1 LYS 1 N 0.0194 0.0194 0.0065 2 LYS 1 CA 0.0177 0.0198 0.0059 3 LYS 1 C 0.0163 0.0198 0.0032 4 LYS 1 O 0.0174 0.0192 0.0014 5 LYS 1 CB 0.0194 0.0193 0.0058 6 LYS 1 CG 0.0184 0.0194 0.0046 7 LYS 1 CD 0.0205 0.0188 0.0047 8 LYS 1 CE 0.0194 0.0190 0.0034 9 LYS 1 NZ 0.0213 0.0185 0.0038 10 VAL 2 N 0.0148 0.0198 0.0000 11 VAL 2 CA 0.0141 0.0194 -0.0010 12 VAL 2 C 0.0145 0.0191 -0.0014 13 VAL 2 O 0.0143 0.0195 -0.0009 14 VAL 2 CB 0.0128 0.0198 -0.0010 15 VAL 2 CG1 0.0122 0.0194 -0.0021 16 VAL 2 CG2 0.0125 0.0201 -0.0006 17 PHE 3 N 0.0137 0.0126 -0.0057 18 PHE 3 CA 0.0132 0.0131 -0.0048 19 PHE 3 C 0.0123 0.0151 -0.0052 20 PHE 3 O 0.0125 0.0158 -0.0068 21 PHE 3 CB 0.0138 0.0123 -0.0054 22 PHE 3 CG 0.0144 0.0104 -0.0045 23 PHE 3 CD1 0.0153 0.0091 -0.0051 24 PHE 3 CD2 0.0142 0.0100 -0.0031 25 PHE 3 CE1 0.0159 0.0074 -0.0043 26 PHE 3 CE2 0.0147 0.0084 -0.0023 27 PHE 3 CZ 0.0156 0.0070 -0.0029 28 GLU 4 N 0.0132 0.0179 -0.0090 29 GLU 4 CA 0.0149 0.0140 -0.0080 30 GLU 4 C 0.0141 0.0118 -0.0061 31 GLU 4 O 0.0133 0.0134 -0.0066 32 GLU 4 CB 0.0190 0.0133 -0.0104 33 GLU 4 CG 0.0200 0.0153 -0.0122 34 GLU 4 CD 0.0238 0.0153 -0.0148 35 GLU 4 OE1 0.0261 0.0122 -0.0146 36 GLU 4 OE2 0.0246 0.0184 -0.0171 37 ARG 5 N 0.0088 0.0128 -0.0002 38 ARG 5 CA 0.0098 0.0127 -0.0027 39 ARG 5 C 0.0119 0.0132 -0.0049 40 ARG 5 O 0.0143 0.0141 -0.0056 41 ARG 5 CB 0.0074 0.0112 -0.0043 42 ARG 5 CG 0.0081 0.0109 -0.0070 43 ARG 5 CD 0.0054 0.0093 -0.0082 44 ARG 5 NE 0.0039 0.0083 -0.0095 45 ARG 5 CZ 0.0042 0.0078 -0.0124 46 ARG 5 NH1 0.0062 0.0083 -0.0143 47 ARG 5 NH2 0.0026 0.0068 -0.0134 48 CYS 6 N 0.0141 0.0145 -0.0040 49 CYS 6 CA 0.0133 0.0151 -0.0043 50 CYS 6 C 0.0128 0.0147 -0.0044 51 CYS 6 O 0.0123 0.0153 -0.0046 52 CYS 6 CB 0.0125 0.0152 -0.0045 53 CYS 6 SG 0.0129 0.0160 -0.0044 54 GLU 7 N 0.0143 0.0129 -0.0086 55 GLU 7 CA 0.0132 0.0108 -0.0087 56 GLU 7 C 0.0116 0.0078 -0.0102 57 GLU 7 O 0.0106 0.0054 -0.0089 58 GLU 7 CB 0.0136 0.0122 -0.0111 59 GLU 7 CG 0.0126 0.0103 -0.0115 60 GLU 7 CD 0.0129 0.0115 -0.0142 61 GLU 7 OE1 0.0135 0.0134 -0.0165 62 GLU 7 OE2 0.0124 0.0105 -0.0142 63 LEU 8 N 0.0144 0.0079 -0.0076 64 LEU 8 CA 0.0139 0.0080 -0.0073 65 LEU 8 C 0.0136 0.0083 -0.0067 66 LEU 8 O 0.0129 0.0084 -0.0066 67 LEU 8 CB 0.0143 0.0080 -0.0072 68 LEU 8 CG 0.0138 0.0081 -0.0070 69 LEU 8 CD1 0.0132 0.0081 -0.0075 70 LEU 8 CD2 0.0142 0.0081 -0.0068 71 ALA 9 N 0.0121 0.0136 -0.0068 72 ALA 9 CA 0.0101 0.0173 -0.0043 73 ALA 9 C 0.0050 0.0177 -0.0053 74 ALA 9 O 0.0025 0.0199 -0.0041 75 ALA 9 CB 0.0121 0.0191 -0.0024 76 ARG 10 N 0.0033 0.0181 0.0031 77 ARG 10 CA -0.0059 0.0158 0.0054 78 ARG 10 C -0.0108 0.0094 0.0014 79 ARG 10 O -0.0183 0.0085 0.0044 80 ARG 10 CB -0.0070 0.0148 0.0050 81 ARG 10 CG -0.0044 0.0213 0.0102 82 ARG 10 CD -0.0069 0.0195 0.0098 83 ARG 10 NE -0.0018 0.0159 0.0035 84 ARG 10 CZ 0.0060 0.0187 0.0024 85 ARG 10 NH1 0.0096 0.0254 0.0073 86 ARG 10 NH2 0.0102 0.0149 -0.0037 87 THR 11 N -0.0036 -0.0041 -0.0000 88 THR 11 CA -0.0030 -0.0137 -0.0021 89 THR 11 C 0.0004 -0.0111 -0.0031 90 THR 11 O -0.0040 -0.0150 -0.0018 91 THR 11 CB 0.0040 -0.0211 -0.0066 92 THR 11 OG1 -0.0001 -0.0240 -0.0053 93 THR 11 CG2 0.0050 -0.0310 -0.0089 94 LEU 12 N 0.0021 0.0034 -0.0031 95 LEU 12 CA 0.0040 0.0061 -0.0028 96 LEU 12 C 0.0007 0.0095 -0.0023 97 LEU 12 O 0.0005 0.0104 -0.0022 98 LEU 12 CB 0.0082 0.0085 -0.0027 99 LEU 12 CG 0.0122 0.0055 -0.0033 100 LEU 12 CD1 0.0160 0.0082 -0.0031 101 LEU 12 CD2 0.0134 0.0029 -0.0036 102 LYS 13 N -0.0135 0.0184 0.0026 103 LYS 13 CA -0.0216 0.0268 0.0026 104 LYS 13 C -0.0298 0.0231 0.0011 105 LYS 13 O -0.0327 0.0289 0.0015 106 LYS 13 CB -0.0269 0.0302 0.0023 107 LYS 13 CG -0.0352 0.0393 0.0024 108 LYS 13 CD -0.0359 0.0464 0.0032 109 LYS 13 CE -0.0426 0.0567 0.0036 110 LYS 13 NZ -0.0411 0.0646 0.0048 111 ARG 14 N -0.0392 0.0294 -0.0031 112 ARG 14 CA -0.0630 0.0030 0.0044 113 ARG 14 C -0.0424 -0.0162 -0.0014 114 ARG 14 O -0.0595 -0.0257 0.0038 115 ARG 14 CB -0.0850 -0.0243 0.0114 116 ARG 14 CB -0.0747 -0.0308 0.0084 117 ARG 14 CG -0.1159 -0.0038 0.0202 118 ARG 14 CG -0.1085 -0.0189 0.0182 119 ARG 14 CD -0.1425 0.0180 0.0277 120 ARG 14 CD -0.1282 -0.0559 0.0247 121 ARG 14 NE -0.1771 0.0291 0.0377 122 ARG 14 NE -0.1036 -0.0809 0.0178 123 ARG 14 CZ -0.2045 0.0059 0.0462 124 ARG 14 CZ -0.0968 -0.0773 0.0157 125 ARG 14 NH1 -0.2132 0.0021 0.0488 126 ARG 14 NH1 -0.1146 -0.0508 0.0205 127 ARG 14 NH2 -0.2251 -0.0130 0.0526 128 ARG 14 NH2 -0.0710 -0.1004 0.0085 129 LEU 15 N -0.0099 -0.0032 0.0067 130 LEU 15 CA -0.0016 -0.0062 0.0066 131 LEU 15 C 0.0034 0.0011 0.0029 132 LEU 15 O 0.0107 -0.0005 0.0024 133 LEU 15 CB 0.0047 -0.0120 0.0078 134 LEU 15 CG 0.0013 -0.0209 0.0118 135 LEU 15 CD1 0.0073 -0.0256 0.0126 136 LEU 15 CD2 0.0011 -0.0269 0.0142 137 GLY 16 N -0.0043 0.0106 -0.0025 138 GLY 16 CA -0.0025 0.0143 -0.0040 139 GLY 16 C -0.0001 0.0154 -0.0031 140 GLY 16 O 0.0020 0.0184 -0.0038 141 MET 17 N 0.0012 0.0139 -0.0037 142 MET 17 CA 0.0046 0.0156 -0.0040 143 MET 17 C 0.0038 0.0196 -0.0055 144 MET 17 O 0.0069 0.0216 -0.0059 145 MET 17 CB 0.0058 0.0126 -0.0027 146 MET 17 CG 0.0077 0.0088 -0.0011 147 MET 17 SD 0.0130 0.0099 -0.0010 148 MET 17 CE 0.0161 0.0075 0.0003 149 ASP 18 N -0.0032 0.0225 -0.0053 150 ASP 18 CA -0.0039 0.0267 -0.0065 151 ASP 18 C -0.0027 0.0275 -0.0077 152 ASP 18 O -0.0041 0.0268 -0.0064 153 ASP 18 CB -0.0077 0.0285 -0.0047 154 ASP 18 CG -0.0084 0.0329 -0.0059 155 ASP 18 OD1 -0.0060 0.0347 -0.0082 156 ASP 18 OD2 -0.0113 0.0347 -0.0046 157 GLY 19 N 0.0017 0.0251 -0.0053 158 GLY 19 CA 0.0021 0.0261 -0.0055 159 GLY 19 C 0.0032 0.0231 -0.0064 160 GLY 19 O 0.0033 0.0236 -0.0064 161 TYR 20 N 0.0054 0.0173 -0.0033 162 TYR 20 CA 0.0078 0.0140 -0.0038 163 TYR 20 C 0.0106 0.0148 -0.0070 164 TYR 20 O 0.0113 0.0162 -0.0087 165 TYR 20 CB 0.0081 0.0113 -0.0026 166 TYR 20 CG 0.0102 0.0077 -0.0026 167 TYR 20 CD1 0.0093 0.0055 -0.0004 168 TYR 20 CD2 0.0130 0.0066 -0.0049 169 TYR 20 CE1 0.0112 0.0022 -0.0004 170 TYR 20 CE2 0.0149 0.0035 -0.0050 171 TYR 20 CZ 0.0140 0.0012 -0.0028 172 TYR 20 OH 0.0159 -0.0020 -0.0029 173 ARG 21 N 0.0112 0.0056 -0.0051 174 ARG 21 CA 0.0111 0.0042 -0.0094 175 ARG 21 C 0.0092 0.0066 -0.0119 176 ARG 21 O 0.0082 0.0070 -0.0155 177 ARG 21 CB 0.0112 0.0035 -0.0110 178 ARG 21 CG 0.0135 0.0004 -0.0093 179 ARG 21 CD 0.0149 -0.0030 -0.0124 180 ARG 21 NE 0.0137 -0.0024 -0.0161 181 ARG 21 CZ 0.0138 -0.0038 -0.0198 182 ARG 21 NH1 0.0155 -0.0068 -0.0203 183 ARG 21 NH2 0.0121 -0.0023 -0.0231 184 GLY 22 N 0.0092 0.0220 -0.0085 185 GLY 22 CA 0.0103 0.0334 -0.0097 186 GLY 22 C 0.0127 0.0367 -0.0115 187 GLY 22 O 0.0144 0.0465 -0.0131 188 ILE 23 N 0.0091 0.0220 -0.0081 189 ILE 23 CA 0.0091 0.0217 -0.0081 190 ILE 23 C 0.0060 0.0217 -0.0068 191 ILE 23 O 0.0045 0.0197 -0.0055 192 ILE 23 CB 0.0111 0.0188 -0.0077 193 ILE 23 CG1 0.0142 0.0186 -0.0089 194 ILE 23 CG2 0.0112 0.0185 -0.0076 195 ILE 23 CD1 0.0159 0.0155 -0.0084 196 SER 24 N 0.0123 0.0306 -0.0122 197 SER 24 CA 0.0085 0.0295 -0.0124 198 SER 24 C 0.0078 0.0260 -0.0103 199 SER 24 O 0.0102 0.0245 -0.0088 200 SER 24 CB 0.0070 0.0311 -0.0138 201 SER 24 OG 0.0085 0.0301 -0.0128 202 LEU 25 N 0.0110 0.0287 -0.0097 203 LEU 25 CA 0.0105 0.0261 -0.0089 204 LEU 25 C 0.0120 0.0265 -0.0094 205 LEU 25 O 0.0133 0.0242 -0.0091 206 LEU 25 CB 0.0070 0.0258 -0.0080 207 LEU 25 CB 0.0070 0.0258 -0.0080 208 LEU 25 CG 0.0054 0.0239 -0.0071 209 LEU 25 CG 0.0059 0.0230 -0.0069 210 LEU 25 CD1 0.0020 0.0235 -0.0061 211 LEU 25 CD1 0.0073 0.0201 -0.0065 212 LEU 25 CD2 0.0071 0.0208 -0.0066 213 LEU 25 CD2 0.0023 0.0231 -0.0061 214 ALA 26 N 0.0186 0.0203 -0.0145 215 ALA 26 CA 0.0153 0.0173 -0.0121 216 ALA 26 C 0.0164 0.0186 -0.0078 217 ALA 26 O 0.0144 0.0169 -0.0041 218 ALA 26 CB 0.0131 0.0151 -0.0157 219 ASN 27 N 0.0137 0.0132 -0.0066 220 ASN 27 CA 0.0117 0.0150 -0.0029 221 ASN 27 C 0.0113 0.0182 -0.0028 222 ASN 27 O 0.0100 0.0183 -0.0001 223 ASN 27 CB 0.0110 0.0167 -0.0018 224 ASN 27 CG 0.0103 0.0133 0.0002 225 ASN 27 OD1 0.0090 0.0117 0.0030 226 ASN 27 ND2 0.0113 0.0125 -0.0016 227 TRP 28 N 0.0123 0.0179 -0.0038 228 TRP 28 CA 0.0124 0.0165 -0.0037 229 TRP 28 C 0.0123 0.0165 -0.0036 230 TRP 28 O 0.0129 0.0157 -0.0038 231 TRP 28 CB 0.0115 0.0157 -0.0030 232 TRP 28 CG 0.0117 0.0154 -0.0030 233 TRP 28 CD1 0.0110 0.0158 -0.0026 234 TRP 28 CD2 0.0125 0.0145 -0.0034 235 TRP 28 NE1 0.0113 0.0153 -0.0028 236 TRP 28 CE2 0.0123 0.0145 -0.0033 237 TRP 28 CE3 0.0134 0.0138 -0.0039 238 TRP 28 CZ2 0.0129 0.0137 -0.0036 239 TRP 28 CZ3 0.0141 0.0130 -0.0042 240 TRP 28 CH2 0.0138 0.0130 -0.0040 241 MET 29 N 0.0143 0.0167 -0.0034 242 MET 29 CA 0.0135 0.0153 -0.0029 243 MET 29 C 0.0121 0.0143 -0.0009 244 MET 29 O 0.0115 0.0142 0.0005 245 MET 29 CB 0.0136 0.0136 -0.0048 246 MET 29 CG 0.0148 0.0144 -0.0068 247 MET 29 SD 0.0150 0.0155 -0.0063 248 MET 29 CE 0.0138 0.0130 -0.0059 249 CYS 30 N 0.0113 0.0123 0.0008 250 CYS 30 CA 0.0099 0.0111 0.0031 251 CYS 30 C 0.0077 0.0136 0.0039 252 CYS 30 O 0.0071 0.0136 0.0045 253 CYS 30 CB 0.0094 0.0090 0.0053 254 CYS 30 SG 0.0080 0.0071 0.0082 255 LEU 31 N 0.0071 0.0136 0.0036 256 LEU 31 CA 0.0057 0.0142 0.0028 257 LEU 31 C 0.0062 0.0152 0.0013 258 LEU 31 O 0.0058 0.0157 0.0006 259 LEU 31 CB 0.0045 0.0141 0.0030 260 LEU 31 CG 0.0030 0.0147 0.0021 261 LEU 31 CD1 0.0020 0.0144 0.0025 262 LEU 31 CD2 0.0021 0.0147 0.0022 263 ALA 32 N 0.0092 0.0129 0.0009 264 ALA 32 CA 0.0092 0.0129 0.0006 265 ALA 32 C 0.0096 0.0130 0.0005 266 ALA 32 O 0.0097 0.0130 0.0002 267 ALA 32 CB 0.0092 0.0129 0.0007 268 LYS 33 N 0.0102 0.0136 0.0002 269 LYS 33 CA 0.0097 0.0127 0.0005 270 LYS 33 C 0.0085 0.0129 0.0017 271 LYS 33 O 0.0081 0.0132 0.0022 272 LYS 33 CB 0.0098 0.0111 0.0001 273 LYS 33 CG 0.0095 0.0103 0.0002 274 LYS 33 CD 0.0085 0.0095 0.0011 275 LYS 33 CE 0.0081 0.0089 0.0014 276 LYS 33 NZ 0.0090 0.0086 0.0004 277 TRP 34 N 0.0072 0.0133 0.0008 278 TRP 34 CA 0.0052 0.0133 0.0013 279 TRP 34 C 0.0029 0.0152 0.0001 280 TRP 34 O 0.0017 0.0158 -0.0001 281 TRP 34 CB 0.0043 0.0113 0.0037 282 TRP 34 CG 0.0068 0.0096 0.0047 283 TRP 34 CD1 0.0082 0.0081 0.0058 284 TRP 34 CD2 0.0083 0.0093 0.0045 285 TRP 34 NE1 0.0104 0.0069 0.0064 286 TRP 34 CE2 0.0105 0.0076 0.0056 287 TRP 34 CE3 0.0079 0.0104 0.0035 288 TRP 34 CZ2 0.0124 0.0068 0.0057 289 TRP 34 CZ3 0.0099 0.0096 0.0037 290 TRP 34 CH2 0.0120 0.0079 0.0047 291 GLU 35 N 0.0027 0.0106 -0.0014 292 GLU 35 CA 0.0009 0.0112 -0.0030 293 GLU 35 C 0.0018 0.0114 -0.0056 294 GLU 35 O 0.0014 0.0117 -0.0067 295 GLU 35 CB -0.0014 0.0117 -0.0030 296 GLU 35 CG -0.0030 0.0116 -0.0006 297 GLU 35 CD -0.0041 0.0117 -0.0001 298 GLU 35 OE1 -0.0040 0.0119 -0.0017 299 GLU 35 OE2 -0.0051 0.0116 0.0020 300 SER 36 N 0.0071 0.0114 -0.0034 301 SER 36 CA 0.0075 0.0128 -0.0038 302 SER 36 C 0.0088 0.0147 -0.0029 303 SER 36 O 0.0093 0.0160 -0.0032 304 SER 36 CB 0.0075 0.0117 -0.0029 305 SER 36 OG 0.0084 0.0113 -0.0009 306 GLY 37 N 0.0098 0.0157 -0.0027 307 GLY 37 CA 0.0109 0.0159 -0.0027 308 GLY 37 C 0.0116 0.0162 -0.0028 309 GLY 37 O 0.0124 0.0168 -0.0030 310 TYR 38 N 0.0117 0.0137 -0.0018 311 TYR 38 CA 0.0123 0.0140 -0.0020 312 TYR 38 C 0.0124 0.0146 -0.0017 313 TYR 38 O 0.0128 0.0148 -0.0018 314 TYR 38 CB 0.0125 0.0136 -0.0024 315 TYR 38 CG 0.0124 0.0130 -0.0027 316 TYR 38 CD1 0.0125 0.0128 -0.0029 317 TYR 38 CD2 0.0122 0.0126 -0.0029 318 TYR 38 CE1 0.0124 0.0123 -0.0032 319 TYR 38 CE2 0.0121 0.0121 -0.0032 320 TYR 38 CZ 0.0122 0.0119 -0.0033 321 TYR 38 OH 0.0121 0.0113 -0.0036 322 ASN 39 N 0.0148 0.0150 0.0001 323 ASN 39 CA 0.0146 0.0160 -0.0003 324 ASN 39 C 0.0142 0.0140 -0.0007 325 ASN 39 O 0.0131 0.0128 -0.0023 326 ASN 39 CB 0.0136 0.0177 -0.0023 327 ASN 39 CG 0.0134 0.0189 -0.0029 328 ASN 39 OD1 0.0140 0.0188 -0.0018 329 ASN 39 ND2 0.0124 0.0201 -0.0048 330 THR 40 N 0.0156 0.0138 -0.0001 331 THR 40 CA 0.0160 0.0126 0.0000 332 THR 40 C 0.0149 0.0133 -0.0009 333 THR 40 O 0.0150 0.0120 -0.0012 334 THR 40 CB 0.0176 0.0124 0.0018 335 THR 40 OG1 0.0179 0.0144 0.0026 336 THR 40 CG2 0.0188 0.0115 0.0027 337 ARG 41 N 0.0193 0.0138 0.0007 338 ARG 41 CA 0.0152 0.0174 -0.0029 339 ARG 41 C 0.0104 0.0158 -0.0030 340 ARG 41 O 0.0066 0.0185 -0.0058 341 ARG 41 CB 0.0190 0.0223 -0.0053 342 ARG 41 CB 0.0185 0.0226 -0.0057 343 ARG 41 CG 0.0171 0.0270 -0.0091 344 ARG 41 CG 0.0183 0.0237 -0.0065 345 ARG 41 CD 0.0204 0.0315 -0.0114 346 ARG 41 CD 0.0129 0.0259 -0.0093 347 ARG 41 NE 0.0163 0.0344 -0.0144 348 ARG 41 NE 0.0098 0.0236 -0.0085 349 ARG 41 CZ 0.0127 0.0372 -0.0172 350 ARG 41 CZ 0.0040 0.0228 -0.0095 351 ARG 41 NH1 0.0143 0.0396 -0.0185 352 ARG 41 NH1 0.0006 0.0247 -0.0116 353 ARG 41 NH2 0.0076 0.0377 -0.0189 354 ARG 41 NH2 0.0015 0.0203 -0.0083 355 ALA 42 N 0.0096 0.0100 -0.0038 356 ALA 42 CA 0.0067 0.0093 -0.0064 357 ALA 42 C 0.0038 0.0069 -0.0085 358 ALA 42 O 0.0040 0.0036 -0.0073 359 ALA 42 CB 0.0072 0.0070 -0.0053 360 THR 43 N -0.0006 0.0008 -0.0061 361 THR 43 CA -0.0057 0.0023 -0.0049 362 THR 43 C -0.0112 -0.0003 -0.0028 363 THR 43 O -0.0118 -0.0003 -0.0027 364 THR 43 CB -0.0070 0.0092 -0.0057 365 THR 43 OG1 -0.0080 0.0116 -0.0059 366 THR 43 CG2 -0.0018 0.0122 -0.0078 367 ASN 44 N -0.0242 -0.0105 0.0053 368 ASN 44 CA -0.0287 -0.0119 0.0052 369 ASN 44 C -0.0285 -0.0107 0.0061 370 ASN 44 O -0.0256 -0.0116 0.0047 371 ASN 44 CB -0.0295 -0.0159 0.0017 372 ASN 44 CG -0.0337 -0.0176 0.0012 373 ASN 44 OD1 -0.0374 -0.0167 0.0028 374 ASN 44 ND2 -0.0332 -0.0201 -0.0012 375 TYR 45 N -0.0386 -0.0229 0.0177 376 TYR 45 CA -0.0301 -0.0236 0.0188 377 TYR 45 C -0.0258 -0.0192 0.0147 378 TYR 45 O -0.0282 -0.0187 0.0141 379 TYR 45 CB -0.0280 -0.0297 0.0247 380 TYR 45 CG -0.0192 -0.0308 0.0262 381 TYR 45 CD1 -0.0148 -0.0304 0.0260 382 TYR 45 CD2 -0.0154 -0.0324 0.0278 383 TYR 45 CE1 -0.0067 -0.0314 0.0273 384 TYR 45 CE2 -0.0072 -0.0333 0.0291 385 TYR 45 CZ -0.0030 -0.0329 0.0290 386 TYR 45 OH 0.0052 -0.0339 0.0302 387 ASN 46 N -0.0238 -0.0221 0.0145 388 ASN 46 CA -0.0217 -0.0203 0.0118 389 ASN 46 C -0.0166 -0.0206 0.0167 390 ASN 46 O -0.0109 -0.0191 0.0175 391 ASN 46 CB -0.0185 -0.0169 0.0058 392 ASN 46 CG -0.0233 -0.0165 0.0009 393 ASN 46 OD1 -0.0283 -0.0172 -0.0015 394 ASN 46 ND2 -0.0222 -0.0156 -0.0005 395 ALA 47 N -0.0183 -0.0297 0.0239 396 ALA 47 CA -0.0096 -0.0325 0.0323 397 ALA 47 C 0.0015 -0.0267 0.0280 398 ALA 47 O 0.0116 -0.0274 0.0338 399 ALA 47 CB -0.0157 -0.0372 0.0371 400 GLY 48 N -0.0012 -0.0217 0.0207 401 GLY 48 CA 0.0155 -0.0121 0.0141 402 GLY 48 C 0.0264 -0.0098 0.0136 403 GLY 48 O 0.0436 -0.0089 0.0156 404 ASP 49 N 0.0073 -0.0125 0.0165 405 ASP 49 CA 0.0099 -0.0092 0.0155 406 ASP 49 C 0.0079 -0.0127 0.0170 407 ASP 49 O 0.0096 -0.0104 0.0162 408 ASP 49 CB 0.0083 -0.0033 0.0104 409 ASP 49 CG 0.0015 -0.0034 0.0070 410 ASP 49 OD1 -0.0026 -0.0082 0.0083 411 ASP 49 OD2 0.0002 0.0014 0.0028 412 ARG 50 N 0.0063 -0.0152 0.0145 413 ARG 50 CA 0.0003 -0.0294 0.0216 414 ARG 50 C -0.0164 -0.0258 0.0122 415 ARG 50 O -0.0198 -0.0342 0.0165 416 ARG 50 CB 0.0198 -0.0330 0.0322 417 ARG 50 CG 0.0325 -0.0443 0.0452 418 ARG 50 CD 0.0528 -0.0464 0.0551 419 ARG 50 NE 0.0712 -0.0364 0.0560 420 ARG 50 CZ 0.0909 -0.0379 0.0653 421 ARG 50 NH1 0.0949 -0.0549 0.0785 422 ARG 50 NH2 0.1063 -0.0227 0.0615 423 SER 51 N -0.0098 -0.0150 0.0103 424 SER 51 CA -0.0115 -0.0145 0.0079 425 SER 51 C -0.0138 -0.0169 0.0071 426 SER 51 O -0.0141 -0.0186 0.0081 427 SER 51 CB -0.0114 -0.0120 0.0060 428 SER 51 OG -0.0122 -0.0125 0.0055 429 THR 52 N -0.0119 -0.0120 0.0005 430 THR 52 CA -0.0122 -0.0132 -0.0003 431 THR 52 C -0.0113 -0.0140 -0.0024 432 THR 52 O -0.0101 -0.0130 -0.0033 433 THR 52 CB -0.0118 -0.0121 0.0002 434 THR 52 OG1 -0.0126 -0.0114 0.0022 435 THR 52 CG2 -0.0120 -0.0132 -0.0006 436 ASP 53 N -0.0113 -0.0096 -0.0054 437 ASP 53 CA -0.0095 -0.0111 -0.0061 438 ASP 53 C -0.0080 -0.0097 -0.0056 439 ASP 53 O -0.0089 -0.0084 -0.0051 440 ASP 53 CB -0.0107 -0.0129 -0.0068 441 ASP 53 CG -0.0124 -0.0143 -0.0072 442 ASP 53 OD1 -0.0117 -0.0149 -0.0075 443 ASP 53 OD2 -0.0144 -0.0147 -0.0073 444 TYR 54 N -0.0026 -0.0084 -0.0064 445 TYR 54 CA -0.0008 -0.0069 -0.0057 446 TYR 54 C 0.0011 -0.0077 -0.0048 447 TYR 54 O 0.0017 -0.0096 -0.0044 448 TYR 54 CB -0.0003 -0.0067 -0.0055 449 TYR 54 CG -0.0019 -0.0055 -0.0063 450 TYR 54 CD1 -0.0035 -0.0067 -0.0069 451 TYR 54 CD2 -0.0016 -0.0033 -0.0063 452 TYR 54 CE1 -0.0049 -0.0055 -0.0076 453 TYR 54 CE2 -0.0030 -0.0021 -0.0070 454 TYR 54 CZ -0.0046 -0.0033 -0.0076 455 TYR 54 OH -0.0060 -0.0021 -0.0083 456 GLY 55 N 0.0053 -0.0015 -0.0054 457 GLY 55 CA 0.0067 -0.0009 -0.0024 458 GLY 55 C 0.0068 -0.0003 -0.0022 459 GLY 55 O 0.0058 0.0003 -0.0043 460 ILE 56 N 0.0088 0.0060 -0.0010 461 ILE 56 CA 0.0092 0.0057 -0.0007 462 ILE 56 C 0.0085 0.0040 -0.0014 463 ILE 56 O 0.0081 0.0040 -0.0017 464 ILE 56 CB 0.0110 0.0057 0.0007 465 ILE 56 CG1 0.0114 0.0060 0.0011 466 ILE 56 CG2 0.0117 0.0038 0.0013 467 ILE 56 CD1 0.0131 0.0066 0.0026 468 PHE 57 N 0.0035 0.0063 0.0004 469 PHE 57 CA 0.0025 0.0041 -0.0002 470 PHE 57 C 0.0001 0.0043 -0.0009 471 PHE 57 O -0.0010 0.0025 -0.0015 472 PHE 57 CB 0.0039 0.0024 -0.0001 473 PHE 57 CG 0.0063 0.0018 0.0005 474 PHE 57 CD1 0.0065 0.0007 0.0004 475 PHE 57 CD2 0.0082 0.0022 0.0011 476 PHE 57 CE1 0.0086 0.0001 0.0009 477 PHE 57 CE2 0.0103 0.0015 0.0016 478 PHE 57 CZ 0.0106 0.0005 0.0015 479 GLN 58 N -0.0010 -0.0068 -0.0056 480 GLN 58 CA -0.0026 -0.0065 -0.0059 481 GLN 58 C -0.0032 -0.0072 -0.0059 482 GLN 58 O -0.0043 -0.0080 -0.0059 483 GLN 58 CB -0.0034 -0.0069 -0.0059 484 GLN 58 CG -0.0030 -0.0059 -0.0060 485 GLN 58 CD -0.0036 -0.0044 -0.0062 486 GLN 58 OE1 -0.0049 -0.0042 -0.0064 487 GLN 58 NE2 -0.0028 -0.0034 -0.0062 488 ILE 59 N -0.0009 -0.0085 -0.0034 489 ILE 59 CA -0.0005 -0.0105 -0.0039 490 ILE 59 C -0.0008 -0.0108 -0.0051 491 ILE 59 O -0.0009 -0.0100 -0.0047 492 ILE 59 CB 0.0003 -0.0115 -0.0021 493 ILE 59 CG1 0.0005 -0.0114 -0.0012 494 ILE 59 CG2 0.0007 -0.0135 -0.0025 495 ILE 59 CD1 0.0013 -0.0119 0.0007 496 ASN 60 N -0.0048 -0.0154 -0.0050 497 ASN 60 CA -0.0069 -0.0140 -0.0039 498 ASN 60 C -0.0066 -0.0117 -0.0038 499 ASN 60 O -0.0054 -0.0117 -0.0043 500 ASN 60 CB -0.0088 -0.0159 -0.0033 501 ASN 60 CG -0.0112 -0.0148 -0.0022 502 ASN 60 OD1 -0.0119 -0.0140 -0.0018 503 ASN 60 ND2 -0.0123 -0.0146 -0.0016 504 SER 61 N -0.0087 -0.0148 -0.0035 505 SER 61 CA -0.0091 -0.0129 -0.0038 506 SER 61 C -0.0105 -0.0122 -0.0027 507 SER 61 O -0.0109 -0.0106 -0.0030 508 SER 61 CB -0.0093 -0.0118 -0.0040 509 SER 61 OG -0.0105 -0.0122 -0.0027 510 ARG 62 N -0.0111 -0.0132 -0.0001 511 ARG 62 CA -0.0123 -0.0105 0.0023 512 ARG 62 C -0.0129 -0.0082 0.0009 513 ARG 62 O -0.0139 -0.0051 0.0012 514 ARG 62 CB -0.0123 -0.0118 0.0060 515 ARG 62 CG -0.0135 -0.0090 0.0085 516 ARG 62 CD -0.0135 -0.0101 0.0122 517 ARG 62 NE -0.0139 -0.0092 0.0131 518 ARG 62 CZ -0.0132 -0.0117 0.0138 519 ARG 62 NH1 -0.0121 -0.0149 0.0138 520 ARG 62 NH2 -0.0135 -0.0112 0.0152 521 TYR 63 N -0.0091 -0.0131 -0.0010 522 TYR 63 CA -0.0089 -0.0133 -0.0011 523 TYR 63 C -0.0072 -0.0128 -0.0028 524 TYR 63 O -0.0073 -0.0122 -0.0031 525 TYR 63 CB -0.0085 -0.0158 0.0002 526 TYR 63 CG -0.0102 -0.0166 0.0020 527 TYR 63 CD1 -0.0121 -0.0158 0.0031 528 TYR 63 CD2 -0.0099 -0.0179 0.0026 529 TYR 63 CE1 -0.0137 -0.0164 0.0048 530 TYR 63 CE2 -0.0115 -0.0185 0.0043 531 TYR 63 CZ -0.0133 -0.0177 0.0054 532 TYR 63 OH -0.0149 -0.0183 0.0070 533 TRP 64 N -0.0003 -0.0134 -0.0018 534 TRP 64 CA -0.0011 -0.0134 -0.0028 535 TRP 64 C -0.0015 -0.0140 -0.0034 536 TRP 64 O -0.0022 -0.0136 -0.0041 537 TRP 64 CB -0.0011 -0.0139 -0.0030 538 TRP 64 CG -0.0008 -0.0132 -0.0023 539 TRP 64 CD1 -0.0001 -0.0136 -0.0017 540 TRP 64 CD2 -0.0011 -0.0121 -0.0023 541 TRP 64 NE1 0.0001 -0.0128 -0.0012 542 TRP 64 CE2 -0.0005 -0.0118 -0.0016 543 TRP 64 CE3 -0.0017 -0.0112 -0.0028 544 TRP 64 CZ2 -0.0006 -0.0107 -0.0014 545 TRP 64 CZ3 -0.0019 -0.0101 -0.0026 546 TRP 64 CH2 -0.0013 -0.0099 -0.0019 547 CYS 65 N -0.0036 -0.0146 -0.0041 548 CYS 65 CA -0.0028 -0.0127 -0.0049 549 CYS 65 C -0.0047 -0.0113 -0.0058 550 CYS 65 O -0.0063 -0.0116 -0.0058 551 CYS 65 CB -0.0009 -0.0118 -0.0051 552 CYS 65 SG -0.0015 -0.0112 -0.0055 553 ASN 66 N -0.0062 -0.0111 -0.0065 554 ASN 66 CA -0.0083 -0.0095 -0.0079 555 ASN 66 C -0.0070 -0.0076 -0.0096 556 ASN 66 O -0.0050 -0.0067 -0.0106 557 ASN 66 CB -0.0098 -0.0086 -0.0086 558 ASN 66 CG -0.0121 -0.0070 -0.0100 559 ASN 66 OD1 -0.0138 -0.0072 -0.0097 560 ASN 66 ND2 -0.0122 -0.0053 -0.0115 561 ASP 67 N -0.0114 -0.0071 -0.0094 562 ASP 67 CA -0.0104 -0.0057 -0.0114 563 ASP 67 C -0.0131 -0.0036 -0.0123 564 ASP 67 O -0.0127 -0.0022 -0.0139 565 ASP 67 CB -0.0087 -0.0072 -0.0107 566 ASP 67 CG -0.0106 -0.0084 -0.0086 567 ASP 67 OD1 -0.0135 -0.0079 -0.0077 568 ASP 67 OD2 -0.0091 -0.0098 -0.0078 569 GLY 68 N -0.0164 -0.0039 -0.0140 570 GLY 68 CA -0.0211 -0.0010 -0.0163 571 GLY 68 C -0.0224 -0.0014 -0.0144 572 GLY 68 O -0.0273 0.0007 -0.0148 573 LYS 69 N -0.0152 -0.0090 -0.0059 574 LYS 69 CA -0.0160 -0.0094 -0.0045 575 LYS 69 C -0.0165 -0.0108 -0.0026 576 LYS 69 O -0.0170 -0.0115 -0.0013 577 LYS 69 CB -0.0150 -0.0101 -0.0052 578 LYS 69 CG -0.0133 -0.0120 -0.0057 579 LYS 69 CD -0.0125 -0.0127 -0.0061 580 LYS 69 CE -0.0112 -0.0149 -0.0058 581 LYS 69 NZ -0.0096 -0.0152 -0.0076 582 THR 70 N -0.0168 -0.0084 -0.0028 583 THR 70 CA -0.0164 -0.0086 0.0011 584 THR 70 C -0.0188 -0.0057 0.0033 585 THR 70 O -0.0207 -0.0035 0.0020 586 THR 70 CB -0.0158 -0.0094 0.0007 587 THR 70 OG1 -0.0136 -0.0121 -0.0016 588 THR 70 CG2 -0.0150 -0.0100 0.0047 589 PRO 71 N -0.0172 -0.0033 0.0087 590 PRO 71 CA -0.0210 0.0034 0.0137 591 PRO 71 C -0.0211 0.0033 0.0140 592 PRO 71 O -0.0185 -0.0032 0.0140 593 PRO 71 CB -0.0224 0.0015 0.0226 594 PRO 71 CG -0.0198 -0.0044 0.0217 595 PRO 71 CD -0.0161 -0.0092 0.0139 596 GLY 72 N -0.0287 0.0012 0.0128 597 GLY 72 CA -0.0277 -0.0015 0.0123 598 GLY 72 C -0.0218 -0.0045 0.0070 599 GLY 72 O -0.0206 -0.0094 0.0067 600 ALA 73 N -0.0204 -0.0056 0.0025 601 ALA 73 CA -0.0182 -0.0064 0.0016 602 ALA 73 C -0.0185 -0.0062 0.0016 603 ALA 73 O -0.0201 -0.0045 0.0013 604 ALA 73 CB -0.0166 -0.0050 -0.0006 605 VAL 74 N -0.0129 -0.0133 -0.0006 606 VAL 74 CA -0.0121 -0.0137 -0.0008 607 VAL 74 C -0.0102 -0.0132 -0.0017 608 VAL 74 O -0.0096 -0.0128 -0.0021 609 VAL 74 CB -0.0122 -0.0159 -0.0002 610 VAL 74 CG1 -0.0112 -0.0166 -0.0004 611 VAL 74 CG2 -0.0143 -0.0163 0.0008 612 ASN 75 N -0.0078 -0.0155 -0.0050 613 ASN 75 CA -0.0062 -0.0151 -0.0051 614 ASN 75 C -0.0054 -0.0163 -0.0045 615 ASN 75 O -0.0048 -0.0161 -0.0045 616 ASN 75 CB -0.0062 -0.0138 -0.0056 617 ASN 75 CG -0.0047 -0.0131 -0.0058 618 ASN 75 OD1 -0.0036 -0.0135 -0.0055 619 ASN 75 ND2 -0.0044 -0.0119 -0.0062 620 ALA 76 N -0.0004 -0.0163 -0.0034 621 ALA 76 CA 0.0003 -0.0176 -0.0027 622 ALA 76 C 0.0016 -0.0171 -0.0017 623 ALA 76 O 0.0024 -0.0181 -0.0010 624 ALA 76 CB -0.0002 -0.0184 -0.0032 625 CYS 77 N 0.0026 -0.0171 -0.0020 626 CYS 77 CA 0.0035 -0.0165 -0.0002 627 CYS 77 C 0.0033 -0.0170 -0.0002 628 CYS 77 O 0.0039 -0.0167 0.0014 629 CYS 77 CB 0.0047 -0.0141 -0.0002 630 CYS 77 SG 0.0053 -0.0134 0.0006 631 HIS 78 N 0.0013 -0.0187 -0.0007 632 HIS 78 CA 0.0010 -0.0194 -0.0007 633 HIS 78 C 0.0020 -0.0174 -0.0002 634 HIS 78 O 0.0024 -0.0176 0.0013 635 HIS 78 CB 0.0004 -0.0217 0.0008 636 HIS 78 CG -0.0008 -0.0237 -0.0001 637 HIS 78 ND1 -0.0008 -0.0244 0.0009 638 HIS 78 CD2 -0.0019 -0.0250 -0.0019 639 HIS 78 CE1 -0.0019 -0.0261 -0.0003 640 HIS 78 NE2 -0.0026 -0.0266 -0.0020 641 LEU 79 N 0.0021 -0.0167 -0.0024 642 LEU 79 CA 0.0042 -0.0140 -0.0027 643 LEU 79 C 0.0029 -0.0117 -0.0050 644 LEU 79 O 0.0012 -0.0121 -0.0058 645 LEU 79 CB 0.0061 -0.0143 -0.0012 646 LEU 79 CG 0.0089 -0.0145 0.0007 647 LEU 79 CD1 0.0105 -0.0141 0.0015 648 LEU 79 CD2 0.0107 -0.0130 0.0010 649 SER 80 N 0.0028 -0.0100 -0.0052 650 SER 80 CA 0.0022 -0.0075 -0.0072 651 SER 80 C 0.0038 -0.0074 -0.0065 652 SER 80 O 0.0067 -0.0077 -0.0050 653 SER 80 CB 0.0036 -0.0045 -0.0084 654 SER 80 OG 0.0034 -0.0020 -0.0102 655 CYS 81 N 0.0003 -0.0066 -0.0072 656 CYS 81 CA 0.0016 -0.0064 -0.0068 657 CYS 81 C 0.0046 -0.0039 -0.0070 658 CYS 81 O 0.0067 -0.0039 -0.0062 659 CYS 81 CB -0.0010 -0.0060 -0.0080 660 CYS 81 SG -0.0044 -0.0092 -0.0076 661 SER 82 N 0.0054 -0.0012 -0.0086 662 SER 82 CA 0.0086 0.0024 -0.0078 663 SER 82 C 0.0124 0.0012 -0.0046 664 SER 82 O 0.0151 0.0037 -0.0037 665 SER 82 CB 0.0083 0.0051 -0.0092 666 SER 82 CB 0.0084 0.0046 -0.0089 667 SER 82 OG 0.0090 0.0030 -0.0079 668 SER 82 OG 0.0116 0.0079 -0.0081 669 ALA 83 N 0.0123 -0.0021 -0.0031 670 ALA 83 CA 0.0149 -0.0031 -0.0004 671 ALA 83 C 0.0156 -0.0028 0.0002 672 ALA 83 O 0.0180 -0.0027 0.0023 673 ALA 83 CB 0.0147 -0.0068 0.0007 674 LEU 84 N 0.0122 -0.0022 -0.0007 675 LEU 84 CA 0.0123 -0.0027 -0.0005 676 LEU 84 C 0.0126 0.0004 -0.0010 677 LEU 84 O 0.0126 0.0004 -0.0010 678 LEU 84 CB 0.0097 -0.0049 -0.0018 679 LEU 84 CG 0.0091 -0.0081 -0.0014 680 LEU 84 CD1 0.0064 -0.0099 -0.0028 681 LEU 84 CD2 0.0114 -0.0101 0.0005 682 LEU 85 N 0.0149 0.0043 -0.0013 683 LEU 85 CA 0.0158 0.0085 -0.0018 684 LEU 85 C 0.0195 0.0105 0.0004 685 LEU 85 O 0.0205 0.0142 0.0001 686 LEU 85 CB 0.0131 0.0112 -0.0045 687 LEU 85 CG 0.0093 0.0096 -0.0069 688 LEU 85 CD1 0.0069 0.0123 -0.0094 689 LEU 85 CD2 0.0090 0.0095 -0.0071 690 GLN 86 N 0.0186 0.0089 0.0020 691 GLN 86 CA 0.0207 0.0101 0.0051 692 GLN 86 C 0.0217 0.0117 0.0066 693 GLN 86 O 0.0212 0.0109 0.0058 694 GLN 86 CB 0.0218 0.0068 0.0072 695 GLN 86 CG 0.0212 0.0052 0.0063 696 GLN 86 CD 0.0223 0.0019 0.0084 697 GLN 86 OE1 0.0217 -0.0012 0.0077 698 GLN 86 NE2 0.0241 0.0025 0.0110 699 ASP 87 N 0.0260 0.0150 0.0080 700 ASP 87 CA 0.0268 0.0163 0.0094 701 ASP 87 C 0.0290 0.0123 0.0109 702 ASP 87 O 0.0289 0.0118 0.0107 703 ASP 87 CB 0.0283 0.0203 0.0125 704 ASP 87 CG 0.0263 0.0249 0.0114 705 ASP 87 OD1 0.0234 0.0254 0.0080 706 ASP 87 OD2 0.0275 0.0282 0.0138 707 ASN 88 N 0.0270 0.0121 0.0106 708 ASN 88 CA 0.0271 0.0078 0.0148 709 ASN 88 C 0.0243 0.0039 0.0129 710 ASN 88 O 0.0216 0.0023 0.0092 711 ASN 88 CB 0.0266 0.0052 0.0164 712 ASN 88 CG 0.0271 0.0011 0.0211 713 ASN 88 OD1 0.0253 -0.0027 0.0211 714 ASN 88 ND2 0.0298 0.0023 0.0252 715 ILE 89 N 0.0202 -0.0014 0.0105 716 ILE 89 CA 0.0187 -0.0038 0.0079 717 ILE 89 C 0.0206 -0.0073 0.0076 718 ILE 89 O 0.0197 -0.0098 0.0054 719 ILE 89 CB 0.0168 -0.0038 0.0063 720 ILE 89 CG1 0.0186 -0.0049 0.0072 721 ILE 89 CG2 0.0146 -0.0003 0.0062 722 ILE 89 CD1 0.0169 -0.0053 0.0055 723 ALA 90 N 0.0191 -0.0075 0.0150 724 ALA 90 CA 0.0187 -0.0102 0.0160 725 ALA 90 C 0.0176 -0.0120 0.0138 726 ALA 90 O 0.0172 -0.0136 0.0139 727 ALA 90 CB 0.0190 -0.0111 0.0179 728 ASP 91 N 0.0185 -0.0098 0.0114 729 ASP 91 CA 0.0177 -0.0116 0.0092 730 ASP 91 C 0.0161 -0.0116 0.0066 731 ASP 91 O 0.0157 -0.0139 0.0050 732 ASP 91 CB 0.0173 -0.0107 0.0091 733 ASP 91 CG 0.0189 -0.0115 0.0113 734 ASP 91 OD1 0.0202 -0.0136 0.0124 735 ASP 91 OD2 0.0188 -0.0100 0.0118 736 ALA 92 N 0.0151 -0.0091 0.0070 737 ALA 92 CA 0.0149 -0.0083 0.0055 738 ALA 92 C 0.0150 -0.0084 0.0053 739 ALA 92 O 0.0152 -0.0086 0.0040 740 ALA 92 CB 0.0144 -0.0067 0.0055 741 VAL 93 N 0.0163 -0.0088 0.0053 742 VAL 93 CA 0.0158 -0.0075 0.0054 743 VAL 93 C 0.0159 -0.0073 0.0054 744 VAL 93 O 0.0163 -0.0063 0.0054 745 VAL 93 CB 0.0145 -0.0073 0.0055 746 VAL 93 CG1 0.0139 -0.0062 0.0057 747 VAL 93 CG2 0.0146 -0.0072 0.0055 748 ALA 94 N 0.0146 -0.0084 0.0074 749 ALA 94 CA 0.0145 -0.0093 0.0073 750 ALA 94 C 0.0145 -0.0095 0.0064 751 ALA 94 O 0.0144 -0.0100 0.0063 752 ALA 94 CB 0.0143 -0.0100 0.0075 753 CYS 95 N 0.0100 -0.0101 0.0057 754 CYS 95 CA 0.0098 -0.0104 0.0040 755 CYS 95 C 0.0098 -0.0097 0.0036 756 CYS 95 O 0.0096 -0.0105 0.0028 757 CYS 95 CB 0.0097 -0.0098 0.0029 758 CYS 95 SG 0.0094 -0.0102 0.0008 759 ALA 96 N 0.0113 -0.0049 0.0022 760 ALA 96 CA 0.0121 -0.0020 0.0020 761 ALA 96 C 0.0112 -0.0011 0.0030 762 ALA 96 O 0.0123 0.0004 0.0023 763 ALA 96 CB 0.0116 -0.0001 0.0028 764 LYS 97 N 0.0137 -0.0009 0.0012 765 LYS 97 CA 0.0136 -0.0010 0.0014 766 LYS 97 C 0.0137 -0.0012 0.0012 767 LYS 97 O 0.0137 -0.0011 0.0012 768 LYS 97 CB 0.0133 -0.0011 0.0018 769 LYS 97 CG 0.0132 -0.0008 0.0020 770 LYS 97 CD 0.0129 -0.0010 0.0024 771 LYS 97 CE 0.0128 -0.0007 0.0026 772 LYS 97 NZ 0.0126 -0.0009 0.0029 773 ARG 98 N 0.0096 -0.0040 0.0046 774 ARG 98 CA 0.0083 -0.0055 0.0034 775 ARG 98 C 0.0087 -0.0049 0.0024 776 ARG 98 O 0.0079 -0.0059 0.0027 777 ARG 98 CB 0.0075 -0.0062 0.0015 778 ARG 98 CG 0.0064 -0.0075 -0.0001 779 ARG 98 CD 0.0050 -0.0092 0.0012 780 ARG 98 NE 0.0039 -0.0104 -0.0004 781 ARG 98 CZ 0.0039 -0.0103 -0.0007 782 ARG 98 NH1 0.0050 -0.0091 0.0003 783 ARG 98 NH2 0.0028 -0.0116 -0.0021 784 VAL 99 N 0.0036 -0.0022 0.0046 785 VAL 99 CA 0.0036 -0.0017 0.0034 786 VAL 99 C 0.0035 -0.0011 0.0020 787 VAL 99 O 0.0043 -0.0010 0.0009 788 VAL 99 CB 0.0024 -0.0013 0.0038 789 VAL 99 CG1 0.0023 -0.0008 0.0025 790 VAL 99 CG2 0.0026 -0.0019 0.0051 791 VAL 100 N 0.0089 0.0043 -0.0012 792 VAL 100 CA 0.0089 0.0030 -0.0019 793 VAL 100 C 0.0101 0.0011 -0.0020 794 VAL 100 O 0.0101 -0.0002 -0.0027 795 VAL 100 CB 0.0091 0.0038 -0.0013 796 VAL 100 CG1 0.0078 0.0057 -0.0014 797 VAL 100 CG2 0.0107 0.0040 0.0003 798 ARG 101 N 0.0112 -0.0018 -0.0027 799 ARG 101 CA 0.0121 -0.0024 -0.0031 800 ARG 101 C 0.0126 -0.0027 -0.0042 801 ARG 101 O 0.0133 -0.0031 -0.0049 802 ARG 101 CB 0.0129 -0.0030 -0.0020 803 ARG 101 CG 0.0126 -0.0028 -0.0011 804 ARG 101 CD 0.0134 -0.0035 -0.0003 805 ARG 101 NE 0.0137 -0.0037 0.0006 806 ARG 101 CZ 0.0134 -0.0036 0.0017 807 ARG 101 NH1 0.0125 -0.0030 0.0022 808 ARG 101 NH2 0.0138 -0.0039 0.0025 809 ASP 102 N 0.0052 -0.0019 0.0015 810 ASP 102 CA 0.0036 -0.0025 0.0017 811 ASP 102 C 0.0029 -0.0046 0.0009 812 ASP 102 O 0.0033 -0.0053 0.0006 813 ASP 102 CB 0.0018 -0.0012 0.0027 814 ASP 102 CG 0.0021 0.0007 0.0034 815 ASP 102 OD1 0.0038 0.0011 0.0031 816 ASP 102 OD2 0.0007 0.0017 0.0042 817 PRO 103 N 0.0000 -0.0056 0.0035 818 PRO 103 CA -0.0021 -0.0134 0.0012 819 PRO 103 C -0.0064 -0.0159 0.0016 820 PRO 103 O -0.0050 -0.0217 -0.0010 821 PRO 103 CB -0.0064 -0.0152 0.0019 822 PRO 103 CG -0.0033 -0.0097 0.0030 823 PRO 103 CD -0.0014 -0.0029 0.0049 824 GLN 104 N -0.0146 -0.0164 0.0050 825 GLN 104 CA -0.0177 -0.0166 0.0049 826 GLN 104 C -0.0123 -0.0156 0.0051 827 GLN 104 O -0.0133 -0.0170 0.0049 828 GLN 104 CB -0.0225 -0.0104 0.0059 829 GLN 104 CG -0.0298 -0.0115 0.0057 830 GLN 104 CD -0.0341 -0.0056 0.0067 831 GLN 104 OE1 -0.0392 -0.0065 0.0065 832 GLN 104 NE2 -0.0317 0.0004 0.0076 833 GLY 105 N -0.0033 -0.0064 0.0005 834 GLY 105 CA -0.0003 -0.0051 0.0013 835 GLY 105 C -0.0025 -0.0015 0.0020 836 GLY 105 O -0.0049 0.0018 0.0026 837 ILE 106 N -0.0025 0.0033 0.0055 838 ILE 106 CA -0.0023 0.0065 0.0048 839 ILE 106 C -0.0060 0.0066 0.0040 840 ILE 106 O -0.0066 0.0095 0.0032 841 ILE 106 CB 0.0014 0.0063 0.0057 842 ILE 106 CG1 0.0025 0.0101 0.0050 843 ILE 106 CG2 0.0014 0.0027 0.0065 844 ILE 106 CD1 0.0068 0.0108 0.0058 845 ARG 107 N -0.0130 -0.0055 0.0097 846 ARG 107 CA -0.0192 -0.0056 0.0092 847 ARG 107 C -0.0237 -0.0002 0.0075 848 ARG 107 O -0.0287 0.0007 0.0068 849 ARG 107 CB -0.0228 -0.0121 0.0106 850 ARG 107 CG -0.0191 -0.0175 0.0122 851 ARG 107 CD -0.0223 -0.0241 0.0136 852 ARG 107 NE -0.0175 -0.0292 0.0153 853 ARG 107 CZ -0.0113 -0.0288 0.0157 854 ARG 107 NH1 -0.0102 -0.0267 0.0153 855 ARG 107 NH2 -0.0062 -0.0304 0.0166 856 ALA 108 N -0.0162 0.0005 0.0027 857 ALA 108 CA -0.0185 0.0045 0.0025 858 ALA 108 C -0.0202 0.0082 0.0025 859 ALA 108 O -0.0236 0.0108 0.0021 860 ALA 108 CB -0.0153 0.0067 0.0032 861 TRP 109 N -0.0122 0.0069 0.0035 862 TRP 109 CA -0.0127 0.0086 0.0034 863 TRP 109 C -0.0142 0.0067 0.0035 864 TRP 109 O -0.0131 0.0045 0.0036 865 TRP 109 CB -0.0099 0.0096 0.0032 866 TRP 109 CG -0.0083 0.0119 0.0031 867 TRP 109 CD1 -0.0086 0.0149 0.0029 868 TRP 109 CD2 -0.0059 0.0116 0.0030 869 TRP 109 NE1 -0.0067 0.0163 0.0027 870 TRP 109 CE2 -0.0050 0.0144 0.0028 871 TRP 109 CE3 -0.0045 0.0092 0.0032 872 TRP 109 CZ2 -0.0027 0.0148 0.0028 873 TRP 109 CZ3 -0.0023 0.0096 0.0031 874 TRP 109 CH2 -0.0014 0.0124 0.0029 875 VAL 110 N -0.0283 0.0120 0.0041 876 VAL 110 CA -0.0313 0.0085 0.0047 877 VAL 110 C -0.0239 0.0102 0.0058 878 VAL 110 O -0.0232 0.0044 0.0081 879 VAL 110 CB -0.0407 0.0113 0.0014 880 VAL 110 CG1 -0.0482 0.0105 -0.0000 881 VAL 110 CG2 -0.0399 0.0199 -0.0016 882 ALA 111 N -0.0169 0.0127 0.0046 883 ALA 111 CA -0.0122 0.0132 0.0048 884 ALA 111 C -0.0095 0.0106 0.0080 885 ALA 111 O -0.0064 0.0097 0.0093 886 ALA 111 CB -0.0098 0.0164 0.0018 887 TRP 112 N -0.0097 0.0126 0.0079 888 TRP 112 CA -0.0071 0.0097 0.0095 889 TRP 112 C -0.0085 0.0061 0.0128 890 TRP 112 O -0.0057 0.0033 0.0141 891 TRP 112 CB -0.0076 0.0105 0.0089 892 TRP 112 CG -0.0047 0.0076 0.0103 893 TRP 112 CD1 -0.0004 0.0074 0.0091 894 TRP 112 CD2 -0.0061 0.0045 0.0133 895 TRP 112 NE1 0.0010 0.0043 0.0111 896 TRP 112 CE2 -0.0024 0.0024 0.0137 897 TRP 112 CE3 -0.0100 0.0032 0.0156 898 TRP 112 CZ2 -0.0026 -0.0008 0.0164 899 TRP 112 CZ3 -0.0102 -0.0000 0.0182 900 TRP 112 CH2 -0.0065 -0.0020 0.0186 901 ARG 113 N -0.0151 0.0023 0.0144 902 ARG 113 CA -0.0180 -0.0028 0.0164 903 ARG 113 C -0.0163 -0.0006 0.0157 904 ARG 113 O -0.0145 -0.0044 0.0185 905 ARG 113 CB -0.0262 -0.0046 0.0144 906 ARG 113 CG -0.0287 -0.0066 0.0146 907 ARG 113 CD -0.0368 -0.0081 0.0125 908 ARG 113 NE -0.0397 -0.0070 0.0108 909 ARG 113 CZ -0.0463 -0.0065 0.0081 910 ARG 113 NH1 -0.0511 -0.0070 0.0066 911 ARG 113 NH2 -0.0482 -0.0054 0.0068 912 ASN 114 N -0.0199 0.0001 0.0169 913 ASN 114 CA -0.0179 0.0011 0.0165 914 ASN 114 C -0.0088 0.0011 0.0176 915 ASN 114 O -0.0067 -0.0015 0.0196 916 ASN 114 CB -0.0209 0.0080 0.0116 917 ASN 114 CG -0.0298 0.0090 0.0098 918 ASN 114 OD1 -0.0349 0.0048 0.0119 919 ASN 114 ND2 -0.0316 0.0157 0.0051 920 ARG 115 N -0.0049 0.0041 0.0148 921 ARG 115 CA 0.0006 0.0042 0.0144 922 ARG 115 C 0.0028 0.0025 0.0169 923 ARG 115 O 0.0076 0.0021 0.0171 924 ARG 115 CB 0.0017 0.0074 0.0095 925 ARG 115 CG 0.0001 0.0094 0.0066 926 ARG 115 CD 0.0044 0.0094 0.0063 927 ARG 115 NE 0.0028 0.0116 0.0031 928 ARG 115 CZ 0.0058 0.0121 0.0022 929 ARG 115 NH1 0.0105 0.0108 0.0039 930 ARG 115 NH2 0.0042 0.0138 -0.0002 931 CYS 116 N 0.0008 0.0032 0.0177 932 CYS 116 CA 0.0026 0.0025 0.0170 933 CYS 116 C 0.0014 0.0005 0.0202 934 CYS 116 O 0.0037 -0.0016 0.0207 935 CYS 116 CB 0.0018 0.0057 0.0140 936 CYS 116 SG 0.0030 0.0084 0.0099 937 GLN 117 N -0.0024 0.0001 0.0238 938 GLN 117 CA -0.0046 -0.0067 0.0274 939 GLN 117 C -0.0021 -0.0067 0.0301 940 GLN 117 O -0.0022 -0.0029 0.0267 941 GLN 117 CB -0.0116 -0.0103 0.0231 942 GLN 117 CG -0.0145 -0.0174 0.0263 943 GLN 117 CD -0.0214 -0.0211 0.0223 944 GLN 117 OE1 -0.0244 -0.0182 0.0166 945 GLN 117 NE2 -0.0239 -0.0278 0.0255 946 ASN 118 N -0.0019 -0.0063 0.0391 947 ASN 118 CA 0.0011 -0.0063 0.0429 948 ASN 118 C 0.0083 0.0022 0.0431 949 ASN 118 O 0.0101 0.0041 0.0433 950 ASN 118 CB -0.0050 -0.0094 0.0386 951 ASN 118 CG -0.0121 -0.0183 0.0390 952 ASN 118 OD1 -0.0115 -0.0241 0.0457 953 ASN 118 ND2 -0.0189 -0.0195 0.0316 954 ARG 119 N 0.0027 -0.0026 0.0313 955 ARG 119 CA 0.0079 -0.0079 0.0282 956 ARG 119 C 0.0088 -0.0081 0.0218 957 ARG 119 O 0.0054 -0.0038 0.0186 958 ARG 119 CB 0.0090 -0.0087 0.0245 959 ARG 119 CG 0.0093 -0.0097 0.0298 960 ARG 119 CD 0.0114 -0.0114 0.0257 961 ARG 119 NE 0.0099 -0.0104 0.0303 962 ARG 119 CZ 0.0132 -0.0143 0.0319 963 ARG 119 NH1 0.0180 -0.0194 0.0308 964 ARG 119 NH2 0.0113 -0.0126 0.0350 965 ASP 120 N -0.0054 -0.0191 0.0010 966 ASP 120 CA -0.0058 -0.0213 -0.0152 967 ASP 120 C -0.0044 -0.0186 -0.0070 968 ASP 120 O -0.0116 -0.0271 0.0050 969 ASP 120 CB -0.0181 -0.0388 -0.0209 970 ASP 120 CG -0.0193 -0.0423 -0.0393 971 ASP 120 OD1 -0.0116 -0.0322 -0.0446 972 ASP 120 OD2 -0.0280 -0.0550 -0.0472 973 VAL 121 N 0.0022 -0.0095 -0.0095 974 VAL 121 CA 0.0032 -0.0064 -0.0078 975 VAL 121 C 0.0046 -0.0073 -0.0146 976 VAL 121 O 0.0060 -0.0044 -0.0143 977 VAL 121 CB 0.0062 0.0014 -0.0042 978 VAL 121 CG1 0.0044 0.0021 0.0038 979 VAL 121 CG2 0.0100 0.0062 -0.0095 980 ARG 122 N -0.0024 -0.0143 -0.0338 981 ARG 122 CA 0.0002 -0.0147 -0.0382 982 ARG 122 C -0.0048 -0.0153 -0.0324 983 ARG 122 O -0.0015 -0.0134 -0.0330 984 ARG 122 CB -0.0006 -0.0202 -0.0486 985 ARG 122 CB -0.0026 -0.0212 -0.0481 986 ARG 122 CG -0.0087 -0.0263 -0.0502 987 ARG 122 CG 0.0018 -0.0212 -0.0540 988 ARG 122 CD -0.0070 -0.0300 -0.0602 989 ARG 122 CD 0.0119 -0.0155 -0.0564 990 ARG 122 NE -0.0083 -0.0342 -0.0672 991 ARG 122 NE 0.0136 -0.0136 -0.0549 992 ARG 122 CZ -0.0062 -0.0325 -0.0666 993 ARG 122 CZ 0.0215 -0.0085 -0.0552 994 ARG 122 NH1 0.0020 -0.0268 -0.0662 995 ARG 122 NH1 0.0272 -0.0028 -0.0512 996 ARG 122 NH2 -0.0123 -0.0364 -0.0663 997 ARG 122 NH2 0.0237 -0.0091 -0.0595 998 GLN 123 N -0.0061 -0.0107 -0.0249 999 GLN 123 CA -0.0090 -0.0131 -0.0223 1000 GLN 123 C -0.0069 -0.0104 -0.0195 1001 GLN 123 O -0.0081 -0.0117 -0.0194 1002 GLN 123 CB -0.0126 -0.0158 -0.0178 1003 GLN 123 CG -0.0112 -0.0133 -0.0119 1004 GLN 123 CD -0.0144 -0.0157 -0.0080 1005 GLN 123 OE1 -0.0137 -0.0147 -0.0064 1006 GLN 123 NE2 -0.0180 -0.0189 -0.0059 1007 TYR 124 N 0.0051 0.0008 -0.0102 1008 TYR 124 CA 0.0060 0.0028 -0.0091 1009 TYR 124 C 0.0070 0.0039 -0.0124 1010 TYR 124 O 0.0072 0.0045 -0.0119 1011 TYR 124 CB 0.0073 0.0058 -0.0061 1012 TYR 124 CG 0.0064 0.0046 -0.0025 1013 TYR 124 CD1 0.0052 0.0030 0.0005 1014 TYR 124 CD2 0.0065 0.0051 -0.0019 1015 TYR 124 CE1 0.0043 0.0020 0.0038 1016 TYR 124 CE2 0.0056 0.0039 0.0014 1017 TYR 124 CZ 0.0045 0.0023 0.0042 1018 TYR 124 OH 0.0036 0.0012 0.0075 1019 VAL 125 N 0.0098 0.0067 -0.0148 1020 VAL 125 CA 0.0138 0.0079 -0.0166 1021 VAL 125 C 0.0131 0.0052 -0.0195 1022 VAL 125 O 0.0162 0.0058 -0.0213 1023 VAL 125 CB 0.0181 0.0088 -0.0190 1024 VAL 125 CG1 0.0194 0.0121 -0.0159 1025 VAL 125 CG2 0.0173 0.0055 -0.0227 1026 GLN 126 N 0.0081 -0.0006 -0.0269 1027 GLN 126 CA 0.0064 -0.0057 -0.0330 1028 GLN 126 C 0.0070 -0.0013 -0.0274 1029 GLN 126 O 0.0017 0.0035 -0.0183 1030 GLN 126 CB -0.0057 -0.0126 -0.0368 1031 GLN 126 CB -0.0048 -0.0130 -0.0377 1032 GLN 126 CG -0.0168 -0.0101 -0.0282 1033 GLN 126 CG -0.0079 -0.0158 -0.0402 1034 GLN 126 CD -0.0271 -0.0165 -0.0321 1035 GLN 126 CD -0.0006 -0.0206 -0.0501 1036 GLN 126 OE1 -0.0364 -0.0202 -0.0329 1037 GLN 126 OE1 0.0102 -0.0191 -0.0531 1038 GLN 126 NE2 -0.0251 -0.0177 -0.0347 1039 GLN 126 NE2 -0.0067 -0.0266 -0.0555 1040 GLY 127 N 0.0097 0.0003 -0.0188 1041 GLY 127 CA 0.0105 0.0029 -0.0154 1042 GLY 127 C 0.0143 0.0050 -0.0118 1043 GLY 127 O 0.0151 0.0076 -0.0085 1044 CYS 128 N 0.0118 0.0079 -0.0089 1045 CYS 128 CA 0.0113 0.0085 -0.0096 1046 CYS 128 C 0.0106 0.0095 -0.0109 1047 CYS 128 O 0.0103 0.0098 -0.0116 1048 CYS 128 CB 0.0113 0.0094 -0.0085 1049 CYS 128 SG 0.0121 0.0084 -0.0072 1050 GLY 129 N 0.0102 0.0056 -0.0114 1051 GLY 129 CA 0.0070 0.0081 -0.0143 1052 GLY 129 C 0.0036 0.0124 -0.0128 1053 GLY 129 O 0.0007 0.0146 -0.0159 1054 VAL 130 N 0.0041 0.0124 -0.0102 1055 VAL 130 CA 0.0044 0.0140 -0.0099 1056 VAL 130 C 0.0044 0.0129 -0.0104 1057 VAL 130 O 0.0047 0.0141 -0.0101 1058 VAL 130 CB 0.0033 0.0154 -0.0076 1059 VAL 130 CG1 0.0035 0.0170 -0.0070 1060 VAL 130 CG2 0.0015 0.0136 -0.0062 1061 VAL 130 OXT 0.0041 0.0109 -0.0110