0088 -0.0077 0.0050 764 SER 75 HB2 0.0213 -0.0059 -0.0053 765 SER 75 HB3 0.0215 -0.0121 -0.0025 766 SER 75 HG 0.0264 -0.0173 -0.0038 767 VAL 76 N 0.0017 -0.0010 0.0104 768 VAL 76 CA 0.0002 -0.0033 0.0127 769 VAL 76 C -0.0011 -0.0064 0.0151 770 VAL 76 O -0.0005 -0.0101 0.0153 771 VAL 76 CB -0.0021 -0.0004 0.0146 772 VAL 76 CG1 -0.0036 -0.0029 0.0170 773 VAL 76 CG2 -0.0008 0.0026 0.0123 774 VAL 76 H 0.0010 0.0020 0.0103 775 VAL 76 HA 0.0017 -0.0050 0.0114 776 VAL 76 HB -0.0035 0.0012 0.0158 777 VAL 76 HG11 -0.0052 -0.0008 0.0183 778 VAL 76 HG12 -0.0022 -0.0046 0.0158 779 VAL 76 HG13 -0.0046 -0.0049 0.0187 780 VAL 76 HG21 -0.0024 0.0047 0.0137 781 VAL 76 HG22 0.0002 0.0044 0.0107 782 VAL 76 HG23 0.0007 0.0010 0.0110 783 GLU 77 N -0.0036 0.0004 0.0068 784 GLU 77 CA -0.0022 0.0001 0.0071 785 GLU 77 C -0.0017 -0.0018 0.0068 786 GLU 77 O -0.0009 -0.0025 0.0068 787 GLU 77 CB -0.0007 0.0012 0.0076 788 GLU 77 CG -0.0002 0.0010 0.0077 789 GLU 77 CD 0.0013 0.0020 0.0082 790 GLU 77 OE1 0.0012 0.0036 0.0085 791 GLU 77 OE2 0.0027 0.0012 0.0083 792 GLU 77 H -0.0037 -0.0003 0.0066 793 GLU 77 HA -0.0026 0.0006 0.0071 794 GLU 77 HB2 0.0004 0.0008 0.0077 795 GLU 77 HB3 -0.0010 0.0025 0.0078 796 GLU 77 HG2 -0.0013 0.0015 0.0075 797 GLU 77 HG3 0.0001 -0.0003 0.0075 798 PRO 78 N -0.0070 -0.0156 0.0049 799 PRO 78 CA -0.0061 -0.0214 0.0060 800 PRO 78 C -0.0003 -0.0211 0.0060 801 PRO 78 O 0.0004 -0.0170 0.0053 802 PRO 78 CB -0.0117 -0.0220 0.0060 803 PRO 78 CG -0.0162 -0.0176 0.0052 804 PRO 78 CD -0.0125 -0.0126 0.0043 805 PRO 78 HA -0.0058 -0.0251 0.0066 806 PRO 78 HB2 -0.0104 -0.0210 0.0058 807 PRO 78 HB3 -0.0135 -0.0266 0.0068 808 PRO 78 HG2 -0.0191 -0.0160 0.0048 809 PRO 78 HG3 -0.0190 -0.0197 0.0055 810 PRO 78 HD2 -0.0114 -0.0093 0.0038 811 PRO 78 HD3 -0.0149 -0.0105 0.0039 812 TYR 79 N -0.0015 -0.0158 -0.0162 813 TYR 79 CA 0.0076 -0.0179 -0.0085 814 TYR 79 C 0.0077 -0.0083 0.0012 815 TYR 79 O 0.0105 -0.0050 0.0075 816 TYR 79 CB 0.0164 -0.0262 -0.0071 817 TYR 79 CG 0.0171 -0.0362 -0.0164 818 TYR 79 CD1 0.0129 -0.0388 -0.0236 819 TYR 79 CD2 0.0220 -0.0430 -0.0179 820 TYR 79 CE1 0.0134 -0.0478 -0.0320 821 TYR 79 CE2 0.0225 -0.0521 -0.0264 822 TYR 79 CZ 0.0182 -0.0545 -0.0334 823 TYR 79 OH 0.0187 -0.0636 -0.0420 824 TYR 79 H -0.0060 -0.0165 -0.0218 825 TYR 79 HA 0.0075 -0.0205 -0.0111 826 TYR 79 HB2 0.0162 -0.0240 -0.0052 827 TYR 79 HB3 0.0228 -0.0271 -0.0012 828 TYR 79 HD1 0.0091 -0.0335 -0.0225 829 TYR 79 HD2 0.0254 -0.0411 -0.0124 830 TYR 79 HE1 0.0100 -0.0497 -0.0375 831 TYR 79 HE2 0.0264 -0.0574 -0.0274 832 TYR 79 HH 0.0171 -0.0643 -0.0444 833 SER 80 N 0.0016 -0.0009 -0.0035 834 SER 80 CA 0.0024 0.0000 -0.0036 835 SER 80 C 0.0023 -0.0001 -0.0019 836 SER 80 O 0.0015 -0.0010 -0.0008 837 SER 80 CB 0.0036 0.0014 -0.0039 838 SER 80 OG 0.0044 0.0024 -0.0042 839 SER 80 H 0.0019 -0.0006 -0.0027 840 SER 80 HA 0.0021 -0.0003 -0.0048 841 SER 80 HB2 0.0036 0.0014 -0.0050 842 SER 80 HB3 0.0039 0.0017 -0.0027 843 SER 80 HG 0.0043 0.0022 -0.0054 844 GLN 81 N 0.0042 0.0053 -0.0114 845 GLN 81 CA 0.0054 0.0052 -0.0132 846 GLN 81 C 0.0067 0.0037 -0.0091 847 GLN 81 O 0.0084 0.0023 -0.0058 848 GLN 81 CB 0.0092 0.0044 -0.0170 849 GLN 81 CG 0.0100 0.0046 -0.0195 850 GLN 81 CD 0.0140 0.0037 -0.0230 851 GLN 81 OE1 0.0172 0.0022 -0.0226 852 GLN 81 NE2 0.0137 0.0046 -0.0266 853 GLN 81 H 0.0061 0.0047 -0.0121 854 GLN 81 HA 0.0025 0.0067 -0.0145 855 GLN 81 HB2 0.0084 0.0053 -0.0196 856 GLN 81 HB3 0.0121 0.0028 -0.0155 857 GLN 81 HG2 0.0105 0.0038 -0.0169 858 GLN 81 HG3 0.0071 0.0062 -0.0212 859 GLN 81 HE21 0.0110 0.0058 -0.0267 860 GLN 81 HE22 0.0162 0.0041 -0.0289 861 GLU 82 N -0.0036 0.0051 0.0018 862 GLU 82 CA -0.0033 0.0046 0.0032 863 GLU 82 C -0.0047 0.0045 0.0044 864 GLU 82 O -0.0047 0.0041 0.0057 865 GLU 82 CB -0.0016 0.0040 0.0038 866 GLU 82 CG -0.0011 0.0035 0.0052 867 GLU 82 CD 0.0005 0.0030 0.0057 868 GLU 82 OE1 0.0007 0.0027 0.0064 869 GLU 82 OE2 0.0017 0.0028 0.0053 870 GLU 82 H -0.0040 0.0054 0.0009 871 GLU 82 HA -0.0033 0.0047 0.0028 872 GLU 82 HB2 -0.0007 0.0041 0.0029 873 GLU 82 HB3 -0.0016 0.0039 0.0041 874 GLU 82 HG2 -0.0020 0.0034 0.0062 875 GLU 82 HG3 -0.0011 0.0035 0.0050 876 GLU 83 N -0.0148 0.0005 0.0180 877 GLU 83 CA -0.0210 -0.0043 0.0192 878 GLU 83 C -0.0306 -0.0136 0.0142 879 GLU 83 O -0.0387 -0.0184 0.0212 880 GLU 83 CB -0.0153 -0.0013 0.0128 881 GLU 83 CG -0.0211 -0.0059 0.0135 882 GLU 83 CD -0.0147 -0.0021 0.0082 883 GLU 83 OE1 -0.0125 -0.0034 -0.0031 884 GLU 83 OE2 -0.0118 0.0023 0.0156 885 GLU 83 H -0.0132 -0.0004 0.0099 886 GLU 83 HA -0.0230 -0.0032 0.0291 887 GLU 83 HB2 -0.0088 0.0052 0.0169 888 GLU 83 HB3 -0.0129 -0.0020 0.0031 889 GLU 83 HG2 -0.0271 -0.0124 0.0083 890 GLU 83 HG3 -0.0241 -0.0058 0.0231 891 ALA 84 N -0.0236 -0.0072 0.0080 892 ALA 84 CA -0.0401 -0.0131 -0.0033 893 ALA 84 C -0.0402 -0.0143 -0.0127 894 ALA 84 O -0.0494 -0.0186 -0.0266 895 ALA 84 CB -0.0410 -0.0151 -0.0175 896 ALA 84 H -0.0121 -0.0047 0.0014 897 ALA 84 HA -0.0517 -0.0153 0.0064 898 ALA 84 HB1 -0.0529 -0.0195 -0.0258 899 ALA 84 HB2 -0.0289 -0.0128 -0.0267 900 ALA 84 HB3 -0.0421 -0.0145 -0.0101 901 GLU 85 N -0.0232 0.0062 -0.0003 902 GLU 85 CA -0.0158 0.0091 -0.0068 903 GLU 85 C -0.0048 0.0055 0.0021 904 GLU 85 O 0.0051 0.0052 0.0033 905 GLU 85 CB -0.0103 0.0142 -0.0185 906 GLU 85 CG -0.0045 0.0180 -0.0274 907 GLU 85 CD 0.0089 0.0167 -0.0237 908 GLU 85 OE1 0.0193 0.0180 -0.0265 909 GLU 85 OE2 0.0092 0.0143 -0.0181 910 GLU 85 H -0.0195 0.0030 0.0075 911 GLU 85 HA -0.0220 0.0098 -0.0088 912 GLU 85 HB2 -0.0183 0.0160 -0.0232 913 GLU 85 HB3 -0.0027 0.0132 -0.0160 914 GLU 85 HG2 -0.0118 0.0175 -0.0266 915 GLU 85 HG3 -0.0045 0.0219 -0.0365 916 ARG 86 N -0.0185 0.0143 0.0351 917 ARG 86 CA -0.0210 0.0076 0.0245 918 ARG 86 C -0.0139 0.0085 0.0207 919 ARG 86 O -0.0037 0.0137 0.0229 920 ARG 86 CB -0.0198 0.0029 0.0146 921 ARG 86 CG -0.0084 0.0067 0.0134 922 ARG 86 CD 0.0036 0.0097 0.0099 923 ARG 86 NE 0.0140 0.0139 0.0099 924 ARG 86 CZ 0.0257 0.0183 0.0095 925 ARG 86 NH1 0.0288 0.0190 0.0084 926 ARG 86 NH2 0.0341 0.0220 0.0101 927 ARG 86 H -0.0101 0.0180 0.0358 928 ARG 86 HA -0.0305 0.0048 0.0263 929 ARG 86 HB2 -0.0195 -0.0014 0.0065 930 ARG 86 HB3 -0.0278 0.0005 0.0162 931 ARG 86 HG2 -0.0090 0.0030 0.0067 932 ARG 86 HG3 -0.0084 0.0111 0.0215 933 ARG 86 HD2 0.0041 0.0131 0.0160 934 ARG 86 HD3 0.0041 0.0053 0.0013 935 ARG 86 HE 0.0119 0.0133 0.0105 936 ARG 86 HH11 0.0229 0.0163 0.0078 937 ARG 86 HH12 0.0375 0.0222 0.0080 938 ARG 86 HH21 0.0321 0.0216 0.0108 939 ARG 86 HH22 0.0429 0.0254 0.0098 940 ALA 87 N -0.0038 0.0149 0.0173 941 ALA 87 CA 0.0047 0.0140 0.0059 942 ALA 87 C 0.0038 0.0092 0.0198 943 ALA 87 O 0.0161 0.0020 0.0185 944 ALA 87 CB 0.0240 0.0052 -0.0026 945 ALA 87 H 0.0031 0.0072 0.0259 946 ALA 87 HA -0.0024 0.0229 -0.0058 947 ALA 87 HB1 0.0309 -0.0036 0.0093 948 ALA 87 HB2 0.0245 0.0087 -0.0123 949 ALA 87 HB3 0.0305 0.0043 -0.0106 950 ALA 88 N -0.0170 0.0165 0.0142 951 ALA 88 CA -0.0164 0.0223 0.0077 952 ALA 88 C -0.0121 0.0352 0.0053 953 ALA 88 O -0.0077 0.0426 0.0124 954 ALA 88 CB -0.0154 0.0204 0.0146 955 ALA 88 H -0.0139 0.0201 0.0213 956 ALA 88 HA -0.0199 0.0185 -0.0011 957 ALA 88 HB1 -0.0119 0.0243 0.0233 958 ALA 88 HB2 -0.0185 0.0111 0.0162 959 ALA 88 HB3 -0.0151 0.0247 0.0092 960 GLY 89 N 0.0549 0.0306 -0.0165 961 GLY 89 CA 0.0209 0.0388 -0.0174 962 GLY 89 C 0.0276 0.0396 -0.0284 963 GLY 89 O 0.0477 0.0310 -0.0101 964 GLY 89 H 0.0773 0.0280 -0.0293 965 GLY 89 HA2 0.0074 0.0363 0.0099 966 GLY 89 HA3 0.0036 0.0471 -0.0371 967 MET 90 N 0.0195 0.0256 0.0116 968 MET 90 CA 0.0219 0.0263 0.0091 969 MET 90 C 0.0289 0.0281 -0.0040 970 MET 90 O 0.0233 0.0255 -0.0147 971 MET 90 CB 0.0098 0.0221 0.0098 972 MET 90 CG 0.0113 0.0226 0.0101 973 MET 90 SD 0.0188 0.0244 -0.0045 974 MET 90 CE 0.0176 0.0242 -0.0008 975 MET 90 H 0.0233 0.0274 0.0194 976 MET 90 HA 0.0281 0.0290 0.0167 977 MET 90 HB2 0.0047 0.0207 0.0187 978 MET 90 HB3 0.0042 0.0196 0.0015 979 MET 90 HG2 0.0169 0.0251 0.0184 980 MET 90 HG3 0.0022 0.0195 0.0114 981 MET 90 HE1 0.0225 0.0265 0.0082 982 MET 90 HE2 0.0217 0.0252 -0.0088 983 MET 90 HE3 0.0080 0.0209 0.0005 984 GLY 91 N -0.1791 -0.0486 0.1574 985 GLY 91 CA -0.0661 -0.0197 -0.0085 986 GLY 91 C 0.0386 -0.0134 0.0597 987 GLY 91 O 0.2251 0.0072 0.0786 988 GLY 91 H -0.1067 -0.0516 0.2847 989 GLY 91 HA2 -0.1688 -0.0205 -0.1346 990 GLY 91 HA3 0.0476 -0.0016 -0.0569 991 SER 92 N 0.0285 0.0073 -0.0149 992 SER 92 CA 0.0366 0.0155 -0.0217 993 SER 92 C 0.0366 0.0123 -0.0452 994 SER 92 O 0.0255 -0.0012 -0.0530 995 SER 92 CB 0.0308 0.0107 -0.0096 996 SER 92 OG 0.0310 0.0139 0.0124 997 SER 92 H 0.0184 -0.0042 -0.0163 998 SER 92 HA 0.0473 0.0280 -0.0182 999 SER 92 HB2 0.0202 -0.0017 -0.0130 1000 SER 92 HB3 0.0373 0.0174 -0.0140 1001 SER 92 HG 0.0328 0.0162 0.0140 1002 TYR 93 N -0.0311 0.0126 -0.0171 1003 TYR 93 CA -0.0222 0.0066 -0.0119 1004 TYR 93 C -0.0130 0.0085 -0.0045 1005 TYR 93 O -0.0144 0.0115 -0.0047 1006 TYR 93 CB -0.0228 -0.0074 -0.0162 1007 TYR 93 CG -0.0147 -0.0146 -0.0119 1008 TYR 93 CD1 -0.0162 -0.0155 -0.0133 1009 TYR 93 CD2 -0.0057 -0.0206 -0.0067 1010 TYR 93 CE1 -0.0089 -0.0220 -0.0095 1011 TYR 93 CE2 0.0017 -0.0272 -0.0028 1012 TYR 93 CZ 0.0000 -0.0278 -0.0043 1013 TYR 93 OH 0.0074 -0.0343 -0.0004 1014 TYR 93 H -0.0327 0.0091 -0.0193 1015 TYR 93 HA -0.0218 0.0107 -0.0105 1016 TYR 93 HB2 -0.0301 -0.0083 -0.0220 1017 TYR 93 HB3 -0.0223 -0.0115 -0.0169 1018 TYR 93 HD1 -0.0232 -0.0109 -0.0174 1019 TYR 93 HD2 -0.0044 -0.0201 -0.0055 1020 TYR 93 HE1 -0.0102 -0.0225 -0.0106 1021 TYR 93 HE2 0.0087 -0.0318 0.0013 1022 TYR 93 HH 0.0137 -0.0316 0.0051 1023 VAL 94 N -0.0203 -0.0127 0.0060 1024 VAL 94 CA -0.0171 -0.0086 0.0030 1025 VAL 94 C -0.0167 -0.0042 0.0033 1026 VAL 94 O -0.0160 -0.0056 0.0022 1027 VAL 94 CB -0.0134 -0.0112 -0.0016 1028 VAL 94 CG1 -0.0125 -0.0150 -0.0032 1029 VAL 94 CG2 -0.0101 -0.0068 -0.0046 1030 VAL 94 H -0.0200 -0.0166 0.0050 1031 VAL 94 HA -0.0176 -0.0063 0.0040 1032 VAL 94 HB -0.0137 -0.0138 -0.0017 1033 VAL 94 HG11 -0.0100 -0.0167 -0.0064 1034 VAL 94 HG12 -0.0123 -0.0126 -0.0031 1035 VAL 94 HG13 -0.0148 -0.0183 -0.0012 1036 VAL 94 HG21 -0.0097 -0.0040 -0.0046 1037 VAL 94 HG22 -0.0076 -0.0087 -0.0078 1038 VAL 94 HG23 -0.0106 -0.0044 -0.0037