1 ALA 23 N -0.0067 -0.0131 -0.0118 2 ALA 23 CA -0.0066 -0.0129 -0.0104 3 ALA 23 C -0.0060 -0.0124 -0.0099 4 ALA 23 O -0.0064 -0.0127 -0.0100 5 ALA 23 CB -0.0060 -0.0124 -0.0101 6 LEU 24 N -0.0052 -0.0117 -0.0093 7 LEU 24 CA -0.0046 -0.0112 -0.0087 8 LEU 24 C -0.0036 -0.0103 -0.0084 9 LEU 24 O -0.0028 -0.0097 -0.0091 10 LEU 24 CB -0.0051 -0.0115 -0.0075 11 LEU 24 CG -0.0046 -0.0110 -0.0068 12 LEU 24 CD1 -0.0051 -0.0114 -0.0070 13 LEU 24 CD2 -0.0045 -0.0107 -0.0054 14 HIS 25 N -0.0036 -0.0113 -0.0075 15 HIS 25 CA -0.0033 -0.0104 -0.0076 16 HIS 25 C -0.0036 -0.0095 -0.0089 17 HIS 25 O -0.0033 -0.0084 -0.0090 18 HIS 25 CB -0.0036 -0.0114 -0.0074 19 HIS 25 CG -0.0042 -0.0118 -0.0087 20 HIS 25 ND1 -0.0043 -0.0112 -0.0092 21 HIS 25 CD2 -0.0048 -0.0126 -0.0095 22 HIS 25 CE1 -0.0049 -0.0117 -0.0104 23 HIS 25 NE2 -0.0052 -0.0126 -0.0106 24 TRP 26 N -0.0042 -0.0101 -0.0100 25 TRP 26 CA -0.0046 -0.0093 -0.0113 26 TRP 26 C -0.0045 -0.0086 -0.0117 27 TRP 26 O -0.0047 -0.0078 -0.0127 28 TRP 26 CB -0.0053 -0.0104 -0.0123 29 TRP 26 CG -0.0056 -0.0098 -0.0134 30 TRP 26 CD1 -0.0062 -0.0101 -0.0147 31 TRP 26 CD2 -0.0053 -0.0090 -0.0133 32 TRP 26 NE1 -0.0063 -0.0095 -0.0154 33 TRP 26 CE2 -0.0058 -0.0088 -0.0146 34 TRP 26 CE3 -0.0047 -0.0085 -0.0123 35 TRP 26 CZ2 -0.0057 -0.0081 -0.0149 36 TRP 26 CZ3 -0.0046 -0.0077 -0.0125 37 TRP 26 CH2 -0.0051 -0.0075 -0.0138 38 ARG 27 N -0.0031 -0.0095 -0.0089 39 ARG 27 CA -0.0030 -0.0088 -0.0098 40 ARG 27 C -0.0018 -0.0077 -0.0088 41 ARG 27 O -0.0014 -0.0067 -0.0096 42 ARG 27 CB -0.0039 -0.0100 -0.0101 43 ALA 28 N -0.0013 -0.0080 -0.0071 44 ALA 28 CA -0.0002 -0.0071 -0.0061 45 ALA 28 C 0.0007 -0.0056 -0.0065 46 ALA 28 O 0.0017 -0.0045 -0.0060 47 ALA 28 CB 0.0001 -0.0079 -0.0042 48 ALA 29 N 0.0016 -0.0058 -0.0080 49 ALA 29 CA 0.0012 -0.0046 -0.0085 50 ALA 29 C 0.0009 -0.0038 -0.0092 51 ALA 29 O 0.0009 -0.0027 -0.0087 52 ALA 29 CB 0.0009 -0.0049 -0.0094 53 GLY 30 N 0.0005 -0.0044 -0.0103 54 GLY 30 CA 0.0001 -0.0037 -0.0110 55 GLY 30 C 0.0004 -0.0031 -0.0101 56 GLY 30 O 0.0001 -0.0022 -0.0105 57 ALA 31 N 0.0007 -0.0023 -0.0062 58 ALA 31 CA 0.0020 -0.0003 -0.0049 59 ALA 31 C 0.0035 0.0016 -0.0034 60 ALA 31 O 0.0037 0.0042 -0.0030 61 ALA 31 CB 0.0033 -0.0020 -0.0038 62 ALA 32 N 0.0045 0.0002 -0.0024 63 ALA 32 CA 0.0060 0.0017 -0.0009 64 ALA 32 C 0.0050 0.0046 -0.0018 65 ALA 32 O 0.0060 0.0069 -0.0007 66 ALA 32 CB 0.0068 -0.0003 -0.0002 67 THR 33 N 0.0050 0.0029 -0.0024 68 THR 33 CA 0.0030 0.0052 -0.0029 69 THR 33 C 0.0030 0.0076 -0.0015 70 THR 33 O 0.0025 0.0098 -0.0005 71 THR 33 CB 0.0008 0.0047 -0.0054 72 THR 33 OG1 0.0004 0.0049 -0.0057 73 THR 33 CG2 0.0011 0.0019 -0.0069 74 VAL 34 N 0.0036 0.0070 -0.0012 75 VAL 34 CA 0.0037 0.0092 0.0002 76 VAL 34 C 0.0054 0.0103 0.0026 77 VAL 34 O 0.0056 0.0123 0.0040 78 VAL 34 CB 0.0044 0.0082 0.0003 79 VAL 34 CG1 0.0039 0.0106 0.0012 80 VAL 34 CG2 0.0032 0.0064 -0.0020 81 LEU 35 N 0.0078 0.0102 0.0031 82 LEU 35 CA 0.0092 0.0107 0.0040 83 LEU 35 C 0.0088 0.0114 0.0040 84 LEU 35 O 0.0092 0.0127 0.0046 85 LEU 35 CB 0.0105 0.0092 0.0042 86 LEU 35 CG 0.0110 0.0083 0.0042 87 LEU 35 CD1 0.0120 0.0066 0.0041 88 LEU 35 CD2 0.0120 0.0094 0.0051 89 LEU 36 N 0.0080 0.0104 0.0032 90 LEU 36 CA 0.0075 0.0110 0.0032 91 LEU 36 C 0.0065 0.0127 0.0032 92 LEU 36 O 0.0067 0.0138 0.0037 93 LEU 36 CB 0.0066 0.0097 0.0022 94 LEU 36 CG 0.0057 0.0103 0.0020 95 LEU 36 CD1 0.0069 0.0099 0.0025 96 LEU 36 CD2 0.0043 0.0094 0.0009 97 VAL 37 N 0.0051 0.0112 0.0047 98 VAL 37 CA 0.0037 0.0128 0.0052 99 VAL 37 C 0.0047 0.0145 0.0064 100 VAL 37 O 0.0039 0.0158 0.0069 101 VAL 37 CB 0.0025 0.0131 0.0050 102 VAL 37 CG1 0.0027 0.0149 0.0061 103 VAL 37 CG2 0.0004 0.0129 0.0043 104 ILE 38 N 0.0066 0.0144 0.0068 105 ILE 38 CA 0.0077 0.0159 0.0080 106 ILE 38 C 0.0081 0.0159 0.0081 107 ILE 38 O 0.0078 0.0173 0.0088 108 ILE 38 CB 0.0096 0.0156 0.0084 109 ILE 38 CG1 0.0093 0.0164 0.0087 110 ILE 38 CG2 0.0112 0.0166 0.0093 111 ILE 38 CD1 0.0075 0.0159 0.0079 112 VAL 39 N 0.0097 0.0138 0.0073 113 VAL 39 CA 0.0094 0.0133 0.0067 114 VAL 39 C 0.0082 0.0129 0.0071 115 VAL 39 O 0.0079 0.0128 0.0072 116 VAL 39 CB 0.0096 0.0126 0.0056 117 VAL 39 CG1 0.0092 0.0120 0.0050 118 VAL 39 CG2 0.0108 0.0130 0.0051 119 LEU 40 N 0.0076 0.0127 0.0073 120 LEU 40 CA 0.0065 0.0123 0.0077 121 LEU 40 C 0.0063 0.0128 0.0086 122 LEU 40 O 0.0061 0.0127 0.0085 123 LEU 40 CB 0.0059 0.0122 0.0080 124 LEU 40 CG 0.0059 0.0117 0.0072 125 LEU 40 CD1 0.0051 0.0115 0.0075 126 LEU 40 CD2 0.0058 0.0110 0.0062 127 LEU 41 N 0.0056 0.0132 0.0108 128 LEU 41 CA 0.0055 0.0140 0.0121 129 LEU 41 C 0.0063 0.0143 0.0121 130 LEU 41 O 0.0059 0.0147 0.0129 131 LEU 41 CB 0.0060 0.0149 0.0131 132 LEU 41 CG 0.0053 0.0147 0.0132 133 LEU 41 CD1 0.0051 0.0156 0.0145 134 LEU 41 CD2 0.0037 0.0139 0.0128 135 ALA 42 N 0.0076 0.0142 0.0112 136 ALA 42 CA 0.0085 0.0144 0.0111 137 ALA 42 C 0.0077 0.0138 0.0106 138 ALA 42 O 0.0076 0.0141 0.0111 139 ALA 42 CB 0.0100 0.0143 0.0103 140 GLY 43 N 0.0082 0.0121 0.0096 141 GLY 43 CA 0.0070 0.0114 0.0088 142 GLY 43 C 0.0056 0.0108 0.0099 143 GLY 43 O 0.0046 0.0103 0.0099 144 SER 44 N 0.0055 0.0109 0.0108 145 SER 44 CA 0.0042 0.0104 0.0119 146 SER 44 C 0.0039 0.0104 0.0130 147 SER 44 O 0.0028 0.0098 0.0129 148 SER 44 CB 0.0045 0.0107 0.0130 149 SER 44 OG 0.0046 0.0106 0.0120 150 TYR 45 N 0.0044 0.0116 0.0152 151 TYR 45 CA 0.0043 0.0119 0.0165 152 TYR 45 C 0.0049 0.0120 0.0159 153 TYR 45 O 0.0055 0.0125 0.0168 154 TYR 45 CB 0.0052 0.0127 0.0179 155 TYR 45 CG 0.0046 0.0127 0.0187 156 TYR 45 CD1 0.0043 0.0123 0.0177 157 TYR 45 CD2 0.0043 0.0130 0.0204 158 TYR 45 CE1 0.0038 0.0123 0.0185 159 TYR 45 CE2 0.0038 0.0130 0.0211 160 TYR 45 CZ 0.0036 0.0127 0.0202 161 TYR 45 OH 0.0030 0.0127 0.0209 162 LEU 46 N 0.0046 0.0115 0.0144 163 LEU 46 CA 0.0051 0.0115 0.0137 164 LEU 46 C 0.0038 0.0107 0.0126 165 LEU 46 O 0.0035 0.0106 0.0126 166 LEU 46 CB 0.0067 0.0118 0.0126 167 LEU 46 CG 0.0076 0.0121 0.0124 168 LEU 46 CD1 0.0093 0.0128 0.0124 169 LEU 46 CD2 0.0072 0.0115 0.0108 170 ALA 47 N 0.0037 0.0094 0.0122 171 ALA 47 CA 0.0023 0.0086 0.0112 172 ALA 47 C 0.0008 0.0082 0.0124 173 ALA 47 O -0.0002 0.0076 0.0121 174 ALA 47 CB 0.0020 0.0083 0.0101 175 VAL 48 N 0.0008 0.0084 0.0140 176 VAL 48 CA -0.0006 0.0080 0.0153 177 VAL 48 C -0.0006 0.0081 0.0158 178 VAL 48 O -0.0017 0.0075 0.0155 179 VAL 48 CB -0.0003 0.0084 0.0170 180 VAL 48 CG1 -0.0014 0.0082 0.0185 181 VAL 48 CG2 -0.0008 0.0081 0.0167 182 LEU 49 N 0.0004 0.0094 0.0168 183 LEU 49 CA 0.0007 0.0097 0.0172 184 LEU 49 C 0.0008 0.0092 0.0157 185 LEU 49 O 0.0012 0.0094 0.0157 186 LEU 49 CB 0.0022 0.0107 0.0180 187 LEU 49 CG 0.0037 0.0112 0.0171 188 LEU 49 CD1 0.0046 0.0113 0.0160 189 LEU 49 CD2 0.0047 0.0121 0.0184 190 ALA 50 N 0.0004 0.0086 0.0143 191 ALA 50 CA 0.0004 0.0081 0.0127 192 ALA 50 C -0.0013 0.0071 0.0123 193 ALA 50 O -0.0017 0.0066 0.0114 194 ALA 50 CB 0.0014 0.0082 0.0112 195 GLU 51 N -0.0021 0.0060 0.0133 196 GLU 51 CA -0.0039 0.0051 0.0130 197 GLU 51 C -0.0050 0.0050 0.0147 198 GLU 51 O -0.0064 0.0043 0.0147 199 GLU 51 CB -0.0042 0.0047 0.0122 200 GLU 51 CG -0.0031 0.0048 0.0105 201 GLU 51 CD -0.0041 0.0039 0.0089 202 GLU 51 OE1 -0.0051 0.0034 0.0089 203 GLU 51 OE2 -0.0039 0.0036 0.0077 204 ARG 52 N -0.0045 0.0056 0.0162 205 ARG 52 CA -0.0055 0.0056 0.0180 206 ARG 52 C -0.0067 0.0051 0.0182 207 ARG 52 O -0.0081 0.0046 0.0191 208 ARG 52 CB -0.0043 0.0066 0.0195 209 ARG 52 CG -0.0052 0.0067 0.0214 210 ARG 52 CD -0.0047 0.0072 0.0226 211 ARG 52 NE -0.0062 0.0067 0.0235 212 ARG 52 CZ -0.0062 0.0070 0.0245 213 ARG 52 NH1 -0.0048 0.0078 0.0248 214 ARG 52 NH2 -0.0076 0.0065 0.0252 215 GLY 53 N -0.0070 0.0054 0.0181 216 GLY 53 CA -0.0081 0.0049 0.0183 217 GLY 53 C -0.0086 0.0043 0.0166 218 GLY 53 O -0.0079 0.0044 0.0159 219 ALA 54 N -0.0097 0.0036 0.0158 220 ALA 54 CA -0.0102 0.0029 0.0141 221 ALA 54 C -0.0116 0.0022 0.0135 222 ALA 54 O -0.0119 0.0022 0.0142 223 ALA 54 CB -0.0087 0.0033 0.0127 224 PRO 55 N -0.0125 0.0014 0.0125 225 PRO 55 CA -0.0140 0.0007 0.0113 226 PRO 55 C -0.0132 0.0008 0.0103 227 PRO 55 O -0.0143 0.0003 0.0091 228 PRO 55 CB -0.0146 0.0003 0.0097 229 PRO 55 CG -0.0140 0.0006 0.0106 230 PRO 55 CD -0.0122 0.0013 0.0118 231 GLY 56 N -0.0115 0.0014 0.0108 232 GLY 56 CA -0.0106 0.0015 0.0099 233 GLY 56 C -0.0112 0.0015 0.0108 234 GLY 56 O -0.0119 0.0016 0.0126 235 ALA 57 N -0.0095 0.0013 0.0100 236 ALA 57 CA -0.0098 0.0013 0.0109 237 ALA 57 C -0.0091 0.0020 0.0124 238 ALA 57 O -0.0084 0.0024 0.0129 239 ALA 57 CB -0.0094 0.0014 0.0098 240 GLN 58 N -0.0092 0.0020 0.0131 241 GLN 58 CA -0.0086 0.0026 0.0146 242 GLN 58 C -0.0070 0.0035 0.0147 243 GLN 58 O -0.0064 0.0041 0.0159 244 GLN 58 CB -0.0089 0.0025 0.0151 245 GLN 58 CG -0.0090 0.0027 0.0169 246 GLN 58 CD -0.0095 0.0025 0.0174 247 GLN 58 OE1 -0.0107 0.0018 0.0174 248 GLN 58 NE2 -0.0084 0.0032 0.0178 249 LEU 59 N -0.0068 0.0037 0.0129 250 LEU 59 CA -0.0049 0.0045 0.0130 251 LEU 59 C -0.0047 0.0049 0.0145 252 LEU 59 O -0.0036 0.0053 0.0144 253 LEU 59 CB -0.0040 0.0044 0.0112 254 LEU 59 CG -0.0036 0.0042 0.0097 255 LEU 59 CD1 -0.0026 0.0042 0.0081 256 LEU 59 CD2 -0.0026 0.0048 0.0105 257 ILE 60 N -0.0058 0.0048 0.0160 258 ILE 60 CA -0.0058 0.0052 0.0176 259 ILE 60 C -0.0055 0.0057 0.0192 260 ILE 60 O -0.0057 0.0060 0.0208 261 ILE 60 CB -0.0076 0.0046 0.0179 262 ILE 60 CG1 -0.0090 0.0042 0.0186 263 ILE 60 CG2 -0.0082 0.0039 0.0162 264 THR 61 N -0.0050 0.0061 0.0184 265 THR 61 CA -0.0046 0.0066 0.0199 266 THR 61 C -0.0030 0.0073 0.0194 267 THR 61 O -0.0029 0.0072 0.0180 268 THR 61 CB -0.0058 0.0060 0.0205 269 THR 61 OG1 -0.0074 0.0052 0.0204 270 THR 61 CG2 -0.0056 0.0065 0.0224 271 TYR 62 N -0.0019 0.0081 0.0205 272 TYR 62 CA -0.0004 0.0089 0.0201 273 TYR 62 C -0.0005 0.0088 0.0199 274 TYR 62 O 0.0002 0.0090 0.0187 275 TYR 62 CB 0.0007 0.0097 0.0216 276 TYR 62 CG 0.0012 0.0100 0.0216 277 TYR 62 CD1 0.0021 0.0103 0.0202 278 TYR 62 CD2 0.0007 0.0100 0.0230 279 TYR 62 CE1 0.0026 0.0105 0.0202 280 TYR 62 CE2 0.0012 0.0102 0.0230 281 TYR 62 CZ 0.0021 0.0105 0.0216 282 TYR 62 OH 0.0026 0.0107 0.0216 283 PRO 63 N -0.0003 0.0081 0.0209 284 PRO 63 CA -0.0007 0.0078 0.0206 285 PRO 63 C -0.0016 0.0069 0.0189 286 PRO 63 O -0.0019 0.0067 0.0184 287 PRO 63 CB -0.0018 0.0078 0.0224 288 PRO 63 CG -0.0017 0.0082 0.0238 289 PRO 63 CD -0.0013 0.0081 0.0226 290 ARG 64 N -0.0020 0.0065 0.0179 291 ARG 64 CA -0.0029 0.0056 0.0162 292 ARG 64 C -0.0016 0.0058 0.0145 293 ARG 64 O -0.0016 0.0054 0.0130 294 ARG 64 CB -0.0044 0.0050 0.0162 295 ALA 65 N -0.0012 0.0070 0.0142 296 ALA 65 CA 0.0001 0.0071 0.0127 297 ALA 65 C 0.0011 0.0074 0.0122 298 ALA 65 O 0.0016 0.0071 0.0106 299 ALA 65 CB 0.0012 0.0077 0.0134 300 LEU 66 N 0.0014 0.0079 0.0135 301 LEU 66 CA 0.0024 0.0081 0.0131 302 LEU 66 C 0.0017 0.0074 0.0116 303 LEU 66 O 0.0026 0.0074 0.0102 304 LEU 66 CB 0.0022 0.0085 0.0147 305 LEU 66 CG 0.0033 0.0094 0.0163 306 LEU 66 CD1 0.0035 0.0097 0.0173 307 LEU 66 CD2 0.0050 0.0098 0.0157 308 TRP 67 N 0.0024 0.0058 0.0106 309 TRP 67 CA 0.0020 0.0058 0.0096 310 TRP 67 C 0.0016 0.0058 0.0085 311 TRP 67 O 0.0016 0.0059 0.0075 312 TRP 67 CB 0.0009 0.0054 0.0101 313 TRP 67 CG 0.0002 0.0053 0.0091 314 TRP 67 CD1 -0.0009 0.0050 0.0087 315 TRP 67 CD2 0.0006 0.0055 0.0084 316 TRP 67 NE1 -0.0013 0.0050 0.0078 317 TRP 67 CE2 -0.0004 0.0053 0.0076 318 TRP 67 CE3 0.0016 0.0058 0.0083 319 TRP 67 CZ2 -0.0004 0.0054 0.0067 320 TRP 67 CZ3 0.0017 0.0059 0.0075 321 TRP 67 CH2 0.0007 0.0057 0.0067 322 TRP 68 N 0.0014 0.0057 0.0086 323 TRP 68 CA 0.0010 0.0057 0.0076 324 TRP 68 C 0.0021 0.0061 0.0069 325 TRP 68 O 0.0022 0.0063 0.0058 326 TRP 68 CB 0.0003 0.0055 0.0080 327 TRP 68 CG 0.0003 0.0056 0.0070 328 TRP 68 CD1 -0.0004 0.0055 0.0059 329 TRP 68 CD2 0.0009 0.0058 0.0070 330 TRP 68 NE1 -0.0003 0.0056 0.0052 331 TRP 68 CE2 0.0005 0.0058 0.0059 332 TRP 68 CE3 0.0017 0.0059 0.0078 333 TRP 68 CZ2 0.0010 0.0059 0.0056 334 TRP 68 CZ3 0.0022 0.0061 0.0075 335 TRP 68 CH2 0.0018 0.0061 0.0064 336 SER 69 N 0.0024 0.0069 0.0076 337 SER 69 CA 0.0038 0.0074 0.0070 338 SER 69 C 0.0042 0.0075 0.0062 339 SER 69 O 0.0047 0.0075 0.0050 340 SER 69 CB 0.0048 0.0080 0.0083 341 SER 69 OG 0.0048 0.0081 0.0088 342 VAL 70 N 0.0038 0.0074 0.0070 343 VAL 70 CA 0.0040 0.0074 0.0063 344 VAL 70 C 0.0033 0.0069 0.0049 345 VAL 70 O 0.0041 0.0070 0.0038 346 VAL 70 CB 0.0035 0.0074 0.0074 347 VAL 70 CG1 0.0038 0.0074 0.0067 348 VAL 70 CG2 0.0043 0.0079 0.0089 349 GLU 71 N 0.0032 0.0062 0.0049 350 GLU 71 CA 0.0025 0.0059 0.0038 351 GLU 71 C 0.0029 0.0060 0.0029 352 GLU 71 O 0.0031 0.0061 0.0018 353 GLU 71 CB 0.0012 0.0054 0.0041 354 THR 72 N 0.0030 0.0061 0.0032 355 THR 72 CA 0.0033 0.0062 0.0023 356 THR 72 C 0.0045 0.0067 0.0018 357 THR 72 O 0.0047 0.0067 0.0007 358 THR 72 CB 0.0033 0.0062 0.0029 359 THR 72 OG1 0.0022 0.0058 0.0034 360 THR 72 CG2 0.0037 0.0063 0.0020 361 ALA 73 N 0.0049 0.0072 0.0015 362 ALA 73 CA 0.0057 0.0074 0.0013 363 ALA 73 C 0.0056 0.0071 0.0007 364 ALA 73 O 0.0061 0.0070 0.0002 365 ALA 73 CB 0.0060 0.0078 0.0021 366 THR 74 N 0.0049 0.0069 0.0009 367 THR 74 CA 0.0047 0.0066 0.0003 368 THR 74 C 0.0044 0.0062 -0.0004 369 THR 74 O 0.0044 0.0059 -0.0010 370 THR 74 CB 0.0040 0.0065 0.0007 371 THR 74 OG1 0.0040 0.0069 0.0015 372 THR 74 CG2 0.0039 0.0063 0.0002 373 THR 75 N 0.0045 0.0068 0.0004 374 THR 75 CA 0.0041 0.0064 -0.0003 375 THR 75 C 0.0037 0.0060 -0.0002 376 THR 75 O 0.0038 0.0061 -0.0006 377 THR 75 CB 0.0044 0.0068 -0.0012 378 THR 75 OG1 0.0042 0.0066 -0.0017 379 THR 75 CG2 0.0050 0.0075 -0.0011 380 VAL 76 N 0.0034 0.0055 0.0004 381 VAL 76 CA 0.0030 0.0050 0.0006 382 VAL 76 C 0.0024 0.0043 0.0004 383 VAL 76 O 0.0020 0.0038 0.0002 384 VAL 76 CB 0.0030 0.0050 0.0015 385 VAL 76 CG1 0.0027 0.0047 0.0017 386 VAL 76 CG2 0.0036 0.0057 0.0018 387 GLY 77 N 0.0021 0.0045 0.0010 388 GLY 77 CA 0.0015 0.0040 0.0009 389 GLY 77 C 0.0010 0.0036 0.0012 390 GLY 77 O 0.0006 0.0033 0.0007 391 TYR 78 N 0.0010 0.0034 0.0020 392 TYR 78 CA 0.0005 0.0029 0.0023 393 TYR 78 C -0.0002 0.0025 0.0020 394 TYR 78 O -0.0006 0.0021 0.0018 395 TYR 78 CB 0.0006 0.0028 0.0032 396 TYR 78 CG 0.0010 0.0031 0.0035 397 TYR 78 CD1 0.0009 0.0031 0.0032 398 TYR 78 CD2 0.0015 0.0034 0.0041 399 TYR 78 CE1 0.0013 0.0033 0.0035 400 TYR 78 CE2 0.0019 0.0037 0.0044 401 TYR 78 CZ 0.0018 0.0036 0.0041 402 TYR 78 OH 0.0022 0.0039 0.0043 403 GLY 79 N -0.0020 0.0012 0.0025 404 GLY 79 CA -0.0029 0.0009 0.0024 405 GLY 79 C -0.0035 0.0010 0.0037 406 GLY 79 O -0.0041 0.0008 0.0040 407 ASP 80 N -0.0035 0.0011 0.0045 408 ASP 80 CA -0.0041 0.0012 0.0058 409 ASP 80 C -0.0036 0.0015 0.0066 410 ASP 80 O -0.0042 0.0015 0.0075 411 ASP 80 CB -0.0038 0.0014 0.0065 412 ASP 80 CG -0.0025 0.0020 0.0071 413 ASP 80 OD1 -0.0016 0.0021 0.0063 414 ASP 80 OD2 -0.0025 0.0022 0.0083 415 LEU 81 N -0.0059 0.0007 0.0061 416 LEU 81 CA -0.0054 0.0010 0.0066 417 LEU 81 C -0.0045 0.0013 0.0054 418 LEU 81 O -0.0039 0.0016 0.0046 419 LEU 81 CB -0.0046 0.0016 0.0079 420 LEU 81 CG -0.0053 0.0013 0.0092 421 LEU 81 CD1 -0.0043 0.0020 0.0104 422 LEU 81 CD2 -0.0063 0.0008 0.0098 423 TYR 82 N -0.0046 0.0013 0.0054 424 TYR 82 CA -0.0038 0.0017 0.0044 425 TYR 82 C -0.0038 0.0017 0.0048 426 TYR 82 O -0.0047 0.0013 0.0054 427 TYR 82 CB -0.0042 0.0013 0.0029 428 TYR 82 CG -0.0056 0.0005 0.0027 429 TYR 82 CD1 -0.0065 0.0001 0.0032 430 TYR 82 CD2 -0.0059 0.0003 0.0020 431 TYR 82 CE1 -0.0077 -0.0006 0.0030 432 TYR 82 CE2 -0.0072 -0.0005 0.0017 433 TYR 82 CZ -0.0081 -0.0009 0.0022 434 TYR 82 OH -0.0093 -0.0016 0.0019 435 PRO 83 N -0.0039 0.0022 0.0050 436 PRO 83 CA -0.0037 0.0024 0.0055 437 PRO 83 C -0.0046 0.0017 0.0043 438 PRO 83 O -0.0049 0.0012 0.0027 439 PRO 83 CB -0.0018 0.0033 0.0053 440 PRO 83 CG -0.0012 0.0032 0.0039 441 PRO 83 CD -0.0024 0.0027 0.0040 442 VAL 84 N -0.0051 0.0016 0.0051 443 VAL 84 CA -0.0060 0.0010 0.0042 444 VAL 84 C -0.0050 0.0015 0.0044 445 VAL 84 O -0.0052 0.0012 0.0034 446 VAL 84 CB -0.0078 0.0003 0.0050 447 VAL 84 CG1 -0.0089 -0.0005 0.0035 448 VAL 84 CG2 -0.0085 0.0001 0.0058 449 THR 85 N -0.0038 0.0029 0.0055 450 THR 85 CA -0.0028 0.0036 0.0057 451 THR 85 C -0.0013 0.0040 0.0042 452 THR 85 O -0.0007 0.0042 0.0038 453 THR 85 CB -0.0021 0.0045 0.0075 454 THR 85 OG1 -0.0033 0.0043 0.0089 455 THR 85 CG2 -0.0015 0.0050 0.0080 456 LEU 86 N -0.0008 0.0040 0.0033 457 LEU 86 CA 0.0005 0.0043 0.0018 458 LEU 86 C 0.0019 0.0053 0.0024 459 LEU 86 O 0.0026 0.0054 0.0015 460 LEU 86 CB 0.0011 0.0045 0.0012 461 LEU 86 CG 0.0022 0.0045 -0.0007 462 LEU 86 CD1 0.0012 0.0035 -0.0021 463 LEU 86 CD2 0.0029 0.0048 -0.0010 464 TRP 87 N 0.0026 0.0064 0.0041 465 TRP 87 CA 0.0040 0.0074 0.0049 466 TRP 87 C 0.0033 0.0072 0.0053 467 TRP 87 O 0.0043 0.0075 0.0047 468 TRP 87 CB 0.0042 0.0082 0.0067 469 TRP 87 CG 0.0058 0.0089 0.0065 470 TRP 87 CD1 0.0068 0.0100 0.0078 471 TRP 87 CD2 0.0065 0.0087 0.0048 472 TRP 87 NE1 0.0081 0.0104 0.0070 473 TRP 87 CE2 0.0079 0.0096 0.0052 474 TRP 87 CE3 0.0060 0.0078 0.0030 475 TRP 87 CZ2 0.0089 0.0097 0.0039 476 TRP 87 CZ3 0.0069 0.0078 0.0017 477 TRP 87 CH2 0.0084 0.0087 0.0022 478 GLY 88 N 0.0017 0.0067 0.0063 479 GLY 88 CA 0.0010 0.0065 0.0067 480 GLY 88 C 0.0013 0.0060 0.0050 481 GLY 88 O 0.0015 0.0061 0.0051 482 ARG 89 N 0.0007 0.0049 0.0042 483 ARG 89 CA 0.0009 0.0043 0.0023 484 ARG 89 C 0.0030 0.0055 0.0017 485 ARG 89 O 0.0033 0.0055 0.0009 486 ARG 89 CB 0.0004 0.0031 0.0004 487 ARG 89 CG -0.0016 0.0019 0.0009 488 ARG 89 CD -0.0026 0.0004 -0.0009 489 ARG 89 NE -0.0046 -0.0007 -0.0000 490 ARG 89 CZ -0.0060 -0.0021 -0.0008 491 ARG 89 NH1 -0.0056 -0.0025 -0.0025 492 ARG 89 NH2 -0.0078 -0.0030 0.0001 493 CYS 90 N 0.0042 0.0066 0.0020 494 CYS 90 CA 0.0062 0.0078 0.0015 495 CYS 90 C 0.0064 0.0086 0.0030 496 CYS 90 O 0.0070 0.0087 0.0022 497 CYS 90 CB 0.0074 0.0089 0.0019 498 CYS 90 SG 0.0083 0.0085 -0.0005 499 VAL 91 N 0.0062 0.0085 0.0040 500 VAL 91 CA 0.0063 0.0090 0.0051 501 VAL 91 C 0.0057 0.0084 0.0044 502 VAL 91 O 0.0063 0.0088 0.0046 503 VAL 91 CB 0.0055 0.0091 0.0068 504 VAL 91 CG1 0.0056 0.0096 0.0079 505 VAL 91 CG2 0.0061 0.0097 0.0074 506 ALA 92 N 0.0046 0.0074 0.0037 507 ALA 92 CA 0.0040 0.0068 0.0030 508 ALA 92 C 0.0052 0.0070 0.0017 509 ALA 92 O 0.0056 0.0072 0.0017 510 ALA 92 CB 0.0026 0.0058 0.0023 511 VAL 93 N 0.0055 0.0074 0.0007 512 VAL 93 CA 0.0066 0.0075 -0.0006 513 VAL 93 C 0.0078 0.0082 0.0000 514 VAL 93 O 0.0081 0.0082 -0.0005 515 VAL 93 CB 0.0073 0.0075 -0.0014 516 VAL 93 CG1 0.0089 0.0080 -0.0019 517 VAL 93 CG2 0.0065 0.0067 -0.0027 518 VAL 94 N 0.0084 0.0089 0.0011 519 VAL 94 CA 0.0096 0.0096 0.0018 520 VAL 94 C 0.0091 0.0096 0.0022 521 VAL 94 O 0.0098 0.0097 0.0016 522 VAL 94 CB 0.0100 0.0103 0.0031 523 VAL 94 CG1 0.0107 0.0110 0.0042 524 VAL 94 CG2 0.0110 0.0106 0.0026 525 VAL 95 N 0.0079 0.0091 0.0026 526 VAL 95 CA 0.0075 0.0091 0.0030 527 VAL 95 C 0.0073 0.0086 0.0019 528 VAL 95 O 0.0071 0.0086 0.0020 529 VAL 95 CB 0.0064 0.0090 0.0039 530 VAL 95 CG1 0.0055 0.0085 0.0033 531 VAL 95 CG2 0.0061 0.0090 0.0043 532 MET 96 N 0.0072 0.0083 0.0010 533 MET 96 CA 0.0070 0.0078 -0.0001 534 MET 96 C 0.0081 0.0080 -0.0007 535 MET 96 O 0.0082 0.0080 -0.0007 536 MET 96 CB 0.0065 0.0073 -0.0009 537 MET 96 CG 0.0052 0.0068 -0.0011 538 MET 96 SD 0.0045 0.0066 -0.0011 539 MET 96 CE 0.0040 0.0059 -0.0024 540 VAL 97 N 0.0087 0.0078 -0.0008 541 VAL 97 CA 0.0097 0.0073 -0.0013 542 VAL 97 C 0.0096 0.0077 -0.0009 543 VAL 97 O 0.0096 0.0072 -0.0014 544 VAL 97 CB 0.0110 0.0075 -0.0012 545 VAL 97 CG1 0.0110 0.0075 -0.0011 546 VAL 97 CG2 0.0116 0.0083 -0.0003 547 ALA 98 N 0.0096 0.0086 0.0000 548 ALA 98 CA 0.0095 0.0090 0.0004 549 ALA 98 C 0.0086 0.0085 -0.0001 550 ALA 98 O 0.0089 0.0083 -0.0003 551 ALA 98 CB 0.0090 0.0099 0.0014 552 GLY 99 N 0.0081 0.0080 -0.0004 553 GLY 99 CA 0.0073 0.0077 -0.0013 554 GLY 99 C 0.0076 0.0067 -0.0022 555 GLY 99 O 0.0077 0.0062 -0.0028 556 ILE 100 N 0.0079 0.0065 -0.0022 557 ILE 100 CA 0.0082 0.0057 -0.0030 558 ILE 100 C 0.0092 0.0051 -0.0030 559 ILE 100 O 0.0093 0.0043 -0.0038 560 ILE 100 CB 0.0086 0.0056 -0.0028 561 ILE 100 CG1 0.0078 0.0063 -0.0025 562 ILE 100 CG2 0.0087 0.0047 -0.0037 563 ILE 100 CD1 0.0082 0.0064 -0.0022 564 THR 101 N 0.0079 0.0038 -0.0031 565 THR 101 CA 0.0085 0.0034 -0.0031 566 THR 101 C 0.0077 0.0036 -0.0033 567 THR 101 O 0.0074 0.0027 -0.0038 568 THR 101 CB 0.0095 0.0040 -0.0024 569 THR 101 OG1 0.0105 0.0033 -0.0022 570 THR 101 CG2 0.0097 0.0042 -0.0022 571 SER 102 N 0.0073 0.0046 -0.0031 572 SER 102 CA 0.0065 0.0048 -0.0033 573 SER 102 C 0.0056 0.0040 -0.0040 574 SER 102 O 0.0053 0.0036 -0.0043 575 SER 102 CB 0.0060 0.0061 -0.0031 576 SER 102 OG 0.0047 0.0062 -0.0036 577 PHE 103 N 0.0055 0.0034 -0.0040 578 PHE 103 CA 0.0048 0.0028 -0.0043 579 PHE 103 C 0.0051 0.0019 -0.0044 580 PHE 103 O 0.0045 0.0014 -0.0046 581 PHE 103 CB 0.0044 0.0027 -0.0043 582 PHE 103 CG 0.0036 0.0034 -0.0044 583 PHE 103 CD1 0.0028 0.0032 -0.0045 584 PHE 103 CD2 0.0037 0.0041 -0.0042 585 PHE 103 CE1 0.0020 0.0038 -0.0045 586 PHE 103 CE2 0.0029 0.0047 -0.0042 587 PHE 103 CZ 0.0021 0.0045 -0.0044 588 GLY 104 N 0.0059 0.0016 -0.0043 589 GLY 104 CA 0.0063 0.0008 -0.0044 590 GLY 104 C 0.0062 0.0006 -0.0044 591 GLY 104 O 0.0059 -0.0001 -0.0046 592 LEU 105 N 0.0038 -0.0013 -0.0050 593 LEU 105 CA 0.0032 -0.0022 -0.0053 594 LEU 105 C 0.0026 -0.0024 -0.0062 595 LEU 105 O 0.0023 -0.0033 -0.0063 596 LEU 105 CB 0.0032 -0.0019 -0.0056 597 LEU 105 CG 0.0035 -0.0023 -0.0048 598 LEU 105 CD1 0.0042 -0.0014 -0.0042 599 LEU 105 CD2 0.0031 -0.0028 -0.0052 600 VAL 106 N 0.0025 -0.0016 -0.0070 601 VAL 106 CA 0.0019 -0.0018 -0.0079 602 VAL 106 C 0.0018 -0.0024 -0.0077 603 VAL 106 O 0.0013 -0.0030 -0.0082 604 VAL 106 CB 0.0019 -0.0007 -0.0086 605 VAL 106 CG1 0.0013 -0.0009 -0.0095 606 VAL 106 CG2 0.0020 -0.0002 -0.0089 607 THR 107 N 0.0028 -0.0015 -0.0075 608 THR 107 CA 0.0028 -0.0021 -0.0066 609 THR 107 C 0.0020 -0.0035 -0.0057 610 THR 107 O 0.0013 -0.0044 -0.0056 611 THR 107 CB 0.0041 -0.0014 -0.0054 612 THR 107 OG1 0.0045 -0.0005 -0.0060 613 THR 107 CG2 0.0040 -0.0024 -0.0038 614 ALA 108 N 0.0022 -0.0037 -0.0051 615 ALA 108 CA 0.0015 -0.0050 -0.0043 616 ALA 108 C 0.0002 -0.0059 -0.0054 617 ALA 108 O -0.0005 -0.0069 -0.0049 618 ALA 108 CB 0.0018 -0.0049 -0.0039 619 ALA 109 N -0.0003 -0.0062 -0.0068 620 ALA 109 CA -0.0015 -0.0069 -0.0079 621 ALA 109 C -0.0019 -0.0074 -0.0080 622 ALA 109 O -0.0028 -0.0086 -0.0078 623 ALA 109 CB -0.0015 -0.0060 -0.0094 624 LEU 110 N -0.0013 -0.0065 -0.0083 625 LEU 110 CA -0.0017 -0.0069 -0.0085 626 LEU 110 C -0.0017 -0.0078 -0.0070 627 LEU 110 O -0.0024 -0.0087 -0.0071 628 LEU 110 CB -0.0009 -0.0056 -0.0090 629 LEU 110 CG -0.0013 -0.0049 -0.0107 630 LEU 110 CD1 -0.0012 -0.0045 -0.0113 631 LEU 110 CD2 -0.0005 -0.0038 -0.0109 632 ALA 111 N -0.0015 -0.0074 -0.0060 633 ALA 111 CA -0.0013 -0.0085 -0.0042 634 ALA 111 C -0.0027 -0.0104 -0.0039 635 ALA 111 O -0.0032 -0.0116 -0.0030 636 ALA 111 CB 0.0001 -0.0080 -0.0026 637 THR 112 N -0.0033 -0.0106 -0.0046 638 THR 112 CA -0.0047 -0.0123 -0.0044 639 THR 112 C -0.0062 -0.0129 -0.0060 640 THR 112 O -0.0072 -0.0144 -0.0056 641 THR 112 CB -0.0047 -0.0123 -0.0044 642 THR 112 OG1 -0.0058 -0.0122 -0.0063 643 THR 112 CG2 -0.0031 -0.0109 -0.0039 644 TRP 113 N -0.0063 -0.0136 -0.0086 645 TRP 113 CA -0.0076 -0.0141 -0.0105 646 TRP 113 C -0.0076 -0.0144 -0.0098 647 TRP 113 O -0.0086 -0.0149 -0.0112 648 TRP 113 CB -0.0070 -0.0127 -0.0129 649 TRP 113 CG -0.0083 -0.0131 -0.0150 650 TRP 113 CD1 -0.0101 -0.0144 -0.0162 651 TRP 113 CD2 -0.0078 -0.0123 -0.0162 652 TRP 113 NE1 -0.0107 -0.0144 -0.0181 653 TRP 113 CE2 -0.0094 -0.0131 -0.0181 654 TRP 113 CE3 -0.0062 -0.0109 -0.0158 655 TRP 113 CZ2 -0.0094 -0.0126 -0.0196 656 TRP 113 CZ3 -0.0062 -0.0103 -0.0174 657 TRP 113 CH2 -0.0078 -0.0112 -0.0192 658 PHE 114 N -0.0065 -0.0140 -0.0077 659 PHE 114 CA -0.0064 -0.0143 -0.0068 660 PHE 114 C -0.0073 -0.0160 -0.0047 661 PHE 114 O -0.0078 -0.0167 -0.0039 662 PHE 114 CB -0.0043 -0.0126 -0.0059 663 PHE 114 CG -0.0036 -0.0113 -0.0079 664 PHE 114 CD1 -0.0047 -0.0115 -0.0102 665 PHE 114 CD2 -0.0018 -0.0097 -0.0074 666 PHE 114 CE1 -0.0041 -0.0103 -0.0120 667 PHE 114 CE2 -0.0011 -0.0084 -0.0092 668 PHE 114 CZ -0.0023 -0.0087 -0.0115 669 VAL 115 N -0.0079 -0.0173 -0.0044 670 VAL 115 CA -0.0091 -0.0194 -0.0019 671 VAL 115 C -0.0118 -0.0212 -0.0034 672 VAL 115 O -0.0134 -0.0232 -0.0021 673 VAL 115 CB -0.0079 -0.0191 0.0001 674 VAL 115 CG1 -0.0097 -0.0213 0.0018 675 VAL 115 CG2 -0.0056 -0.0178 0.0024 676 GLY 116 N -0.0123 -0.0205 -0.0063 677 GLY 116 CA -0.0147 -0.0221 -0.0081 678 GLY 116 C -0.0161 -0.0230 -0.0090 679 GLY 116 O -0.0177 -0.0235 -0.0114 680 ARG 117 N -0.0161 -0.0247 -0.0075 681 ARG 117 CA -0.0179 -0.0259 -0.0069 682 ARG 117 C -0.0176 -0.0277 -0.0024 683 ARG 117 O -0.0162 -0.0278 -0.0005 684 ARG 117 CB -0.0157 -0.0242 -0.0083 685 ARG 117 CG -0.0172 -0.0231 -0.0125 686 ARG 117 CD -0.0204 -0.0246 -0.0128 687 ARG 117 NE -0.0221 -0.0237 -0.0168 688 GLU 118 N -0.0190 -0.0291 -0.0009 689 GLU 118 CA -0.0190 -0.0309 0.0033 690 GLU 118 C -0.0232 -0.0333 0.0039 691 GLU 118 O -0.0239 -0.0351 0.0071 692 GLU 118 CB -0.0175 -0.0308 0.0048 693 GLU 118 CG -0.0200 -0.0313 0.0031 694 GLU 118 CD -0.0188 -0.0315 0.0050 695 GLU 118 OE1 -0.0164 -0.0317 0.0081 696 GLU 118 OE2 -0.0201 -0.0315 0.0033 697 GLN 119 N -0.0283 -0.0352 0.0017 698 GLN 119 CA -0.0331 -0.0382 0.0015 699 GLN 119 C -0.0347 -0.0395 0.0021 700 GLN 119 O -0.0373 -0.0426 0.0046 701 GLN 119 CB -0.0357 -0.0372 -0.0031 702 GLN 119 CG -0.0361 -0.0354 -0.0070 703 GLN 119 CD -0.0354 -0.0324 -0.0115 704 GLN 119 OE1 -0.0380 -0.0321 -0.0152 705 GLN 119 NE2 -0.0318 -0.0302 -0.0113 706 ALA 23 N -0.0077 -0.0146 -0.0087 707 ALA 23 CA -0.0086 -0.0153 -0.0080 708 ALA 23 C -0.0080 -0.0147 -0.0104 709 ALA 23 O -0.0085 -0.0152 -0.0129 710 ALA 23 CB -0.0077 -0.0146 -0.0051 711 LEU 24 N -0.0068 -0.0137 -0.0096 712 LEU 24 CA -0.0061 -0.0131 -0.0116 713 LEU 24 C -0.0043 -0.0116 -0.0101 714 LEU 24 O -0.0024 -0.0100 -0.0108 715 LEU 24 CB -0.0080 -0.0147 -0.0126 716 LEU 24 CG -0.0074 -0.0142 -0.0148 717 LEU 24 CD1 -0.0084 -0.0150 -0.0177 718 LEU 24 CD2 -0.0083 -0.0150 -0.0138 719 HIS 25 N -0.0041 -0.0120 -0.0080 720 HIS 25 CA -0.0032 -0.0112 -0.0070 721 HIS 25 C -0.0020 -0.0101 -0.0064 722 HIS 25 O -0.0009 -0.0091 -0.0063 723 HIS 25 CB -0.0041 -0.0118 -0.0054 724 HIS 25 CG -0.0039 -0.0116 -0.0037 725 HIS 25 ND1 -0.0031 -0.0108 -0.0024 726 HIS 25 CD2 -0.0044 -0.0119 -0.0033 727 HIS 25 CE1 -0.0031 -0.0107 -0.0011 728 HIS 25 NE2 -0.0039 -0.0114 -0.0016 729 TRP 26 N -0.0020 -0.0101 -0.0061 730 TRP 26 CA -0.0009 -0.0091 -0.0055 731 TRP 26 C -0.0002 -0.0086 -0.0070 732 TRP 26 O 0.0009 -0.0076 -0.0067 733 TRP 26 CB -0.0014 -0.0094 -0.0040 734 TRP 26 CG -0.0005 -0.0086 -0.0025 735 TRP 26 CD1 -0.0002 -0.0083 -0.0016 736 TRP 26 CD2 0.0002 -0.0079 -0.0016 737 TRP 26 NE1 0.0006 -0.0074 -0.0002 738 TRP 26 CE2 0.0009 -0.0072 -0.0002 739 TRP 26 CE3 0.0004 -0.0078 -0.0019 740 TRP 26 CZ2 0.0017 -0.0064 0.0010 741 TRP 26 CZ3 0.0012 -0.0070 -0.0008 742 TRP 26 CH2 0.0018 -0.0063 0.0006 743 ARG 27 N 0.0007 -0.0091 -0.0078 744 ARG 27 CA 0.0012 -0.0084 -0.0101 745 ARG 27 C 0.0016 -0.0077 -0.0119 746 ARG 27 O 0.0025 -0.0065 -0.0136 747 ARG 27 CB -0.0001 -0.0099 -0.0112 748 ALA 28 N 0.0010 -0.0085 -0.0117 749 ALA 28 CA 0.0014 -0.0079 -0.0133 750 ALA 28 C 0.0030 -0.0059 -0.0127 751 ALA 28 O 0.0037 -0.0049 -0.0142 752 ALA 28 CB 0.0003 -0.0093 -0.0130 753 ALA 29 N 0.0042 -0.0050 -0.0115 754 ALA 29 CA 0.0051 -0.0035 -0.0108 755 ALA 29 C 0.0063 -0.0021 -0.0115 756 ALA 29 O 0.0073 -0.0014 -0.0127 757 ALA 29 CB 0.0045 -0.0032 -0.0087 758 GLY 30 N 0.0064 -0.0016 -0.0108 759 GLY 30 CA 0.0076 -0.0003 -0.0113 760 GLY 30 C 0.0083 -0.0004 -0.0134 761 GLY 30 O 0.0095 0.0009 -0.0141 762 ALA 31 N 0.0092 -0.0023 -0.0138 763 ALA 31 CA 0.0094 -0.0023 -0.0145 764 ALA 31 C 0.0090 -0.0019 -0.0135 765 ALA 31 O 0.0088 -0.0012 -0.0140 766 ALA 31 CB 0.0102 -0.0036 -0.0150 767 ALA 32 N 0.0090 -0.0024 -0.0122 768 ALA 32 CA 0.0086 -0.0022 -0.0112 769 ALA 32 C 0.0079 -0.0007 -0.0111 770 ALA 32 O 0.0077 -0.0003 -0.0111 771 ALA 32 CB 0.0086 -0.0028 -0.0097 772 THR 33 N 0.0084 0.0001 -0.0106 773 THR 33 CA 0.0072 0.0009 -0.0106 774 THR 33 C 0.0072 0.0010 -0.0110 775 THR 33 O 0.0064 0.0013 -0.0105 776 THR 33 CB 0.0067 0.0016 -0.0116 777 THR 33 OG1 0.0071 0.0019 -0.0128 778 THR 33 CG2 0.0070 0.0013 -0.0114 779 VAL 34 N 0.0081 0.0009 -0.0120 780 VAL 34 CA 0.0081 0.0011 -0.0124 781 VAL 34 C 0.0083 0.0005 -0.0113 782 VAL 34 O 0.0083 0.0006 -0.0114 783 VAL 34 CB 0.0092 0.0009 -0.0135 784 VAL 34 CG1 0.0091 0.0013 -0.0142 785 VAL 34 CG2 0.0093 0.0013 -0.0145 786 LEU 35 N 0.0074 0.0003 -0.0087 787 LEU 35 CA 0.0075 0.0001 -0.0077 788 LEU 35 C 0.0066 0.0009 -0.0068 789 LEU 35 O 0.0061 0.0013 -0.0065 790 LEU 35 CB 0.0084 -0.0008 -0.0069 791 LEU 35 CG 0.0093 -0.0017 -0.0077 792 LEU 35 CD1 0.0101 -0.0025 -0.0069 793 LEU 35 CD2 0.0096 -0.0019 -0.0082 794 LEU 36 N 0.0063 0.0011 -0.0063 795 LEU 36 CA 0.0054 0.0018 -0.0054 796 LEU 36 C 0.0045 0.0027 -0.0061 797 LEU 36 O 0.0039 0.0032 -0.0054 798 LEU 36 CB 0.0053 0.0019 -0.0051 799 LEU 36 CG 0.0043 0.0028 -0.0044 800 LEU 36 CD1 0.0043 0.0026 -0.0029 801 LEU 36 CD2 0.0040 0.0031 -0.0046 802 VAL 37 N 0.0049 0.0016 -0.0067 803 VAL 37 CA 0.0035 0.0019 -0.0072 804 VAL 37 C 0.0031 0.0020 -0.0063 805 VAL 37 O 0.0018 0.0023 -0.0060 806 VAL 37 CB 0.0035 0.0017 -0.0089 807 VAL 37 CG1 0.0031 0.0018 -0.0092 808 VAL 37 CG2 0.0024 0.0019 -0.0098 809 ILE 38 N 0.0043 0.0018 -0.0059 810 ILE 38 CA 0.0041 0.0019 -0.0050 811 ILE 38 C 0.0035 0.0021 -0.0034 812 ILE 38 O 0.0024 0.0024 -0.0029 813 ILE 38 CB 0.0055 0.0016 -0.0048 814 ILE 38 CG1 0.0057 0.0015 -0.0062 815 ILE 38 CG2 0.0055 0.0017 -0.0033 816 ILE 38 CD1 0.0055 0.0014 -0.0077 817 VAL 39 N 0.0033 0.0027 -0.0017 818 VAL 39 CA 0.0033 0.0030 -0.0010 819 VAL 39 C 0.0026 0.0034 -0.0010 820 VAL 39 O 0.0022 0.0038 -0.0006 821 VAL 39 CB 0.0039 0.0029 -0.0007 822 VAL 39 CG1 0.0038 0.0033 0.0000 823 VAL 39 CG2 0.0045 0.0026 -0.0007 824 LEU 40 N 0.0025 0.0032 -0.0014 825 LEU 40 CA 0.0019 0.0035 -0.0015 826 LEU 40 C 0.0013 0.0038 -0.0015 827 LEU 40 O 0.0010 0.0042 -0.0010 828 LEU 40 CB 0.0018 0.0033 -0.0021 829 LEU 40 CG 0.0024 0.0030 -0.0021 830 LEU 40 CD1 0.0021 0.0029 -0.0026 831 LEU 40 CD2 0.0026 0.0032 -0.0014 832 LEU 41 N 0.0014 0.0025 -0.0021 833 LEU 41 CA 0.0005 0.0027 -0.0020 834 LEU 41 C 0.0005 0.0031 -0.0012 835 LEU 41 O -0.0002 0.0035 -0.0009 836 LEU 41 CB 0.0003 0.0023 -0.0027 837 LEU 41 CG 0.0003 0.0017 -0.0036 838 LEU 41 CD1 -0.0004 0.0015 -0.0042 839 LEU 41 CD2 0.0001 0.0017 -0.0036 840 ALA 42 N 0.0013 0.0032 -0.0009 841 ALA 42 CA 0.0015 0.0037 -0.0001 842 ALA 42 C 0.0013 0.0041 0.0006 843 ALA 42 O 0.0007 0.0045 0.0011 844 ALA 42 CB 0.0025 0.0036 0.0000 845 GLY 43 N 0.0015 0.0043 0.0010 846 GLY 43 CA 0.0016 0.0047 0.0014 847 GLY 43 C 0.0011 0.0048 0.0013 848 GLY 43 O 0.0009 0.0052 0.0017 849 SER 44 N 0.0008 0.0044 0.0009 850 SER 44 CA 0.0003 0.0045 0.0008 851 SER 44 C -0.0002 0.0048 0.0010 852 SER 44 O -0.0004 0.0052 0.0013 853 SER 44 CB 0.0001 0.0040 0.0003 854 SER 44 OG 0.0006 0.0037 0.0002 855 TYR 45 N -0.0003 0.0044 0.0008 856 TYR 45 CA -0.0009 0.0047 0.0009 857 TYR 45 C -0.0006 0.0050 0.0015 858 TYR 45 O -0.0009 0.0051 0.0015 859 TYR 45 CB -0.0011 0.0044 0.0004 860 TYR 45 CG -0.0015 0.0041 -0.0002 861 TYR 45 CD1 -0.0011 0.0038 -0.0004 862 TYR 45 CD2 -0.0021 0.0041 -0.0006 863 TYR 45 CE1 -0.0014 0.0035 -0.0010 864 TYR 45 CE2 -0.0024 0.0038 -0.0011 865 TYR 45 CZ -0.0020 0.0035 -0.0013 866 TYR 45 OH -0.0023 0.0032 -0.0019 867 LEU 46 N -0.0001 0.0052 0.0020 868 LEU 46 CA 0.0001 0.0055 0.0025 869 LEU 46 C 0.0002 0.0058 0.0031 870 LEU 46 O 0.0000 0.0063 0.0036 871 LEU 46 CB 0.0008 0.0052 0.0026 872 LEU 46 CG 0.0010 0.0055 0.0030 873 LEU 46 CD1 0.0014 0.0051 0.0027 874 LEU 46 CD2 0.0015 0.0058 0.0036 875 ALA 47 N 0.0005 0.0056 0.0031 876 ALA 47 CA 0.0005 0.0059 0.0035 877 ALA 47 C -0.0001 0.0063 0.0036 878 ALA 47 O -0.0002 0.0066 0.0040 879 ALA 47 CB 0.0008 0.0057 0.0034 880 VAL 48 N -0.0005 0.0062 0.0031 881 VAL 48 CA -0.0011 0.0064 0.0030 882 VAL 48 C -0.0013 0.0067 0.0034 883 VAL 48 O -0.0015 0.0071 0.0038 884 VAL 48 CB -0.0015 0.0063 0.0024 885 VAL 48 CG1 -0.0021 0.0066 0.0024 886 VAL 48 CG2 -0.0014 0.0060 0.0021 887 LEU 49 N -0.0015 0.0066 0.0033 888 LEU 49 CA -0.0017 0.0069 0.0036 889 LEU 49 C -0.0013 0.0070 0.0042 890 LEU 49 O -0.0014 0.0072 0.0045 891 LEU 49 CB -0.0016 0.0066 0.0032 892 LEU 49 CG -0.0009 0.0062 0.0031 893 LEU 49 CD1 -0.0006 0.0063 0.0036 894 LEU 49 CD2 -0.0010 0.0059 0.0025 895 ALA 50 N -0.0010 0.0070 0.0045 896 ALA 50 CA -0.0007 0.0071 0.0051 897 ALA 50 C -0.0009 0.0075 0.0054 898 ALA 50 O -0.0009 0.0077 0.0060 899 ALA 50 CB -0.0000 0.0068 0.0051 900 GLU 51 N -0.0010 0.0072 0.0050 901 GLU 51 CA -0.0013 0.0075 0.0053 902 GLU 51 C -0.0019 0.0078 0.0051 903 GLU 51 O -0.0022 0.0082 0.0054 904 GLU 51 CB -0.0010 0.0073 0.0052 905 GLU 51 CG -0.0004 0.0069 0.0054 906 GLU 51 CD -0.0002 0.0071 0.0059 907 GLU 51 OE1 -0.0003 0.0070 0.0058 908 GLU 51 OE2 0.0001 0.0072 0.0064 909 ARG 52 N -0.0021 0.0077 0.0045 910 ARG 52 CA -0.0027 0.0080 0.0042 911 ARG 52 C -0.0031 0.0085 0.0046 912 ARG 52 O -0.0035 0.0088 0.0045 913 ARG 52 CB -0.0029 0.0078 0.0037 914 ARG 52 CG -0.0035 0.0080 0.0033 915 ARG 52 CD -0.0036 0.0077 0.0027 916 ARG 52 NE -0.0040 0.0079 0.0025 917 ARG 52 CZ -0.0042 0.0077 0.0020 918 ARG 52 NH1 -0.0040 0.0073 0.0015 919 ARG 52 NH2 -0.0046 0.0079 0.0018 920 GLY 53 N -0.0031 0.0089 0.0053 921 GLY 53 CA -0.0034 0.0094 0.0057 922 GLY 53 C -0.0031 0.0096 0.0063 923 GLY 53 O -0.0028 0.0097 0.0066 924 ALA 54 N -0.0030 0.0096 0.0064 925 ALA 54 CA -0.0026 0.0098 0.0070 926 ALA 54 C -0.0026 0.0098 0.0070 927 ALA 54 O -0.0028 0.0096 0.0066 928 ALA 54 CB -0.0020 0.0095 0.0071 929 PRO 55 N -0.0023 0.0102 0.0073 930 PRO 55 CA -0.0020 0.0103 0.0076 931 PRO 55 C -0.0015 0.0096 0.0074 932 PRO 55 O -0.0012 0.0096 0.0077 933 PRO 55 CB -0.0016 0.0107 0.0084 934 PRO 55 CG -0.0019 0.0111 0.0085 935 PRO 55 CD -0.0021 0.0105 0.0078 936 GLY 56 N -0.0015 0.0089 0.0068 937 GLY 56 CA -0.0010 0.0082 0.0066 938 GLY 56 C -0.0013 0.0080 0.0061 939 GLY 56 O -0.0020 0.0083 0.0057 940 ALA 57 N -0.0007 0.0068 0.0049 941 ALA 57 CA -0.0008 0.0069 0.0048 942 ALA 57 C -0.0009 0.0068 0.0043 943 ALA 57 O -0.0010 0.0067 0.0040 944 ALA 57 CB -0.0006 0.0065 0.0052 945 GLN 58 N -0.0009 0.0068 0.0043 946 GLN 58 CA -0.0010 0.0067 0.0039 947 GLN 58 C -0.0011 0.0062 0.0036 948 GLN 58 O -0.0012 0.0061 0.0032 949 GLN 58 CB -0.0010 0.0067 0.0040 950 GLN 58 CG -0.0011 0.0069 0.0035 951 GLN 58 CD -0.0011 0.0070 0.0037 952 GLN 58 OE1 -0.0010 0.0074 0.0039 953 GLN 58 NE2 -0.0011 0.0066 0.0035 954 LEU 59 N -0.0010 0.0067 0.0041 955 LEU 59 CA -0.0007 0.0063 0.0038 956 LEU 59 C -0.0012 0.0065 0.0037 957 LEU 59 O -0.0010 0.0065 0.0039 958 LEU 59 CB -0.0001 0.0062 0.0043 959 LEU 59 CG 0.0004 0.0058 0.0043 960 LEU 59 CD1 0.0010 0.0056 0.0048 961 LEU 59 CD2 0.0004 0.0053 0.0037 962 ILE 60 N -0.0017 0.0068 0.0035 963 ILE 60 CA -0.0022 0.0071 0.0033 964 ILE 60 C -0.0026 0.0068 0.0026 965 ILE 60 O -0.0031 0.0070 0.0024 966 ILE 60 CB -0.0027 0.0076 0.0037 967 ILE 60 CG1 -0.0030 0.0077 0.0034 968 ILE 60 CG2 -0.0023 0.0079 0.0043 969 THR 61 N -0.0021 0.0070 0.0022 970 THR 61 CA -0.0024 0.0066 0.0017 971 THR 61 C -0.0020 0.0061 0.0014 972 THR 61 O -0.0015 0.0058 0.0016 973 THR 61 CB -0.0026 0.0066 0.0015 974 THR 61 OG1 -0.0029 0.0072 0.0019 975 THR 61 CG2 -0.0031 0.0064 0.0010 976 TYR 62 N -0.0022 0.0058 0.0011 977 TYR 62 CA -0.0019 0.0053 0.0008 978 TYR 62 C -0.0017 0.0049 0.0006 979 TYR 62 O -0.0011 0.0046 0.0006 980 TYR 62 CB -0.0023 0.0051 0.0004 981 TYR 62 CG -0.0024 0.0054 0.0006 982 TYR 62 CD1 -0.0019 0.0054 0.0009 983 TYR 62 CD2 -0.0030 0.0058 0.0005 984 TYR 62 CE1 -0.0020 0.0057 0.0011 985 TYR 62 CE2 -0.0031 0.0061 0.0007 986 TYR 62 CZ -0.0026 0.0060 0.0010 987 TYR 62 OH -0.0027 0.0063 0.0012 988 PRO 63 N -0.0017 0.0048 0.0003 989 PRO 63 CA -0.0015 0.0043 0.0001 990 PRO 63 C -0.0008 0.0044 0.0007 991 PRO 63 O -0.0005 0.0040 0.0006 992 PRO 63 CB -0.0021 0.0045 -0.0003 993 PRO 63 CG -0.0028 0.0049 -0.0005 994 PRO 63 CD -0.0025 0.0053 0.0000 995 ARG 64 N -0.0006 0.0050 0.0012 996 ARG 64 CA -0.0000 0.0052 0.0018 997 ARG 64 C 0.0006 0.0049 0.0022 998 ARG 64 O 0.0012 0.0046 0.0025 999 ARG 64 CB -0.0003 0.0060 0.0022 1000 ALA 65 N 0.0002 0.0054 0.0016 1001 ALA 65 CA 0.0007 0.0052 0.0019 1002 ALA 65 C 0.0010 0.0045 0.0017 1003 ALA 65 O 0.0016 0.0042 0.0020 1004 ALA 65 CB 0.0005 0.0053 0.0018 1005 LEU 66 N 0.0007 0.0041 0.0011 1006 LEU 66 CA 0.0010 0.0035 0.0008 1007 LEU 66 C 0.0015 0.0033 0.0012 1008 LEU 66 O 0.0020 0.0030 0.0014 1009 LEU 66 CB 0.0006 0.0033 0.0003 1010 LEU 66 CG 0.0001 0.0031 -0.0003 1011 LEU 66 CD1 -0.0001 0.0027 -0.0008 1012 LEU 66 CD2 0.0004 0.0029 -0.0002 1013 TRP 67 N 0.0029 0.0028 0.0047 1014 TRP 67 CA 0.0035 0.0026 0.0050 1015 TRP 67 C 0.0037 0.0029 0.0047 1016 TRP 67 O 0.0040 0.0028 0.0049 1017 TRP 67 CB 0.0042 0.0026 0.0052 1018 TRP 67 CG 0.0048 0.0026 0.0053 1019 TRP 67 CD1 0.0054 0.0030 0.0051 1020 TRP 67 CD2 0.0050 0.0022 0.0058 1021 TRP 67 NE1 0.0059 0.0028 0.0053 1022 TRP 67 CE2 0.0057 0.0023 0.0058 1023 TRP 67 CE3 0.0047 0.0017 0.0062 1024 TRP 67 CZ2 0.0061 0.0020 0.0062 1025 TRP 67 CZ3 0.0051 0.0014 0.0066 1026 TRP 67 CH2 0.0057 0.0016 0.0066 1027 TRP 68 N 0.0035 0.0034 0.0042 1028 TRP 68 CA 0.0036 0.0037 0.0039 1029 TRP 68 C 0.0031 0.0036 0.0039 1030 TRP 68 O 0.0032 0.0036 0.0039 1031 TRP 68 CB 0.0036 0.0043 0.0034 1032 TRP 68 CG 0.0036 0.0046 0.0030 1033 TRP 68 CD1 0.0041 0.0048 0.0029 1034 TRP 68 CD2 0.0030 0.0048 0.0027 1035 TRP 68 NE1 0.0038 0.0051 0.0026 1036 TRP 68 CE2 0.0031 0.0051 0.0024 1037 TRP 68 CE3 0.0023 0.0048 0.0025 1038 TRP 68 CZ2 0.0027 0.0054 0.0020 1039 TRP 68 CZ3 0.0018 0.0050 0.0022 1040 TRP 68 CH2 0.0020 0.0053 0.0019 1041 SER 69 N 0.0039 0.0047 0.0015 1042 SER 69 CA 0.0033 0.0049 0.0015 1043 SER 69 C 0.0032 0.0048 0.0019 1044 SER 69 O 0.0028 0.0049 0.0018 1045 SER 69 CB 0.0029 0.0049 0.0018 1046 SER 69 OG 0.0029 0.0050 0.0014 1047 VAL 70 N 0.0035 0.0046 0.0025 1048 VAL 70 CA 0.0034 0.0045 0.0029 1049 VAL 70 C 0.0036 0.0045 0.0026 1050 VAL 70 O 0.0033 0.0046 0.0026 1051 VAL 70 CB 0.0038 0.0042 0.0035 1052 VAL 70 CG1 0.0037 0.0041 0.0039 1053 VAL 70 CG2 0.0035 0.0042 0.0038 1054 GLU 71 N 0.0039 0.0045 0.0028 1055 GLU 71 CA 0.0039 0.0044 0.0023 1056 GLU 71 C 0.0037 0.0048 0.0021 1057 GLU 71 O 0.0036 0.0050 0.0018 1058 GLU 71 CB 0.0040 0.0040 0.0022 1059 THR 72 N 0.0037 0.0048 0.0022 1060 THR 72 CA 0.0036 0.0051 0.0020 1061 THR 72 C 0.0034 0.0056 0.0020 1062 THR 72 O 0.0033 0.0058 0.0017 1063 THR 72 CB 0.0036 0.0051 0.0022 1064 THR 72 OG1 0.0038 0.0047 0.0021 1065 THR 72 CG2 0.0035 0.0054 0.0019 1066 ALA 73 N 0.0043 0.0058 0.0001 1067 ALA 73 CA 0.0043 0.0058 0.0001 1068 ALA 73 C 0.0040 0.0060 0.0003 1069 ALA 73 O 0.0038 0.0059 0.0003 1070 ALA 73 CB 0.0046 0.0060 0.0000 1071 THR 74 N 0.0039 0.0063 0.0004 1072 THR 74 CA 0.0037 0.0066 0.0005 1073 THR 74 C 0.0033 0.0063 0.0006 1074 THR 74 O 0.0030 0.0064 0.0007 1075 THR 74 CB 0.0037 0.0069 0.0006 1076 THR 74 OG1 0.0040 0.0071 0.0005 1077 THR 74 CG2 0.0034 0.0072 0.0007 1078 THR 75 N 0.0043 0.0062 0.0014 1079 THR 75 CA 0.0039 0.0058 0.0010 1080 THR 75 C 0.0035 0.0058 0.0007 1081 THR 75 O 0.0032 0.0061 0.0003 1082 THR 75 CB 0.0037 0.0061 0.0008 1083 THR 75 OG1 0.0032 0.0061 0.0004 1084 THR 75 CG2 0.0039 0.0068 0.0010 1085 VAL 76 N 0.0036 0.0054 0.0008 1086 VAL 76 CA 0.0033 0.0052 0.0004 1087 VAL 76 C 0.0032 0.0045 0.0004 1088 VAL 76 O 0.0029 0.0043 0.0000 1089 VAL 76 CB 0.0035 0.0054 0.0007 1090 VAL 76 CG1 0.0032 0.0055 0.0003 1091 VAL 76 CG2 0.0037 0.0061 0.0009 1092 GLY 77 N 0.0030 0.0041 0.0015 1093 GLY 77 CA 0.0031 0.0031 0.0013 1094 GLY 77 C 0.0031 0.0021 0.0009 1095 GLY 77 O 0.0028 0.0018 0.0000 1096 TYR 78 N 0.0034 0.0017 0.0016 1097 TYR 78 CA 0.0034 0.0008 0.0013 1098 TYR 78 C 0.0034 -0.0002 0.0009 1099 TYR 78 O 0.0032 -0.0008 0.0002 1100 TYR 78 CB 0.0039 0.0005 0.0022 1101 TYR 78 CG 0.0038 0.0011 0.0023 1102 TYR 78 CD1 0.0034 0.0011 0.0014 1103 TYR 78 CD2 0.0041 0.0016 0.0032 1104 TYR 78 CE1 0.0033 0.0017 0.0014 1105 TYR 78 CE2 0.0040 0.0022 0.0032 1106 TYR 78 CZ 0.0036 0.0023 0.0023 1107 TYR 78 OH 0.0035 0.0029 0.0023 1108 GLY 79 N 0.0027 0.0012 0.0024 1109 GLY 79 CA 0.0027 0.0008 0.0022 1110 GLY 79 C 0.0031 0.0006 0.0024 1111 GLY 79 O 0.0032 0.0002 0.0024 1112 ASP 80 N 0.0032 0.0007 0.0027 1113 ASP 80 CA 0.0035 0.0005 0.0029 1114 ASP 80 C 0.0038 0.0004 0.0031 1115 ASP 80 O 0.0040 0.0001 0.0032 1116 ASP 80 CB 0.0037 0.0008 0.0032 1117 ASP 80 CG 0.0038 0.0011 0.0035 1118 ASP 80 OD1 0.0035 0.0014 0.0034 1119 ASP 80 OD2 0.0040 0.0010 0.0038 1120 LEU 81 N 0.0013 0.0039 0.0040 1121 LEU 81 CA 0.0014 0.0039 0.0044 1122 LEU 81 C 0.0017 0.0041 0.0045 1123 LEU 81 O 0.0018 0.0043 0.0043 1124 LEU 81 CB 0.0015 0.0040 0.0044 1125 LEU 81 CG 0.0013 0.0038 0.0044 1126 LEU 81 CD1 0.0015 0.0039 0.0044 1127 LEU 81 CD2 0.0011 0.0036 0.0046 1128 TYR 82 N 0.0017 0.0041 0.0048 1129 TYR 82 CA 0.0020 0.0042 0.0049 1130 TYR 82 C 0.0020 0.0042 0.0053 1131 TYR 82 O 0.0018 0.0039 0.0055 1132 TYR 82 CB 0.0019 0.0042 0.0048 1133 TYR 82 CG 0.0017 0.0040 0.0048 1134 TYR 82 CD1 0.0014 0.0038 0.0046 1135 TYR 82 CD2 0.0017 0.0040 0.0050 1136 TYR 82 CE1 0.0012 0.0036 0.0046 1137 TYR 82 CE2 0.0014 0.0037 0.0050 1138 TYR 82 CZ 0.0012 0.0036 0.0048 1139 TYR 82 OH 0.0010 0.0034 0.0048 1140 PRO 83 N 0.0008 0.0057 0.0056 1141 PRO 83 CA 0.0006 0.0059 0.0060 1142 PRO 83 C 0.0007 0.0062 0.0066 1143 PRO 83 O 0.0010 0.0062 0.0068 1144 PRO 83 CB 0.0011 0.0058 0.0059 1145 PRO 83 CG 0.0016 0.0055 0.0058 1146 PRO 83 CD 0.0014 0.0055 0.0055 1147 VAL 84 N 0.0003 0.0065 0.0069 1148 VAL 84 CA 0.0003 0.0067 0.0075 1149 VAL 84 C 0.0004 0.0069 0.0078 1150 VAL 84 O 0.0005 0.0071 0.0083 1151 VAL 84 CB -0.0003 0.0070 0.0076 1152 VAL 84 CG1 -0.0002 0.0072 0.0081 1153 VAL 84 CG2 -0.0006 0.0068 0.0071 1154 THR 85 N -0.0001 0.0071 0.0077 1155 THR 85 CA 0.0001 0.0071 0.0079 1156 THR 85 C 0.0008 0.0068 0.0081 1157 THR 85 O 0.0011 0.0065 0.0077 1158 THR 85 CB -0.0001 0.0070 0.0073 1159 THR 85 OG1 -0.0007 0.0071 0.0070 1160 THR 85 CG2 -0.0002 0.0071 0.0076 1161 LEU 86 N 0.0010 0.0069 0.0087 1162 LEU 86 CA 0.0017 0.0066 0.0088 1163 LEU 86 C 0.0020 0.0063 0.0082 1164 LEU 86 O 0.0025 0.0060 0.0081 1165 LEU 86 CB 0.0019 0.0067 0.0094 1166 LEU 86 CG 0.0025 0.0065 0.0098 1167 LEU 86 CD1 0.0026 0.0066 0.0102 1168 LEU 86 CD2 0.0027 0.0066 0.0103 1169 TRP 87 N 0.0018 0.0065 0.0082 1170 TRP 87 CA 0.0022 0.0063 0.0076 1171 TRP 87 C 0.0020 0.0061 0.0068 1172 TRP 87 O 0.0026 0.0058 0.0064 1173 TRP 87 CB 0.0017 0.0063 0.0075 1174 TRP 87 CG 0.0022 0.0064 0.0079 1175 TRP 87 CD1 0.0022 0.0063 0.0077 1176 TRP 87 CD2 0.0027 0.0064 0.0086 1177 TRP 87 NE1 0.0027 0.0063 0.0082 1178 TRP 87 CE2 0.0030 0.0064 0.0088 1179 TRP 87 CE3 0.0030 0.0065 0.0091 1180 TRP 87 CZ2 0.0035 0.0065 0.0095 1181 TRP 87 CZ3 0.0035 0.0066 0.0098 1182 TRP 87 CH2 0.0038 0.0066 0.0100 1183 GLY 88 N 0.0013 0.0062 0.0066 1184 GLY 88 CA 0.0011 0.0060 0.0059 1185 GLY 88 C 0.0017 0.0059 0.0058 1186 GLY 88 O 0.0019 0.0056 0.0052 1187 ARG 89 N 0.0017 0.0057 0.0067 1188 ARG 89 CA 0.0020 0.0057 0.0067 1189 ARG 89 C 0.0028 0.0055 0.0065 1190 ARG 89 O 0.0031 0.0055 0.0061 1191 ARG 89 CB 0.0020 0.0057 0.0075 1192 ARG 89 CG 0.0012 0.0058 0.0077 1193 ARG 89 CD 0.0010 0.0059 0.0080 1194 ARG 89 NE 0.0003 0.0060 0.0079 1195 ARG 89 CZ -0.0001 0.0061 0.0083 1196 ARG 89 NH1 0.0001 0.0061 0.0090 1197 ARG 89 NH2 -0.0008 0.0062 0.0081 1198 CYS 90 N 0.0031 0.0055 0.0067 1199 CYS 90 CA 0.0039 0.0053 0.0065 1200 CYS 90 C 0.0039 0.0053 0.0057 1201 CYS 90 O 0.0043 0.0052 0.0053 1202 CYS 90 CB 0.0041 0.0053 0.0069 1203 CYS 90 SG 0.0046 0.0052 0.0078 1204 VAL 91 N 0.0032 0.0054 0.0048 1205 VAL 91 CA 0.0032 0.0053 0.0041 1206 VAL 91 C 0.0032 0.0053 0.0036 1207 VAL 91 O 0.0035 0.0052 0.0030 1208 VAL 91 CB 0.0025 0.0054 0.0039 1209 VAL 91 CG1 0.0024 0.0053 0.0031 1210 VAL 91 CG2 0.0025 0.0055 0.0043 1211 ALA 92 N 0.0029 0.0054 0.0039 1212 ALA 92 CA 0.0029 0.0053 0.0036 1213 ALA 92 C 0.0036 0.0052 0.0035 1214 ALA 92 O 0.0039 0.0051 0.0029 1215 ALA 92 CB 0.0024 0.0054 0.0040 1216 VAL 93 N 0.0032 0.0056 0.0041 1217 VAL 93 CA 0.0042 0.0054 0.0042 1218 VAL 93 C 0.0046 0.0051 0.0034 1219 VAL 93 O 0.0051 0.0048 0.0028 1220 VAL 93 CB 0.0046 0.0057 0.0051 1221 VAL 93 CG1 0.0056 0.0055 0.0050 1222 VAL 93 CG2 0.0048 0.0059 0.0057 1223 VAL 94 N 0.0044 0.0051 0.0034 1224 VAL 94 CA 0.0047 0.0048 0.0028 1225 VAL 94 C 0.0045 0.0046 0.0018 1226 VAL 94 O 0.0051 0.0043 0.0013 1227 VAL 94 CB 0.0043 0.0049 0.0029 1228 VAL 94 CG1 0.0043 0.0046 0.0020 1229 VAL 94 CG2 0.0048 0.0051 0.0036 1230 VAL 95 N 0.0038 0.0050 0.0017 1231 VAL 95 CA 0.0036 0.0049 0.0011 1232 VAL 95 C 0.0038 0.0048 0.0009 1233 VAL 95 O 0.0038 0.0047 0.0004 1234 VAL 95 CB 0.0029 0.0049 0.0011 1235 VAL 95 CG1 0.0027 0.0049 0.0014 1236 VAL 95 CG2 0.0028 0.0048 0.0004 1237 MET 96 N 0.0040 0.0049 0.0013 1238 MET 96 CA 0.0042 0.0049 0.0011 1239 MET 96 C 0.0048 0.0048 0.0008 1240 MET 96 O 0.0049 0.0047 0.0003 1241 MET 96 CB 0.0042 0.0050 0.0016 1242 MET 96 CG 0.0037 0.0049 0.0015 1243 MET 96 SD 0.0034 0.0051 0.0021 1244 MET 96 CE 0.0035 0.0051 0.0023 1245 VAL 97 N 0.0048 0.0038 0.0006 1246 VAL 97 CA 0.0057 0.0035 0.0003 1247 VAL 97 C 0.0057 0.0032 -0.0005 1248 VAL 97 O 0.0061 0.0029 -0.0011 1249 VAL 97 CB 0.0062 0.0037 0.0010 1250 VAL 97 CG1 0.0059 0.0041 0.0019 1251 VAL 97 CG2 0.0061 0.0036 0.0008 1252 ALA 98 N 0.0051 0.0033 -0.0007 1253 ALA 98 CA 0.0050 0.0030 -0.0015 1254 ALA 98 C 0.0050 0.0027 -0.0022 1255 ALA 98 O 0.0055 0.0024 -0.0028 1256 ALA 98 CB 0.0041 0.0031 -0.0015 1257 GLY 99 N 0.0046 0.0036 -0.0020 1258 GLY 99 CA 0.0046 0.0035 -0.0022 1259 GLY 99 C 0.0049 0.0035 -0.0022 1260 GLY 99 O 0.0051 0.0033 -0.0025 1261 ILE 100 N 0.0051 0.0035 -0.0019 1262 ILE 100 CA 0.0054 0.0035 -0.0018 1263 ILE 100 C 0.0057 0.0034 -0.0020 1264 ILE 100 O 0.0060 0.0032 -0.0021 1265 ILE 100 CB 0.0055 0.0036 -0.0014 1266 ILE 100 CG1 0.0052 0.0038 -0.0012 1267 ILE 100 CG2 0.0058 0.0036 -0.0014 1268 ILE 100 CD1 0.0052 0.0039 -0.0008 1269 THR 101 N 0.0058 0.0014 -0.0042 1270 THR 101 CA 0.0059 0.0007 -0.0045 1271 THR 101 C 0.0059 0.0005 -0.0051 1272 THR 101 O 0.0060 0.0001 -0.0050 1273 THR 101 CB 0.0059 0.0006 -0.0048 1274 THR 101 OG1 0.0061 0.0003 -0.0043 1275 THR 101 CG2 0.0059 0.0002 -0.0055 1276 SER 102 N 0.0056 0.0009 -0.0056 1277 SER 102 CA 0.0055 0.0008 -0.0062 1278 SER 102 C 0.0056 0.0007 -0.0059 1279 SER 102 O 0.0057 0.0003 -0.0062 1280 SER 102 CB 0.0052 0.0014 -0.0067 1281 SER 102 OG 0.0051 0.0016 -0.0068 1282 PHE 103 N 0.0055 0.0014 -0.0048 1283 PHE 103 CA 0.0053 0.0017 -0.0042 1284 PHE 103 C 0.0050 0.0010 -0.0036 1285 PHE 103 O 0.0049 0.0010 -0.0033 1286 PHE 103 CB 0.0052 0.0024 -0.0037 1287 PHE 103 CG 0.0055 0.0033 -0.0039 1288 PHE 103 CD1 0.0055 0.0036 -0.0038 1289 PHE 103 CD2 0.0057 0.0038 -0.0043 1290 PHE 103 CE1 0.0057 0.0044 -0.0041 1291 PHE 103 CE2 0.0059 0.0046 -0.0046 1292 PHE 103 CZ 0.0059 0.0049 -0.0045 1293 GLY 104 N 0.0049 0.0004 -0.0036 1294 GLY 104 CA 0.0046 -0.0003 -0.0031 1295 GLY 104 C 0.0046 -0.0008 -0.0033 1296 GLY 104 O 0.0044 -0.0009 -0.0028 1297 LEU 105 N 0.0042 -0.0023 -0.0062 1298 LEU 105 CA 0.0038 -0.0034 -0.0067 1299 LEU 105 C 0.0039 -0.0031 -0.0058 1300 LEU 105 O 0.0036 -0.0040 -0.0050 1301 LEU 105 CB 0.0039 -0.0034 -0.0084 1302 LEU 105 CG 0.0035 -0.0046 -0.0094 1303 LEU 105 CD1 0.0038 -0.0039 -0.0102 1304 LEU 105 CD2 0.0034 -0.0053 -0.0106 1305 VAL 106 N 0.0044 -0.0017 -0.0059 1306 VAL 106 CA 0.0045 -0.0012 -0.0051 1307 VAL 106 C 0.0043 -0.0016 -0.0034 1308 VAL 106 O 0.0041 -0.0020 -0.0027 1309 VAL 106 CB 0.0051 0.0005 -0.0052 1310 VAL 106 CG1 0.0052 0.0009 -0.0043 1311 VAL 106 CG2 0.0053 0.0009 -0.0069 1312 THR 107 N 0.0042 -0.0009 -0.0037 1313 THR 107 CA 0.0041 -0.0014 -0.0018 1314 THR 107 C 0.0030 -0.0032 -0.0017 1315 THR 107 O 0.0027 -0.0041 -0.0003 1316 THR 107 CB 0.0047 -0.0006 -0.0014 1317 THR 107 OG1 0.0057 0.0007 -0.0003 1318 THR 107 CG2 0.0041 -0.0018 -0.0004 1319 ALA 108 N 0.0023 -0.0038 -0.0033 1320 ALA 108 CA 0.0012 -0.0055 -0.0034 1321 ALA 108 C 0.0007 -0.0064 -0.0030 1322 ALA 108 O 0.0002 -0.0075 -0.0017 1323 ALA 108 CB 0.0007 -0.0059 -0.0053 1324 ALA 109 N 0.0009 -0.0069 -0.0040 1325 ALA 109 CA 0.0007 -0.0071 -0.0038 1326 ALA 109 C 0.0006 -0.0071 -0.0019 1327 ALA 109 O -0.0001 -0.0081 -0.0012 1328 ALA 109 CB 0.0015 -0.0060 -0.0048 1329 LEU 110 N 0.0014 -0.0058 -0.0010 1330 LEU 110 CA 0.0014 -0.0055 0.0008 1331 LEU 110 C 0.0006 -0.0066 0.0020 1332 LEU 110 O 0.0002 -0.0071 0.0033 1333 LEU 110 CB 0.0023 -0.0039 0.0014 1334 LEU 110 CG 0.0031 -0.0027 0.0012 1335 LEU 110 CD1 0.0033 -0.0026 -0.0008 1336 LEU 110 CD2 0.0040 -0.0012 0.0020 1337 ALA 111 N 0.0004 -0.0068 0.0012 1338 ALA 111 CA -0.0002 -0.0077 0.0022 1339 ALA 111 C -0.0018 -0.0095 0.0026 1340 ALA 111 O -0.0021 -0.0105 0.0041 1341 ALA 111 CB -0.0002 -0.0073 0.0009 1342 THR 112 N -0.0027 -0.0100 0.0011 1343 THR 112 CA -0.0042 -0.0118 0.0012 1344 THR 112 C -0.0043 -0.0123 0.0025 1345 THR 112 O -0.0052 -0.0136 0.0038 1346 THR 112 CB -0.0053 -0.0122 -0.0010 1347 THR 112 OG1 -0.0055 -0.0122 -0.0015 1348 THR 112 CG2 -0.0046 -0.0109 -0.0027 1349 TRP 113 N -0.0033 -0.0116 0.0020 1350 TRP 113 CA -0.0032 -0.0117 0.0030 1351 TRP 113 C -0.0029 -0.0118 0.0052 1352 TRP 113 O -0.0028 -0.0119 0.0064 1353 TRP 113 CB -0.0022 -0.0103 0.0023 1354 TRP 113 CG -0.0021 -0.0104 0.0032 1355 TRP 113 CD1 -0.0029 -0.0114 0.0029 1356 TRP 113 CD2 -0.0010 -0.0094 0.0046 1357 TRP 113 NE1 -0.0025 -0.0110 0.0040 1358 TRP 113 CE2 -0.0013 -0.0098 0.0050 1359 TRP 113 CE3 0.0001 -0.0082 0.0055 1360 TRP 113 CZ2 -0.0004 -0.0091 0.0063 1361 TRP 113 CZ3 0.0010 -0.0075 0.0068 1362 TRP 113 CH2 0.0007 -0.0079 0.0072 1363 PHE 114 N -0.0027 -0.0117 0.0059 1364 PHE 114 CA -0.0023 -0.0118 0.0079 1365 PHE 114 C -0.0035 -0.0133 0.0085 1366 PHE 114 O -0.0037 -0.0139 0.0102 1367 PHE 114 CB -0.0012 -0.0104 0.0083 1368 PHE 114 CG 0.0001 -0.0090 0.0089 1369 PHE 114 CD1 0.0001 -0.0090 0.0090 1370 PHE 114 CD2 0.0012 -0.0078 0.0093 1371 PHE 114 CE1 0.0013 -0.0077 0.0095 1372 PHE 114 CE2 0.0024 -0.0065 0.0099 1373 PHE 114 CZ 0.0024 -0.0064 0.0099 1374 VAL 115 N -0.0055 -0.0137 0.0073 1375 VAL 115 CA -0.0071 -0.0162 0.0078 1376 VAL 115 C -0.0093 -0.0188 0.0073 1377 VAL 115 O -0.0105 -0.0214 0.0086 1378 VAL 115 CB -0.0079 -0.0154 0.0053 1379 VAL 115 CG1 -0.0102 -0.0182 0.0048 1380 VAL 115 CG2 -0.0059 -0.0136 0.0064 1381 GLY 116 N -0.0097 -0.0181 0.0055 1382 GLY 116 CA -0.0116 -0.0204 0.0049 1383 GLY 116 C -0.0111 -0.0218 0.0080 1384 GLY 116 O -0.0118 -0.0228 0.0079 1385 ARG 117 N -0.0112 -0.0206 0.0098 1386 ARG 117 CA -0.0097 -0.0230 0.0149 1387 ARG 117 C -0.0089 -0.0253 0.0187 1388 ARG 117 O -0.0058 -0.0243 0.0231 1389 ARG 117 CB -0.0062 -0.0189 0.0170 1390 ARG 117 CG -0.0070 -0.0183 0.0151 1391 ARG 117 CD -0.0070 -0.0223 0.0189 1392 ARG 117 NE -0.0080 -0.0222 0.0170 1393 GLU 118 N -0.0116 -0.0284 0.0168 1394 GLU 118 CA -0.0114 -0.0311 0.0197 1395 GLU 118 C -0.0138 -0.0371 0.0214 1396 GLU 118 O -0.0134 -0.0401 0.0252 1397 GLU 118 CB -0.0130 -0.0302 0.0161 1398 GLU 118 CG -0.0172 -0.0330 0.0114 1399 GLU 118 CD -0.0187 -0.0327 0.0084 1400 GLU 118 OE1 -0.0168 -0.0314 0.0105 1401 GLU 118 OE2 -0.0219 -0.0338 0.0039 1402 GLN 119 N -0.0186 -0.0462 0.0220 1403 GLN 119 CA -0.0232 -0.0549 0.0245 1404 GLN 119 C -0.0194 -0.0576 0.0339 1405 GLN 119 O -0.0214 -0.0645 0.0387 1406 GLN 119 CB -0.0277 -0.0560 0.0185 1407 GLN 119 CG -0.0242 -0.0532 0.0210 1408 GLN 119 CD -0.0251 -0.0482 0.0136 1409 GLN 119 OE1 -0.0260 -0.0495 0.0137 1410 GLN 119 NE2 -0.0247 -0.0423 0.0075 1411 ALA 23 N 0.0012 -0.0162 0.0272 1412 ALA 23 CA -0.0003 -0.0165 0.0246 1413 ALA 23 C 0.0002 -0.0152 0.0224 1414 ALA 23 O 0.0002 -0.0153 0.0225 1415 ALA 23 CB -0.0001 -0.0162 0.0239 1416 LEU 24 N 0.0007 -0.0140 0.0204 1417 LEU 24 CA 0.0013 -0.0127 0.0182 1418 LEU 24 C 0.0022 -0.0112 0.0166 1419 LEU 24 O 0.0041 -0.0095 0.0167 1420 LEU 24 CB -0.0007 -0.0138 0.0164 1421 LEU 24 CG -0.0003 -0.0125 0.0140 1422 LEU 24 CD1 -0.0005 -0.0129 0.0145 1423 LEU 24 CD2 -0.0018 -0.0130 0.0115 1424 HIS 25 N 0.0008 -0.0120 0.0158 1425 HIS 25 CA 0.0015 -0.0107 0.0144 1426 HIS 25 C 0.0035 -0.0095 0.0158 1427 HIS 25 O 0.0047 -0.0080 0.0147 1428 HIS 25 CB -0.0000 -0.0117 0.0135 1429 HIS 25 CG 0.0003 -0.0122 0.0152 1430 HIS 25 ND1 0.0010 -0.0113 0.0147 1431 HIS 25 CD2 0.0000 -0.0135 0.0174 1432 HIS 25 CE1 0.0012 -0.0120 0.0165 1433 HIS 25 NE2 0.0006 -0.0133 0.0182 1434 TRP 26 N 0.0038 -0.0104 0.0182 1435 TRP 26 CA 0.0056 -0.0095 0.0197 1436 TRP 26 C 0.0071 -0.0087 0.0211 1437 TRP 26 O 0.0088 -0.0077 0.0222 1438 TRP 26 CB 0.0050 -0.0108 0.0216 1439 TRP 26 CG 0.0061 -0.0101 0.0222 1440 TRP 26 CD1 0.0068 -0.0105 0.0244 1441 TRP 26 CD2 0.0067 -0.0088 0.0205 1442 TRP 26 NE1 0.0077 -0.0096 0.0242 1443 TRP 26 CE2 0.0077 -0.0085 0.0218 1444 TRP 26 CE3 0.0064 -0.0079 0.0180 1445 TRP 26 CZ2 0.0084 -0.0074 0.0207 1446 TRP 26 CZ3 0.0071 -0.0067 0.0169 1447 TRP 26 CH2 0.0081 -0.0065 0.0182 1448 ARG 27 N 0.0059 -0.0094 0.0198 1449 ARG 27 CA 0.0065 -0.0083 0.0202 1450 ARG 27 C 0.0061 -0.0064 0.0178 1451 ARG 27 O 0.0068 -0.0046 0.0180 1452 ARG 27 CB 0.0060 -0.0106 0.0210 1453 ALA 28 N 0.0049 -0.0068 0.0154 1454 ALA 28 CA 0.0045 -0.0051 0.0129 1455 ALA 28 C 0.0055 -0.0021 0.0129 1456 ALA 28 O 0.0055 -0.0001 0.0113 1457 ALA 28 CB 0.0030 -0.0063 0.0104 1458 ALA 29 N 0.0065 -0.0025 0.0136 1459 ALA 29 CA 0.0068 -0.0005 0.0143 1460 ALA 29 C 0.0071 0.0015 0.0163 1461 ALA 29 O 0.0073 0.0038 0.0156 1462 ALA 29 CB 0.0066 -0.0020 0.0156 1463 GLY 30 N 0.0071 0.0006 0.0187 1464 GLY 30 CA 0.0073 0.0024 0.0207 1465 GLY 30 C 0.0075 0.0043 0.0195 1466 GLY 30 O 0.0078 0.0064 0.0206 1467 ALA 31 N 0.0048 0.0048 0.0167 1468 ALA 31 CA 0.0046 0.0070 0.0145 1469 ALA 31 C 0.0044 0.0092 0.0123 1470 ALA 31 O 0.0041 0.0121 0.0118 1471 ALA 31 CB 0.0049 0.0051 0.0124 1472 ALA 32 N 0.0047 0.0077 0.0109 1473 ALA 32 CA 0.0045 0.0095 0.0087 1474 ALA 32 C 0.0041 0.0126 0.0103 1475 ALA 32 O 0.0038 0.0153 0.0087 1476 ALA 32 CB 0.0048 0.0073 0.0078 1477 THR 33 N 0.0038 0.0115 0.0117 1478 THR 33 CA 0.0031 0.0135 0.0131 1479 THR 33 C 0.0027 0.0160 0.0126 1480 THR 33 O 0.0023 0.0180 0.0121 1481 THR 33 CB 0.0026 0.0129 0.0160 1482 THR 33 OG1 0.0023 0.0134 0.0170 1483 THR 33 CG2 0.0031 0.0101 0.0166 1484 VAL 34 N 0.0027 0.0159 0.0126 1485 VAL 34 CA 0.0023 0.0182 0.0120 1486 VAL 34 C 0.0026 0.0193 0.0094 1487 VAL 34 O 0.0024 0.0213 0.0086 1488 VAL 34 CB 0.0024 0.0176 0.0121 1489 VAL 34 CG1 0.0018 0.0201 0.0123 1490 VAL 34 CG2 0.0023 0.0159 0.0144 1491 LEU 35 N 0.0022 0.0178 0.0090 1492 LEU 35 CA 0.0035 0.0184 0.0071 1493 LEU 35 C 0.0038 0.0187 0.0067 1494 LEU 35 O 0.0045 0.0204 0.0059 1495 LEU 35 CB 0.0041 0.0165 0.0057 1496 LEU 35 CG 0.0038 0.0159 0.0060 1497 LEU 35 CD1 0.0041 0.0137 0.0049 1498 LEU 35 CD2 0.0045 0.0177 0.0052 1499 LEU 36 N 0.0032 0.0172 0.0073 1500 LEU 36 CA 0.0034 0.0174 0.0070 1501 LEU 36 C 0.0031 0.0195 0.0079 1502 LEU 36 O 0.0038 0.0207 0.0071 1503 LEU 36 CB 0.0026 0.0155 0.0078 1504 LEU 36 CG 0.0026 0.0157 0.0079 1505 LEU 36 CD1 0.0036 0.0150 0.0060 1506 LEU 36 CD2 0.0014 0.0144 0.0095 1507 VAL 37 N 0.0011 0.0193 0.0098 1508 VAL 37 CA -0.0002 0.0201 0.0100 1509 VAL 37 C 0.0007 0.0215 0.0094 1510 VAL 37 O 0.0002 0.0218 0.0095 1511 VAL 37 CB -0.0017 0.0210 0.0102 1512 VAL 37 CG1 -0.0019 0.0230 0.0099 1513 VAL 37 CG2 -0.0033 0.0201 0.0109 1514 ILE 38 N 0.0020 0.0223 0.0089 1515 ILE 38 CA 0.0029 0.0236 0.0083 1516 ILE 38 C 0.0039 0.0226 0.0083 1517 ILE 38 O 0.0038 0.0230 0.0082 1518 ILE 38 CB 0.0041 0.0246 0.0078 1519 ILE 38 CG1 0.0031 0.0262 0.0077 1520 ILE 38 CG2 0.0056 0.0252 0.0072 1521 ILE 38 CD1 0.0014 0.0258 0.0083 1522 VAL 39 N 0.0027 0.0205 0.0088 1523 VAL 39 CA 0.0038 0.0193 0.0088 1524 VAL 39 C 0.0037 0.0180 0.0082 1525 VAL 39 O 0.0048 0.0174 0.0085 1526 VAL 39 CB 0.0036 0.0187 0.0085 1527 VAL 39 CG1 0.0047 0.0173 0.0084 1528 VAL 39 CG2 0.0039 0.0199 0.0091 1529 LEU 40 N 0.0024 0.0177 0.0075 1530 LEU 40 CA 0.0022 0.0166 0.0069 1531 LEU 40 C 0.0029 0.0168 0.0074 1532 LEU 40 O 0.0041 0.0162 0.0076 1533 LEU 40 CB 0.0006 0.0166 0.0062 1534 LEU 40 CG -0.0003 0.0162 0.0057 1535 LEU 40 CD1 -0.0017 0.0158 0.0048 1536 LEU 40 CD2 0.0006 0.0150 0.0055 1537 LEU 41 N 0.0011 0.0179 0.0080 1538 LEU 41 CA 0.0016 0.0179 0.0084 1539 LEU 41 C 0.0037 0.0180 0.0099 1540 LEU 41 O 0.0045 0.0171 0.0103 1541 LEU 41 CB 0.0005 0.0200 0.0081 1542 LEU 41 CG -0.0016 0.0202 0.0065 1543 LEU 41 CD1 -0.0026 0.0213 0.0061 1544 LEU 41 CD2 -0.0023 0.0179 0.0055 1545 ALA 42 N 0.0045 0.0190 0.0108 1546 ALA 42 CA 0.0065 0.0192 0.0124 1547 ALA 42 C 0.0077 0.0169 0.0127 1548 ALA 42 O 0.0089 0.0162 0.0134 1549 ALA 42 CB 0.0070 0.0209 0.0132 1550 GLY 43 N 0.0059 0.0155 0.0125 1551 GLY 43 CA 0.0070 0.0134 0.0125 1552 GLY 43 C 0.0072 0.0113 0.0114 1553 GLY 43 O 0.0086 0.0096 0.0119 1554 SER 44 N 0.0059 0.0114 0.0097 1555 SER 44 CA 0.0059 0.0095 0.0085 1556 SER 44 C 0.0074 0.0087 0.0098 1557 SER 44 O 0.0086 0.0068 0.0101 1558 SER 44 CB 0.0043 0.0103 0.0069 1559 SER 44 OG 0.0029 0.0107 0.0054 1560 TYR 45 N 0.0075 0.0102 0.0115 1561 TYR 45 CA 0.0091 0.0093 0.0132 1562 TYR 45 C 0.0107 0.0094 0.0158 1563 TYR 45 O 0.0116 0.0099 0.0177 1564 TYR 45 CB 0.0084 0.0108 0.0135 1565 TYR 45 CG 0.0069 0.0106 0.0110 1566 TYR 45 CD1 0.0053 0.0109 0.0089 1567 TYR 45 CD2 0.0070 0.0101 0.0108 1568 TYR 45 CE1 0.0039 0.0107 0.0066 1569 TYR 45 CE2 0.0057 0.0099 0.0085 1570 TYR 45 CZ 0.0041 0.0102 0.0064 1571 TYR 45 OH 0.0028 0.0101 0.0042 1572 LEU 46 N 0.0110 0.0090 0.0159 1573 LEU 46 CA 0.0125 0.0090 0.0182 1574 LEU 46 C 0.0135 0.0068 0.0178 1575 LEU 46 O 0.0152 0.0056 0.0194 1576 LEU 46 CB 0.0117 0.0117 0.0194 1577 LEU 46 CG 0.0132 0.0123 0.0222 1578 LEU 46 CD1 0.0123 0.0152 0.0234 1579 LEU 46 CD2 0.0140 0.0116 0.0228 1580 ALA 47 N 0.0116 0.0060 0.0161 1581 ALA 47 CA 0.0124 0.0039 0.0152 1582 ALA 47 C 0.0137 0.0015 0.0147 1583 ALA 47 O 0.0153 -0.0003 0.0152 1584 ALA 47 CB 0.0107 0.0040 0.0128 1585 VAL 48 N 0.0130 0.0015 0.0137 1586 VAL 48 CA 0.0141 -0.0007 0.0132 1587 VAL 48 C 0.0162 -0.0013 0.0156 1588 VAL 48 O 0.0177 -0.0034 0.0158 1589 VAL 48 CB 0.0131 -0.0002 0.0122 1590 VAL 48 CG1 0.0146 -0.0021 0.0124 1591 VAL 48 CG2 0.0113 -0.0002 0.0094 1592 LEU 49 N 0.0166 0.0000 0.0179 1593 LEU 49 CA 0.0183 -0.0006 0.0204 1594 LEU 49 C 0.0194 -0.0009 0.0219 1595 LEU 49 O 0.0208 -0.0011 0.0242 1596 LEU 49 CB 0.0180 0.0016 0.0221 1597 LEU 49 CG 0.0166 0.0044 0.0225 1598 LEU 49 CD1 0.0177 0.0051 0.0251 1599 LEU 49 CD2 0.0157 0.0062 0.0227 1600 ALA 50 N 0.0187 -0.0010 0.0206 1601 ALA 50 CA 0.0196 -0.0013 0.0218 1602 ALA 50 C 0.0203 -0.0040 0.0203 1603 ALA 50 O 0.0216 -0.0051 0.0213 1604 ALA 50 CB 0.0182 0.0009 0.0217 1605 GLU 51 N 0.0188 -0.0042 0.0184 1606 GLU 51 CA 0.0195 -0.0068 0.0163 1607 GLU 51 C 0.0207 -0.0091 0.0156 1608 GLU 51 O 0.0222 -0.0116 0.0150 1609 GLU 51 CB 0.0175 -0.0064 0.0133 1610 GLU 51 CG 0.0161 -0.0041 0.0136 1611 GLU 51 CD 0.0159 -0.0053 0.0120 1612 GLU 51 OE1 0.0149 -0.0062 0.0091 1613 GLU 51 OE2 0.0169 -0.0054 0.0135 1614 ARG 52 N 0.0201 -0.0081 0.0157 1615 ARG 52 CA 0.0211 -0.0100 0.0151 1616 ARG 52 C 0.0235 -0.0128 0.0159 1617 ARG 52 O 0.0241 -0.0150 0.0142 1618 ARG 52 CB 0.0209 -0.0084 0.0168 1619 ARG 52 CG 0.0219 -0.0101 0.0163 1620 ARG 52 CD 0.0201 -0.0088 0.0149 1621 ARG 52 NE 0.0200 -0.0108 0.0122 1622 ARG 52 CZ 0.0185 -0.0102 0.0104 1623 ARG 52 NH1 0.0170 -0.0076 0.0110 1624 ARG 52 NH2 0.0185 -0.0122 0.0080 1625 GLY 53 N 0.0263 -0.0131 0.0184 1626 GLY 53 CA 0.0286 -0.0156 0.0192 1627 GLY 53 C 0.0294 -0.0165 0.0195 1628 GLY 53 O 0.0305 -0.0159 0.0219 1629 ALA 54 N 0.0288 -0.0179 0.0171 1630 ALA 54 CA 0.0294 -0.0188 0.0171 1631 ALA 54 C 0.0285 -0.0203 0.0140 1632 ALA 54 O 0.0271 -0.0203 0.0119 1633 ALA 54 CB 0.0285 -0.0163 0.0185 1634 PRO 55 N 0.0299 -0.0215 0.0144 1635 PRO 55 CA 0.0292 -0.0232 0.0107 1636 PRO 55 C 0.0259 -0.0212 0.0083 1637 PRO 55 O 0.0251 -0.0222 0.0053 1638 PRO 55 CB 0.0306 -0.0242 0.0114 1639 PRO 55 CG 0.0329 -0.0243 0.0152 1640 PRO 55 CD 0.0318 -0.0217 0.0172 1641 GLY 56 N 0.0242 -0.0184 0.0095 1642 GLY 56 CA 0.0210 -0.0164 0.0075 1643 GLY 56 C 0.0197 -0.0168 0.0046 1644 GLY 56 O 0.0209 -0.0182 0.0045 1645 ALA 57 N 0.0163 -0.0149 0.0050 1646 ALA 57 CA 0.0149 -0.0150 0.0028 1647 ALA 57 C 0.0143 -0.0139 0.0030 1648 ALA 57 O 0.0152 -0.0132 0.0050 1649 ALA 57 CB 0.0132 -0.0138 0.0014 1650 GLN 58 N 0.0129 -0.0136 0.0011 1651 GLN 58 CA 0.0122 -0.0126 0.0009 1652 GLN 58 C 0.0117 -0.0101 0.0026 1653 GLN 58 O 0.0110 -0.0091 0.0025 1654 GLN 58 CB 0.0105 -0.0127 -0.0016 1655 GLN 58 CG 0.0103 -0.0129 -0.0022 1656 GLN 58 CD 0.0087 -0.0131 -0.0048 1657 GLN 58 OE1 0.0088 -0.0150 -0.0063 1658 GLN 58 NE2 0.0071 -0.0111 -0.0052 1659 LEU 59 N 0.0124 -0.0088 0.0032 1660 LEU 59 CA 0.0118 -0.0062 0.0053 1661 LEU 59 C 0.0135 -0.0068 0.0075 1662 LEU 59 O 0.0142 -0.0056 0.0099 1663 LEU 59 CB 0.0117 -0.0050 0.0065 1664 LEU 59 CG 0.0097 -0.0036 0.0048 1665 LEU 59 CD1 0.0098 -0.0022 0.0065 1666 LEU 59 CD2 0.0079 -0.0016 0.0040 1667 ILE 60 N 0.0141 -0.0085 0.0064 1668 ILE 60 CA 0.0157 -0.0093 0.0082 1669 ILE 60 C 0.0147 -0.0086 0.0074 1670 ILE 60 O 0.0158 -0.0095 0.0082 1671 ILE 60 CB 0.0175 -0.0124 0.0077 1672 ILE 60 CG1 0.0168 -0.0138 0.0048 1673 ILE 60 CG2 0.0182 -0.0132 0.0079 1674 THR 61 N 0.0128 -0.0072 0.0056 1675 THR 61 CA 0.0116 -0.0062 0.0045 1676 THR 61 C 0.0099 -0.0032 0.0045 1677 THR 61 O 0.0089 -0.0026 0.0036 1678 THR 61 CB 0.0106 -0.0079 0.0017 1679 THR 61 OG1 0.0121 -0.0107 0.0016 1680 THR 61 CG2 0.0099 -0.0075 0.0009 1681 TYR 62 N 0.0097 -0.0015 0.0056 1682 TYR 62 CA 0.0082 0.0013 0.0057 1683 TYR 62 C 0.0062 0.0018 0.0030 1684 TYR 62 O 0.0051 0.0033 0.0027 1685 TYR 62 CB 0.0082 0.0028 0.0069 1686 TYR 62 CG 0.0100 0.0030 0.0097 1687 TYR 62 CD1 0.0104 0.0044 0.0115 1688 TYR 62 CD2 0.0113 0.0017 0.0107 1689 TYR 62 CE1 0.0121 0.0045 0.0141 1690 TYR 62 CE2 0.0130 0.0018 0.0133 1691 TYR 62 CZ 0.0133 0.0032 0.0150 1692 TYR 62 OH 0.0150 0.0034 0.0176 1693 PRO 63 N 0.0050 0.0007 0.0014 1694 PRO 63 CA 0.0031 0.0010 -0.0012 1695 PRO 63 C 0.0028 0.0000 -0.0025 1696 PRO 63 O 0.0012 0.0003 -0.0046 1697 PRO 63 CB 0.0030 -0.0006 -0.0027 1698 PRO 63 CG 0.0047 -0.0012 -0.0006 1699 PRO 63 CD 0.0062 -0.0012 0.0016 1700 ARG 64 N 0.0043 -0.0012 -0.0012 1701 ARG 64 CA 0.0043 -0.0022 -0.0021 1702 ARG 64 C 0.0042 -0.0004 -0.0007 1703 ARG 64 O 0.0032 0.0000 -0.0019 1704 ARG 64 CB 0.0062 -0.0050 -0.0018 1705 ALA 65 N 0.0057 0.0006 0.0016 1706 ALA 65 CA 0.0059 0.0021 0.0029 1707 ALA 65 C 0.0040 0.0042 0.0019 1708 ALA 65 O 0.0036 0.0050 0.0019 1709 ALA 65 CB 0.0072 0.0032 0.0053 1710 LEU 66 N 0.0028 0.0051 0.0011 1711 LEU 66 CA 0.0010 0.0071 0.0001 1712 LEU 66 C -0.0000 0.0066 -0.0016 1713 LEU 66 O -0.0004 0.0078 -0.0012 1714 LEU 66 CB -0.0002 0.0075 -0.0011 1715 LEU 66 CG 0.0001 0.0088 0.0001 1716 LEU 66 CD1 -0.0017 0.0098 -0.0014 1717 LEU 66 CD2 0.0006 0.0109 0.0021 1718 TRP 67 N -0.0014 0.0047 -0.0054 1719 TRP 67 CA -0.0021 0.0041 -0.0067 1720 TRP 67 C -0.0011 0.0038 -0.0053 1721 TRP 67 O -0.0016 0.0040 -0.0060 1722 TRP 67 CB -0.0025 0.0018 -0.0082 1723 TRP 67 CG -0.0029 0.0005 -0.0092 1724 TRP 67 CD1 -0.0021 -0.0016 -0.0088 1725 TRP 67 CD2 -0.0042 0.0014 -0.0107 1726 TRP 67 NE1 -0.0028 -0.0021 -0.0100 1727 TRP 67 CE2 -0.0040 -0.0003 -0.0112 1728 TRP 67 CE3 -0.0054 0.0034 -0.0117 1729 TRP 67 CZ2 -0.0051 -0.0001 -0.0126 1730 TRP 67 CZ3 -0.0064 0.0037 -0.0131 1731 TRP 67 CH2 -0.0063 0.0019 -0.0135 1732 TRP 68 N 0.0003 0.0034 -0.0034 1733 TRP 68 CA 0.0014 0.0031 -0.0020 1734 TRP 68 C 0.0014 0.0056 -0.0010 1735 TRP 68 O 0.0015 0.0060 -0.0008 1736 TRP 68 CB 0.0029 0.0017 -0.0003 1737 TRP 68 CG 0.0040 0.0020 0.0014 1738 TRP 68 CD1 0.0043 0.0009 0.0015 1739 TRP 68 CD2 0.0050 0.0034 0.0034 1740 TRP 68 NE1 0.0055 0.0016 0.0034 1741 TRP 68 CE2 0.0059 0.0031 0.0046 1742 TRP 68 CE3 0.0053 0.0049 0.0043 1743 TRP 68 CZ2 0.0070 0.0042 0.0066 1744 TRP 68 CZ3 0.0063 0.0060 0.0063 1745 TRP 68 CH2 0.0072 0.0057 0.0074 1746 SER 69 N 0.0026 0.0053 0.0008 1747 SER 69 CA 0.0030 0.0079 0.0016 1748 SER 69 C 0.0019 0.0091 0.0002 1749 SER 69 O 0.0024 0.0103 0.0009 1750 SER 69 CB 0.0029 0.0095 0.0016 1751 SER 69 OG 0.0042 0.0090 0.0034 1752 VAL 70 N 0.0005 0.0088 -0.0019 1753 VAL 70 CA -0.0007 0.0098 -0.0035 1754 VAL 70 C -0.0005 0.0088 -0.0033 1755 VAL 70 O -0.0005 0.0103 -0.0031 1756 VAL 70 CB -0.0023 0.0092 -0.0058 1757 VAL 70 CG1 -0.0035 0.0102 -0.0074 1758 VAL 70 CG2 -0.0025 0.0104 -0.0060 1759 GLU 71 N 0.0001 0.0066 -0.0038 1760 GLU 71 CA 0.0002 0.0058 -0.0036 1761 GLU 71 C 0.0012 0.0065 -0.0022 1762 GLU 71 O 0.0013 0.0071 -0.0021 1763 GLU 71 CB 0.0002 0.0038 -0.0036 1764 THR 72 N 0.0019 0.0064 -0.0010 1765 THR 72 CA 0.0029 0.0070 0.0004 1766 THR 72 C 0.0029 0.0089 0.0004 1767 THR 72 O 0.0033 0.0094 0.0009 1768 THR 72 CB 0.0036 0.0067 0.0015 1769 THR 72 OG1 0.0037 0.0049 0.0016 1770 THR 72 CG2 0.0046 0.0073 0.0030 1771 ALA 73 N 0.0039 0.0084 0.0010 1772 ALA 73 CA 0.0037 0.0097 0.0010 1773 ALA 73 C 0.0032 0.0102 0.0002 1774 ALA 73 O 0.0031 0.0112 0.0005 1775 ALA 73 CB 0.0034 0.0102 0.0007 1776 THR 74 N 0.0028 0.0096 -0.0008 1777 THR 74 CA 0.0024 0.0099 -0.0016 1778 THR 74 C 0.0027 0.0095 -0.0012 1779 THR 74 O 0.0024 0.0099 -0.0015 1780 THR 74 CB 0.0019 0.0093 -0.0028 1781 THR 74 OG1 0.0018 0.0093 -0.0030 1782 THR 74 CG2 0.0013 0.0099 -0.0036 1783 THR 75 N 0.0023 0.0078 -0.0016 1784 THR 75 CA 0.0026 0.0073 -0.0008 1785 THR 75 C 0.0023 0.0068 -0.0016 1786 THR 75 O 0.0022 0.0073 -0.0017 1787 THR 75 CB 0.0030 0.0083 0.0000 1788 THR 75 OG1 0.0030 0.0083 -0.0000 1789 THR 75 CG2 0.0029 0.0096 -0.0003 1790 VAL 76 N 0.0020 0.0057 -0.0021 1791 VAL 76 CA 0.0017 0.0050 -0.0028 1792 VAL 76 C 0.0018 0.0037 -0.0022 1793 VAL 76 O 0.0018 0.0031 -0.0023 1794 VAL 76 CB 0.0011 0.0049 -0.0040 1795 VAL 76 CG1 0.0008 0.0045 -0.0048 1796 VAL 76 CG2 0.0010 0.0062 -0.0044 1797 GLY 77 N 0.0017 0.0031 -0.0019 1798 GLY 77 CA 0.0017 0.0016 -0.0011 1799 GLY 77 C 0.0009 0.0001 -0.0016 1800 GLY 77 O 0.0010 -0.0006 -0.0010 1801 TYR 78 N 0.0001 -0.0003 -0.0027 1802 TYR 78 CA -0.0008 -0.0017 -0.0033 1803 TYR 78 C -0.0006 -0.0031 -0.0022 1804 TYR 78 O -0.0009 -0.0042 -0.0021 1805 TYR 78 CB -0.0017 -0.0018 -0.0046 1806 TYR 78 CG -0.0023 -0.0010 -0.0059 1807 TYR 78 CD1 -0.0025 -0.0013 -0.0062 1808 TYR 78 CD2 -0.0026 0.0000 -0.0070 1809 TYR 78 CE1 -0.0031 -0.0005 -0.0074 1810 TYR 78 CE2 -0.0031 0.0008 -0.0082 1811 TYR 78 CZ -0.0034 0.0006 -0.0084 1812 TYR 78 OH -0.0039 0.0013 -0.0096 1813 GLY 79 N 0.0007 -0.0028 -0.0026 1814 GLY 79 CA 0.0016 -0.0048 -0.0014 1815 GLY 79 C 0.0016 -0.0064 -0.0019 1816 GLY 79 O 0.0025 -0.0079 -0.0007 1817 ASP 80 N 0.0007 -0.0062 -0.0036 1818 ASP 80 CA 0.0007 -0.0076 -0.0042 1819 ASP 80 C 0.0015 -0.0075 -0.0026 1820 ASP 80 O 0.0018 -0.0091 -0.0025 1821 ASP 80 CB -0.0005 -0.0068 -0.0062 1822 ASP 80 CG -0.0006 -0.0048 -0.0057 1823 ASP 80 OD1 -0.0006 -0.0029 -0.0051 1824 ASP 80 OD2 -0.0006 -0.0052 -0.0060 1825 LEU 81 N 0.0042 -0.0053 -0.0038 1826 LEU 81 CA 0.0050 -0.0051 -0.0021 1827 LEU 81 C 0.0053 -0.0038 -0.0005 1828 LEU 81 O 0.0047 -0.0024 -0.0008 1829 LEU 81 CB 0.0045 -0.0042 -0.0025 1830 LEU 81 CG 0.0042 -0.0053 -0.0039 1831 LEU 81 CD1 0.0037 -0.0042 -0.0040 1832 LEU 81 CD2 0.0051 -0.0073 -0.0033 1833 TYR 82 N 0.0063 -0.0042 0.0011 1834 TYR 82 CA 0.0068 -0.0031 0.0028 1835 TYR 82 C 0.0079 -0.0037 0.0046 1836 TYR 82 O 0.0085 -0.0053 0.0046 1837 TYR 82 CB 0.0069 -0.0032 0.0028 1838 TYR 82 CG 0.0074 -0.0052 0.0026 1839 TYR 82 CD1 0.0070 -0.0064 0.0009 1840 TYR 82 CD2 0.0084 -0.0060 0.0041 1841 TYR 82 CE1 0.0075 -0.0083 0.0007 1842 TYR 82 CE2 0.0089 -0.0078 0.0038 1843 TYR 82 CZ 0.0084 -0.0090 0.0022 1844 TYR 82 OH 0.0089 -0.0108 0.0019 1845 PRO 83 N 0.0095 -0.0022 0.0060 1846 PRO 83 CA 0.0112 -0.0027 0.0083 1847 PRO 83 C 0.0125 -0.0042 0.0089 1848 PRO 83 O 0.0120 -0.0041 0.0081 1849 PRO 83 CB 0.0105 -0.0004 0.0102 1850 PRO 83 CG 0.0089 0.0011 0.0092 1851 PRO 83 CD 0.0080 0.0002 0.0064 1852 VAL 84 N 0.0142 -0.0055 0.0103 1853 VAL 84 CA 0.0157 -0.0070 0.0111 1854 VAL 84 C 0.0168 -0.0065 0.0139 1855 VAL 84 O 0.0180 -0.0071 0.0151 1856 VAL 84 CB 0.0169 -0.0095 0.0100 1857 VAL 84 CG1 0.0177 -0.0109 0.0098 1858 VAL 84 CG2 0.0157 -0.0099 0.0075 1859 THR 85 N 0.0178 -0.0055 0.0145 1860 THR 85 CA 0.0187 -0.0049 0.0173 1861 THR 85 C 0.0171 -0.0032 0.0182 1862 THR 85 O 0.0151 -0.0019 0.0173 1863 THR 85 CB 0.0186 -0.0041 0.0187 1864 THR 85 OG1 0.0191 -0.0053 0.0172 1865 THR 85 CG2 0.0203 -0.0042 0.0214 1866 LEU 86 N 0.0181 -0.0031 0.0198 1867 LEU 86 CA 0.0166 -0.0016 0.0207 1868 LEU 86 C 0.0148 0.0003 0.0216 1869 LEU 86 O 0.0128 0.0016 0.0208 1870 LEU 86 CB 0.0181 -0.0016 0.0230 1871 LEU 86 CG 0.0169 -0.0004 0.0236 1872 LEU 86 CD1 0.0165 -0.0011 0.0213 1873 LEU 86 CD2 0.0183 -0.0003 0.0261 1874 TRP 87 N 0.0169 0.0004 0.0221 1875 TRP 87 CA 0.0154 0.0024 0.0227 1876 TRP 87 C 0.0138 0.0028 0.0199 1877 TRP 87 O 0.0119 0.0047 0.0194 1878 TRP 87 CB 0.0167 0.0020 0.0246 1879 TRP 87 CG 0.0172 0.0031 0.0277 1880 TRP 87 CD1 0.0175 0.0040 0.0297 1881 TRP 87 CD2 0.0176 0.0036 0.0292 1882 TRP 87 NE1 0.0180 0.0049 0.0324 1883 TRP 87 CE2 0.0180 0.0047 0.0321 1884 TRP 87 CE3 0.0176 0.0031 0.0284 1885 TRP 87 CZ2 0.0185 0.0053 0.0342 1886 TRP 87 CZ3 0.0180 0.0038 0.0305 1887 TRP 87 CH2 0.0184 0.0049 0.0333 1888 GLY 88 N 0.0146 0.0009 0.0181 1889 GLY 88 CA 0.0132 0.0010 0.0154 1890 GLY 88 C 0.0114 0.0022 0.0139 1891 GLY 88 O 0.0097 0.0034 0.0123 1892 ARG 89 N 0.0102 0.0015 0.0137 1893 ARG 89 CA 0.0093 0.0028 0.0130 1894 ARG 89 C 0.0083 0.0050 0.0139 1895 ARG 89 O 0.0072 0.0064 0.0129 1896 ARG 89 CB 0.0097 0.0023 0.0137 1897 ARG 89 CG 0.0108 0.0001 0.0128 1898 ARG 89 CD 0.0106 0.0000 0.0118 1899 ARG 89 NE 0.0111 -0.0015 0.0099 1900 ARG 89 CZ 0.0118 -0.0028 0.0095 1901 ARG 89 NH1 0.0120 -0.0028 0.0110 1902 ARG 89 NH2 0.0122 -0.0041 0.0077 1903 CYS 90 N 0.0086 0.0051 0.0160 1904 CYS 90 CA 0.0077 0.0071 0.0170 1905 CYS 90 C 0.0069 0.0079 0.0156 1906 CYS 90 O 0.0059 0.0094 0.0147 1907 CYS 90 CB 0.0082 0.0069 0.0194 1908 CYS 90 SG 0.0084 0.0074 0.0216 1909 VAL 91 N 0.0100 0.0081 0.0142 1910 VAL 91 CA 0.0087 0.0089 0.0134 1911 VAL 91 C 0.0074 0.0088 0.0114 1912 VAL 91 O 0.0059 0.0101 0.0108 1913 VAL 91 CB 0.0095 0.0078 0.0132 1914 VAL 91 CG1 0.0082 0.0087 0.0123 1915 VAL 91 CG2 0.0108 0.0079 0.0152 1916 ALA 92 N 0.0079 0.0074 0.0103 1917 ALA 92 CA 0.0067 0.0073 0.0084 1918 ALA 92 C 0.0055 0.0089 0.0086 1919 ALA 92 O 0.0040 0.0100 0.0078 1920 ALA 92 CB 0.0075 0.0055 0.0074 1921 VAL 93 N 0.0067 0.0083 0.0093 1922 VAL 93 CA 0.0065 0.0098 0.0097 1923 VAL 93 C 0.0062 0.0110 0.0093 1924 VAL 93 O 0.0057 0.0120 0.0085 1925 VAL 93 CB 0.0070 0.0099 0.0114 1926 VAL 93 CG1 0.0069 0.0115 0.0120 1927 VAL 93 CG2 0.0072 0.0094 0.0116 1928 VAL 94 N 0.0064 0.0110 0.0099 1929 VAL 94 CA 0.0060 0.0121 0.0096 1930 VAL 94 C 0.0055 0.0123 0.0080 1931 VAL 94 O 0.0051 0.0135 0.0074 1932 VAL 94 CB 0.0063 0.0117 0.0102 1933 VAL 94 CG1 0.0059 0.0125 0.0094 1934 VAL 94 CG2 0.0067 0.0121 0.0118 1935 VAL 95 N 0.0059 0.0123 0.0071 1936 VAL 95 CA 0.0049 0.0123 0.0062 1937 VAL 95 C 0.0042 0.0120 0.0054 1938 VAL 95 O 0.0032 0.0121 0.0047 1939 VAL 95 CB 0.0051 0.0114 0.0057 1940 VAL 95 CG1 0.0057 0.0101 0.0054 1941 VAL 95 CG2 0.0040 0.0115 0.0049 1942 MET 96 N 0.0047 0.0115 0.0055 1943 MET 96 CA 0.0040 0.0112 0.0047 1944 MET 96 C 0.0034 0.0123 0.0049 1945 MET 96 O 0.0024 0.0127 0.0044 1946 MET 96 CB 0.0048 0.0103 0.0048 1947 MET 96 CG 0.0047 0.0091 0.0038 1948 MET 96 SD 0.0061 0.0080 0.0042 1949 MET 96 CE 0.0060 0.0071 0.0036 1950 VAL 97 N 0.0055 0.0115 0.0046 1951 VAL 97 CA 0.0054 0.0119 0.0047 1952 VAL 97 C 0.0049 0.0125 0.0045 1953 VAL 97 O 0.0045 0.0126 0.0044 1954 VAL 97 CB 0.0061 0.0123 0.0049 1955 VAL 97 CG1 0.0067 0.0118 0.0051 1956 VAL 97 CG2 0.0061 0.0130 0.0050 1957 ALA 98 N 0.0049 0.0129 0.0046 1958 ALA 98 CA 0.0044 0.0134 0.0045 1959 ALA 98 C 0.0037 0.0132 0.0042 1960 ALA 98 O 0.0033 0.0136 0.0041 1961 ALA 98 CB 0.0043 0.0136 0.0045 1962 GLY 99 N 0.0026 0.0124 0.0030 1963 GLY 99 CA 0.0022 0.0120 0.0036 1964 GLY 99 C 0.0023 0.0110 0.0035 1965 GLY 99 O 0.0020 0.0106 0.0040 1966 ILE 100 N 0.0025 0.0108 0.0029 1967 ILE 100 CA 0.0026 0.0099 0.0028 1968 ILE 100 C 0.0026 0.0095 0.0028 1969 ILE 100 O 0.0024 0.0088 0.0030 1970 ILE 100 CB 0.0029 0.0097 0.0020 1971 ILE 100 CG1 0.0030 0.0104 0.0019 1972 ILE 100 CG2 0.0029 0.0089 0.0020 1973 ILE 100 CD1 0.0034 0.0103 0.0012 1974 THR 101 N 0.0043 0.0092 0.0030 1975 THR 101 CA 0.0044 0.0083 0.0027 1976 THR 101 C 0.0044 0.0081 0.0038 1977 THR 101 O 0.0046 0.0071 0.0043 1978 THR 101 CB 0.0044 0.0087 0.0015 1979 THR 101 OG1 0.0044 0.0081 0.0005 1980 THR 101 CG2 0.0044 0.0083 0.0016 1981 SER 102 N 0.0043 0.0090 0.0041 1982 SER 102 CA 0.0044 0.0089 0.0051 1983 SER 102 C 0.0044 0.0082 0.0062 1984 SER 102 O 0.0045 0.0075 0.0068 1985 SER 102 CB 0.0042 0.0101 0.0055 1986 SER 102 OG 0.0042 0.0103 0.0068 1987 PHE 103 N 0.0041 0.0076 0.0028 1988 PHE 103 CA 0.0041 0.0074 0.0033 1989 PHE 103 C 0.0043 0.0067 0.0032 1990 PHE 103 O 0.0044 0.0063 0.0036 1991 PHE 103 CB 0.0041 0.0078 0.0036 1992 PHE 103 CG 0.0040 0.0082 0.0041 1993 PHE 103 CD1 0.0041 0.0080 0.0047 1994 PHE 103 CD2 0.0039 0.0089 0.0040 1995 PHE 103 CE1 0.0040 0.0084 0.0051 1996 PHE 103 CE2 0.0038 0.0093 0.0044 1997 PHE 103 CZ 0.0039 0.0091 0.0050 1998 GLY 104 N 0.0043 0.0066 0.0026 1999 GLY 104 CA 0.0044 0.0060 0.0024 2000 GLY 104 C 0.0045 0.0055 0.0025 2001 GLY 104 O 0.0046 0.0050 0.0028 2002 LEU 105 N 0.0052 0.0021 0.0046 2003 LEU 105 CA 0.0050 0.0011 0.0053 2004 LEU 105 C 0.0053 0.0008 0.0064 2005 LEU 105 O 0.0050 -0.0001 0.0066 2006 LEU 105 CB 0.0052 0.0012 0.0057 2007 LEU 105 CG 0.0046 0.0006 0.0050 2008 LEU 105 CD1 0.0047 0.0015 0.0042 2009 LEU 105 CD2 0.0046 -0.0001 0.0058 2010 VAL 106 N 0.0060 0.0016 0.0070 2011 VAL 106 CA 0.0063 0.0015 0.0081 2012 VAL 106 C 0.0060 0.0011 0.0078 2013 VAL 106 O 0.0060 0.0005 0.0085 2014 VAL 106 CB 0.0071 0.0026 0.0085 2015 VAL 106 CG1 0.0074 0.0024 0.0096 2016 VAL 106 CG2 0.0074 0.0029 0.0088 2017 THR 107 N 0.0075 0.0006 0.0057 2018 THR 107 CA 0.0066 0.0000 0.0047 2019 THR 107 C 0.0049 -0.0018 0.0046 2020 THR 107 O 0.0040 -0.0029 0.0050 2021 THR 107 CB 0.0067 0.0012 0.0023 2022 THR 107 OG1 0.0078 0.0024 0.0023 2023 THR 107 CG2 0.0050 0.0001 0.0008 2024 ALA 108 N 0.0043 -0.0022 0.0040 2025 ALA 108 CA 0.0027 -0.0039 0.0039 2026 ALA 108 C 0.0025 -0.0052 0.0061 2027 ALA 108 O 0.0014 -0.0064 0.0063 2028 ALA 108 CB 0.0025 -0.0039 0.0034 2029 ALA 109 N 0.0043 -0.0048 0.0081 2030 ALA 109 CA 0.0041 -0.0057 0.0101 2031 ALA 109 C 0.0037 -0.0058 0.0097 2032 ALA 109 O 0.0022 -0.0067 0.0101 2033 ALA 109 CB 0.0060 -0.0053 0.0115 2034 LEU 110 N 0.0049 -0.0048 0.0088 2035 LEU 110 CA 0.0046 -0.0047 0.0084 2036 LEU 110 C 0.0028 -0.0052 0.0069 2037 LEU 110 O 0.0019 -0.0057 0.0071 2038 LEU 110 CB 0.0064 -0.0034 0.0075 2039 LEU 110 CG 0.0081 -0.0031 0.0090 2040 LEU 110 CD1 0.0089 -0.0032 0.0104 2041 LEU 110 CD2 0.0096 -0.0019 0.0079 2042 ALA 111 N 0.0032 -0.0062 0.0057 2043 ALA 111 CA 0.0013 -0.0069 0.0040 2044 ALA 111 C -0.0006 -0.0087 0.0051 2045 ALA 111 O -0.0020 -0.0095 0.0044 2046 ALA 111 CB 0.0009 -0.0062 0.0019 2047 THR 112 N -0.0006 -0.0094 0.0067 2048 THR 112 CA -0.0023 -0.0112 0.0079 2049 THR 112 C -0.0021 -0.0119 0.0100 2050 THR 112 O -0.0036 -0.0132 0.0104 2051 THR 112 CB -0.0026 -0.0118 0.0088 2052 THR 112 OG1 -0.0016 -0.0121 0.0112 2053 THR 112 CG2 -0.0016 -0.0105 0.0075 2054 TRP 113 N -0.0003 -0.0108 0.0120 2055 TRP 113 CA -0.0001 -0.0113 0.0141 2056 TRP 113 C -0.0010 -0.0113 0.0126 2057 TRP 113 O -0.0010 -0.0117 0.0139 2058 TRP 113 CB 0.0028 -0.0104 0.0156 2059 TRP 113 CG 0.0032 -0.0108 0.0177 2060 TRP 113 CD1 0.0024 -0.0119 0.0204 2061 TRP 113 CD2 0.0047 -0.0100 0.0174 2062 TRP 113 NE1 0.0032 -0.0119 0.0218 2063 TRP 113 CE2 0.0046 -0.0108 0.0200 2064 TRP 113 CE3 0.0060 -0.0088 0.0152 2065 TRP 113 CZ2 0.0058 -0.0103 0.0204 2066 TRP 113 CZ3 0.0072 -0.0084 0.0156 2067 TRP 113 CH2 0.0071 -0.0091 0.0182 2068 PHE 114 N -0.0017 -0.0108 0.0098 2069 PHE 114 CA -0.0026 -0.0108 0.0081 2070 PHE 114 C -0.0057 -0.0120 0.0073 2071 PHE 114 O -0.0071 -0.0124 0.0064 2072 PHE 114 CB -0.0012 -0.0094 0.0054 2073 PHE 114 CG 0.0013 -0.0084 0.0057 2074 PHE 114 CD1 0.0021 -0.0087 0.0084 2075 PHE 114 CD2 0.0028 -0.0071 0.0034 2076 PHE 114 CE1 0.0044 -0.0078 0.0087 2077 PHE 114 CE2 0.0051 -0.0061 0.0038 2078 PHE 114 CZ 0.0059 -0.0065 0.0064 2079 VAL 115 N -0.0048 -0.0140 0.0083 2080 VAL 115 CA -0.0068 -0.0161 0.0072 2081 VAL 115 C -0.0081 -0.0171 0.0101 2082 VAL 115 O -0.0102 -0.0191 0.0102 2083 VAL 115 CB -0.0062 -0.0156 0.0049 2084 VAL 115 CG1 -0.0082 -0.0175 0.0048 2085 VAL 115 CG2 -0.0057 -0.0153 0.0016 2086 GLY 116 N -0.0069 -0.0157 0.0125 2087 GLY 116 CA -0.0079 -0.0165 0.0155 2088 GLY 116 C -0.0092 -0.0176 0.0171 2089 GLY 116 O -0.0094 -0.0177 0.0200 2090 ARG 117 N -0.0102 -0.0193 0.0148 2091 ARG 117 CA -0.0127 -0.0209 0.0155 2092 ARG 117 C -0.0148 -0.0234 0.0123 2093 ARG 117 O -0.0153 -0.0245 0.0102 2094 ARG 117 CB -0.0112 -0.0199 0.0152 2095 ARG 117 CG -0.0105 -0.0182 0.0191 2096 ARG 117 CD -0.0135 -0.0196 0.0213 2097 ARG 117 NE -0.0130 -0.0180 0.0251 2098 GLU 118 N -0.0158 -0.0242 0.0120 2099 GLU 118 CA -0.0178 -0.0266 0.0092 2100 GLU 118 C -0.0213 -0.0284 0.0113 2101 GLU 118 O -0.0237 -0.0306 0.0097 2102 GLU 118 CB -0.0164 -0.0262 0.0071 2103 GLU 118 CG -0.0167 -0.0256 0.0098 2104 GLU 118 CD -0.0157 -0.0256 0.0076 2105 GLU 118 OE1 -0.0155 -0.0266 0.0040 2106 GLU 118 OE2 -0.0152 -0.0246 0.0095 2107 GLN 119 N -0.0254 -0.0287 0.0165 2108 GLN 119 CA -0.0297 -0.0304 0.0198 2109 GLN 119 C -0.0328 -0.0326 0.0200 2110 GLN 119 O -0.0368 -0.0354 0.0198 2111 GLN 119 CB -0.0289 -0.0279 0.0251 2112 GLN 119 CG -0.0283 -0.0264 0.0278 2113 GLN 119 CD -0.0246 -0.0227 0.0307 2114 GLN 119 OE1 -0.0252 -0.0215 0.0350 2115 GLN 119 NE2 -0.0207 -0.0208 0.0285 2116 ALA 23 N -0.0063 -0.0087 0.0020 2117 ALA 23 CA -0.0073 -0.0095 0.0035 2118 ALA 23 C -0.0042 -0.0096 0.0055 2119 ALA 23 O -0.0027 -0.0102 0.0079 2120 ALA 23 CB -0.0087 -0.0087 0.0008 2121 LEU 24 N -0.0033 -0.0091 0.0045 2122 LEU 24 CA -0.0003 -0.0091 0.0062 2123 LEU 24 C 0.0006 -0.0081 0.0040 2124 LEU 24 O 0.0033 -0.0070 0.0025 2125 LEU 24 CB -0.0013 -0.0106 0.0095 2126 LEU 24 CG 0.0016 -0.0107 0.0116 2127 LEU 24 CD1 0.0030 -0.0116 0.0144 2128 LEU 24 CD2 0.0003 -0.0115 0.0128 2129 HIS 25 N -0.0004 -0.0078 0.0025 2130 HIS 25 CA 0.0003 -0.0078 0.0019 2131 HIS 25 C 0.0008 -0.0076 -0.0002 2132 HIS 25 O 0.0021 -0.0077 -0.0008 2133 HIS 25 CB -0.0012 -0.0076 0.0023 2134 HIS 25 CG -0.0025 -0.0072 0.0006 2135 HIS 25 ND1 -0.0023 -0.0071 -0.0005 2136 HIS 25 CD2 -0.0039 -0.0069 -0.0001 2137 HIS 25 CE1 -0.0036 -0.0067 -0.0018 2138 HIS 25 NE2 -0.0045 -0.0066 -0.0016 2139 TRP 26 N -0.0001 -0.0073 -0.0013 2140 TRP 26 CA 0.0002 -0.0070 -0.0033 2141 TRP 26 C 0.0014 -0.0071 -0.0038 2142 TRP 26 O 0.0020 -0.0070 -0.0054 2143 TRP 26 CB -0.0017 -0.0066 -0.0043 2144 TRP 26 CG -0.0018 -0.0063 -0.0060 2145 TRP 26 CD1 -0.0027 -0.0060 -0.0076 2146 TRP 26 CD2 -0.0011 -0.0064 -0.0064 2147 TRP 26 NE1 -0.0025 -0.0058 -0.0090 2148 TRP 26 CE2 -0.0015 -0.0061 -0.0082 2149 TRP 26 CE3 -0.0000 -0.0067 -0.0053 2150 TRP 26 CZ2 -0.0010 -0.0060 -0.0090 2151 TRP 26 CZ3 0.0005 -0.0067 -0.0061 2152 TRP 26 CH2 -0.0000 -0.0063 -0.0080 2153 ARG 27 N 0.0022 -0.0068 -0.0051 2154 ARG 27 CA 0.0046 -0.0060 -0.0037 2155 ARG 27 C 0.0073 -0.0052 -0.0019 2156 ARG 27 O 0.0098 -0.0039 -0.0014 2157 ARG 27 CB 0.0035 -0.0077 -0.0014 2158 ALA 28 N 0.0069 -0.0059 -0.0009 2159 ALA 28 CA 0.0093 -0.0051 0.0008 2160 ALA 28 C 0.0112 -0.0030 -0.0015 2161 ALA 28 O 0.0138 -0.0019 -0.0006 2162 ALA 28 CB 0.0082 -0.0065 0.0023 2163 ALA 29 N 0.0113 -0.0016 -0.0032 2164 ALA 29 CA 0.0121 -0.0001 -0.0048 2165 ALA 29 C 0.0143 0.0017 -0.0066 2166 ALA 29 O 0.0170 0.0018 -0.0067 2167 ALA 29 CB 0.0090 0.0009 -0.0059 2168 GLY 30 N 0.0131 0.0031 -0.0081 2169 GLY 30 CA 0.0151 0.0048 -0.0100 2170 GLY 30 C 0.0184 0.0041 -0.0092 2171 GLY 30 O 0.0206 0.0054 -0.0106 2172 ALA 31 N 0.0189 0.0025 -0.0096 2173 ALA 31 CA 0.0198 0.0026 -0.0089 2174 ALA 31 C 0.0191 0.0031 -0.0093 2175 ALA 31 O 0.0196 0.0040 -0.0087 2176 ALA 31 CB 0.0206 0.0009 -0.0087 2177 ALA 32 N 0.0180 0.0025 -0.0103 2178 ALA 32 CA 0.0172 0.0029 -0.0108 2179 ALA 32 C 0.0169 0.0047 -0.0106 2180 ALA 32 O 0.0171 0.0053 -0.0103 2181 ALA 32 CB 0.0159 0.0022 -0.0120 2182 THR 33 N 0.0172 0.0066 -0.0121 2183 THR 33 CA 0.0161 0.0068 -0.0109 2184 THR 33 C 0.0163 0.0067 -0.0113 2185 THR 33 O 0.0150 0.0063 -0.0112 2186 THR 33 CB 0.0165 0.0079 -0.0092 2187 THR 33 OG1 0.0179 0.0086 -0.0091 2188 THR 33 CG2 0.0169 0.0082 -0.0090 2189 VAL 34 N 0.0178 0.0070 -0.0117 2190 VAL 34 CA 0.0180 0.0069 -0.0121 2191 VAL 34 C 0.0171 0.0057 -0.0135 2192 VAL 34 O 0.0170 0.0054 -0.0140 2193 VAL 34 CB 0.0199 0.0073 -0.0127 2194 VAL 34 CG1 0.0201 0.0074 -0.0127 2195 VAL 34 CG2 0.0209 0.0083 -0.0116 2196 LEU 35 N 0.0131 0.0078 -0.0152 2197 LEU 35 CA 0.0125 0.0067 -0.0160 2198 LEU 35 C 0.0110 0.0067 -0.0155 2199 LEU 35 O 0.0106 0.0062 -0.0158 2200 LEU 35 CB 0.0124 0.0059 -0.0167 2201 LEU 35 CG 0.0138 0.0059 -0.0172 2202 LEU 35 CD1 0.0136 0.0053 -0.0177 2203 LEU 35 CD2 0.0146 0.0053 -0.0180 2204 LEU 36 N 0.0102 0.0071 -0.0148 2205 LEU 36 CA 0.0087 0.0071 -0.0143 2206 LEU 36 C 0.0087 0.0077 -0.0138 2207 LEU 36 O 0.0078 0.0073 -0.0138 2208 LEU 36 CB 0.0080 0.0077 -0.0135 2209 LEU 36 CG 0.0066 0.0080 -0.0128 2210 LEU 36 CD1 0.0054 0.0071 -0.0133 2211 LEU 36 CD2 0.0064 0.0090 -0.0118 2212 VAL 37 N 0.0099 0.0073 -0.0157 2213 VAL 37 CA 0.0086 0.0073 -0.0137 2214 VAL 37 C 0.0070 0.0070 -0.0153 2215 VAL 37 O 0.0048 0.0068 -0.0142 2216 VAL 37 CB 0.0108 0.0077 -0.0118 2217 VAL 37 CG1 0.0106 0.0077 -0.0120 2218 VAL 37 CG2 0.0104 0.0079 -0.0088 2219 ILE 38 N 0.0080 0.0069 -0.0177 2220 ILE 38 CA 0.0065 0.0066 -0.0194 2221 ILE 38 C 0.0038 0.0062 -0.0203 2222 ILE 38 O 0.0015 0.0060 -0.0200 2223 ILE 38 CB 0.0083 0.0066 -0.0220 2224 ILE 38 CG1 0.0102 0.0069 -0.0212 2225 ILE 38 CG2 0.0063 0.0062 -0.0244 2226 ILE 38 CD1 0.0119 0.0073 -0.0185 2227 VAL 39 N 0.0024 0.0098 -0.0213 2228 VAL 39 CA 0.0014 0.0091 -0.0213 2229 VAL 39 C 0.0003 0.0081 -0.0200 2230 VAL 39 O -0.0010 0.0072 -0.0204 2231 VAL 39 CB 0.0022 0.0096 -0.0208 2232 VAL 39 CG1 0.0011 0.0088 -0.0206 2233 VAL 39 CG2 0.0033 0.0106 -0.0222 2234 LEU 40 N 0.0009 0.0082 -0.0184 2235 LEU 40 CA -0.0000 0.0073 -0.0170 2236 LEU 40 C -0.0012 0.0066 -0.0178 2237 LEU 40 O -0.0024 0.0058 -0.0183 2238 LEU 40 CB 0.0009 0.0076 -0.0154 2239 LEU 40 CG 0.0020 0.0083 -0.0144 2240 LEU 40 CD1 0.0024 0.0082 -0.0126 2241 LEU 40 CD2 0.0015 0.0078 -0.0142 2242 LEU 41 N -0.0008 0.0057 -0.0194 2243 LEU 41 CA -0.0029 0.0049 -0.0201 2244 LEU 41 C -0.0046 0.0048 -0.0230 2245 LEU 41 O -0.0070 0.0038 -0.0234 2246 LEU 41 CB -0.0015 0.0055 -0.0203 2247 LEU 41 CG 0.0004 0.0057 -0.0176 2248 LEU 41 CD1 0.0001 0.0055 -0.0173 2249 LEU 41 CD2 -0.0004 0.0046 -0.0149 2250 ALA 42 N -0.0033 0.0060 -0.0250 2251 ALA 42 CA -0.0047 0.0061 -0.0279 2252 ALA 42 C -0.0068 0.0051 -0.0276 2253 ALA 42 O -0.0092 0.0042 -0.0287 2254 ALA 42 CB -0.0027 0.0077 -0.0299 2255 GLY 43 N -0.0061 0.0076 -0.0266 2256 GLY 43 CA -0.0072 0.0061 -0.0257 2257 GLY 43 C -0.0089 0.0038 -0.0243 2258 GLY 43 O -0.0106 0.0023 -0.0246 2259 SER 44 N -0.0083 0.0037 -0.0228 2260 SER 44 CA -0.0097 0.0017 -0.0214 2261 SER 44 C -0.0120 0.0004 -0.0233 2262 SER 44 O -0.0136 -0.0012 -0.0231 2263 SER 44 CB -0.0087 0.0020 -0.0201 2264 SER 44 OG -0.0068 0.0028 -0.0179 2265 TYR 45 N -0.0132 0.0002 -0.0268 2266 TYR 45 CA -0.0160 -0.0010 -0.0291 2267 TYR 45 C -0.0171 -0.0004 -0.0322 2268 TYR 45 O -0.0185 -0.0002 -0.0350 2269 TYR 45 CB -0.0157 -0.0002 -0.0303 2270 TYR 45 CG -0.0149 -0.0009 -0.0275 2271 TYR 45 CD1 -0.0125 -0.0004 -0.0245 2272 TYR 45 CD2 -0.0165 -0.0020 -0.0277 2273 TYR 45 CE1 -0.0118 -0.0010 -0.0219 2274 TYR 45 CE2 -0.0157 -0.0026 -0.0251 2275 TYR 45 CZ -0.0134 -0.0021 -0.0222 2276 TYR 45 OH -0.0126 -0.0027 -0.0196 2277 LEU 46 N -0.0165 -0.0002 -0.0316 2278 LEU 46 CA -0.0174 0.0003 -0.0344 2279 LEU 46 C -0.0185 -0.0012 -0.0328 2280 LEU 46 O -0.0206 -0.0020 -0.0345 2281 LEU 46 CB -0.0149 0.0031 -0.0360 2282 LEU 46 CG -0.0159 0.0040 -0.0397 2283 LEU 46 CD1 -0.0140 0.0065 -0.0419 2284 LEU 46 CD2 -0.0159 0.0040 -0.0396 2285 ALA 47 N -0.0167 -0.0002 -0.0308 2286 ALA 47 CA -0.0175 -0.0019 -0.0288 2287 ALA 47 C -0.0200 -0.0048 -0.0282 2288 ALA 47 O -0.0218 -0.0066 -0.0283 2289 ALA 47 CB -0.0153 -0.0013 -0.0253 2290 VAL 48 N -0.0203 -0.0053 -0.0278 2291 VAL 48 CA -0.0227 -0.0080 -0.0273 2292 VAL 48 C -0.0250 -0.0089 -0.0303 2293 VAL 48 O -0.0267 -0.0109 -0.0300 2294 VAL 48 CB -0.0226 -0.0080 -0.0270 2295 VAL 48 CG1 -0.0253 -0.0106 -0.0276 2296 VAL 48 CG2 -0.0208 -0.0079 -0.0234 2297 LEU 49 N -0.0263 -0.0080 -0.0335 2298 LEU 49 CA -0.0287 -0.0083 -0.0365 2299 LEU 49 C -0.0289 -0.0079 -0.0375 2300 LEU 49 O -0.0306 -0.0079 -0.0402 2301 LEU 49 CB -0.0284 -0.0066 -0.0393 2302 LEU 49 CG -0.0256 -0.0037 -0.0401 2303 LEU 49 CD1 -0.0258 -0.0024 -0.0428 2304 LEU 49 CD2 -0.0249 -0.0026 -0.0412 2305 ALA 50 N -0.0272 -0.0077 -0.0354 2306 ALA 50 CA -0.0273 -0.0073 -0.0361 2307 ALA 50 C -0.0284 -0.0096 -0.0336 2308 ALA 50 O -0.0295 -0.0102 -0.0342 2309 ALA 50 CB -0.0242 -0.0049 -0.0359 2310 GLU 51 N -0.0267 -0.0104 -0.0320 2311 GLU 51 CA -0.0277 -0.0130 -0.0289 2312 GLU 51 C -0.0304 -0.0157 -0.0285 2313 GLU 51 O -0.0323 -0.0182 -0.0274 2314 GLU 51 CB -0.0251 -0.0124 -0.0253 2315 GLU 51 CG -0.0222 -0.0097 -0.0253 2316 GLU 51 CD -0.0214 -0.0103 -0.0226 2317 GLU 51 OE1 -0.0204 -0.0113 -0.0192 2318 GLU 51 OE2 -0.0216 -0.0099 -0.0238 2319 ARG 52 N -0.0305 -0.0153 -0.0295 2320 ARG 52 CA -0.0329 -0.0178 -0.0292 2321 ARG 52 C -0.0360 -0.0205 -0.0297 2322 ARG 52 O -0.0375 -0.0230 -0.0277 2323 ARG 52 CB -0.0334 -0.0167 -0.0320 2324 ARG 52 CG -0.0358 -0.0190 -0.0320 2325 ARG 52 CD -0.0345 -0.0182 -0.0310 2326 ARG 52 NE -0.0353 -0.0207 -0.0280 2327 ARG 52 CZ -0.0343 -0.0205 -0.0265 2328 ARG 52 NH1 -0.0324 -0.0181 -0.0278 2329 ARG 52 NH2 -0.0351 -0.0229 -0.0237 2330 GLY 53 N -0.0382 -0.0220 -0.0329 2331 GLY 53 CA -0.0411 -0.0244 -0.0335 2332 GLY 53 C -0.0410 -0.0246 -0.0329 2333 GLY 53 O -0.0414 -0.0237 -0.0356 2334 ALA 54 N -0.0403 -0.0257 -0.0294 2335 ALA 54 CA -0.0400 -0.0259 -0.0285 2336 ALA 54 C -0.0392 -0.0271 -0.0244 2337 ALA 54 O -0.0383 -0.0274 -0.0221 2338 ALA 54 CB -0.0377 -0.0229 -0.0301 2339 PRO 55 N -0.0392 -0.0285 -0.0242 2340 PRO 55 CA -0.0382 -0.0300 -0.0193 2341 PRO 55 C -0.0344 -0.0275 -0.0163 2342 PRO 55 O -0.0332 -0.0283 -0.0123 2343 PRO 55 CB -0.0388 -0.0306 -0.0194 2344 PRO 55 CG -0.0413 -0.0308 -0.0242 2345 PRO 55 CD -0.0405 -0.0283 -0.0272 2346 GLY 56 N -0.0327 -0.0245 -0.0183 2347 GLY 56 CA -0.0290 -0.0220 -0.0158 2348 GLY 56 C -0.0284 -0.0229 -0.0127 2349 GLY 56 O -0.0307 -0.0252 -0.0132 2350 ALA 57 N -0.0249 -0.0191 -0.0121 2351 ALA 57 CA -0.0242 -0.0191 -0.0103 2352 ALA 57 C -0.0243 -0.0185 -0.0116 2353 ALA 57 O -0.0250 -0.0183 -0.0140 2354 ALA 57 CB -0.0223 -0.0176 -0.0085 2355 GLN 58 N -0.0235 -0.0183 -0.0101 2356 GLN 58 CA -0.0234 -0.0178 -0.0110 2357 GLN 58 C -0.0225 -0.0157 -0.0132 2358 GLN 58 O -0.0223 -0.0151 -0.0139 2359 GLN 58 CB -0.0224 -0.0176 -0.0087 2360 GLN 58 CG -0.0230 -0.0182 -0.0090 2361 GLN 58 CD -0.0221 -0.0182 -0.0066 2362 GLN 58 OE1 -0.0226 -0.0197 -0.0047 2363 GLN 58 NE2 -0.0207 -0.0165 -0.0068 2364 LEU 59 N -0.0215 -0.0148 -0.0134 2365 LEU 59 CA -0.0203 -0.0121 -0.0163 2366 LEU 59 C -0.0230 -0.0130 -0.0194 2367 LEU 59 O -0.0234 -0.0116 -0.0225 2368 LEU 59 CB -0.0189 -0.0102 -0.0173 2369 LEU 59 CG -0.0157 -0.0084 -0.0150 2370 LEU 59 CD1 -0.0144 -0.0064 -0.0166 2371 LEU 59 CD2 -0.0138 -0.0068 -0.0147 2372 ILE 60 N -0.0249 -0.0152 -0.0184 2373 ILE 60 CA -0.0276 -0.0164 -0.0209 2374 ILE 60 C -0.0275 -0.0163 -0.0209 2375 ILE 60 O -0.0297 -0.0177 -0.0223 2376 ILE 60 CB -0.0304 -0.0196 -0.0199 2377 ILE 60 CG1 -0.0304 -0.0214 -0.0165 2378 ILE 60 CG2 -0.0302 -0.0198 -0.0193 2379 THR 61 N -0.0247 -0.0144 -0.0185 2380 THR 61 CA -0.0243 -0.0141 -0.0182 2381 THR 61 C -0.0216 -0.0115 -0.0186 2382 THR 61 O -0.0196 -0.0105 -0.0171 2383 THR 61 CB -0.0243 -0.0157 -0.0149 2384 THR 61 OG1 -0.0264 -0.0180 -0.0141 2385 THR 61 CG2 -0.0247 -0.0161 -0.0150 2386 TYR 62 N -0.0216 -0.0105 -0.0207 2387 TYR 62 CA -0.0191 -0.0080 -0.0213 2388 TYR 62 C -0.0170 -0.0076 -0.0183 2389 TYR 62 O -0.0148 -0.0059 -0.0177 2390 TYR 62 CB -0.0196 -0.0073 -0.0237 2391 TYR 62 CG -0.0213 -0.0071 -0.0270 2392 TYR 62 CD1 -0.0203 -0.0055 -0.0287 2393 TYR 62 CD2 -0.0237 -0.0086 -0.0284 2394 TYR 62 CE1 -0.0218 -0.0053 -0.0317 2395 TYR 62 CE2 -0.0252 -0.0085 -0.0314 2396 TYR 62 CZ -0.0242 -0.0068 -0.0330 2397 TYR 62 OH -0.0257 -0.0067 -0.0360 2398 PRO 63 N -0.0169 -0.0073 -0.0171 2399 PRO 63 CA -0.0147 -0.0072 -0.0141 2400 PRO 63 C -0.0135 -0.0075 -0.0118 2401 PRO 63 O -0.0116 -0.0074 -0.0093 2402 PRO 63 CB -0.0163 -0.0093 -0.0126 2403 PRO 63 CG -0.0190 -0.0100 -0.0153 2404 PRO 63 CD -0.0197 -0.0094 -0.0174 2405 ARG 64 N -0.0147 -0.0079 -0.0128 2406 ARG 64 CA -0.0138 -0.0083 -0.0108 2407 ARG 64 C -0.0120 -0.0060 -0.0123 2408 ARG 64 O -0.0099 -0.0053 -0.0106 2409 ARG 64 CB -0.0164 -0.0105 -0.0107 2410 ALA 65 N -0.0131 -0.0057 -0.0138 2411 ALA 65 CA -0.0118 -0.0039 -0.0153 2412 ALA 65 C -0.0090 -0.0020 -0.0144 2413 ALA 65 O -0.0073 -0.0008 -0.0141 2414 ALA 65 CB -0.0128 -0.0033 -0.0186 2415 LEU 66 N -0.0085 -0.0017 -0.0141 2416 LEU 66 CA -0.0060 -0.0000 -0.0133 2417 LEU 66 C -0.0044 0.0001 -0.0106 2418 LEU 66 O -0.0027 0.0016 -0.0108 2419 LEU 66 CB -0.0060 -0.0004 -0.0124 2420 LEU 66 CG -0.0066 0.0001 -0.0148 2421 LEU 66 CD1 -0.0054 0.0005 -0.0135 2422 LEU 66 CD2 -0.0058 0.0020 -0.0175 2423 TRP 67 N -0.0042 0.0004 -0.0097 2424 TRP 67 CA -0.0036 0.0004 -0.0077 2425 TRP 67 C -0.0037 0.0004 -0.0079 2426 TRP 67 O -0.0028 0.0009 -0.0066 2427 TRP 67 CB -0.0045 -0.0009 -0.0061 2428 TRP 67 CG -0.0043 -0.0012 -0.0042 2429 TRP 67 CD1 -0.0053 -0.0024 -0.0036 2430 TRP 67 CD2 -0.0029 -0.0004 -0.0026 2431 TRP 67 NE1 -0.0047 -0.0024 -0.0017 2432 TRP 67 CE2 -0.0033 -0.0012 -0.0011 2433 TRP 67 CE3 -0.0015 0.0009 -0.0024 2434 TRP 67 CZ2 -0.0022 -0.0007 0.0006 2435 TRP 67 CZ3 -0.0004 0.0014 -0.0006 2436 TRP 67 CH2 -0.0008 0.0006 0.0008 2437 TRP 68 N -0.0046 -0.0000 -0.0094 2438 TRP 68 CA -0.0047 -0.0000 -0.0097 2439 TRP 68 C -0.0035 0.0014 -0.0108 2440 TRP 68 O -0.0028 0.0020 -0.0102 2441 TRP 68 CB -0.0063 -0.0011 -0.0110 2442 TRP 68 CG -0.0063 -0.0009 -0.0117 2443 TRP 68 CD1 -0.0063 -0.0012 -0.0107 2444 TRP 68 CD2 -0.0062 -0.0003 -0.0138 2445 TRP 68 NE1 -0.0063 -0.0009 -0.0119 2446 TRP 68 CE2 -0.0062 -0.0003 -0.0138 2447 TRP 68 CE3 -0.0062 0.0003 -0.0155 2448 TRP 68 CZ2 -0.0062 0.0003 -0.0156 2449 TRP 68 CZ3 -0.0062 0.0008 -0.0173 2450 TRP 68 CH2 -0.0062 0.0008 -0.0173 2451 SER 69 N -0.0032 0.0020 -0.0119 2452 SER 69 CA -0.0021 0.0037 -0.0131 2453 SER 69 C -0.0005 0.0047 -0.0115 2454 SER 69 O 0.0005 0.0057 -0.0114 2455 SER 69 CB -0.0023 0.0043 -0.0148 2456 SER 69 OG -0.0035 0.0037 -0.0165 2457 VAL 70 N -0.0003 0.0044 -0.0103 2458 VAL 70 CA 0.0012 0.0053 -0.0087 2459 VAL 70 C 0.0017 0.0051 -0.0071 2460 VAL 70 O 0.0029 0.0064 -0.0068 2461 VAL 70 CB 0.0012 0.0048 -0.0075 2462 VAL 70 CG1 0.0027 0.0057 -0.0058 2463 VAL 70 CG2 0.0009 0.0052 -0.0090 2464 GLU 71 N 0.0004 0.0042 -0.0065 2465 GLU 71 CA 0.0007 0.0039 -0.0051 2466 GLU 71 C 0.0010 0.0045 -0.0059 2467 GLU 71 O 0.0019 0.0053 -0.0050 2468 GLU 71 CB -0.0003 0.0022 -0.0044 2469 THR 72 N 0.0002 0.0043 -0.0074 2470 THR 72 CA 0.0003 0.0049 -0.0083 2471 THR 72 C 0.0015 0.0066 -0.0087 2472 THR 72 O 0.0023 0.0073 -0.0082 2473 THR 72 CB -0.0008 0.0044 -0.0101 2474 THR 72 OG1 -0.0019 0.0027 -0.0098 2475 THR 72 CG2 -0.0006 0.0050 -0.0110 2476 ALA 73 N 0.0022 0.0066 -0.0083 2477 ALA 73 CA 0.0032 0.0076 -0.0088 2478 ALA 73 C 0.0042 0.0081 -0.0076 2479 ALA 73 O 0.0050 0.0089 -0.0078 2480 ALA 73 CB 0.0033 0.0079 -0.0093 2481 THR 74 N 0.0041 0.0076 -0.0063 2482 THR 74 CA 0.0050 0.0080 -0.0051 2483 THR 74 C 0.0048 0.0078 -0.0047 2484 THR 74 O 0.0056 0.0082 -0.0039 2485 THR 74 CB 0.0049 0.0076 -0.0039 2486 THR 74 OG1 0.0047 0.0075 -0.0043 2487 THR 74 CG2 0.0059 0.0081 -0.0028 2488 THR 75 N 0.0027 0.0075 -0.0052 2489 THR 75 CA 0.0027 0.0071 -0.0046 2490 THR 75 C 0.0029 0.0067 -0.0033 2491 THR 75 O 0.0034 0.0072 -0.0025 2492 THR 75 CB 0.0031 0.0079 -0.0048 2493 THR 75 OG1 0.0035 0.0079 -0.0036 2494 THR 75 CG2 0.0036 0.0090 -0.0053 2495 VAL 76 N 0.0023 0.0058 -0.0031 2496 VAL 76 CA 0.0024 0.0052 -0.0018 2497 VAL 76 C 0.0018 0.0041 -0.0017 2498 VAL 76 O 0.0018 0.0036 -0.0007 2499 VAL 76 CB 0.0024 0.0052 -0.0017 2500 VAL 76 CG1 0.0027 0.0049 -0.0004 2501 VAL 76 CG2 0.0029 0.0062 -0.0022 2502 GLY 77 N -0.0001 0.0034 -0.0026 2503 GLY 77 CA -0.0010 0.0021 -0.0027 2504 GLY 77 C -0.0014 0.0012 -0.0014 2505 GLY 77 O -0.0015 0.0007 -0.0003 2506 TYR 78 N -0.0017 0.0008 -0.0015 2507 TYR 78 CA -0.0021 -0.0001 -0.0003 2508 TYR 78 C -0.0029 -0.0014 -0.0003 2509 TYR 78 O -0.0032 -0.0020 0.0010 2510 TYR 78 CB -0.0022 -0.0002 -0.0007 2511 TYR 78 CG -0.0015 0.0007 0.0001 2512 TYR 78 CD1 -0.0011 0.0008 0.0017 2513 TYR 78 CD2 -0.0011 0.0014 -0.0007 2514 TYR 78 CE1 -0.0003 0.0017 0.0024 2515 TYR 78 CE2 -0.0003 0.0023 0.0000 2516 TYR 78 CZ 0.0001 0.0025 0.0016 2517 TYR 78 OH 0.0008 0.0034 0.0023 2518 GLY 79 N -0.0029 -0.0032 -0.0012 2519 GLY 79 CA -0.0047 -0.0048 -0.0015 2520 GLY 79 C -0.0064 -0.0064 -0.0018 2521 GLY 79 O -0.0081 -0.0077 -0.0027 2522 ASP 80 N -0.0060 -0.0063 -0.0011 2523 ASP 80 CA -0.0074 -0.0077 -0.0013 2524 ASP 80 C -0.0087 -0.0078 -0.0040 2525 ASP 80 O -0.0103 -0.0092 -0.0045 2526 ASP 80 CB -0.0065 -0.0071 -0.0004 2527 ASP 80 CG -0.0058 -0.0055 -0.0024 2528 ASP 80 OD1 -0.0043 -0.0038 -0.0030 2529 ASP 80 OD2 -0.0067 -0.0060 -0.0034 2530 LEU 81 N -0.0078 -0.0092 -0.0028 2531 LEU 81 CA -0.0089 -0.0090 -0.0054 2532 LEU 81 C -0.0082 -0.0073 -0.0067 2533 LEU 81 O -0.0065 -0.0057 -0.0061 2534 LEU 81 CB -0.0090 -0.0084 -0.0066 2535 LEU 81 CG -0.0099 -0.0099 -0.0057 2536 LEU 81 CD1 -0.0098 -0.0089 -0.0071 2537 LEU 81 CD2 -0.0119 -0.0119 -0.0061 2538 TYR 82 N -0.0095 -0.0076 -0.0086 2539 TYR 82 CA -0.0090 -0.0062 -0.0102 2540 TYR 82 C -0.0108 -0.0068 -0.0124 2541 TYR 82 O -0.0124 -0.0086 -0.0125 2542 TYR 82 CB -0.0081 -0.0060 -0.0087 2543 TYR 82 CG -0.0092 -0.0081 -0.0074 2544 TYR 82 CD1 -0.0093 -0.0095 -0.0053 2545 TYR 82 CD2 -0.0101 -0.0086 -0.0082 2546 TYR 82 CE1 -0.0103 -0.0113 -0.0041 2547 TYR 82 CE2 -0.0110 -0.0104 -0.0070 2548 TYR 82 CZ -0.0111 -0.0118 -0.0049 2549 TYR 82 OH -0.0120 -0.0136 -0.0036 2550 PRO 83 N -0.0117 -0.0063 -0.0142 2551 PRO 83 CA -0.0140 -0.0067 -0.0171 2552 PRO 83 C -0.0149 -0.0079 -0.0169 2553 PRO 83 O -0.0133 -0.0074 -0.0152 2554 PRO 83 CB -0.0130 -0.0038 -0.0197 2555 PRO 83 CG -0.0101 -0.0018 -0.0181 2556 PRO 83 CD -0.0093 -0.0032 -0.0146 2557 VAL 84 N -0.0174 -0.0094 -0.0187 2558 VAL 84 CA -0.0186 -0.0106 -0.0189 2559 VAL 84 C -0.0200 -0.0097 -0.0224 2560 VAL 84 O -0.0208 -0.0100 -0.0232 2561 VAL 84 CB -0.0206 -0.0139 -0.0174 2562 VAL 84 CG1 -0.0207 -0.0149 -0.0161 2563 VAL 84 CG2 -0.0198 -0.0149 -0.0148 2564 THR 85 N -0.0217 -0.0095 -0.0241 2565 THR 85 CA -0.0230 -0.0084 -0.0276 2566 THR 85 C -0.0212 -0.0050 -0.0281 2567 THR 85 O -0.0192 -0.0030 -0.0269 2568 THR 85 CB -0.0242 -0.0080 -0.0300 2569 THR 85 OG1 -0.0250 -0.0105 -0.0287 2570 THR 85 CG2 -0.0263 -0.0081 -0.0335 2571 LEU 86 N -0.0218 -0.0044 -0.0298 2572 LEU 86 CA -0.0201 -0.0012 -0.0303 2573 LEU 86 C -0.0191 0.0015 -0.0316 2574 LEU 86 O -0.0169 0.0038 -0.0303 2575 LEU 86 CB -0.0213 -0.0009 -0.0328 2576 LEU 86 CG -0.0196 0.0020 -0.0329 2577 LEU 86 CD1 -0.0181 0.0012 -0.0295 2578 LEU 86 CD2 -0.0211 0.0024 -0.0358 2579 TRP 87 N -0.0213 0.0002 -0.0339 2580 TRP 87 CA -0.0202 0.0024 -0.0352 2581 TRP 87 C -0.0181 0.0020 -0.0320 2582 TRP 87 O -0.0154 0.0044 -0.0314 2583 TRP 87 CB -0.0231 0.0016 -0.0382 2584 TRP 87 CG -0.0240 0.0038 -0.0421 2585 TRP 87 CD1 -0.0254 0.0047 -0.0452 2586 TRP 87 CD2 -0.0235 0.0053 -0.0434 2587 TRP 87 NE1 -0.0258 0.0068 -0.0483 2588 TRP 87 CE2 -0.0247 0.0072 -0.0473 2589 TRP 87 CE3 -0.0222 0.0054 -0.0417 2590 TRP 87 CZ2 -0.0246 0.0091 -0.0495 2591 TRP 87 CZ3 -0.0221 0.0072 -0.0439 2592 TRP 87 CH2 -0.0233 0.0090 -0.0478 2593 GLY 88 N -0.0195 -0.0012 -0.0299 2594 GLY 88 CA -0.0178 -0.0019 -0.0267 2595 GLY 88 C -0.0143 -0.0001 -0.0243 2596 GLY 88 O -0.0121 0.0009 -0.0226 2597 ARG 89 N -0.0140 0.0006 -0.0236 2598 ARG 89 CA -0.0109 0.0020 -0.0220 2599 ARG 89 C -0.0096 0.0053 -0.0233 2600 ARG 89 O -0.0071 0.0065 -0.0220 2601 ARG 89 CB -0.0105 0.0021 -0.0216 2602 ARG 89 CG -0.0118 -0.0011 -0.0204 2603 ARG 89 CD -0.0097 -0.0016 -0.0182 2604 ARG 89 NE -0.0099 -0.0048 -0.0160 2605 ARG 89 CZ -0.0099 -0.0065 -0.0148 2606 ARG 89 NH1 -0.0097 -0.0052 -0.0156 2607 ARG 89 NH2 -0.0101 -0.0094 -0.0128 2608 CYS 90 N -0.0114 0.0068 -0.0260 2609 CYS 90 CA -0.0104 0.0099 -0.0275 2610 CYS 90 C -0.0098 0.0097 -0.0267 2611 CYS 90 O -0.0073 0.0111 -0.0257 2612 CYS 90 CB -0.0128 0.0112 -0.0304 2613 CYS 90 SG -0.0125 0.0135 -0.0318 2614 VAL 91 N -0.0097 0.0059 -0.0265 2615 VAL 91 CA -0.0089 0.0064 -0.0258 2616 VAL 91 C -0.0069 0.0065 -0.0227 2617 VAL 91 O -0.0052 0.0080 -0.0221 2618 VAL 91 CB -0.0109 0.0042 -0.0260 2619 VAL 91 CG1 -0.0101 0.0047 -0.0253 2620 VAL 91 CG2 -0.0129 0.0041 -0.0291 2621 ALA 92 N -0.0070 0.0050 -0.0207 2622 ALA 92 CA -0.0052 0.0050 -0.0178 2623 ALA 92 C -0.0029 0.0077 -0.0178 2624 ALA 92 O -0.0011 0.0090 -0.0168 2625 ALA 92 CB -0.0058 0.0030 -0.0159 2626 VAL 93 N -0.0046 0.0078 -0.0179 2627 VAL 93 CA -0.0025 0.0094 -0.0187 2628 VAL 93 C -0.0014 0.0102 -0.0191 2629 VAL 93 O 0.0007 0.0106 -0.0182 2630 VAL 93 CB -0.0031 0.0107 -0.0208 2631 VAL 93 CG1 -0.0015 0.0126 -0.0223 2632 VAL 93 CG2 -0.0027 0.0106 -0.0203 2633 VAL 94 N -0.0029 0.0105 -0.0204 2634 VAL 94 CA -0.0021 0.0113 -0.0209 2635 VAL 94 C -0.0009 0.0103 -0.0188 2636 VAL 94 O 0.0013 0.0110 -0.0183 2637 VAL 94 CB -0.0043 0.0112 -0.0222 2638 VAL 94 CG1 -0.0037 0.0112 -0.0219 2639 VAL 94 CG2 -0.0049 0.0127 -0.0246 2640 VAL 95 N -0.0006 0.0086 -0.0177 2641 VAL 95 CA 0.0000 0.0086 -0.0162 2642 VAL 95 C 0.0013 0.0091 -0.0143 2643 VAL 95 O 0.0022 0.0095 -0.0130 2644 VAL 95 CB -0.0012 0.0069 -0.0155 2645 VAL 95 CG1 -0.0020 0.0056 -0.0144 2646 VAL 95 CG2 -0.0005 0.0070 -0.0140 2647 MET 96 N 0.0013 0.0090 -0.0140 2648 MET 96 CA 0.0025 0.0095 -0.0123 2649 MET 96 C 0.0040 0.0114 -0.0127 2650 MET 96 O 0.0051 0.0121 -0.0117 2651 MET 96 CB 0.0020 0.0087 -0.0119 2652 MET 96 CG 0.0016 0.0073 -0.0099 2653 MET 96 SD -0.0001 0.0056 -0.0103 2654 MET 96 CE 0.0006 0.0055 -0.0085 2655 VAL 97 N 0.0035 0.0089 -0.0128 2656 VAL 97 CA 0.0051 0.0098 -0.0135 2657 VAL 97 C 0.0058 0.0098 -0.0130 2658 VAL 97 O 0.0074 0.0100 -0.0124 2659 VAL 97 CB 0.0048 0.0107 -0.0154 2660 VAL 97 CG1 0.0034 0.0105 -0.0160 2661 VAL 97 CG2 0.0043 0.0109 -0.0162 2662 ALA 98 N 0.0047 0.0095 -0.0131 2663 ALA 98 CA 0.0052 0.0094 -0.0126 2664 ALA 98 C 0.0065 0.0090 -0.0110 2665 ALA 98 O 0.0079 0.0093 -0.0108 2666 ALA 98 CB 0.0036 0.0087 -0.0123 2667 GLY 99 N 0.0065 0.0100 -0.0088 2668 GLY 99 CA 0.0069 0.0101 -0.0081 2669 GLY 99 C 0.0074 0.0106 -0.0077 2670 GLY 99 O 0.0079 0.0110 -0.0074 2671 ILE 100 N 0.0074 0.0105 -0.0076 2672 ILE 100 CA 0.0079 0.0109 -0.0072 2673 ILE 100 C 0.0083 0.0117 -0.0076 2674 ILE 100 O 0.0087 0.0121 -0.0072 2675 ILE 100 CB 0.0078 0.0108 -0.0072 2676 ILE 100 CG1 0.0073 0.0100 -0.0071 2677 ILE 100 CG2 0.0083 0.0111 -0.0066 2678 ILE 100 CD1 0.0072 0.0098 -0.0072 2679 THR 101 N 0.0105 0.0072 -0.0068 2680 THR 101 CA 0.0103 0.0068 -0.0065 2681 THR 101 C 0.0101 0.0064 -0.0064 2682 THR 101 O 0.0100 0.0060 -0.0065 2683 THR 101 CB 0.0103 0.0071 -0.0060 2684 THR 101 OG1 0.0104 0.0072 -0.0061 2685 THR 101 CG2 0.0101 0.0067 -0.0056 2686 SER 102 N 0.0101 0.0065 -0.0060 2687 SER 102 CA 0.0099 0.0061 -0.0059 2688 SER 102 C 0.0099 0.0058 -0.0064 2689 SER 102 O 0.0098 0.0053 -0.0063 2690 SER 102 CB 0.0100 0.0064 -0.0057 2691 SER 102 OG 0.0099 0.0062 -0.0059 2692 PHE 103 N 0.0101 0.0054 -0.0041 2693 PHE 103 CA 0.0099 0.0053 -0.0046 2694 PHE 103 C 0.0096 0.0048 -0.0049 2695 PHE 103 O 0.0094 0.0044 -0.0051 2696 PHE 103 CB 0.0100 0.0058 -0.0051 2697 PHE 103 CG 0.0101 0.0062 -0.0051 2698 PHE 103 CD1 0.0100 0.0059 -0.0052 2699 PHE 103 CD2 0.0104 0.0067 -0.0049 2700 PHE 103 CE1 0.0101 0.0062 -0.0052 2701 PHE 103 CE2 0.0105 0.0070 -0.0049 2702 PHE 103 CZ 0.0104 0.0068 -0.0050 2703 GLY 104 N 0.0096 0.0048 -0.0048 2704 GLY 104 CA 0.0094 0.0043 -0.0050 2705 GLY 104 C 0.0092 0.0037 -0.0048 2706 GLY 104 O 0.0090 0.0033 -0.0051 2707 LEU 105 N 0.0092 0.0002 -0.0026 2708 LEU 105 CA 0.0090 -0.0008 -0.0021 2709 LEU 105 C 0.0084 -0.0007 -0.0029 2710 LEU 105 O 0.0076 -0.0016 -0.0032 2711 LEU 105 CB 0.0101 -0.0008 -0.0008 2712 LEU 105 CG 0.0103 -0.0018 0.0002 2713 LEU 105 CD1 0.0112 -0.0011 0.0007 2714 LEU 105 CD2 0.0107 -0.0025 0.0012 2715 VAL 106 N 0.0089 0.0005 -0.0032 2716 VAL 106 CA 0.0084 0.0008 -0.0040 2717 VAL 106 C 0.0072 0.0004 -0.0051 2718 VAL 106 O 0.0066 -0.0000 -0.0056 2719 VAL 106 CB 0.0090 0.0023 -0.0044 2720 VAL 106 CG1 0.0084 0.0026 -0.0053 2721 VAL 106 CG2 0.0101 0.0028 -0.0033 2722 THR 107 N 0.0064 -0.0003 -0.0037 2723 THR 107 CA 0.0053 -0.0007 -0.0047 2724 THR 107 C 0.0040 -0.0019 -0.0036 2725 THR 107 O 0.0025 -0.0025 -0.0043 2726 THR 107 CB 0.0060 -0.0001 -0.0049 2727 THR 107 OG1 0.0063 0.0008 -0.0066 2728 THR 107 CG2 0.0049 -0.0009 -0.0046 2729 ALA 108 N 0.0045 -0.0023 -0.0019 2730 ALA 108 CA 0.0034 -0.0035 -0.0007 2731 ALA 108 C 0.0022 -0.0041 -0.0010 2732 ALA 108 O 0.0007 -0.0049 -0.0014 2733 ALA 108 CB 0.0043 -0.0037 0.0012 2734 ALA 109 N 0.0034 -0.0054 -0.0015 2735 ALA 109 CA 0.0029 -0.0056 -0.0017 2736 ALA 109 C 0.0021 -0.0056 -0.0026 2737 ALA 109 O 0.0013 -0.0061 -0.0026 2738 ALA 109 CB 0.0036 -0.0051 -0.0019 2739 LEU 110 N 0.0023 -0.0051 -0.0034 2740 LEU 110 CA 0.0016 -0.0050 -0.0043 2741 LEU 110 C 0.0009 -0.0055 -0.0043 2742 LEU 110 O 0.0001 -0.0057 -0.0047 2743 LEU 110 CB 0.0021 -0.0043 -0.0051 2744 LEU 110 CG 0.0025 -0.0039 -0.0057 2745 LEU 110 CD1 0.0032 -0.0038 -0.0050 2746 LEU 110 CD2 0.0029 -0.0032 -0.0065 2747 ALA 111 N -0.0002 -0.0067 -0.0031 2748 ALA 111 CA -0.0007 -0.0071 -0.0032 2749 ALA 111 C -0.0021 -0.0082 -0.0025 2750 ALA 111 O -0.0029 -0.0088 -0.0030 2751 ALA 111 CB 0.0003 -0.0064 -0.0022 2752 THR 112 N -0.0024 -0.0084 -0.0012 2753 THR 112 CA -0.0037 -0.0094 -0.0003 2754 THR 112 C -0.0047 -0.0102 -0.0013 2755 THR 112 O -0.0059 -0.0111 -0.0015 2756 THR 112 CB -0.0036 -0.0094 0.0015 2757 THR 112 OG1 -0.0040 -0.0097 0.0017 2758 THR 112 CG2 -0.0021 -0.0083 0.0022 2759 TRP 113 N -0.0022 -0.0094 -0.0024 2760 TRP 113 CA -0.0026 -0.0094 -0.0030 2761 TRP 113 C -0.0033 -0.0094 -0.0039 2762 TRP 113 O -0.0038 -0.0094 -0.0045 2763 TRP 113 CB -0.0019 -0.0089 -0.0034 2764 TRP 113 CG -0.0024 -0.0088 -0.0040 2765 TRP 113 CD1 -0.0028 -0.0092 -0.0037 2766 TRP 113 CD2 -0.0024 -0.0084 -0.0050 2767 TRP 113 NE1 -0.0031 -0.0090 -0.0045 2768 TRP 113 CE2 -0.0029 -0.0086 -0.0053 2769 TRP 113 CE3 -0.0021 -0.0080 -0.0057 2770 TRP 113 CZ2 -0.0030 -0.0083 -0.0063 2771 TRP 113 CZ3 -0.0022 -0.0077 -0.0067 2772 TRP 113 CH2 -0.0027 -0.0078 -0.0070 2773 PHE 114 N -0.0033 -0.0094 -0.0039 2774 PHE 114 CA -0.0038 -0.0094 -0.0047 2775 PHE 114 C -0.0046 -0.0099 -0.0042 2776 PHE 114 O -0.0053 -0.0101 -0.0047 2777 PHE 114 CB -0.0033 -0.0089 -0.0051 2778 PHE 114 CG -0.0029 -0.0084 -0.0060 2779 PHE 114 CD1 -0.0031 -0.0083 -0.0063 2780 PHE 114 CD2 -0.0024 -0.0079 -0.0065 2781 PHE 114 CE1 -0.0027 -0.0078 -0.0071 2782 PHE 114 CE2 -0.0021 -0.0074 -0.0073 2783 PHE 114 CZ -0.0022 -0.0074 -0.0076 2784 VAL 115 N -0.0066 -0.0121 -0.0032 2785 VAL 115 CA -0.0081 -0.0146 -0.0024 2786 VAL 115 C -0.0086 -0.0165 -0.0011 2787 VAL 115 O -0.0104 -0.0187 -0.0011 2788 VAL 115 CB -0.0069 -0.0150 -0.0004 2789 VAL 115 CG1 -0.0080 -0.0178 0.0012 2790 VAL 115 CG2 -0.0071 -0.0138 -0.0020 2791 GLY 116 N -0.0071 -0.0155 -0.0000 2792 GLY 116 CA -0.0074 -0.0171 0.0012 2793 GLY 116 C -0.0092 -0.0174 -0.0009 2794 GLY 116 O -0.0092 -0.0177 -0.0006 2795 ARG 117 N -0.0097 -0.0163 -0.0010 2796 ARG 117 CA -0.0122 -0.0172 -0.0044 2797 ARG 117 C -0.0149 -0.0197 -0.0069 2798 ARG 117 O -0.0166 -0.0184 -0.0109 2799 ARG 117 CB -0.0117 -0.0129 -0.0073 2800 ARG 117 CG -0.0102 -0.0115 -0.0059 2801 ARG 117 CD -0.0124 -0.0136 -0.0080 2802 ARG 117 NE -0.0110 -0.0125 -0.0064 2803 GLU 118 N -0.0152 -0.0231 -0.0045 2804 GLU 118 CA -0.0176 -0.0259 -0.0062 2805 GLU 118 C -0.0198 -0.0304 -0.0059 2806 GLU 118 O -0.0224 -0.0330 -0.0082 2807 GLU 118 CB -0.0164 -0.0266 -0.0035 2808 GLU 118 CG -0.0151 -0.0294 0.0012 2809 GLU 118 CD -0.0143 -0.0306 0.0036 2810 GLU 118 OE1 -0.0153 -0.0302 0.0015 2811 GLU 118 OE2 -0.0127 -0.0320 0.0076 2812 GLN 119 N -0.0217 -0.0366 -0.0041 2813 GLN 119 CA -0.0253 -0.0429 -0.0032 2814 GLN 119 C -0.0290 -0.0437 -0.0101 2815 GLN 119 O -0.0331 -0.0490 -0.0116 2816 GLN 119 CB -0.0230 -0.0434 0.0023 2817 GLN 119 CG -0.0221 -0.0396 -0.0009 2818 GLN 119 CD -0.0175 -0.0355 0.0035 2819 GLN 119 OE1 -0.0172 -0.0356 0.0041 2820 GLN 119 NE2 -0.0138 -0.0319 0.0065