1 ASP 28 N -0.0298 0.0040 -0.0930 2 ASP 28 CA -0.0184 0.0137 -0.0777 3 ASP 28 C -0.0220 -0.0008 -0.0642 4 ASP 28 O -0.0289 -0.0173 -0.0563 5 ASP 28 CB -0.0082 0.0221 -0.0635 6 ASP 28 CG 0.0040 0.0325 -0.0474 7 ASP 28 OD1 0.0108 0.0479 -0.0538 8 ASP 28 OD2 0.0072 0.0260 -0.0282 9 ASP 28 H -0.0276 0.0136 -0.1023 10 ASP 28 HA -0.0147 0.0254 -0.0866 11 ASP 28 HB2 -0.0057 0.0324 -0.0734 12 ASP 28 HB3 -0.0121 0.0102 -0.0551 13 PRO 29 N -0.0204 0.0093 -0.0822 14 PRO 29 CA -0.0269 -0.0077 -0.0658 15 PRO 29 C -0.0183 -0.0145 -0.0314 16 PRO 29 O 0.0004 0.0027 -0.0177 17 PRO 29 CB -0.0172 0.0087 -0.0729 18 PRO 29 CG -0.0117 0.0300 -0.1001 19 PRO 29 CD -0.0074 0.0349 -0.0987 20 PRO 29 HA -0.0438 -0.0254 -0.0742 21 PRO 29 HB2 -0.0035 0.0160 -0.0529 22 PRO 29 HB3 -0.0285 -0.0036 -0.0776 23 PRO 29 HG2 0.0022 0.0475 -0.0990 24 PRO 29 HG3 -0.0248 0.0238 -0.1209 25 PRO 29 HD2 0.0092 0.0500 -0.0863 26 PRO 29 HD3 -0.0124 0.0404 -0.1218 27 ASN 30 N -0.0220 -0.0431 -0.0140 28 ASN 30 CA -0.0223 -0.0469 0.0098 29 ASN 30 C -0.0168 -0.0328 0.0123 30 ASN 30 O -0.0091 -0.0140 0.0233 31 ASN 30 CB -0.0198 -0.0427 0.0311 32 ASN 30 CG -0.0197 -0.0457 0.0572 33 ASN 30 OD1 -0.0265 -0.0647 0.0678 34 ASN 30 ND2 -0.0121 -0.0272 0.0680 35 ASN 30 H -0.0276 -0.0568 -0.0235 36 ASN 30 HA -0.0292 -0.0650 0.0105 37 ASN 30 HB2 -0.0245 -0.0549 0.0290 38 ASN 30 HB3 -0.0133 -0.0253 0.0277 39 ASN 30 HD21 -0.0068 -0.0123 0.0588 40 ASN 30 HD22 -0.0120 -0.0288 0.0847 41 ALA 31 N -0.0202 -0.0390 0.0073 42 ALA 31 CA -0.0166 -0.0313 0.0092 43 ALA 31 C -0.0204 -0.0398 0.0040 44 ALA 31 O -0.0198 -0.0402 -0.0096 45 ALA 31 CB -0.0096 -0.0177 0.0005 46 ALA 31 H -0.0239 -0.0476 0.0012 47 ALA 31 HA -0.0161 -0.0287 0.0212 48 ALA 31 HB1 -0.0070 -0.0120 0.0026 49 ALA 31 HB2 -0.0100 -0.0201 -0.0115 50 ALA 31 HB3 -0.0069 -0.0117 0.0044 51 GLU 32 N -0.0140 -0.0406 0.0108 52 GLU 32 CA -0.0126 -0.0429 0.0070 53 GLU 32 C -0.0094 -0.0313 0.0067 54 GLU 32 O -0.0065 -0.0305 0.0018 55 GLU 32 CB -0.0185 -0.0504 0.0142 56 GLU 32 CG -0.0231 -0.0450 0.0258 57 GLU 32 CD -0.0287 -0.0527 0.0324 58 GLU 32 OE1 -0.0287 -0.0517 0.0329 59 GLU 32 OE2 -0.0331 -0.0600 0.0372 60 GLU 32 H -0.0182 -0.0414 0.0183 61 GLU 32 HA -0.0097 -0.0476 -0.0009 62 GLU 32 HB2 -0.0172 -0.0520 0.0110 63 GLU 32 HB3 -0.0206 -0.0585 0.0141 64 GLU 32 HG2 -0.0246 -0.0436 0.0293 65 GLU 32 HG3 -0.0210 -0.0367 0.0260 66 PHE 33 N -0.0071 -0.0192 0.0164 67 PHE 33 CA -0.0052 -0.0112 0.0171 68 PHE 33 C -0.0013 -0.0067 0.0127 69 PHE 33 O -0.0006 -0.0098 0.0099 70 PHE 33 CB -0.0087 -0.0076 0.0249 71 PHE 33 CG -0.0109 -0.0087 0.0281 72 PHE 33 CD1 -0.0091 -0.0037 0.0274 73 PHE 33 CD2 -0.0149 -0.0149 0.0318 74 PHE 33 CE1 -0.0110 -0.0048 0.0302 75 PHE 33 CE2 -0.0168 -0.0161 0.0346 76 PHE 33 CZ -0.0149 -0.0110 0.0339 77 PHE 33 H -0.0089 -0.0208 0.0187 78 PHE 33 HA -0.0041 -0.0108 0.0155 79 PHE 33 HB2 -0.0072 -0.0014 0.0253 80 PHE 33 HB3 -0.0112 -0.0102 0.0279 81 PHE 33 HD1 -0.0060 0.0012 0.0245 82 PHE 33 HD2 -0.0164 -0.0189 0.0324 83 PHE 33 HE1 -0.0095 -0.0008 0.0296 84 PHE 33 HE2 -0.0199 -0.0209 0.0375 85 PHE 33 HZ -0.0165 -0.0119 0.0361 86 ASP 34 N -0.0013 0.0022 0.0165 87 ASP 34 CA -0.0010 0.0022 0.0164 88 ASP 34 C -0.0008 0.0022 0.0164 89 ASP 34 O -0.0009 0.0022 0.0167 90 ASP 34 CB -0.0009 0.0022 0.0166 91 ASP 34 CG -0.0006 0.0022 0.0165 92 ASP 34 OD1 -0.0004 0.0022 0.0165 93 ASP 34 OD2 -0.0006 0.0021 0.0163 94 ASP 34 H -0.0014 0.0022 0.0167 95 ASP 34 HA -0.0010 0.0021 0.0162 96 ASP 34 HB2 -0.0010 0.0022 0.0166 97 ASP 34 HB3 -0.0009 0.0023 0.0168 98 PRO 35 N 0.0032 0.0072 0.0125 99 PRO 35 CA 0.0072 0.0093 0.0146 100 PRO 35 C 0.0091 0.0107 0.0153 101 PRO 35 O 0.0125 0.0126 0.0169 102 PRO 35 CB 0.0082 0.0124 0.0119 103 PRO 35 CG 0.0055 0.0130 0.0079 104 PRO 35 CD 0.0020 0.0094 0.0082 105 PRO 35 HA 0.0080 0.0079 0.0175 106 PRO 35 HB2 0.0110 0.0147 0.0124 107 PRO 35 HB3 0.0081 0.0118 0.0126 108 PRO 35 HG2 0.0064 0.0147 0.0068 109 PRO 35 HG3 0.0051 0.0143 0.0059 110 PRO 35 HD2 0.0006 0.0095 0.0064 111 PRO 35 HD3 0.0002 0.0084 0.0074 112 ASP 36 N -0.0007 -0.0007 0.0159 113 ASP 36 CA -0.0012 -0.0044 0.0171 114 ASP 36 C -0.0011 -0.0059 0.0173 115 ASP 36 O -0.0006 -0.0091 0.0169 116 ASP 36 CB -0.0031 -0.0047 0.0204 117 ASP 36 CG -0.0037 -0.0085 0.0219 118 ASP 36 OD1 -0.0029 -0.0108 0.0209 119 ASP 36 OD2 -0.0050 -0.0093 0.0241 120 ASP 36 H -0.0018 0.0013 0.0172 121 ASP 36 HA -0.0001 -0.0060 0.0156 122 ASP 36 HB2 -0.0031 -0.0038 0.0201 123 ASP 36 HB3 -0.0042 -0.0029 0.0219 124 LEU 37 N -0.0028 -0.0042 0.0200 125 LEU 37 CA -0.0028 -0.0041 0.0201 126 LEU 37 C -0.0019 -0.0036 0.0169 127 LEU 37 O -0.0014 -0.0015 0.0153 128 LEU 37 CB -0.0034 -0.0017 0.0224 129 LEU 37 CG -0.0044 -0.0025 0.0258 130 LEU 37 CD1 -0.0047 -0.0055 0.0265 131 LEU 37 CD2 -0.0047 -0.0026 0.0268 132 LEU 37 H -0.0028 -0.0022 0.0203 133 LEU 37 HA -0.0030 -0.0064 0.0208 134 LEU 37 HB2 -0.0033 0.0004 0.0219 135 LEU 37 HB3 -0.0033 -0.0013 0.0218 136 LEU 37 HG -0.0048 -0.0007 0.0270 137 LEU 37 HD11 -0.0054 -0.0060 0.0289 138 LEU 37 HD12 -0.0043 -0.0075 0.0252 139 LEU 37 HD13 -0.0045 -0.0054 0.0259 140 LEU 37 HD21 -0.0054 -0.0032 0.0292 141 LEU 37 HD22 -0.0046 -0.0004 0.0265 142 LEU 37 HD23 -0.0044 -0.0044 0.0256 143 PRO 38 N -0.0042 -0.0052 0.0142 144 PRO 38 CA -0.0037 -0.0044 0.0102 145 PRO 38 C -0.0023 -0.0004 0.0097 146 PRO 38 O -0.0019 0.0013 0.0118 147 PRO 38 CB -0.0043 -0.0067 0.0092 148 PRO 38 CG -0.0054 -0.0096 0.0121 149 PRO 38 CD -0.0051 -0.0079 0.0157 150 PRO 38 HA -0.0038 -0.0053 0.0085 151 PRO 38 HB2 -0.0038 -0.0049 0.0093 152 PRO 38 HB3 -0.0045 -0.0078 0.0063 153 PRO 38 HG2 -0.0057 -0.0103 0.0125 154 PRO 38 HG3 -0.0061 -0.0119 0.0111 155 PRO 38 HD2 -0.0048 -0.0066 0.0173 156 PRO 38 HD3 -0.0059 -0.0100 0.0173 157 GLY 39 N -0.0030 0.0018 0.0088 158 GLY 39 CA -0.0018 0.0055 0.0081 159 GLY 39 C -0.0015 0.0080 0.0110 160 GLY 39 O -0.0008 0.0110 0.0117 161 GLY 39 H -0.0031 0.0006 0.0074 162 GLY 39 HA2 -0.0011 0.0062 0.0054 163 GLY 39 HA3 -0.0017 0.0058 0.0082 164 GLY 40 N -0.0031 0.0067 0.0159 165 GLY 40 CA -0.0023 0.0064 0.0171 166 GLY 40 C -0.0010 0.0071 0.0184 167 GLY 40 O -0.0002 0.0072 0.0195 168 GLY 40 H -0.0036 0.0056 0.0157 169 GLY 40 HA2 -0.0025 0.0050 0.0174 170 GLY 40 HA3 -0.0024 0.0072 0.0166 171 GLY 41 N -0.0011 0.0069 0.0181 172 GLY 41 CA -0.0004 0.0078 0.0207 173 GLY 41 C 0.0009 0.0115 0.0204 174 GLY 41 O 0.0017 0.0128 0.0226 175 GLY 41 H -0.0018 0.0057 0.0161 176 GLY 41 HA2 -0.0010 0.0064 0.0203 177 GLY 41 HA3 -0.0003 0.0072 0.0232 178 LEU 42 N 0.0020 0.0154 0.0168 179 LEU 42 CA 0.0031 0.0188 0.0163 180 LEU 42 C 0.0025 0.0232 0.0142 181 LEU 42 O 0.0038 0.0265 0.0139 182 LEU 42 CB 0.0007 0.0176 0.0151 183 LEU 42 CG 0.0009 0.0133 0.0168 184 LEU 42 CD1 -0.0017 0.0126 0.0153 185 LEU 42 CD2 0.0050 0.0131 0.0197 186 LEU 42 H -0.0007 0.0139 0.0155 187 LEU 42 HA 0.0060 0.0190 0.0182 188 LEU 42 HB2 -0.0023 0.0175 0.0131 189 LEU 42 HB3 0.0016 0.0202 0.0147 190 LEU 42 HG -0.0001 0.0107 0.0171 191 LEU 42 HD11 -0.0014 0.0095 0.0166 192 LEU 42 HD12 -0.0008 0.0152 0.0149 193 LEU 42 HD13 -0.0046 0.0124 0.0134 194 LEU 42 HD21 0.0061 0.0158 0.0195 195 LEU 42 HD22 0.0051 0.0101 0.0209 196 LEU 42 HD23 0.0068 0.0134 0.0208 197 HIS 43 N 0.0042 0.0152 0.0125 198 HIS 43 CA 0.0044 0.0154 0.0088 199 HIS 43 C 0.0026 0.0121 0.0104 200 HIS 43 O 0.0005 0.0080 0.0096 201 HIS 43 CB 0.0041 0.0141 0.0033 202 HIS 43 CG 0.0056 0.0168 0.0014 203 HIS 43 ND1 0.0079 0.0210 -0.0008 204 HIS 43 CD2 0.0051 0.0159 0.0012 205 HIS 43 CE1 0.0088 0.0225 -0.0022 206 HIS 43 NE2 0.0071 0.0195 -0.0010 207 HIS 43 H 0.0026 0.0123 0.0133 208 HIS 43 HA 0.0062 0.0188 0.0089 209 HIS 43 HB2 0.0022 0.0105 0.0030 210 HIS 43 HB3 0.0045 0.0147 0.0008 211 HIS 43 HD1 0.0088 0.0227 -0.0011 212 HIS 43 HD2 0.0034 0.0128 0.0026 213 HIS 43 HE1 0.0106 0.0257 -0.0042 214 HIS 43 HE2 0.0074 0.0201 -0.0010 215 ARG 44 N 0.0034 0.0130 0.0121 216 ARG 44 CA 0.0016 0.0102 0.0140 217 ARG 44 C 0.0024 0.0112 0.0126 218 ARG 44 O 0.0044 0.0148 0.0120 219 ARG 44 CB 0.0011 0.0108 0.0193 220 ARG 44 CG 0.0009 0.0111 0.0216 221 ARG 44 CD 0.0006 0.0122 0.0268 222 ARG 44 NE 0.0005 0.0128 0.0293 223 ARG 44 CZ -0.0000 0.0133 0.0340 224 ARG 44 NH1 -0.0004 0.0133 0.0366 225 ARG 44 NH2 -0.0001 0.0137 0.0360 226 ARG 44 H 0.0049 0.0161 0.0126 227 ARG 44 HA 0.0001 0.0069 0.0131 228 ARG 44 HB2 0.0024 0.0136 0.0202 229 ARG 44 HB3 -0.0004 0.0082 0.0206 230 ARG 44 HG2 -0.0006 0.0081 0.0210 231 ARG 44 HG3 0.0024 0.0135 0.0201 232 ARG 44 HD2 0.0020 0.0150 0.0273 233 ARG 44 HD3 -0.0009 0.0096 0.0282 234 ARG 44 HE 0.0008 0.0128 0.0274 235 ARG 44 HH11 -0.0003 0.0130 0.0352 236 ARG 44 HH12 -0.0008 0.0137 0.0401 237 ARG 44 HH21 0.0002 0.0137 0.0342 238 ARG 44 HH22 -0.0005 0.0140 0.0395 239 CYS 45 N 0.0014 0.0068 0.0101 240 CYS 45 CA 0.0018 0.0068 0.0089 241 CYS 45 C 0.0001 0.0063 0.0132 242 CYS 45 O -0.0028 0.0035 0.0147 243 CYS 45 CB 0.0004 0.0038 0.0049 244 CYS 45 SG 0.0003 0.0033 0.0038 245 CYS 45 H -0.0006 0.0046 0.0103 246 CYS 45 HA 0.0043 0.0095 0.0082 247 CYS 45 HB2 0.0020 0.0045 0.0018 248 CYS 45 HB3 -0.0019 0.0012 0.0052 249 LEU 46 N 0.0017 0.0087 0.0145 250 LEU 46 CA -0.0004 0.0089 0.0188 251 LEU 46 C -0.0035 0.0055 0.0179 252 LEU 46 O -0.0067 0.0040 0.0209 253 LEU 46 CB 0.0023 0.0125 0.0205 254 LEU 46 CG 0.0053 0.0161 0.0218 255 LEU 46 CD1 0.0081 0.0194 0.0231 256 LEU 46 CD2 0.0035 0.0164 0.0257 257 LEU 46 H 0.0044 0.0106 0.0130 258 LEU 46 HA -0.0018 0.0089 0.0214 259 LEU 46 HB2 0.0037 0.0125 0.0179 260 LEU 46 HB3 0.0007 0.0125 0.0236 261 LEU 46 HG 0.0068 0.0159 0.0187 262 LEU 46 HD11 0.0095 0.0193 0.0202 263 LEU 46 HD12 0.0101 0.0219 0.0241 264 LEU 46 HD13 0.0065 0.0194 0.0260 265 LEU 46 HD21 0.0017 0.0141 0.0246 266 LEU 46 HD22 0.0017 0.0163 0.0288 267 LEU 46 HD23 0.0057 0.0190 0.0266 268 ALA 47 N -0.0006 0.0041 0.0105 269 ALA 47 CA -0.0029 0.0018 0.0087 270 ALA 47 C -0.0066 -0.0010 0.0084 271 ALA 47 O -0.0092 -0.0031 0.0079 272 ALA 47 CB -0.0011 0.0018 0.0043 273 ALA 47 H 0.0017 0.0053 0.0087 274 ALA 47 HA -0.0034 0.0021 0.0108 275 ALA 47 HB1 -0.0028 0.0002 0.0030 276 ALA 47 HB2 -0.0007 0.0015 0.0021 277 ALA 47 HB3 0.0015 0.0039 0.0045 278 CYS 48 N -0.0061 -0.0013 0.0130 279 CYS 48 CA -0.0087 -0.0048 0.0125 280 CYS 48 C -0.0100 -0.0050 0.0161 281 CYS 48 O -0.0125 -0.0080 0.0165 282 CYS 48 CB -0.0081 -0.0061 0.0078 283 CYS 48 SG -0.0074 -0.0068 0.0037 284 CYS 48 H -0.0042 0.0009 0.0127 285 CYS 48 HA -0.0103 -0.0068 0.0129 286 CYS 48 HB2 -0.0062 -0.0042 0.0064 287 CYS 48 HB3 -0.0102 -0.0087 0.0075 288 ALA 49 N -0.0083 -0.0032 0.0198 289 ALA 49 CA -0.0093 -0.0029 0.0237 290 ALA 49 C -0.0100 -0.0048 0.0215 291 ALA 49 O -0.0117 -0.0060 0.0241 292 ALA 49 CB -0.0123 -0.0051 0.0278 293 ALA 49 H -0.0063 -0.0006 0.0193 294 ALA 49 HA -0.0074 0.0003 0.0251 295 ALA 49 HB1 -0.0142 -0.0084 0.0264 296 ALA 49 HB2 -0.0117 -0.0038 0.0293 297 ALA 49 HB3 -0.0129 -0.0047 0.0307 298 ARG 50 N -0.0083 -0.0044 0.0174 299 ARG 50 CA -0.0088 -0.0060 0.0150 300 ARG 50 C -0.0060 -0.0028 0.0142 301 ARG 50 O -0.0033 0.0002 0.0132 302 ARG 50 CB -0.0094 -0.0088 0.0104 303 ARG 50 CG -0.0124 -0.0123 0.0110 304 ARG 50 CD -0.0129 -0.0149 0.0063 305 ARG 50 NE -0.0157 -0.0183 0.0067 306 ARG 50 CZ -0.0165 -0.0209 0.0030 307 ARG 50 NH1 -0.0148 -0.0206 -0.0013 308 ARG 50 NH2 -0.0190 -0.0238 0.0037 309 ARG 50 H -0.0068 -0.0032 0.0158 310 ARG 50 HA -0.0107 -0.0076 0.0173 311 ARG 50 HB2 -0.0074 -0.0072 0.0082 312 ARG 50 HB3 -0.0096 -0.0097 0.0088 313 ARG 50 HG2 -0.0144 -0.0139 0.0131 314 ARG 50 HG3 -0.0122 -0.0114 0.0126 315 ARG 50 HD2 -0.0108 -0.0132 0.0041 316 ARG 50 HD3 -0.0131 -0.0159 0.0047 317 ARG 50 HE -0.0169 -0.0186 0.0099 318 ARG 50 HH11 -0.0129 -0.0184 -0.0020 319 ARG 50 HH12 -0.0154 -0.0225 -0.0041 320 ARG 50 HH21 -0.0204 -0.0242 0.0070 321 ARG 50 HH22 -0.0197 -0.0257 0.0011 322 TYR 51 N -0.0060 -0.0045 0.0151 323 TYR 51 CA -0.0044 -0.0019 0.0139 324 TYR 51 C -0.0042 -0.0032 0.0090 325 TYR 51 O -0.0059 -0.0069 0.0077 326 TYR 51 CB -0.0053 -0.0026 0.0171 327 TYR 51 CG -0.0059 -0.0017 0.0222 328 TYR 51 CD1 -0.0080 -0.0049 0.0247 329 TYR 51 CD2 -0.0042 0.0022 0.0245 330 TYR 51 CE1 -0.0084 -0.0042 0.0294 331 TYR 51 CE2 -0.0047 0.0029 0.0291 332 TYR 51 CZ -0.0068 -0.0003 0.0315 333 TYR 51 OH -0.0073 0.0004 0.0362 334 TYR 51 H -0.0075 -0.0073 0.0156 335 TYR 51 HA -0.0028 0.0013 0.0144 336 TYR 51 HB2 -0.0069 -0.0058 0.0165 337 TYR 51 HB3 -0.0041 -0.0005 0.0163 338 TYR 51 HD1 -0.0092 -0.0080 0.0230 339 TYR 51 HD2 -0.0026 0.0047 0.0226 340 TYR 51 HE1 -0.0101 -0.0067 0.0312 341 TYR 51 HE2 -0.0034 0.0060 0.0309 342 TYR 51 HH -0.0088 -0.0019 0.0377 343 PHE 52 N -0.0021 -0.0004 0.0056 344 PHE 52 CA -0.0015 -0.0012 0.0007 345 PHE 52 C -0.0001 0.0008 0.0002 346 PHE 52 O 0.0015 0.0042 0.0026 347 PHE 52 CB 0.0003 0.0004 -0.0027 348 PHE 52 CG -0.0010 -0.0015 -0.0025 349 PHE 52 CD1 -0.0008 -0.0000 0.0010 350 PHE 52 CD2 -0.0023 -0.0048 -0.0058 351 PHE 52 CE1 -0.0020 -0.0018 0.0013 352 PHE 52 CE2 -0.0035 -0.0066 -0.0056 353 PHE 52 CZ -0.0033 -0.0050 -0.0021 354 PHE 52 H -0.0006 0.0025 0.0069 355 PHE 52 HA -0.0034 -0.0046 -0.0002 356 PHE 52 HB2 0.0022 0.0037 -0.0018 357 PHE 52 HB3 0.0007 -0.0003 -0.0064 358 PHE 52 HD1 0.0002 0.0026 0.0037 359 PHE 52 HD2 -0.0025 -0.0060 -0.0086 360 PHE 52 HE1 -0.0018 -0.0005 0.0041 361 PHE 52 HE2 -0.0045 -0.0091 -0.0083 362 PHE 52 HZ -0.0042 -0.0064 -0.0019 363 ILE 53 N -0.0013 -0.0014 -0.0033 364 ILE 53 CA -0.0002 0.0002 -0.0043 365 ILE 53 C 0.0029 0.0048 -0.0063 366 ILE 53 O 0.0042 0.0075 -0.0054 367 ILE 53 CB -0.0013 -0.0032 -0.0081 368 ILE 53 CG1 -0.0006 -0.0042 -0.0131 369 ILE 53 CG2 -0.0043 -0.0075 -0.0057 370 ILE 53 CD1 -0.0016 -0.0074 -0.0171 371 ILE 53 H -0.0025 -0.0042 -0.0053 372 ILE 53 HA -0.0008 0.0005 -0.0008 373 ILE 53 HB -0.0002 -0.0017 -0.0088 374 ILE 53 HG12 -0.0016 -0.0056 -0.0123 375 ILE 53 HG13 0.0015 -0.0010 -0.0146 376 ILE 53 HG21 -0.0054 -0.0090 -0.0046 377 ILE 53 HG22 -0.0046 -0.0067 -0.0024 378 ILE 53 HG23 -0.0050 -0.0099 -0.0084 379 ILE 53 HD11 -0.0005 -0.0060 -0.0181 380 ILE 53 HD12 -0.0011 -0.0079 -0.0204 381 ILE 53 HD13 -0.0037 -0.0106 -0.0156 382 ASP 54 N 0.0044 0.0054 -0.0097 383 ASP 54 CA 0.0076 0.0099 -0.0123 384 ASP 54 C 0.0085 0.0115 -0.0124 385 ASP 54 O 0.0068 0.0083 -0.0123 386 ASP 54 CB 0.0088 0.0090 -0.0181 387 ASP 54 CG 0.0121 0.0136 -0.0209 388 ASP 54 OD1 0.0135 0.0166 -0.0200 389 ASP 54 OD2 0.0134 0.0142 -0.0242 390 ASP 54 H 0.0032 0.0030 -0.0101 391 ASP 54 HA 0.0086 0.0128 -0.0099 392 ASP 54 HB2 0.0080 0.0077 -0.0179 393 ASP 54 HB3 0.0079 0.0061 -0.0205 394 SER 55 N 0.0106 0.0161 -0.0139 395 SER 55 CA 0.0115 0.0181 -0.0137 396 SER 55 C 0.0117 0.0159 -0.0184 397 SER 55 O 0.0112 0.0152 -0.0179 398 SER 55 CB 0.0142 0.0238 -0.0137 399 SER 55 OG 0.0153 0.0261 -0.0137 400 SER 55 H 0.0117 0.0183 -0.0143 401 SER 55 HA 0.0102 0.0173 -0.0102 402 SER 55 HB2 0.0139 0.0252 -0.0101 403 SER 55 HB3 0.0155 0.0248 -0.0169 404 SER 55 HG 0.0163 0.0262 -0.0173 405 THR 56 N 0.0133 0.0151 -0.0229 406 THR 56 CA 0.0137 0.0126 -0.0274 407 THR 56 C 0.0112 0.0072 -0.0261 408 THR 56 O 0.0110 0.0058 -0.0273 409 THR 56 CB 0.0149 0.0119 -0.0324 410 THR 56 OG1 0.0171 0.0169 -0.0332 411 THR 56 CG2 0.0157 0.0100 -0.0373 412 THR 56 H 0.0137 0.0158 -0.0235 413 THR 56 HA 0.0148 0.0150 -0.0281 414 THR 56 HB 0.0136 0.0091 -0.0317 415 THR 56 HG1 0.0165 0.0172 -0.0308 416 THR 56 HG21 0.0166 0.0095 -0.0407 417 THR 56 HG22 0.0170 0.0128 -0.0379 418 THR 56 HG23 0.0141 0.0063 -0.0367 419 ASN 57 N 0.0088 0.0054 -0.0234 420 ASN 57 CA 0.0064 0.0007 -0.0220 421 ASN 57 C 0.0058 0.0014 -0.0181 422 ASN 57 O 0.0046 -0.0013 -0.0183 423 ASN 57 CB 0.0045 -0.0022 -0.0199 424 ASN 57 CG 0.0041 -0.0050 -0.0242 425 ASN 57 OD1 0.0026 -0.0091 -0.0258 426 ASN 57 ND2 0.0056 -0.0028 -0.0259 427 ASN 57 H 0.0090 0.0063 -0.0221 428 ASN 57 HA 0.0062 -0.0012 -0.0255 429 ASN 57 HB2 0.0052 0.0003 -0.0177 430 ASN 57 HB3 0.0028 -0.0047 -0.0173 431 ASN 57 HD21 0.0068 0.0005 -0.0246 432 ASN 57 HD22 0.0053 -0.0046 -0.0287 433 LEU 58 N 0.0062 0.0050 -0.0146 434 LEU 58 CA 0.0056 0.0060 -0.0112 435 LEU 58 C 0.0069 0.0072 -0.0134 436 LEU 58 O 0.0058 0.0055 -0.0125 437 LEU 58 CB 0.0062 0.0095 -0.0073 438 LEU 58 CG 0.0061 0.0116 -0.0036 439 LEU 58 CD1 0.0083 0.0151 -0.0053 440 LEU 58 CD2 0.0039 0.0081 -0.0019 441 LEU 58 H 0.0071 0.0070 -0.0146 442 LEU 58 HA 0.0037 0.0031 -0.0097 443 LEU 58 HB2 0.0050 0.0081 -0.0056 444 LEU 58 HB3 0.0079 0.0121 -0.0091 445 LEU 58 HG 0.0060 0.0132 -0.0007 446 LEU 58 HD11 0.0082 0.0165 -0.0026 447 LEU 58 HD12 0.0085 0.0138 -0.0083 448 LEU 58 HD13 0.0098 0.0176 -0.0063 449 LEU 58 HD21 0.0040 0.0066 -0.0046 450 LEU 58 HD22 0.0039 0.0097 0.0009 451 LEU 58 HD23 0.0024 0.0057 -0.0005 452 LYS 59 N 0.0090 0.0108 -0.0171 453 LYS 59 CA 0.0098 0.0112 -0.0184 454 LYS 59 C 0.0101 0.0067 -0.0207 455 LYS 59 O 0.0096 0.0055 -0.0202 456 LYS 59 CB 0.0120 0.0154 -0.0209 457 LYS 59 CG 0.0142 0.0152 -0.0249 458 LYS 59 CD 0.0162 0.0196 -0.0270 459 LYS 59 CE 0.0171 0.0204 -0.0282 460 LYS 59 NZ 0.0181 0.0168 -0.0314 461 LYS 59 H 0.0099 0.0128 -0.0180 462 LYS 59 HA 0.0083 0.0117 -0.0155 463 LYS 59 HB2 0.0124 0.0157 -0.0215 464 LYS 59 HB3 0.0116 0.0184 -0.0190 465 LYS 59 HG2 0.0138 0.0147 -0.0243 466 LYS 59 HG3 0.0147 0.0123 -0.0269 467 LYS 59 HD2 0.0156 0.0225 -0.0248 468 LYS 59 HD3 0.0177 0.0195 -0.0296 469 LYS 59 HE2 0.0156 0.0204 -0.0256 470 LYS 59 HE3 0.0184 0.0237 -0.0294 471 LYS 59 HZ1 0.0196 0.0169 -0.0341 472 LYS 59 HZ2 0.0186 0.0174 -0.0322 473 LYS 59 HZ3 0.0169 0.0135 -0.0305 474 THR 60 N 0.0096 0.0046 -0.0232 475 THR 60 CA 0.0095 0.0006 -0.0254 476 THR 60 C 0.0080 -0.0026 -0.0218 477 THR 60 O 0.0077 -0.0050 -0.0224 478 THR 60 CB 0.0100 -0.0019 -0.0287 479 THR 60 OG1 0.0115 0.0011 -0.0320 480 THR 60 CG2 0.0100 -0.0061 -0.0310 481 THR 60 H 0.0098 0.0051 -0.0237 482 THR 60 HA 0.0102 0.0018 -0.0272 483 THR 60 HB 0.0093 -0.0030 -0.0267 484 THR 60 HG1 0.0115 0.0033 -0.0307 485 THR 60 HG21 0.0103 -0.0078 -0.0332 486 THR 60 HG22 0.0107 -0.0050 -0.0328 487 THR 60 HG23 0.0089 -0.0084 -0.0285 488 HIS 61 N 0.0059 -0.0015 -0.0181 489 HIS 61 CA 0.0040 -0.0035 -0.0155 490 HIS 61 C 0.0040 -0.0027 -0.0147 491 HIS 61 O 0.0027 -0.0049 -0.0138 492 HIS 61 CB 0.0028 -0.0031 -0.0120 493 HIS 61 CG 0.0011 -0.0040 -0.0088 494 HIS 61 ND1 -0.0006 -0.0074 -0.0083 495 HIS 61 CD2 0.0009 -0.0019 -0.0059 496 HIS 61 CE1 -0.0017 -0.0073 -0.0053 497 HIS 61 NE2 -0.0008 -0.0040 -0.0038 498 HIS 61 H 0.0064 0.0002 -0.0173 499 HIS 61 HA 0.0033 -0.0062 -0.0168 500 HIS 61 HB2 0.0022 -0.0048 -0.0125 501 HIS 61 HB3 0.0038 -0.0004 -0.0114 502 HIS 61 HD1 -0.0010 -0.0096 -0.0099 503 HIS 61 HD2 0.0020 0.0009 -0.0053 504 HIS 61 HE1 -0.0032 -0.0092 -0.0039 505 PHE 62 N 0.0060 0.0007 -0.0138 506 PHE 62 CA 0.0057 0.0016 -0.0124 507 PHE 62 C 0.0063 0.0006 -0.0148 508 PHE 62 O 0.0063 0.0013 -0.0142 509 PHE 62 CB 0.0061 0.0052 -0.0113 510 PHE 62 CG 0.0057 0.0066 -0.0092 511 PHE 62 CD1 0.0043 0.0052 -0.0064 512 PHE 62 CD2 0.0066 0.0093 -0.0100 513 PHE 62 CE1 0.0039 0.0065 -0.0045 514 PHE 62 CE2 0.0063 0.0106 -0.0082 515 PHE 62 CZ 0.0049 0.0092 -0.0054 516 PHE 62 H 0.0067 0.0023 -0.0149 517 PHE 62 HA 0.0046 0.0001 -0.0104 518 PHE 62 HB2 0.0072 0.0067 -0.0133 519 PHE 62 HB3 0.0056 0.0053 -0.0098 520 PHE 62 HD1 0.0036 0.0030 -0.0057 521 PHE 62 HD2 0.0077 0.0104 -0.0122 522 PHE 62 HE1 0.0029 0.0053 -0.0023 523 PHE 62 HE2 0.0070 0.0128 -0.0089 524 PHE 62 HZ 0.0047 0.0103 -0.0040 525 ARG 63 N 0.0074 -0.0007 -0.0127 526 ARG 63 CA 0.0081 -0.0019 -0.0147 527 ARG 63 C 0.0078 -0.0059 -0.0119 528 ARG 63 O 0.0084 -0.0076 -0.0132 529 ARG 63 CB 0.0096 -0.0031 -0.0198 530 ARG 63 CG 0.0099 0.0012 -0.0228 531 ARG 63 CD 0.0115 -0.0001 -0.0278 532 ARG 63 NE 0.0122 -0.0020 -0.0296 533 ARG 63 CZ 0.0136 -0.0028 -0.0340 534 ARG 63 NH1 0.0143 -0.0014 -0.0372 535 ARG 63 NH2 0.0141 -0.0048 -0.0353 536 ARG 63 H 0.0079 -0.0017 -0.0142 537 ARG 63 HA 0.0076 0.0012 -0.0144 538 ARG 63 HB2 0.0101 -0.0058 -0.0201 539 ARG 63 HB3 0.0101 -0.0043 -0.0210 540 ARG 63 HG2 0.0095 0.0039 -0.0225 541 ARG 63 HG3 0.0094 0.0025 -0.0216 542 ARG 63 HD2 0.0117 0.0031 -0.0298 543 ARG 63 HD3 0.0119 -0.0027 -0.0281 544 ARG 63 HE 0.0117 -0.0030 -0.0273 545 ARG 63 HH11 0.0139 0.0002 -0.0364 546 ARG 63 HH12 0.0153 -0.0019 -0.0406 547 ARG 63 HH21 0.0136 -0.0057 -0.0329 548 ARG 63 HH22 0.0151 -0.0054 -0.0385 549 SER 64 N 0.0049 -0.0027 -0.0130 550 SER 64 CA 0.0047 -0.0040 -0.0116 551 SER 64 C 0.0045 -0.0026 -0.0103 552 SER 64 O 0.0043 -0.0016 -0.0089 553 SER 64 CB 0.0045 -0.0053 -0.0103 554 SER 64 OG 0.0047 -0.0063 -0.0114 555 SER 64 H 0.0048 -0.0024 -0.0125 556 SER 64 HA 0.0049 -0.0051 -0.0126 557 SER 64 HB2 0.0043 -0.0043 -0.0091 558 SER 64 HB3 0.0044 -0.0065 -0.0095 559 SER 64 HG 0.0048 -0.0074 -0.0122 560 LYS 65 N 0.0048 -0.0003 -0.0073 561 LYS 65 CA 0.0045 -0.0002 -0.0069 562 LYS 65 C 0.0044 -0.0003 -0.0066 563 LYS 65 O 0.0041 -0.0000 -0.0064 564 LYS 65 CB 0.0045 -0.0002 -0.0068 565 LYS 65 CG 0.0048 -0.0006 -0.0066 566 LYS 65 CD 0.0048 -0.0008 -0.0062 567 LYS 65 CE 0.0051 -0.0012 -0.0061 568 LYS 65 NZ 0.0052 -0.0014 -0.0057 569 LYS 65 H 0.0050 -0.0005 -0.0073 570 LYS 65 HA 0.0043 0.0001 -0.0071 571 LYS 65 HB2 0.0042 -0.0001 -0.0065 572 LYS 65 HB3 0.0044 -0.0001 -0.0070 573 LYS 65 HG2 0.0047 -0.0006 -0.0066 574 LYS 65 HG3 0.0050 -0.0007 -0.0069 575 LYS 65 HD2 0.0049 -0.0008 -0.0063 576 LYS 65 HD3 0.0046 -0.0007 -0.0060 577 LYS 65 HE2 0.0051 -0.0012 -0.0060 578 LYS 65 HE3 0.0053 -0.0013 -0.0064 579 LYS 65 HZ1 0.0050 -0.0013 -0.0055 580 LYS 65 HZ2 0.0053 -0.0014 -0.0058 581 LYS 65 HZ3 0.0054 -0.0016 -0.0057 582 ASP 66 N 0.0042 -0.0010 -0.0075 583 ASP 66 CA 0.0040 -0.0011 -0.0070 584 ASP 66 C 0.0039 -0.0009 -0.0070 585 ASP 66 O 0.0037 -0.0008 -0.0066 586 ASP 66 CB 0.0043 -0.0016 -0.0069 587 ASP 66 CG 0.0042 -0.0018 -0.0064 588 ASP 66 OD1 0.0042 -0.0020 -0.0061 589 ASP 66 OD2 0.0042 -0.0018 -0.0063 590 ASP 66 H 0.0044 -0.0012 -0.0077 591 ASP 66 HA 0.0039 -0.0010 -0.0067 592 ASP 66 HB2 0.0044 -0.0018 -0.0070 593 ASP 66 HB3 0.0044 -0.0017 -0.0072 594 HIS 67 N 0.0018 -0.0021 -0.0085 595 HIS 67 CA 0.0018 -0.0016 -0.0071 596 HIS 67 C 0.0027 -0.0003 -0.0067 597 HIS 67 O 0.0026 -0.0001 -0.0055 598 HIS 67 CB 0.0019 -0.0015 -0.0072 599 HIS 67 CG 0.0018 -0.0011 -0.0058 600 HIS 67 ND1 0.0013 -0.0014 -0.0045 601 HIS 67 CD2 0.0020 -0.0009 -0.0057 602 HIS 67 CE1 0.0012 -0.0013 -0.0036 603 HIS 67 NE2 0.0015 -0.0010 -0.0043 604 HIS 67 H 0.0018 -0.0023 -0.0093 605 HIS 67 HA 0.0012 -0.0021 -0.0063 606 HIS 67 HB2 0.0013 -0.0024 -0.0074 607 HIS 67 HB3 0.0025 -0.0010 -0.0079 608 HIS 67 HD1 0.0011 -0.0016 -0.0043 609 HIS 67 HD2 0.0025 -0.0005 -0.0065 610 HIS 67 HE1 0.0008 -0.0014 -0.0025 611 LYS 68 N 0.0041 0.0013 -0.0067 612 LYS 68 CA 0.0035 0.0019 -0.0067 613 LYS 68 C 0.0031 0.0018 -0.0059 614 LYS 68 O 0.0026 0.0022 -0.0056 615 LYS 68 CB 0.0036 0.0022 -0.0072 616 LYS 68 CG 0.0040 0.0022 -0.0080 617 LYS 68 CD 0.0041 0.0025 -0.0085 618 LYS 68 CE 0.0043 0.0021 -0.0082 619 LYS 68 NZ 0.0044 0.0023 -0.0087 620 LYS 68 H 0.0045 0.0011 -0.0070 621 LYS 68 HA 0.0033 0.0022 -0.0069 622 LYS 68 HB2 0.0037 0.0019 -0.0070 623 LYS 68 HB3 0.0031 0.0026 -0.0072 624 LYS 68 HG2 0.0039 0.0025 -0.0082 625 LYS 68 HG3 0.0045 0.0018 -0.0080 626 LYS 68 HD2 0.0036 0.0029 -0.0085 627 LYS 68 HD3 0.0044 0.0025 -0.0091 628 LYS 68 HE2 0.0048 0.0016 -0.0082 629 LYS 68 HE3 0.0040 0.0020 -0.0077 630 LYS 68 HZ1 0.0040 0.0027 -0.0087 631 LYS 68 HZ2 0.0046 0.0020 -0.0085 632 LYS 68 HZ3 0.0047 0.0023 -0.0092 633 LYS 69 N 0.0035 0.0011 -0.0067 634 LYS 69 CA 0.0036 0.0012 -0.0062 635 LYS 69 C 0.0036 0.0010 -0.0056 636 LYS 69 O 0.0036 0.0013 -0.0051 637 LYS 69 CB 0.0036 0.0007 -0.0063 638 LYS 69 CG 0.0037 0.0006 -0.0058 639 LYS 69 CD 0.0038 0.0001 -0.0060 640 LYS 69 CE 0.0038 -0.0001 -0.0055 641 LYS 69 NZ 0.0039 -0.0006 -0.0058 642 LYS 69 H 0.0036 0.0008 -0.0070 643 LYS 69 HA 0.0035 0.0016 -0.0061 644 LYS 69 HB2 0.0036 0.0009 -0.0066 645 LYS 69 HB3 0.0037 0.0003 -0.0065 646 LYS 69 HG2 0.0037 0.0004 -0.0054 647 LYS 69 HG3 0.0036 0.0010 -0.0056 648 LYS 69 HD2 0.0037 0.0003 -0.0063 649 LYS 69 HD3 0.0038 -0.0003 -0.0062 650 LYS 69 HE2 0.0039 -0.0003 -0.0051 651 LYS 69 HE3 0.0038 0.0002 -0.0054 652 LYS 69 HZ1 0.0039 -0.0008 -0.0055 653 LYS 69 HZ2 0.0039 -0.0010 -0.0060 654 LYS 69 HZ3 0.0038 -0.0005 -0.0062 655 ARG 70 N 0.0033 0.0009 -0.0057 656 ARG 70 CA 0.0035 0.0007 -0.0054 657 ARG 70 C 0.0038 0.0007 -0.0051 658 ARG 70 O 0.0041 0.0007 -0.0048 659 ARG 70 CB 0.0033 0.0002 -0.0053 660 ARG 70 CG 0.0036 -0.0000 -0.0049 661 ARG 70 CD 0.0038 0.0003 -0.0049 662 ARG 70 NE 0.0041 0.0000 -0.0045 663 ARG 70 CZ 0.0044 0.0003 -0.0043 664 ARG 70 NH1 0.0045 0.0007 -0.0045 665 ARG 70 NH2 0.0046 0.0001 -0.0040 666 ARG 70 H 0.0030 0.0007 -0.0059 667 ARG 70 HA 0.0037 0.0009 -0.0053 668 ARG 70 HB2 0.0031 0.0002 -0.0055 669 ARG 70 HB3 0.0032 0.0000 -0.0053 670 ARG 70 HG2 0.0034 -0.0003 -0.0049 671 ARG 70 HG3 0.0038 -0.0001 -0.0047 672 ARG 70 HD2 0.0040 0.0006 -0.0049 673 ARG 70 HD3 0.0036 0.0003 -0.0050 674 ARG 70 HE 0.0040 -0.0003 -0.0044 675 ARG 70 HH11 0.0044 0.0009 -0.0047 676 ARG 70 HH12 0.0048 0.0009 -0.0044 677 ARG 70 HH21 0.0046 -0.0003 -0.0039 678 ARG 70 HH22 0.0049 0.0002 -0.0039 679 LEU 71 N 0.0035 0.0008 -0.0058 680 LEU 71 CA 0.0038 0.0012 -0.0053 681 LEU 71 C 0.0043 0.0016 -0.0054 682 LEU 71 O 0.0045 0.0018 -0.0049 683 LEU 71 CB 0.0041 0.0014 -0.0054 684 LEU 71 CG 0.0037 0.0011 -0.0054 685 LEU 71 CD1 0.0040 0.0013 -0.0055 686 LEU 71 CD2 0.0033 0.0009 -0.0047 687 LEU 71 H 0.0034 0.0007 -0.0061 688 LEU 71 HA 0.0036 0.0012 -0.0048 689 LEU 71 HB2 0.0043 0.0015 -0.0059 690 LEU 71 HB3 0.0044 0.0017 -0.0051 691 LEU 71 HG 0.0034 0.0008 -0.0058 692 LEU 71 HD11 0.0042 0.0016 -0.0051 693 LEU 71 HD12 0.0042 0.0014 -0.0060 694 LEU 71 HD13 0.0037 0.0011 -0.0055 695 LEU 71 HD21 0.0031 0.0007 -0.0047 696 LEU 71 HD22 0.0036 0.0012 -0.0043 697 LEU 71 HD23 0.0031 0.0007 -0.0047 698 LYS 72 N 0.0041 0.0014 -0.0059 699 LYS 72 CA 0.0039 0.0023 -0.0054 700 LYS 72 C 0.0051 0.0026 -0.0049 701 LYS 72 O 0.0053 0.0028 -0.0047 702 LYS 72 CB 0.0031 0.0033 -0.0051 703 LYS 72 CG 0.0028 0.0042 -0.0046 704 LYS 72 CD 0.0020 0.0052 -0.0043 705 LYS 72 CE 0.0017 0.0061 -0.0038 706 LYS 72 NZ 0.0009 0.0070 -0.0036 707 LYS 72 H 0.0037 0.0015 -0.0059 708 LYS 72 HA 0.0034 0.0020 -0.0057 709 LYS 72 HB2 0.0023 0.0030 -0.0055 710 LYS 72 HB3 0.0035 0.0035 -0.0048 711 LYS 72 HG2 0.0037 0.0045 -0.0042 712 LYS 72 HG3 0.0024 0.0040 -0.0049 713 LYS 72 HD2 0.0012 0.0049 -0.0048 714 LYS 72 HD3 0.0024 0.0054 -0.0041 715 LYS 72 HE2 0.0025 0.0064 -0.0034 716 LYS 72 HE3 0.0013 0.0059 -0.0041 717 LYS 72 HZ1 0.0012 0.0073 -0.0033 718 LYS 72 HZ2 0.0000 0.0067 -0.0040 719 LYS 72 HZ3 0.0007 0.0076 -0.0033 720 GLN 73 N 0.0044 0.0021 -0.0047 721 GLN 73 CA 0.0047 0.0021 -0.0043 722 GLN 73 C 0.0048 0.0019 -0.0040 723 GLN 73 O 0.0050 0.0020 -0.0036 724 GLN 73 CB 0.0047 0.0017 -0.0042 725 GLN 73 CG 0.0046 0.0019 -0.0045 726 GLN 73 CD 0.0046 0.0015 -0.0045 727 GLN 73 OE1 0.0047 0.0011 -0.0044 728 GLN 73 NE2 0.0046 0.0017 -0.0044 729 GLN 73 H 0.0043 0.0019 -0.0050 730 GLN 73 HA 0.0047 0.0024 -0.0041 731 GLN 73 HB2 0.0047 0.0014 -0.0044 732 GLN 73 HB3 0.0049 0.0017 -0.0039 733 GLN 73 HG2 0.0046 0.0022 -0.0043 734 GLN 73 HG3 0.0044 0.0019 -0.0048 735 GLN 73 HE21 0.0046 0.0021 -0.0045 736 GLN 73 HE22 0.0047 0.0015 -0.0044 737 LEU 74 N 0.0048 0.0013 -0.0051 738 LEU 74 CA 0.0049 0.0011 -0.0048 739 LEU 74 C 0.0053 0.0009 -0.0047 740 LEU 74 O 0.0055 0.0007 -0.0045 741 LEU 74 CB 0.0045 0.0010 -0.0046 742 LEU 74 CG 0.0046 0.0008 -0.0043 743 LEU 74 CD1 0.0047 0.0009 -0.0045 744 LEU 74 CD2 0.0042 0.0007 -0.0041 745 LEU 74 H 0.0045 0.0013 -0.0050 746 LEU 74 HA 0.0050 0.0012 -0.0050 747 LEU 74 HB2 0.0043 0.0011 -0.0047 748 LEU 74 HB3 0.0045 0.0009 -0.0044 749 LEU 74 HG 0.0048 0.0006 -0.0042 750 LEU 74 HD11 0.0048 0.0007 -0.0043 751 LEU 74 HD12 0.0045 0.0011 -0.0046 752 LEU 74 HD13 0.0050 0.0009 -0.0047 753 LEU 74 HD21 0.0040 0.0009 -0.0042 754 LEU 74 HD22 0.0043 0.0006 -0.0039 755 LEU 74 HD23 0.0041 0.0006 -0.0039 756 SER 75 N 0.0055 0.0011 -0.0048 757 SER 75 CA 0.0056 0.0009 -0.0048 758 SER 75 C 0.0053 0.0002 -0.0047 759 SER 75 O 0.0054 -0.0002 -0.0047 760 SER 75 CB 0.0063 0.0009 -0.0048 761 SER 75 OG 0.0064 0.0007 -0.0048 762 SER 75 H 0.0051 0.0014 -0.0049 763 SER 75 HA 0.0053 0.0012 -0.0049 764 SER 75 HB2 0.0065 0.0014 -0.0049 765 SER 75 HB3 0.0066 0.0006 -0.0047 766 SER 75 HG 0.0067 0.0010 -0.0048 767 VAL 76 N 0.0057 -0.0002 -0.0043 768 VAL 76 CA 0.0056 -0.0003 -0.0035 769 VAL 76 C 0.0061 -0.0005 -0.0032 770 VAL 76 O 0.0065 -0.0008 -0.0027 771 VAL 76 CB 0.0049 0.0000 -0.0033 772 VAL 76 CG1 0.0048 -0.0001 -0.0024 773 VAL 76 CG2 0.0044 0.0003 -0.0035 774 VAL 76 H 0.0054 0.0000 -0.0046 775 VAL 76 HA 0.0057 -0.0003 -0.0032 776 VAL 76 HB 0.0048 0.0001 -0.0035 777 VAL 76 HG11 0.0042 0.0001 -0.0023 778 VAL 76 HG12 0.0048 -0.0002 -0.0022 779 VAL 76 HG13 0.0051 -0.0003 -0.0023 780 VAL 76 HG21 0.0039 0.0005 -0.0034 781 VAL 76 HG22 0.0044 0.0003 -0.0041 782 VAL 76 HG23 0.0044 0.0002 -0.0033 783 GLU 77 N 0.0027 0.0017 -0.0064 784 GLU 77 CA 0.0028 0.0016 -0.0064 785 GLU 77 C 0.0029 0.0012 -0.0062 786 GLU 77 O 0.0031 0.0011 -0.0061 787 GLU 77 CB 0.0032 0.0018 -0.0064 788 GLU 77 CG 0.0035 0.0018 -0.0063 789 GLU 77 CD 0.0039 0.0020 -0.0063 790 GLU 77 OE1 0.0039 0.0023 -0.0065 791 GLU 77 OE2 0.0041 0.0018 -0.0062 792 GLU 77 H 0.0028 0.0015 -0.0064 793 GLU 77 HA 0.0026 0.0017 -0.0065 794 GLU 77 HB2 0.0033 0.0017 -0.0064 795 GLU 77 HB3 0.0032 0.0021 -0.0065 796 GLU 77 HG2 0.0034 0.0019 -0.0064 797 GLU 77 HG3 0.0036 0.0015 -0.0062 798 PRO 78 N 0.0017 0.0000 -0.0062 799 PRO 78 CA 0.0013 0.0011 -0.0059 800 PRO 78 C 0.0001 0.0012 -0.0062 801 PRO 78 O -0.0004 0.0006 -0.0065 802 PRO 78 CB 0.0018 0.0014 -0.0056 803 PRO 78 CG 0.0027 0.0006 -0.0057 804 PRO 78 CD 0.0024 -0.0004 -0.0062 805 PRO 78 HA 0.0016 0.0016 -0.0056 806 PRO 78 HB2 0.0012 0.0015 -0.0058 807 PRO 78 HB3 0.0021 0.0022 -0.0052 808 PRO 78 HG2 0.0028 0.0005 -0.0057 809 PRO 78 HG3 0.0034 0.0008 -0.0054 810 PRO 78 HD2 0.0019 -0.0008 -0.0064 811 PRO 78 HD3 0.0031 -0.0009 -0.0061 812 TYR 79 N -0.0014 0.0014 -0.0070 813 TYR 79 CA -0.0035 0.0014 -0.0066 814 TYR 79 C -0.0035 0.0002 -0.0078 815 TYR 79 O -0.0041 -0.0012 -0.0091 816 TYR 79 CB -0.0055 0.0010 -0.0066 817 TYR 79 CG -0.0057 0.0023 -0.0053 818 TYR 79 CD1 -0.0047 0.0022 -0.0056 819 TYR 79 CD2 -0.0068 0.0036 -0.0038 820 TYR 79 CE1 -0.0048 0.0034 -0.0044 821 TYR 79 CE2 -0.0069 0.0048 -0.0026 822 TYR 79 CZ -0.0059 0.0047 -0.0029 823 TYR 79 OH -0.0060 0.0059 -0.0017 824 TYR 79 H -0.0003 0.0024 -0.0062 825 TYR 79 HA -0.0034 0.0026 -0.0055 826 TYR 79 HB2 -0.0055 -0.0001 -0.0078 827 TYR 79 HB3 -0.0070 0.0010 -0.0064 828 TYR 79 HD1 -0.0038 0.0012 -0.0067 829 TYR 79 HD2 -0.0076 0.0037 -0.0036 830 TYR 79 HE1 -0.0040 0.0033 -0.0046 831 TYR 79 HE2 -0.0078 0.0058 -0.0015 832 TYR 79 HH -0.0057 0.0069 -0.0008 833 SER 80 N -0.0029 0.0028 -0.0086 834 SER 80 CA -0.0020 0.0024 -0.0097 835 SER 80 C -0.0028 0.0025 -0.0094 836 SER 80 O -0.0042 0.0027 -0.0085 837 SER 80 CB -0.0000 0.0026 -0.0094 838 SER 80 OG 0.0010 0.0022 -0.0105 839 SER 80 H -0.0025 0.0032 -0.0074 840 SER 80 HA -0.0023 0.0019 -0.0110 841 SER 80 HB2 0.0005 0.0026 -0.0095 842 SER 80 HB3 0.0002 0.0031 -0.0081 843 SER 80 HG 0.0011 0.0019 -0.0115 844 GLN 81 N -0.0036 0.0064 -0.0119 845 GLN 81 CA -0.0008 0.0063 -0.0121 846 GLN 81 C 0.0008 0.0034 -0.0088 847 GLN 81 O 0.0010 0.0019 -0.0068 848 GLN 81 CB 0.0028 0.0078 -0.0146 849 GLN 81 CG 0.0055 0.0080 -0.0153 850 GLN 81 CD 0.0093 0.0093 -0.0175 851 GLN 81 OE1 0.0110 0.0091 -0.0175 852 GLN 81 NE2 0.0106 0.0106 -0.0193 853 GLN 81 H -0.0029 0.0070 -0.0128 854 GLN 81 HA -0.0024 0.0070 -0.0129 855 GLN 81 HB2 0.0017 0.0097 -0.0168 856 GLN 81 HB3 0.0047 0.0068 -0.0136 857 GLN 81 HG2 0.0065 0.0061 -0.0130 858 GLN 81 HG3 0.0037 0.0091 -0.0164 859 GLN 81 HE21 0.0091 0.0107 -0.0192 860 GLN 81 HE22 0.0131 0.0114 -0.0208 861 GLU 82 N -0.0020 0.0042 -0.0045 862 GLU 82 CA -0.0014 0.0032 -0.0022 863 GLU 82 C -0.0033 0.0015 -0.0015 864 GLU 82 O -0.0031 0.0005 0.0004 865 GLU 82 CB 0.0005 0.0041 -0.0015 866 GLU 82 CG 0.0013 0.0033 0.0008 867 GLU 82 CD 0.0032 0.0043 0.0012 868 GLU 82 OE1 0.0030 0.0044 0.0008 869 GLU 82 OE2 0.0050 0.0049 0.0021 870 GLU 82 H -0.0022 0.0043 -0.0049 871 GLU 82 HA -0.0009 0.0031 -0.0014 872 GLU 82 HB2 0.0018 0.0053 -0.0020 873 GLU 82 HB3 0.0001 0.0044 -0.0025 874 GLU 82 HG2 0.0001 0.0021 0.0013 875 GLU 82 HG3 0.0018 0.0030 0.0017 876 GLU 83 N -0.0085 0.0017 -0.0012 877 GLU 83 CA -0.0107 0.0008 -0.0001 878 GLU 83 C -0.0148 -0.0025 -0.0023 879 GLU 83 O -0.0185 -0.0035 0.0002 880 GLU 83 CB -0.0076 0.0019 -0.0017 881 GLU 83 CG -0.0096 0.0011 -0.0008 882 GLU 83 CD -0.0063 0.0025 -0.0020 883 GLU 83 OE1 -0.0049 0.0015 -0.0061 884 GLU 83 OE2 -0.0049 0.0047 0.0012 885 GLU 83 H -0.0077 0.0007 -0.0044 886 GLU 83 HA -0.0118 0.0019 0.0036 887 GLU 83 HB2 -0.0048 0.0042 0.0000 888 GLU 83 HB3 -0.0063 0.0010 -0.0054 889 GLU 83 HG2 -0.0121 -0.0012 -0.0029 890 GLU 83 HG3 -0.0112 0.0019 0.0028 891 ALA 84 N -0.0177 -0.0017 -0.0047 892 ALA 84 CA -0.0232 -0.0039 -0.0084 893 ALA 84 C -0.0244 -0.0054 -0.0122 894 ALA 84 O -0.0275 -0.0076 -0.0167 895 ALA 84 CB -0.0220 -0.0051 -0.0123 896 ALA 84 H -0.0135 -0.0017 -0.0066 897 ALA 84 HA -0.0272 -0.0033 -0.0054 898 ALA 84 HB1 -0.0260 -0.0067 -0.0150 899 ALA 84 HB2 -0.0178 -0.0055 -0.0151 900 ALA 84 HB3 -0.0216 -0.0040 -0.0094 901 GLU 85 N -0.0207 -0.0038 -0.0098 902 GLU 85 CA -0.0167 -0.0016 -0.0108 903 GLU 85 C -0.0106 -0.0015 -0.0039 904 GLU 85 O -0.0051 0.0011 -0.0038 905 GLU 85 CB -0.0136 0.0029 -0.0183 906 GLU 85 CG -0.0105 0.0053 -0.0206 907 GLU 85 CD -0.0031 0.0069 -0.0161 908 GLU 85 OE1 0.0028 0.0105 -0.0180 909 GLU 85 OE2 -0.0031 0.0048 -0.0106 910 GLU 85 H -0.0186 -0.0045 -0.0057 911 GLU 85 HA -0.0203 -0.0033 -0.0106 912 GLU 85 HB2 -0.0180 0.0026 -0.0227 913 GLU 85 HB3 -0.0093 0.0047 -0.0177 914 GLU 85 HG2 -0.0146 0.0027 -0.0191 915 GLU 85 HG3 -0.0104 0.0077 -0.0267 916 ARG 86 N -0.0147 -0.0031 0.0000 917 ARG 86 CA -0.0056 -0.0044 0.0121 918 ARG 86 C -0.0014 -0.0042 0.0152 919 ARG 86 O -0.0091 -0.0054 0.0120 920 ARG 86 CB -0.0112 -0.0103 0.0244 921 ARG 86 CG -0.0265 -0.0155 0.0261 922 ARG 86 CD -0.0301 -0.0175 0.0290 923 ARG 86 NE -0.0449 -0.0221 0.0293 924 ARG 86 CZ -0.0516 -0.0240 0.0290 925 ARG 86 NH1 -0.0449 -0.0220 0.0291 926 ARG 86 NH2 -0.0651 -0.0280 0.0287 927 ARG 86 H -0.0233 -0.0053 -0.0010 928 ARG 86 HA 0.0036 -0.0010 0.0102 929 ARG 86 HB2 -0.0055 -0.0116 0.0335 930 ARG 86 HB3 -0.0096 -0.0095 0.0235 931 ARG 86 HG2 -0.0293 -0.0191 0.0345 932 ARG 86 HG3 -0.0324 -0.0142 0.0170 933 ARG 86 HD2 -0.0266 -0.0139 0.0213 934 ARG 86 HD3 -0.0251 -0.0193 0.0387 935 ARG 86 HE -0.0501 -0.0237 0.0295 936 ARG 86 HH11 -0.0347 -0.0191 0.0294 937 ARG 86 HH12 -0.0498 -0.0235 0.0290 938 ARG 86 HH21 -0.0705 -0.0296 0.0286 939 ARG 86 HH22 -0.0705 -0.0295 0.0284 940 ALA 87 N 0.0114 -0.0070 0.0231 941 ALA 87 CA 0.0213 -0.0066 0.0273 942 ALA 87 C 0.0225 -0.0162 0.0387 943 ALA 87 O 0.0328 -0.0174 0.0449 944 ALA 87 CB 0.0335 0.0004 0.0254 945 ALA 87 H 0.0134 -0.0071 0.0242 946 ALA 87 HA 0.0188 -0.0045 0.0238 947 ALA 87 HB1 0.0358 -0.0017 0.0287 948 ALA 87 HB2 0.0325 0.0071 0.0173 949 ALA 87 HB3 0.0409 0.0005 0.0287 950 ALA 88 N 0.0135 -0.0201 0.0455 951 ALA 88 CA 0.0115 -0.0300 0.0603 952 ALA 88 C -0.0025 -0.0335 0.0617 953 ALA 88 O -0.0172 -0.0368 0.0626 954 ALA 88 CB 0.0084 -0.0353 0.0676 955 ALA 88 H 0.0034 -0.0179 0.0390 956 ALA 88 HA 0.0231 -0.0311 0.0653 957 ALA 88 HB1 -0.0032 -0.0343 0.0628 958 ALA 88 HB2 0.0186 -0.0326 0.0664 959 ALA 88 HB3 0.0074 -0.0427 0.0789 960 GLY 89 N 0.0061 -0.0379 0.0725 961 GLY 89 CA -0.0137 -0.0381 0.0736 962 GLY 89 C 0.0041 -0.0373 0.0718 963 GLY 89 O 0.0240 -0.0483 0.0873 964 GLY 89 H 0.0269 -0.0340 0.0659 965 GLY 89 HA2 -0.0261 -0.0496 0.0913 966 GLY 89 HA3 -0.0294 -0.0273 0.0583 967 MET 90 N -0.0095 -0.0218 0.0564 968 MET 90 CA 0.0060 -0.0166 0.0355 969 MET 90 C -0.0036 -0.0262 0.0602 970 MET 90 O 0.0181 -0.0467 0.0828 971 MET 90 CB 0.0516 -0.0257 0.0195 972 MET 90 CG 0.0699 -0.0172 -0.0096 973 MET 90 SD 0.0677 -0.0258 0.0079 974 MET 90 CE 0.0947 -0.0147 -0.0322 975 MET 90 H -0.0300 -0.0085 0.0464 976 MET 90 HA -0.0102 0.0022 0.0122 977 MET 90 HB2 0.0570 -0.0205 0.0059 978 MET 90 HB3 0.0675 -0.0446 0.0430 979 MET 90 HG2 0.0540 0.0017 -0.0332 980 MET 90 HG3 0.1008 -0.0237 -0.0198 981 MET 90 HE1 0.0796 0.0040 -0.0560 982 MET 90 HE2 0.0961 -0.0187 -0.0257 983 MET 90 HE3 0.1246 -0.0226 -0.0390 984 GLY 91 N -0.0347 -0.0141 0.0588 985 GLY 91 CA -0.0455 -0.0178 0.0754 986 GLY 91 C -0.0483 0.0025 0.0446 987 GLY 91 O -0.0798 0.0220 0.0428 988 GLY 91 H -0.0514 0.0043 0.0445 989 GLY 91 HA2 -0.0239 -0.0390 0.0894 990 GLY 91 HA3 -0.0735 -0.0141 0.0961 991 SER 92 N -0.0161 0.0024 0.0235 992 SER 92 CA -0.0162 0.0169 -0.0027 993 SER 92 C 0.0021 0.0048 0.0012 994 SER 92 O 0.0315 -0.0113 0.0015 995 SER 92 CB -0.0014 0.0265 -0.0349 996 SER 92 OG -0.0192 0.0377 -0.0377 997 SER 92 H 0.0050 -0.0103 0.0259 998 SER 92 HA -0.0414 0.0303 -0.0023 999 SER 92 HB2 0.0237 0.0133 -0.0356 1000 SER 92 HB3 -0.0027 0.0382 -0.0549 1001 SER 92 HG -0.0331 0.0335 -0.0163 1002 TYR 93 N 0.0011 0.0042 0.0059 1003 TYR 93 CA -0.0023 0.0067 -0.0025 1004 TYR 93 C 0.0014 0.0047 0.0044 1005 TYR 93 O 0.0092 0.0023 0.0135 1006 TYR 93 CB 0.0055 0.0115 -0.0147 1007 TYR 93 CG 0.0016 0.0147 -0.0252 1008 TYR 93 CD1 -0.0084 0.0167 -0.0337 1009 TYR 93 CD2 0.0078 0.0158 -0.0266 1010 TYR 93 CE1 -0.0122 0.0196 -0.0433 1011 TYR 93 CE2 0.0040 0.0187 -0.0362 1012 TYR 93 CZ -0.0059 0.0206 -0.0445 1013 TYR 93 OH -0.0097 0.0235 -0.0540 1014 TYR 93 H 0.0105 0.0044 0.0079 1015 TYR 93 HA -0.0128 0.0065 -0.0047 1016 TYR 93 HB2 0.0043 0.0126 -0.0182 1017 TYR 93 HB3 0.0159 0.0117 -0.0124 1018 TYR 93 HD1 -0.0133 0.0159 -0.0327 1019 TYR 93 HD2 0.0156 0.0143 -0.0200 1020 TYR 93 HE1 -0.0200 0.0211 -0.0498 1021 TYR 93 HE2 0.0090 0.0195 -0.0372 1022 TYR 93 HH -0.0110 0.0221 -0.0502 1023 VAL 94 N -0.0042 0.0059 0.0070 1024 VAL 94 CA 0.0001 0.0006 0.0194 1025 VAL 94 C 0.0197 -0.0042 0.0172 1026 VAL 94 O 0.0257 -0.0015 0.0040 1027 VAL 94 CB -0.0122 0.0040 0.0196 1028 VAL 94 CG1 -0.0120 0.0097 0.0020 1029 VAL 94 CG2 -0.0076 -0.0018 0.0333 1030 VAL 94 H -0.0129 0.0110 -0.0012 1031 VAL 94 HA -0.0018 -0.0030 0.0318 1032 VAL 94 HB -0.0254 0.0066 0.0230 1033 VAL 94 HG11 -0.0206 0.0119 0.0029 1034 VAL 94 HG12 0.0012 0.0074 -0.0020 1035 VAL 94 HG13 -0.0163 0.0140 -0.0072 1036 VAL 94 HG21 0.0058 -0.0047 0.0307 1037 VAL 94 HG22 -0.0162 0.0006 0.0332 1038 VAL 94 HG23 -0.0092 -0.0056 0.0459