1 ILE 16 N 0.0003 0.0082 0.0132 2 ILE 16 CA 0.0019 0.0080 0.0133 3 ILE 16 C 0.0026 0.0089 0.0148 4 ILE 16 O 0.0029 0.0093 0.0153 5 ILE 16 CB 0.0031 0.0071 0.0125 6 ILE 16 CG1 0.0024 0.0062 0.0111 7 ILE 16 CG2 0.0046 0.0069 0.0127 8 ILE 16 CD1 0.0022 0.0058 0.0104 9 VAL 17 N 0.0029 0.0093 0.0153 10 VAL 17 CA 0.0036 0.0101 0.0167 11 VAL 17 C 0.0053 0.0097 0.0167 12 VAL 17 O 0.0058 0.0091 0.0160 13 VAL 17 CB 0.0028 0.0108 0.0174 14 VAL 17 CG1 0.0035 0.0117 0.0188 15 VAL 17 CG2 0.0010 0.0112 0.0173 16 GLY 18 N 0.0067 0.0102 0.0177 17 GLY 18 CA 0.0084 0.0098 0.0179 18 GLY 18 C 0.0093 0.0087 0.0168 19 GLY 18 O 0.0106 0.0081 0.0167 20 GLY 19 N 0.0085 0.0083 0.0161 21 GLY 19 CA 0.0093 0.0073 0.0151 22 GLY 19 C 0.0102 0.0074 0.0156 23 GLY 19 O 0.0107 0.0081 0.0168 24 TYR 20 N 0.0105 0.0066 0.0150 25 TYR 20 CA 0.0112 0.0065 0.0153 26 TYR 20 C 0.0103 0.0061 0.0142 27 TYR 20 O 0.0096 0.0056 0.0131 28 TYR 20 CB 0.0130 0.0059 0.0151 29 TYR 20 CG 0.0134 0.0048 0.0137 30 TYR 20 CD1 0.0135 0.0040 0.0126 31 TYR 20 CD2 0.0135 0.0046 0.0135 32 TYR 20 CE1 0.0138 0.0031 0.0113 33 TYR 20 CE2 0.0138 0.0037 0.0123 34 TYR 20 CZ 0.0139 0.0029 0.0112 35 TYR 20 OH 0.0142 0.0019 0.0099 36 THR 21 N 0.0105 0.0063 0.0146 37 THR 21 CA 0.0097 0.0059 0.0136 38 THR 21 C 0.0105 0.0048 0.0124 39 THR 21 O 0.0120 0.0044 0.0125 40 THR 21 CB 0.0098 0.0064 0.0144 41 THR 21 OG1 0.0089 0.0074 0.0155 42 THR 21 CG2 0.0090 0.0059 0.0134 43 CYS 22 N 0.0097 0.0041 0.0113 44 CYS 22 CA 0.0104 0.0029 0.0100 45 CYS 22 C 0.0111 0.0026 0.0099 46 CYS 22 O 0.0105 0.0032 0.0104 47 CYS 22 CB 0.0090 0.0024 0.0086 48 CYS 22 SG 0.0076 0.0028 0.0085 49 GLN 23 N 0.0124 0.0016 0.0093 50 GLN 23 CA 0.0131 0.0012 0.0091 51 GLN 23 C 0.0117 0.0009 0.0080 52 GLN 23 O 0.0109 0.0005 0.0070 53 GLN 23 CB 0.0146 0.0001 0.0084 54 GLN 23 CG 0.0155 -0.0004 0.0081 55 GLN 23 CD 0.0171 -0.0013 0.0077 56 GLN 23 OE1 0.0173 -0.0021 0.0067 57 GLN 23 NE2 0.0184 -0.0013 0.0084 58 GLU 24 N 0.0116 0.0013 0.0085 59 GLU 24 CA 0.0102 0.0011 0.0075 60 GLU 24 C 0.0102 0.0000 0.0059 61 GLU 24 O 0.0114 -0.0008 0.0054 62 GLU 24 CB 0.0103 0.0013 0.0079 63 GLU 24 CG 0.0087 0.0015 0.0074 64 GLU 24 CD 0.0088 0.0017 0.0077 65 GLU 24 OE1 0.0093 0.0024 0.0090 66 GLU 24 OE2 0.0084 0.0011 0.0067 67 ASN 25 N 0.0088 -0.0000 0.0051 68 ASN 25 CA 0.0085 -0.0010 0.0036 69 ASN 25 C 0.0097 -0.0018 0.0030 70 ASN 25 O 0.0101 -0.0027 0.0018 71 ASN 25 CB 0.0086 -0.0015 0.0028 72 ASN 25 CG 0.0072 -0.0009 0.0031 73 ASN 25 OD1 0.0074 -0.0010 0.0031 74 ASN 25 ND2 0.0059 -0.0001 0.0035 75 SER 26 N 0.0103 -0.0013 0.0039 76 SER 26 CA 0.0113 -0.0019 0.0035 77 SER 26 C 0.0103 -0.0021 0.0028 78 SER 26 O 0.0109 -0.0027 0.0022 79 SER 26 CB 0.0125 -0.0014 0.0048 80 SER 26 OG 0.0117 -0.0004 0.0057 81 VAL 27 N 0.0087 -0.0015 0.0027 82 VAL 27 CA 0.0074 -0.0016 0.0021 83 VAL 27 C 0.0061 -0.0018 0.0011 84 VAL 27 O 0.0047 -0.0011 0.0014 85 VAL 27 CB 0.0067 -0.0005 0.0032 86 VAL 27 CG1 0.0057 -0.0007 0.0025 87 VAL 27 CG2 0.0080 -0.0001 0.0044 88 PRO 28 N 0.0067 -0.0027 -0.0001 89 PRO 28 CA 0.0055 -0.0031 -0.0011 90 PRO 28 C 0.0040 -0.0032 -0.0020 91 PRO 28 O 0.0028 -0.0033 -0.0027 92 PRO 28 CB 0.0067 -0.0041 -0.0021 93 PRO 28 CG 0.0080 -0.0045 -0.0021 94 PRO 28 CD 0.0083 -0.0035 -0.0005 95 TYR 29 N 0.0040 -0.0032 -0.0020 96 TYR 29 CA 0.0026 -0.0033 -0.0027 97 TYR 29 C 0.0013 -0.0022 -0.0018 98 TYR 29 O -0.0000 -0.0022 -0.0023 99 TYR 29 CB 0.0033 -0.0039 -0.0033 100 TYR 29 CG 0.0045 -0.0035 -0.0022 101 TYR 29 CD1 0.0039 -0.0026 -0.0012 102 TYR 29 CD2 0.0062 -0.0040 -0.0022 103 TYR 29 CE1 0.0050 -0.0022 -0.0001 104 TYR 29 CE2 0.0074 -0.0036 -0.0012 105 TYR 29 CZ 0.0068 -0.0027 -0.0001 106 TYR 29 OH 0.0079 -0.0023 0.0010 107 GLN 30 N 0.0015 -0.0013 -0.0002 108 GLN 30 CA 0.0003 -0.0003 0.0008 109 GLN 30 C -0.0011 0.0001 0.0006 110 GLN 30 O -0.0009 -0.0002 0.0004 111 GLN 30 CB 0.0012 0.0005 0.0024 112 GLN 30 CG 0.0001 0.0017 0.0035 113 GLN 30 CD -0.0003 0.0021 0.0039 114 GLN 30 OE1 -0.0017 0.0026 0.0040 115 GLN 30 NE2 0.0010 0.0019 0.0043 116 VAL 31 N -0.0026 0.0005 0.0006 117 VAL 31 CA -0.0040 0.0009 0.0005 118 VAL 31 C -0.0050 0.0020 0.0017 119 VAL 31 O -0.0048 0.0024 0.0023 120 VAL 31 CB -0.0052 0.0002 -0.0010 121 VAL 31 CG1 -0.0042 -0.0009 -0.0022 122 VAL 31 CG2 -0.0061 0.0004 -0.0011 123 SER 32 N -0.0060 0.0028 0.0023 124 SER 32 CA -0.0070 0.0039 0.0034 125 SER 32 C -0.0088 0.0039 0.0026 126 SER 32 O -0.0092 0.0034 0.0017 127 SER 32 CB -0.0068 0.0045 0.0045 128 SER 32 OG -0.0081 0.0055 0.0053 129 LEU 33 N -0.0097 0.0044 0.0029 130 LEU 33 CA -0.0114 0.0044 0.0023 131 LEU 33 C -0.0123 0.0054 0.0034 132 LEU 33 O -0.0121 0.0062 0.0046 133 LEU 33 CB -0.0119 0.0044 0.0020 134 LEU 33 CG -0.0118 0.0034 0.0006 135 LEU 33 CD1 -0.0103 0.0026 -0.0000 136 LEU 33 CD2 -0.0119 0.0035 0.0006 137 ASN 34 N -0.0131 0.0057 0.0029 138 ASN 34 CA -0.0140 0.0066 0.0039 139 ASN 34 C -0.0158 0.0068 0.0033 140 ASN 34 O -0.0163 0.0061 0.0021 141 ASN 34 CB -0.0132 0.0065 0.0041 142 ASN 34 CG -0.0139 0.0074 0.0052 143 ASN 34 OD1 -0.0153 0.0078 0.0050 144 ASN 34 ND2 -0.0128 0.0078 0.0063 145 SER 37 N -0.0165 0.0078 0.0040 146 SER 37 CA -0.0182 0.0081 0.0036 147 SER 37 C -0.0188 0.0090 0.0047 148 SER 37 O -0.0201 0.0096 0.0048 149 SER 37 CB -0.0190 0.0082 0.0034 150 SER 37 OG -0.0205 0.0083 0.0027 151 GLY 38 N -0.0178 0.0092 0.0054 152 GLY 38 CA -0.0181 0.0101 0.0065 153 GLY 38 C -0.0167 0.0103 0.0076 154 GLY 38 O -0.0163 0.0107 0.0084 155 TYR 39 N -0.0155 0.0111 0.0081 156 TYR 39 CA -0.0145 0.0108 0.0090 157 TYR 39 C -0.0134 0.0100 0.0084 158 TYR 39 O -0.0136 0.0099 0.0073 159 TYR 39 CB -0.0147 0.0111 0.0102 160 TYR 39 CG -0.0150 0.0112 0.0099 161 TYR 39 CD1 -0.0141 0.0107 0.0096 162 TYR 39 CD2 -0.0161 0.0119 0.0098 163 TYR 39 CE1 -0.0144 0.0108 0.0093 164 TYR 39 CE2 -0.0164 0.0120 0.0095 165 TYR 39 CZ -0.0155 0.0114 0.0092 166 TYR 39 OH -0.0158 0.0115 0.0089 167 HIS 40 N -0.0124 0.0095 0.0089 168 HIS 40 CA -0.0113 0.0088 0.0084 169 HIS 40 C -0.0112 0.0088 0.0084 170 HIS 40 O -0.0112 0.0090 0.0095 171 HIS 40 CB -0.0102 0.0084 0.0092 172 HIS 40 CG -0.0091 0.0077 0.0089 173 HIS 40 ND1 -0.0085 0.0071 0.0078 174 HIS 40 CD2 -0.0085 0.0075 0.0094 175 HIS 40 CE1 -0.0076 0.0066 0.0078 176 HIS 40 NE2 -0.0075 0.0068 0.0087 177 PHE 41 N -0.0117 0.0084 0.0078 178 PHE 41 CA -0.0121 0.0087 0.0080 179 PHE 41 C -0.0113 0.0080 0.0074 180 PHE 41 O -0.0114 0.0082 0.0078 181 PHE 41 CB -0.0137 0.0090 0.0075 182 PHE 41 CG -0.0141 0.0082 0.0061 183 PHE 41 CD1 -0.0145 0.0079 0.0056 184 PHE 41 CD2 -0.0142 0.0077 0.0055 185 PHE 41 CE1 -0.0149 0.0072 0.0043 186 PHE 41 CE2 -0.0146 0.0070 0.0042 187 PHE 41 CZ -0.0149 0.0067 0.0036 188 CYS 42 N -0.0106 0.0071 0.0067 189 CYS 42 CA -0.0098 0.0064 0.0061 190 CYS 42 C -0.0087 0.0056 0.0056 191 CYS 42 O -0.0088 0.0056 0.0054 192 CYS 42 CB -0.0107 0.0061 0.0050 193 CYS 42 SG -0.0116 0.0067 0.0054 194 GLY 43 N -0.0078 0.0046 0.0048 195 GLY 43 CA -0.0064 0.0037 0.0040 196 GLY 43 C -0.0067 0.0027 0.0024 197 GLY 43 O -0.0080 0.0028 0.0019 198 GLY 44 N -0.0055 0.0018 0.0015 199 GLY 44 CA -0.0057 0.0008 -0.0001 200 GLY 44 C -0.0040 -0.0000 -0.0007 201 GLY 44 O -0.0029 0.0002 0.0001 202 SER 45 N -0.0039 -0.0010 -0.0022 203 SER 45 CA -0.0024 -0.0019 -0.0030 204 SER 45 C -0.0029 -0.0029 -0.0046 205 SER 45 O -0.0041 -0.0031 -0.0054 206 SER 45 CB -0.0013 -0.0023 -0.0030 207 SER 45 OG -0.0007 -0.0014 -0.0015 208 LEU 46 N -0.0021 -0.0034 -0.0050 209 LEU 46 CA -0.0025 -0.0043 -0.0065 210 LEU 46 C -0.0015 -0.0053 -0.0075 211 LEU 46 O 0.0002 -0.0055 -0.0072 212 LEU 46 CB -0.0019 -0.0045 -0.0065 213 LEU 46 CG -0.0025 -0.0053 -0.0080 214 LEU 46 CD1 -0.0044 -0.0049 -0.0082 215 LEU 46 CD2 -0.0014 -0.0056 -0.0080 216 ILE 47 N -0.0022 -0.0058 -0.0087 217 ILE 47 CA -0.0013 -0.0068 -0.0098 218 ILE 47 C -0.0013 -0.0078 -0.0113 219 ILE 47 O -0.0002 -0.0086 -0.0121 220 ILE 47 CB -0.0021 -0.0067 -0.0100 221 ILE 47 CG1 -0.0041 -0.0066 -0.0105 222 ILE 47 CG2 -0.0017 -0.0058 -0.0085 223 ILE 47 CD1 -0.0050 -0.0066 -0.0110 224 ASN 48 N -0.0024 -0.0077 -0.0116 225 ASN 48 CA -0.0024 -0.0086 -0.0130 226 ASN 48 C -0.0034 -0.0082 -0.0128 227 ASN 48 O -0.0043 -0.0073 -0.0117 228 ASN 48 CB -0.0032 -0.0094 -0.0145 229 ASN 48 CG -0.0051 -0.0090 -0.0146 230 ASN 48 OD1 -0.0062 -0.0086 -0.0145 231 ASN 48 ND2 -0.0057 -0.0089 -0.0148 232 ASP 49 N -0.0033 -0.0089 -0.0138 233 ASP 49 CA -0.0041 -0.0085 -0.0136 234 ASP 49 C -0.0061 -0.0079 -0.0135 235 ASP 49 O -0.0068 -0.0075 -0.0131 236 ASP 49 CB -0.0038 -0.0095 -0.0148 237 ASP 49 CG -0.0048 -0.0102 -0.0163 238 ASP 49 OD1 -0.0051 -0.0103 -0.0166 239 ASP 49 OD2 -0.0052 -0.0107 -0.0173 240 GLN 50 N -0.0070 -0.0079 -0.0138 241 GLN 50 CA -0.0089 -0.0073 -0.0137 242 GLN 50 C -0.0095 -0.0066 -0.0129 243 GLN 50 O -0.0111 -0.0061 -0.0128 244 GLN 50 CB -0.0099 -0.0081 -0.0153 245 GLN 50 CG -0.0096 -0.0088 -0.0163 246 GLN 50 CD -0.0109 -0.0095 -0.0178 247 GLN 50 OE1 -0.0125 -0.0090 -0.0178 248 GLN 50 NE2 -0.0102 -0.0105 -0.0190 249 TRP 51 N -0.0082 -0.0065 -0.0122 250 TRP 51 CA -0.0087 -0.0059 -0.0114 251 TRP 51 C -0.0076 -0.0051 -0.0099 252 TRP 51 O -0.0060 -0.0054 -0.0096 253 TRP 51 CB -0.0086 -0.0066 -0.0124 254 TRP 51 CG -0.0099 -0.0071 -0.0139 255 TRP 51 CD1 -0.0098 -0.0081 -0.0152 256 TRP 51 CD2 -0.0116 -0.0068 -0.0141 257 TRP 51 NE1 -0.0113 -0.0084 -0.0163 258 TRP 51 CE2 -0.0124 -0.0076 -0.0156 259 TRP 51 CE3 -0.0125 -0.0060 -0.0131 260 TRP 51 CZ2 -0.0140 -0.0076 -0.0162 261 TRP 51 CZ3 -0.0141 -0.0059 -0.0137 262 TRP 51 CH2 -0.0149 -0.0067 -0.0152 263 VAL 52 N -0.0086 -0.0042 -0.0088 264 VAL 52 CA -0.0078 -0.0033 -0.0072 265 VAL 52 C -0.0083 -0.0030 -0.0069 266 VAL 52 O -0.0097 -0.0030 -0.0075 267 VAL 52 CB -0.0086 -0.0024 -0.0061 268 VAL 52 CG1 -0.0083 -0.0014 -0.0045 269 VAL 52 CG2 -0.0077 -0.0026 -0.0061 270 VAL 53 N -0.0070 -0.0027 -0.0059 271 VAL 53 CA -0.0073 -0.0023 -0.0054 272 VAL 53 C -0.0073 -0.0012 -0.0037 273 VAL 53 O -0.0063 -0.0009 -0.0029 274 VAL 53 CB -0.0059 -0.0030 -0.0059 275 VAL 53 CG1 -0.0041 -0.0029 -0.0051 276 VAL 53 CG2 -0.0063 -0.0026 -0.0054 277 SER 54 N -0.0086 -0.0005 -0.0032 278 SER 54 CA -0.0087 0.0006 -0.0016 279 SER 54 C -0.0095 0.0010 -0.0013 280 SER 54 O -0.0095 0.0004 -0.0022 281 SER 54 CB -0.0100 0.0012 -0.0012 282 SER 54 OG -0.0101 0.0022 0.0004 283 ALA 55 N -0.0098 0.0019 0.0002 284 ALA 55 CA -0.0105 0.0023 0.0006 285 ALA 55 C -0.0123 0.0025 0.0002 286 ALA 55 O -0.0131 0.0027 0.0003 287 ALA 55 CB -0.0101 0.0033 0.0021 288 ALA 56 N -0.0131 0.0024 -0.0002 289 ALA 56 CA -0.0148 0.0026 -0.0005 290 ALA 56 C -0.0157 0.0036 0.0007 291 ALA 56 O -0.0171 0.0038 0.0005 292 ALA 56 CB -0.0154 0.0023 -0.0011 293 HIS 57 N -0.0140 0.0050 0.0026 294 HIS 57 CA -0.0149 0.0058 0.0037 295 HIS 57 C -0.0150 0.0060 0.0040 296 HIS 57 O -0.0158 0.0066 0.0049 297 HIS 57 CB -0.0142 0.0064 0.0050 298 HIS 57 CG -0.0128 0.0065 0.0057 299 HIS 57 ND1 -0.0114 0.0062 0.0055 300 HIS 57 CD2 -0.0127 0.0071 0.0067 301 HIS 57 CE1 -0.0104 0.0065 0.0063 302 HIS 57 NE2 -0.0111 0.0070 0.0070 303 CYS 58 N -0.0143 0.0054 0.0032 304 CYS 58 CA -0.0144 0.0055 0.0033 305 CYS 58 C -0.0158 0.0052 0.0024 306 CYS 58 O -0.0160 0.0051 0.0022 307 CYS 58 CB -0.0130 0.0050 0.0029 308 CYS 58 SG -0.0114 0.0054 0.0041 309 TYR 59 N -0.0168 0.0051 0.0011 310 TYR 59 CA -0.0184 0.0044 0.0000 311 TYR 59 C -0.0194 0.0056 0.0007 312 TYR 59 O -0.0199 0.0071 0.0018 313 TYR 59 CB -0.0202 0.0042 -0.0008 314 TYR 59 CG -0.0220 0.0038 -0.0017 315 TYR 59 CD1 -0.0219 0.0022 -0.0031 316 TYR 59 CD2 -0.0237 0.0050 -0.0012 317 TYR 59 CE1 -0.0235 0.0019 -0.0039 318 TYR 59 CE2 -0.0253 0.0047 -0.0020 319 TYR 59 CZ -0.0252 0.0031 -0.0033 320 TYR 59 OH -0.0267 0.0028 -0.0041 321 LYS 60 N -0.0196 0.0048 -0.0000 322 LYS 60 CA -0.0205 0.0057 0.0004 323 LYS 60 C -0.0215 0.0044 -0.0010 324 LYS 60 O -0.0206 0.0029 -0.0020 325 LYS 60 CB -0.0188 0.0061 0.0013 326 LYS 60 CG -0.0192 0.0078 0.0027 327 LYS 60 CD -0.0184 0.0089 0.0040 328 LYS 60 CE -0.0182 0.0105 0.0055 329 LYS 60 NZ -0.0172 0.0116 0.0068 330 SER 61 N -0.0243 0.0053 -0.0013 331 SER 61 CA -0.0255 0.0046 -0.0030 332 SER 61 C -0.0248 0.0040 -0.0036 333 SER 61 O -0.0247 0.0031 -0.0052 334 SER 61 CB -0.0278 0.0052 -0.0028 335 SER 61 OG -0.0282 0.0061 -0.0014 336 ARG 62 N -0.0242 0.0047 -0.0024 337 ARG 62 CA -0.0235 0.0043 -0.0028 338 ARG 62 C -0.0214 0.0044 -0.0018 339 ARG 62 O -0.0211 0.0053 -0.0002 340 ARG 62 CB -0.0249 0.0049 -0.0023 341 ARG 62 CG -0.0268 0.0046 -0.0035 342 ARG 62 CD -0.0280 0.0051 -0.0030 343 ARG 62 NE -0.0290 0.0063 -0.0014 344 ARG 62 CZ -0.0307 0.0067 -0.0013 345 ARG 62 NH1 -0.0316 0.0060 -0.0027 346 ARG 62 NH2 -0.0314 0.0078 0.0003 347 ILE 63 N -0.0204 0.0039 -0.0025 348 ILE 63 CA -0.0186 0.0039 -0.0018 349 ILE 63 C -0.0177 0.0033 -0.0023 350 ILE 63 O -0.0179 0.0025 -0.0037 351 ILE 63 CB -0.0175 0.0034 -0.0020 352 ILE 63 CG1 -0.0183 0.0040 -0.0014 353 ILE 63 CG2 -0.0157 0.0034 -0.0012 354 ILE 63 CD1 -0.0173 0.0036 -0.0017 355 GLN 64 N -0.0168 0.0037 -0.0013 356 GLN 64 CA -0.0158 0.0032 -0.0017 357 GLN 64 C -0.0139 0.0029 -0.0013 358 GLN 64 O -0.0134 0.0035 -0.0000 359 GLN 64 CB -0.0161 0.0038 -0.0008 360 GLN 64 CG -0.0150 0.0033 -0.0012 361 GLN 64 CD -0.0153 0.0039 -0.0003 362 GLN 64 OE1 -0.0148 0.0047 0.0011 363 GLN 64 NE2 -0.0161 0.0037 -0.0010 364 VAL 66 N -0.0131 0.0020 -0.0024 365 VAL 66 CA -0.0114 0.0016 -0.0021 366 VAL 66 C -0.0103 0.0015 -0.0016 367 VAL 66 O -0.0105 0.0011 -0.0023 368 VAL 66 CB -0.0109 0.0004 -0.0035 369 VAL 66 CG1 -0.0091 0.0000 -0.0032 370 VAL 66 CG2 -0.0121 0.0004 -0.0041 371 ARG 67 N -0.0092 0.0020 -0.0004 372 ARG 67 CA -0.0080 0.0020 0.0001 373 ARG 67 C -0.0063 0.0013 0.0000 374 ARG 67 O -0.0056 0.0015 0.0007 375 ARG 67 CB -0.0082 0.0031 0.0017 376 ARG 67 CG -0.0099 0.0038 0.0018 377 ARG 67 CD -0.0101 0.0049 0.0033 378 ARG 67 NE -0.0117 0.0055 0.0032 379 ARG 67 CZ -0.0122 0.0064 0.0044 380 ARG 67 NH1 -0.0111 0.0069 0.0056 381 ARG 67 NH2 -0.0137 0.0069 0.0042 382 LEU 68 N -0.0057 0.0004 -0.0011 383 LEU 68 CA -0.0040 -0.0003 -0.0013 384 LEU 68 C -0.0028 -0.0002 -0.0007 385 LEU 68 O -0.0033 0.0001 -0.0004 386 LEU 68 CB -0.0039 -0.0014 -0.0030 387 LEU 68 CG -0.0053 -0.0015 -0.0038 388 LEU 68 CD1 -0.0067 -0.0015 -0.0045 389 LEU 68 CD2 -0.0045 -0.0026 -0.0050 390 GLY 69 N -0.0011 -0.0006 -0.0004 391 GLY 69 CA 0.0001 -0.0006 0.0002 392 GLY 69 C 0.0001 0.0005 0.0018 393 GLY 69 O 0.0007 0.0007 0.0024 394 GLU 70 N -0.0007 0.0012 0.0026 395 GLU 70 CA -0.0009 0.0023 0.0041 396 GLU 70 C 0.0007 0.0025 0.0051 397 GLU 70 O 0.0015 0.0020 0.0048 398 GLU 70 CB -0.0023 0.0030 0.0044 399 GLU 70 CG -0.0040 0.0031 0.0037 400 GLU 70 CD -0.0046 0.0040 0.0047 401 GLU 70 OE1 -0.0036 0.0043 0.0056 402 GLU 70 OE2 -0.0061 0.0043 0.0045 403 HIS 71 N 0.0010 0.0032 0.0063 404 HIS 71 CA 0.0023 0.0036 0.0075 405 HIS 71 C 0.0016 0.0047 0.0088 406 HIS 71 O 0.0015 0.0052 0.0095 407 HIS 71 CB 0.0038 0.0032 0.0076 408 HIS 71 CG 0.0052 0.0035 0.0088 409 HIS 71 ND1 0.0059 0.0033 0.0088 410 HIS 71 CD2 0.0059 0.0041 0.0100 411 HIS 71 CE1 0.0070 0.0037 0.0100 412 HIS 71 NE2 0.0071 0.0042 0.0107 413 ASN 72 N 0.0009 0.0052 0.0093 414 ASN 72 CA 0.0001 0.0063 0.0105 415 ASN 72 C -0.0017 0.0065 0.0099 416 ASN 72 O -0.0024 0.0064 0.0093 417 ASN 72 CB 0.0005 0.0067 0.0113 418 ASN 72 CG -0.0003 0.0078 0.0126 419 ASN 72 OD1 -0.0017 0.0083 0.0126 420 ASN 72 ND2 0.0006 0.0083 0.0138 421 ILE 73 N -0.0025 0.0069 0.0100 422 ILE 73 CA -0.0042 0.0071 0.0094 423 ILE 73 C -0.0053 0.0079 0.0100 424 ILE 73 O -0.0067 0.0079 0.0093 425 ILE 73 CB -0.0047 0.0074 0.0096 426 ILE 73 CG1 -0.0060 0.0071 0.0084 427 ILE 73 CG2 -0.0051 0.0085 0.0111 428 ILE 73 CD1 -0.0055 0.0059 0.0070 429 ASN 74 N -0.0048 0.0085 0.0111 430 ASN 74 CA -0.0058 0.0093 0.0118 431 ASN 74 C -0.0055 0.0092 0.0118 432 ASN 74 O -0.0062 0.0100 0.0125 433 ASN 74 CB -0.0058 0.0104 0.0133 434 ASN 74 CG -0.0065 0.0107 0.0133 435 ASN 74 OD1 -0.0078 0.0108 0.0126 436 ASN 74 ND2 -0.0056 0.0108 0.0142 437 VAL 75 N -0.0044 0.0083 0.0111 438 VAL 75 CA -0.0040 0.0081 0.0111 439 VAL 75 C -0.0039 0.0071 0.0096 440 VAL 75 O -0.0031 0.0063 0.0089 441 VAL 75 CB -0.0024 0.0081 0.0121 442 VAL 75 CG1 -0.0019 0.0079 0.0120 443 VAL 75 CG2 -0.0025 0.0092 0.0136 444 LEU 76 N -0.0047 0.0069 0.0089 445 LEU 76 CA -0.0047 0.0058 0.0074 446 LEU 76 C -0.0029 0.0052 0.0074 447 LEU 76 O -0.0024 0.0055 0.0081 448 LEU 76 CB -0.0060 0.0060 0.0069 449 LEU 76 CG -0.0061 0.0050 0.0054 450 LEU 76 CD1 -0.0067 0.0044 0.0042 451 LEU 76 CD2 -0.0073 0.0053 0.0052 452 GLU 77 N -0.0020 0.0044 0.0067 453 GLU 77 CA -0.0002 0.0037 0.0066 454 GLU 77 C 0.0000 0.0028 0.0053 455 GLU 77 O 0.0012 0.0024 0.0054 456 GLU 77 CB 0.0008 0.0034 0.0067 457 GLU 77 CG 0.0009 0.0043 0.0080 458 GLU 77 CD 0.0014 0.0040 0.0079 459 GLU 77 OE1 0.0005 0.0037 0.0069 460 GLU 77 OE2 0.0027 0.0041 0.0087 461 GLY 78 N -0.0011 0.0023 0.0040 462 GLY 78 CA -0.0010 0.0014 0.0026 463 GLY 78 C -0.0004 0.0004 0.0013 464 GLY 78 O -0.0005 -0.0005 0.0001 465 ASN 79 N 0.0001 0.0004 0.0017 466 ASN 79 CA 0.0007 -0.0006 0.0005 467 ASN 79 C -0.0007 -0.0005 -0.0001 468 ASN 79 O -0.0005 -0.0013 -0.0012 469 ASN 79 CB 0.0023 -0.0007 0.0011 470 ASN 79 CG 0.0038 -0.0007 0.0018 471 ASN 79 OD1 0.0043 -0.0014 0.0011 472 ASN 79 ND2 0.0045 -0.0000 0.0032 473 GLU 80 N -0.0020 0.0003 0.0006 474 GLU 80 CA -0.0033 0.0005 0.0001 475 GLU 80 C -0.0046 -0.0001 -0.0014 476 GLU 80 O -0.0049 -0.0003 -0.0019 477 GLU 80 CB -0.0044 0.0017 0.0014 478 GLU 80 CG -0.0033 0.0024 0.0030 479 GLU 80 CD -0.0031 0.0028 0.0037 480 GLU 80 OE1 -0.0031 0.0023 0.0029 481 GLU 80 OE2 -0.0028 0.0036 0.0051 482 GLN 81 N -0.0053 -0.0003 -0.0021 483 GLN 81 CA -0.0066 -0.0008 -0.0034 484 GLN 81 C -0.0080 -0.0001 -0.0030 485 GLN 81 O -0.0077 0.0002 -0.0025 486 GLN 81 CB -0.0058 -0.0019 -0.0048 487 GLN 81 CG -0.0044 -0.0027 -0.0053 488 GLN 81 CD -0.0038 -0.0039 -0.0067 489 GLN 81 OE1 -0.0049 -0.0043 -0.0079 490 GLN 81 NE2 -0.0021 -0.0043 -0.0066 491 PHE 82 N -0.0093 0.0002 -0.0033 492 PHE 82 CA -0.0109 0.0009 -0.0030 493 PHE 82 C -0.0120 0.0002 -0.0045 494 PHE 82 O -0.0125 -0.0003 -0.0054 495 PHE 82 CB -0.0119 0.0018 -0.0021 496 PHE 82 CG -0.0110 0.0026 -0.0005 497 PHE 82 CD1 -0.0094 0.0022 -0.0002 498 PHE 82 CD2 -0.0118 0.0037 0.0008 499 PHE 82 CE1 -0.0086 0.0030 0.0012 500 PHE 82 CE2 -0.0110 0.0044 0.0022 501 PHE 82 CZ -0.0094 0.0041 0.0024 502 VAL 83 N -0.0123 0.0000 -0.0048 503 VAL 83 CA -0.0133 -0.0006 -0.0062 504 VAL 83 C -0.0146 -0.0000 -0.0060 505 VAL 83 O -0.0142 0.0004 -0.0052 506 VAL 83 CB -0.0121 -0.0017 -0.0073 507 VAL 83 CG1 -0.0132 -0.0024 -0.0089 508 VAL 83 CG2 -0.0106 -0.0022 -0.0074 509 ASN 84 N -0.0161 -0.0002 -0.0067 510 ASN 84 CA -0.0175 0.0003 -0.0065 511 ASN 84 C -0.0174 -0.0004 -0.0075 512 ASN 84 O -0.0167 -0.0014 -0.0087 513 ASN 84 CB -0.0193 0.0005 -0.0069 514 ASN 84 CG -0.0199 0.0016 -0.0056 515 ASN 84 OD1 -0.0188 0.0019 -0.0046 516 ASN 84 ND2 -0.0216 0.0021 -0.0056 517 ALA 85 N -0.0180 0.0001 -0.0070 518 ALA 85 CA -0.0180 -0.0005 -0.0079 519 ALA 85 C -0.0196 -0.0009 -0.0091 520 ALA 85 O -0.0210 -0.0002 -0.0088 521 ALA 85 CB -0.0181 0.0002 -0.0068 522 ALA 86 N -0.0196 -0.0021 -0.0104 523 ALA 86 CA -0.0211 -0.0026 -0.0117 524 ALA 86 C -0.0219 -0.0026 -0.0120 525 ALA 86 O -0.0236 -0.0024 -0.0124 526 ALA 86 CB -0.0204 -0.0038 -0.0132 527 LYS 87 N -0.0207 -0.0027 -0.0117 528 LYS 87 CA -0.0212 -0.0027 -0.0119 529 LYS 87 C -0.0201 -0.0021 -0.0106 530 LYS 87 O -0.0185 -0.0023 -0.0101 531 LYS 87 CB -0.0208 -0.0039 -0.0135 532 LYS 87 CG -0.0220 -0.0046 -0.0150 533 LYS 87 CD -0.0215 -0.0058 -0.0165 534 LYS 87 CE -0.0227 -0.0065 -0.0179 535 LYS 87 NZ -0.0223 -0.0076 -0.0194 536 ILE 88 N -0.0206 -0.0017 -0.0096 537 ILE 88 CA -0.0198 -0.0010 -0.0084 538 ILE 88 C -0.0202 -0.0013 -0.0090 539 ILE 88 O -0.0218 -0.0011 -0.0093 540 ILE 88 CB -0.0205 0.0002 -0.0070 541 ILE 88 CG1 -0.0205 0.0005 -0.0066 542 ILE 88 CG2 -0.0195 0.0009 -0.0057 543 ILE 88 CD1 -0.0187 0.0002 -0.0063 544 ILE 89 N -0.0188 -0.0018 -0.0091 545 ILE 89 CA -0.0191 -0.0021 -0.0097 546 ILE 89 C -0.0181 -0.0016 -0.0086 547 ILE 89 O -0.0164 -0.0019 -0.0084 548 ILE 89 CB -0.0184 -0.0034 -0.0112 549 ILE 89 CG1 -0.0194 -0.0040 -0.0124 550 ILE 89 CG2 -0.0188 -0.0038 -0.0119 551 ILE 89 CD1 -0.0187 -0.0053 -0.0139 552 LYS 90 N -0.0188 -0.0011 -0.0076 553 LYS 90 CA -0.0180 -0.0007 -0.0066 554 LYS 90 C -0.0177 -0.0013 -0.0075 555 LYS 90 O -0.0186 -0.0019 -0.0087 556 LYS 90 CB -0.0191 0.0004 -0.0054 557 LYS 90 CG -0.0194 0.0011 -0.0044 558 LYS 90 CD -0.0202 0.0022 -0.0030 559 LYS 90 CE -0.0221 0.0024 -0.0034 560 LYS 90 NZ -0.0229 0.0034 -0.0021 561 HIS 91 N -0.0164 -0.0012 -0.0069 562 HIS 91 CA -0.0161 -0.0018 -0.0076 563 HIS 91 C -0.0177 -0.0014 -0.0076 564 HIS 91 O -0.0184 -0.0005 -0.0065 565 HIS 91 CB -0.0145 -0.0015 -0.0068 566 HIS 91 CG -0.0139 -0.0022 -0.0076 567 HIS 91 ND1 -0.0148 -0.0021 -0.0077 568 HIS 91 CD2 -0.0125 -0.0030 -0.0084 569 HIS 91 CE1 -0.0140 -0.0028 -0.0085 570 HIS 91 NE2 -0.0126 -0.0034 -0.0089 571 PRO 92 N -0.0183 -0.0022 -0.0091 572 PRO 92 CA -0.0199 -0.0020 -0.0091 573 PRO 92 C -0.0198 -0.0013 -0.0078 574 PRO 92 O -0.0212 -0.0009 -0.0075 575 PRO 92 CB -0.0202 -0.0029 -0.0109 576 PRO 92 CG -0.0182 -0.0035 -0.0114 577 PRO 92 CD -0.0175 -0.0032 -0.0106 578 ASN 93 N -0.0181 -0.0012 -0.0072 579 ASN 93 CA -0.0179 -0.0006 -0.0060 580 ASN 93 C -0.0174 0.0003 -0.0042 581 ASN 93 O -0.0168 0.0008 -0.0032 582 ASN 93 CB -0.0164 -0.0012 -0.0066 583 ASN 93 CG -0.0170 -0.0020 -0.0082 584 ASN 93 OD1 -0.0158 -0.0026 -0.0090 585 ASN 93 ND2 -0.0188 -0.0020 -0.0087 586 PHE 94 N -0.0171 0.0009 -0.0039 587 PHE 94 CA -0.0167 0.0017 -0.0023 588 PHE 94 C -0.0178 0.0024 -0.0012 589 PHE 94 O -0.0194 0.0025 -0.0016 590 PHE 94 CB -0.0171 0.0018 -0.0023 591 PHE 94 CG -0.0171 0.0026 -0.0006 592 PHE 94 CD1 -0.0156 0.0029 0.0003 593 PHE 94 CD2 -0.0185 0.0031 -0.0001 594 PHE 94 CE1 -0.0155 0.0037 0.0018 595 PHE 94 CE2 -0.0185 0.0039 0.0014 596 PHE 94 CZ -0.0169 0.0042 0.0023 597 ASP 95 N -0.0170 0.0030 0.0001 598 ASP 95 CA -0.0180 0.0038 0.0013 599 ASP 95 C -0.0179 0.0046 0.0027 600 ASP 95 O -0.0165 0.0048 0.0035 601 ASP 95 CB -0.0171 0.0038 0.0016 602 ASP 95 CG -0.0181 0.0046 0.0026 603 ASP 95 OD1 -0.0185 0.0053 0.0039 604 ASP 95 OD2 -0.0185 0.0044 0.0022 605 ARG 96 N -0.0183 0.0039 0.0031 606 ARG 96 CA -0.0184 0.0049 0.0046 607 ARG 96 C -0.0179 0.0057 0.0062 608 ARG 96 O -0.0175 0.0064 0.0075 609 ARG 96 CB -0.0204 0.0055 0.0046 610 ARG 96 CG -0.0211 0.0048 0.0033 611 ARG 96 CD -0.0231 0.0053 0.0031 612 ARG 96 NE -0.0238 0.0047 0.0017 613 ARG 96 CZ -0.0239 0.0048 0.0018 614 ARG 96 NH1 -0.0233 0.0055 0.0032 615 ARG 96 NH2 -0.0245 0.0042 0.0005 616 LYS 97 N -0.0179 0.0056 0.0061 617 LYS 97 CA -0.0174 0.0064 0.0075 618 LYS 97 C -0.0154 0.0060 0.0078 619 LYS 97 O -0.0145 0.0065 0.0092 620 LYS 97 CB -0.0187 0.0067 0.0074 621 LYS 97 CG -0.0183 0.0075 0.0089 622 LYS 97 CD -0.0196 0.0078 0.0087 623 LYS 97 CE -0.0192 0.0086 0.0102 624 LYS 97 NZ -0.0204 0.0089 0.0101 625 THR 98 N -0.0161 0.0065 0.0063 626 THR 98 CA -0.0144 0.0063 0.0063 627 THR 98 C -0.0132 0.0058 0.0059 628 THR 98 O -0.0117 0.0057 0.0062 629 THR 98 CB -0.0142 0.0057 0.0054 630 THR 98 OG1 -0.0144 0.0048 0.0039 631 THR 98 CG2 -0.0154 0.0061 0.0057 632 LEU 99 N -0.0139 0.0055 0.0052 633 LEU 99 CA -0.0129 0.0050 0.0047 634 LEU 99 C -0.0119 0.0041 0.0035 635 LEU 99 O -0.0107 0.0037 0.0032 636 LEU 99 CB -0.0118 0.0056 0.0059 637 LEU 99 CG -0.0129 0.0064 0.0071 638 LEU 99 CD1 -0.0118 0.0071 0.0084 639 LEU 99 CD2 -0.0138 0.0062 0.0065 640 ASN 100 N -0.0126 0.0037 0.0025 641 ASN 100 CA -0.0117 0.0027 0.0013 642 ASN 100 C -0.0122 0.0020 -0.0001 643 ASN 100 O -0.0137 0.0021 -0.0003 644 ASN 100 CB -0.0122 0.0026 0.0009 645 ASN 100 CG -0.0111 0.0016 -0.0002 646 ASN 100 OD1 -0.0095 0.0014 -0.0002 647 ASN 100 ND2 -0.0119 0.0012 -0.0012 648 ASN 101 N -0.0109 0.0012 -0.0009 649 ASN 101 CA -0.0112 0.0005 -0.0021 650 ASN 101 C -0.0117 0.0009 -0.0017 651 ASN 101 O -0.0129 0.0006 -0.0024 652 ASN 101 CB -0.0126 0.0000 -0.0033 653 ASN 101 CG -0.0122 -0.0004 -0.0038 654 ASN 101 OD1 -0.0132 -0.0001 -0.0036 655 ASN 101 ND2 -0.0108 -0.0011 -0.0045 656 ASP 102 N -0.0110 0.0016 -0.0006 657 ASP 102 CA -0.0113 0.0020 -0.0000 658 ASP 102 C -0.0105 0.0013 -0.0009 659 ASP 102 O -0.0092 0.0013 -0.0004 660 ASP 102 CB -0.0107 0.0029 0.0016 661 ASP 102 CG -0.0114 0.0035 0.0024 662 ASP 102 OD1 -0.0126 0.0034 0.0017 663 ASP 102 OD2 -0.0108 0.0042 0.0037 664 ILE 103 N -0.0113 0.0006 -0.0022 665 ILE 103 CA -0.0106 -0.0001 -0.0031 666 ILE 103 C -0.0121 -0.0004 -0.0041 667 ILE 103 O -0.0134 -0.0004 -0.0045 668 ILE 103 CB -0.0093 -0.0010 -0.0041 669 ILE 103 CG1 -0.0085 -0.0017 -0.0050 670 ILE 103 CG2 -0.0102 -0.0015 -0.0052 671 ILE 103 CD1 -0.0070 -0.0025 -0.0058 672 MET 104 N -0.0118 -0.0005 -0.0045 673 MET 104 CA -0.0132 -0.0007 -0.0053 674 MET 104 C -0.0123 -0.0015 -0.0061 675 MET 104 O -0.0110 -0.0015 -0.0056 676 MET 104 CB -0.0143 0.0003 -0.0041 677 MET 104 CG -0.0155 0.0003 -0.0046 678 MET 104 SD -0.0167 0.0016 -0.0031 679 MET 104 CE -0.0152 0.0019 -0.0021 680 LEU 105 N -0.0132 -0.0022 -0.0075 681 LEU 105 CA -0.0126 -0.0029 -0.0084 682 LEU 105 C -0.0138 -0.0026 -0.0084 683 LEU 105 O -0.0154 -0.0023 -0.0085 684 LEU 105 CB -0.0125 -0.0040 -0.0100 685 LEU 105 CG -0.0111 -0.0045 -0.0102 686 LEU 105 CD1 -0.0113 -0.0055 -0.0118 687 LEU 105 CD2 -0.0093 -0.0046 -0.0098 688 ILE 106 N -0.0132 -0.0027 -0.0084 689 ILE 106 CA -0.0142 -0.0024 -0.0084 690 ILE 106 C -0.0137 -0.0034 -0.0097 691 ILE 106 O -0.0121 -0.0038 -0.0097 692 ILE 106 CB -0.0138 -0.0014 -0.0068 693 ILE 106 CG1 -0.0144 -0.0004 -0.0055 694 ILE 106 CG2 -0.0148 -0.0012 -0.0069 695 ILE 106 CD1 -0.0138 0.0005 -0.0039 696 LYS 107 N -0.0150 -0.0037 -0.0108 697 LYS 107 CA -0.0147 -0.0046 -0.0121 698 LYS 107 C -0.0151 -0.0042 -0.0115 699 LYS 107 O -0.0166 -0.0035 -0.0111 700 LYS 107 CB -0.0158 -0.0054 -0.0136 701 LYS 107 CG -0.0154 -0.0064 -0.0150 702 LYS 107 CD -0.0166 -0.0070 -0.0165 703 LYS 107 CE -0.0161 -0.0081 -0.0178 704 LYS 107 NZ -0.0172 -0.0088 -0.0194 705 LEU 108 N -0.0139 -0.0045 -0.0116 706 LEU 108 CA -0.0142 -0.0041 -0.0111 707 LEU 108 C -0.0154 -0.0046 -0.0123 708 LEU 108 O -0.0154 -0.0055 -0.0137 709 LEU 108 CB -0.0124 -0.0043 -0.0107 710 LEU 108 CG -0.0111 -0.0039 -0.0096 711 LEU 108 CD1 -0.0093 -0.0042 -0.0093 712 LEU 108 CD2 -0.0118 -0.0027 -0.0081 713 SER 109 N -0.0163 -0.0039 -0.0119 714 SER 109 CA -0.0175 -0.0043 -0.0129 715 SER 109 C -0.0165 -0.0054 -0.0140 716 SER 109 O -0.0172 -0.0060 -0.0153 717 SER 109 CB -0.0184 -0.0034 -0.0120 718 SER 109 OG -0.0196 -0.0026 -0.0112 719 SER 110 N -0.0149 -0.0054 -0.0135 720 SER 110 CA -0.0138 -0.0063 -0.0145 721 SER 110 C -0.0119 -0.0066 -0.0140 722 SER 110 O -0.0114 -0.0058 -0.0127 723 SER 110 CB -0.0140 -0.0062 -0.0143 724 SER 110 OG -0.0138 -0.0052 -0.0128 725 PRO 111 N -0.0109 -0.0076 -0.0150 726 PRO 111 CA -0.0090 -0.0079 -0.0147 727 PRO 111 C -0.0082 -0.0073 -0.0134 728 PRO 111 O -0.0086 -0.0071 -0.0134 729 PRO 111 CB -0.0084 -0.0090 -0.0161 730 PRO 111 CG -0.0099 -0.0094 -0.0173 731 PRO 111 CD -0.0114 -0.0085 -0.0166 732 VAL 112 N -0.0070 -0.0069 -0.0124 733 VAL 112 CA -0.0060 -0.0064 -0.0112 734 VAL 112 C -0.0044 -0.0072 -0.0117 735 VAL 112 O -0.0038 -0.0081 -0.0128 736 VAL 112 CB -0.0055 -0.0056 -0.0097 737 VAL 112 CG1 -0.0071 -0.0047 -0.0091 738 VAL 112 CG2 -0.0042 -0.0061 -0.0099 739 LYS 113 N -0.0037 -0.0069 -0.0109 740 LYS 113 CA -0.0021 -0.0077 -0.0113 741 LYS 113 C -0.0005 -0.0075 -0.0104 742 LYS 113 O -0.0003 -0.0066 -0.0090 743 LYS 113 CB -0.0020 -0.0074 -0.0109 744 LYS 113 CG -0.0034 -0.0076 -0.0118 745 LYS 113 CD -0.0032 -0.0074 -0.0115 746 LYS 113 CE -0.0046 -0.0076 -0.0124 747 LYS 113 NZ -0.0043 -0.0075 -0.0121 748 LEU 114 N 0.0005 -0.0083 -0.0112 749 LEU 114 CA 0.0020 -0.0083 -0.0105 750 LEU 114 C 0.0036 -0.0085 -0.0100 751 LEU 114 O 0.0040 -0.0092 -0.0108 752 LEU 114 CB 0.0025 -0.0092 -0.0115 753 LEU 114 CG 0.0011 -0.0091 -0.0120 754 LEU 114 CD1 0.0017 -0.0100 -0.0132 755 LEU 114 CD2 0.0008 -0.0080 -0.0106 756 ASN 115 N 0.0044 -0.0078 -0.0085 757 ASN 115 CA 0.0059 -0.0079 -0.0079 758 ASN 115 C 0.0071 -0.0074 -0.0067 759 ASN 115 O 0.0070 -0.0073 -0.0065 760 ASN 115 CB 0.0054 -0.0073 -0.0073 761 ASN 115 CG 0.0041 -0.0061 -0.0061 762 ASN 115 OD1 0.0045 -0.0055 -0.0050 763 ASN 115 ND2 0.0026 -0.0058 -0.0065 764 ALA 116 N 0.0082 -0.0070 -0.0057 765 ALA 116 CA 0.0094 -0.0066 -0.0044 766 ALA 116 C 0.0084 -0.0055 -0.0032 767 ALA 116 O 0.0091 -0.0053 -0.0025 768 ALA 116 CB 0.0108 -0.0066 -0.0037 769 ARG 117 N 0.0070 -0.0049 -0.0030 770 ARG 117 CA 0.0060 -0.0038 -0.0018 771 ARG 117 C 0.0046 -0.0038 -0.0025 772 ARG 117 O 0.0040 -0.0030 -0.0016 773 ARG 117 CB 0.0051 -0.0031 -0.0012 774 ARG 117 CG 0.0063 -0.0028 -0.0000 775 ARG 117 CD 0.0078 -0.0037 -0.0007 776 ARG 117 NE 0.0092 -0.0042 -0.0008 777 ARG 117 CZ 0.0103 -0.0037 0.0005 778 ARG 117 NH1 0.0116 -0.0042 0.0003 779 ARG 117 NH2 0.0102 -0.0028 0.0018 780 VAL 118 N 0.0041 -0.0046 -0.0040 781 VAL 118 CA 0.0028 -0.0046 -0.0047 782 VAL 118 C 0.0034 -0.0057 -0.0059 783 VAL 118 O 0.0035 -0.0066 -0.0071 784 VAL 118 CB 0.0011 -0.0045 -0.0053 785 VAL 118 CG1 -0.0003 -0.0046 -0.0061 786 VAL 118 CG2 0.0005 -0.0035 -0.0040 787 ALA 119 N 0.0038 -0.0056 -0.0057 788 ALA 119 CA 0.0044 -0.0066 -0.0068 789 ALA 119 C 0.0036 -0.0064 -0.0069 790 ALA 119 O 0.0028 -0.0055 -0.0059 791 ALA 119 CB 0.0064 -0.0069 -0.0064 792 THR 120 N 0.0039 -0.0072 -0.0082 793 THR 120 CA 0.0032 -0.0072 -0.0084 794 THR 120 C 0.0045 -0.0071 -0.0078 795 THR 120 O 0.0061 -0.0074 -0.0075 796 THR 120 CB 0.0026 -0.0082 -0.0100 797 THR 120 OG1 0.0041 -0.0091 -0.0108 798 THR 120 CG2 0.0013 -0.0083 -0.0107 799 VAL 121 N 0.0038 -0.0067 -0.0075 800 VAL 121 CA 0.0049 -0.0067 -0.0069 801 VAL 121 C 0.0046 -0.0074 -0.0081 802 VAL 121 O 0.0031 -0.0075 -0.0088 803 VAL 121 CB 0.0045 -0.0055 -0.0054 804 VAL 121 CG1 0.0026 -0.0051 -0.0056 805 VAL 121 CG2 0.0058 -0.0055 -0.0048 806 ALA 122 N 0.0058 -0.0079 -0.0085 807 ALA 122 CA 0.0057 -0.0086 -0.0096 808 ALA 122 C 0.0049 -0.0081 -0.0092 809 ALA 122 O 0.0052 -0.0073 -0.0079 810 ALA 122 CB 0.0074 -0.0094 -0.0101 811 LEU 123 N 0.0039 -0.0086 -0.0102 812 LEU 123 CA 0.0032 -0.0082 -0.0100 813 LEU 123 C 0.0046 -0.0085 -0.0099 814 LEU 123 O 0.0058 -0.0093 -0.0106 815 LEU 123 CB 0.0018 -0.0087 -0.0112 816 LEU 123 CG 0.0002 -0.0083 -0.0113 817 LEU 123 CD1 -0.0011 -0.0088 -0.0127 818 LEU 123 CD2 -0.0006 -0.0071 -0.0100 819 PRO 124 N 0.0045 -0.0078 -0.0091 820 PRO 124 CA 0.0059 -0.0081 -0.0090 821 PRO 124 C 0.0062 -0.0092 -0.0104 822 PRO 124 O 0.0049 -0.0095 -0.0114 823 PRO 124 CB 0.0053 -0.0072 -0.0078 824 PRO 124 CG 0.0033 -0.0068 -0.0081 825 PRO 124 CD 0.0030 -0.0069 -0.0083 826 SER 125 N 0.0079 -0.0097 -0.0106 827 SER 125 CA 0.0084 -0.0107 -0.0119 828 SER 125 C 0.0082 -0.0105 -0.0117 829 SER 125 O 0.0081 -0.0112 -0.0127 830 SER 125 CB 0.0103 -0.0113 -0.0120 831 SER 125 OG 0.0106 -0.0116 -0.0123 832 SER 127 N 0.0082 -0.0095 -0.0102 833 SER 127 CA 0.0081 -0.0091 -0.0097 834 SER 127 C 0.0078 -0.0079 -0.0081 835 SER 127 O 0.0080 -0.0075 -0.0074 836 SER 127 CB 0.0097 -0.0096 -0.0099 837 SER 127 OG 0.0112 -0.0094 -0.0090 838 CYS 128 N 0.0075 -0.0074 -0.0074 839 CYS 128 CA 0.0073 -0.0063 -0.0059 840 CYS 128 C 0.0091 -0.0061 -0.0049 841 CYS 128 O 0.0102 -0.0065 -0.0052 842 CYS 128 CB 0.0063 -0.0059 -0.0055 843 CYS 128 SG 0.0041 -0.0060 -0.0065 844 ALA 129 N 0.0091 -0.0055 -0.0039 845 ALA 129 CA 0.0107 -0.0053 -0.0030 846 ALA 129 C 0.0109 -0.0046 -0.0020 847 ALA 129 O 0.0097 -0.0039 -0.0015 848 ALA 129 CB 0.0108 -0.0047 -0.0021 849 PRO 130 N 0.0124 -0.0048 -0.0017 850 PRO 130 CA 0.0127 -0.0043 -0.0008 851 PRO 130 C 0.0129 -0.0032 0.0008 852 PRO 130 O 0.0132 -0.0030 0.0012 853 PRO 130 CB 0.0143 -0.0050 -0.0012 854 PRO 130 CG 0.0152 -0.0054 -0.0014 855 PRO 130 CD 0.0139 -0.0057 -0.0023 856 ALA 132 N 0.0125 -0.0025 0.0016 857 ALA 132 CA 0.0126 -0.0014 0.0032 858 ALA 132 C 0.0145 -0.0015 0.0038 859 ALA 132 O 0.0157 -0.0022 0.0033 860 ALA 132 CB 0.0123 -0.0008 0.0040 861 GLY 133 N 0.0146 -0.0008 0.0048 862 GLY 133 CA 0.0163 -0.0008 0.0055 863 GLY 133 C 0.0166 -0.0013 0.0048 864 GLY 133 O 0.0178 -0.0013 0.0054 865 THR 134 N 0.0154 -0.0019 0.0036 866 THR 134 CA 0.0156 -0.0024 0.0029 867 THR 134 C 0.0151 -0.0016 0.0039 868 THR 134 O 0.0138 -0.0009 0.0045 869 THR 134 CB 0.0144 -0.0031 0.0015 870 THR 134 OG1 0.0148 -0.0039 0.0006 871 THR 134 CG2 0.0146 -0.0037 0.0008 872 GLN 135 N 0.0162 -0.0017 0.0042 873 GLN 135 CA 0.0159 -0.0010 0.0051 874 GLN 135 C 0.0147 -0.0013 0.0043 875 GLN 135 O 0.0149 -0.0022 0.0030 876 GLN 135 CB 0.0176 -0.0011 0.0056 877 GLN 135 CG 0.0185 -0.0003 0.0071 878 GLN 135 CD 0.0174 0.0008 0.0083 879 GLN 135 OE1 0.0164 0.0012 0.0086 880 GLN 135 NE2 0.0177 0.0012 0.0090 881 CYS 136 N 0.0134 -0.0006 0.0050 882 CYS 136 CA 0.0121 -0.0008 0.0043 883 CYS 136 C 0.0117 -0.0001 0.0052 884 CYS 136 O 0.0123 0.0006 0.0065 885 CYS 136 CB 0.0104 -0.0006 0.0039 886 CYS 136 SG 0.0107 -0.0013 0.0029 887 LEU 137 N 0.0107 -0.0003 0.0045 888 LEU 137 CA 0.0102 0.0003 0.0053 889 LEU 137 C 0.0083 0.0008 0.0052 890 LEU 137 O 0.0074 0.0002 0.0041 891 LEU 137 CB 0.0108 -0.0003 0.0045 892 LEU 137 CG 0.0103 0.0002 0.0052 893 LEU 137 CD1 0.0112 0.0010 0.0067 894 LEU 137 CD2 0.0108 -0.0005 0.0042 895 ILE 138 N 0.0075 0.0017 0.0065 896 ILE 138 CA 0.0057 0.0022 0.0065 897 ILE 138 C 0.0055 0.0027 0.0071 898 ILE 138 O 0.0065 0.0031 0.0081 899 ILE 138 CB 0.0052 0.0031 0.0076 900 ILE 138 CG1 0.0058 0.0027 0.0072 901 ILE 138 CG2 0.0033 0.0036 0.0075 902 ILE 138 CD1 0.0056 0.0035 0.0083 903 SER 139 N 0.0041 0.0027 0.0066 904 SER 139 CA 0.0037 0.0032 0.0071 905 SER 139 C 0.0019 0.0037 0.0072 906 SER 139 O 0.0008 0.0035 0.0064 907 SER 139 CB 0.0044 0.0023 0.0061 908 SER 139 OG 0.0038 0.0014 0.0047 909 GLY 140 N 0.0012 0.0042 0.0082 910 GLY 140 CA -0.0003 0.0048 0.0083 911 GLY 140 C -0.0005 0.0057 0.0095 912 GLY 140 O 0.0006 0.0059 0.0104 913 TRP 141 N -0.0019 0.0062 0.0095 914 TRP 141 CA -0.0023 0.0071 0.0106 915 TRP 141 C -0.0032 0.0080 0.0115 916 TRP 141 O -0.0040 0.0087 0.0122 917 TRP 141 CB -0.0033 0.0070 0.0101 918 TRP 141 CG -0.0024 0.0064 0.0095 919 TRP 141 CD1 -0.0016 0.0066 0.0102 920 TRP 141 CD2 -0.0023 0.0054 0.0081 921 TRP 141 NE1 -0.0010 0.0058 0.0094 922 TRP 141 CE2 -0.0015 0.0051 0.0081 923 TRP 141 CE3 -0.0029 0.0048 0.0069 924 TRP 141 CZ2 -0.0011 0.0042 0.0069 925 TRP 141 CZ3 -0.0026 0.0039 0.0058 926 TRP 141 CH2 -0.0017 0.0036 0.0058 927 GLY 142 N -0.0032 0.0077 0.0113 928 GLY 142 CA -0.0039 0.0084 0.0121 929 GLY 142 C -0.0034 0.0091 0.0134 930 GLY 142 O -0.0023 0.0091 0.0138 931 ASN 143 N -0.0040 0.0098 0.0141 932 ASN 143 CA -0.0036 0.0105 0.0154 933 ASN 143 C -0.0021 0.0103 0.0158 934 ASN 143 O -0.0016 0.0097 0.0151 935 ASN 143 CB -0.0045 0.0111 0.0159 936 ASN 143 CG -0.0043 0.0120 0.0173 937 ASN 143 OD1 -0.0036 0.0121 0.0179 938 ASN 143 ND2 -0.0048 0.0124 0.0178 939 THR 144 N -0.0008 0.0110 0.0170 940 THR 144 CA 0.0006 0.0111 0.0173 941 THR 144 C 0.0009 0.0120 0.0184 942 THR 144 O 0.0021 0.0121 0.0187 943 THR 144 CB 0.0016 0.0110 0.0173 944 THR 144 OG1 0.0012 0.0117 0.0181 945 THR 144 CG2 0.0014 0.0101 0.0161 946 LEU 145 N -0.0002 0.0125 0.0190 947 LEU 145 CA -0.0001 0.0133 0.0201 948 LEU 145 C -0.0008 0.0134 0.0201 949 LEU 145 O -0.0020 0.0131 0.0196 950 LEU 145 CB -0.0006 0.0140 0.0209 951 LEU 145 CG 0.0002 0.0141 0.0211 952 LEU 145 CD1 -0.0006 0.0148 0.0219 953 LEU 145 CD2 0.0017 0.0143 0.0215 954 SER 146 N 0.0000 0.0141 0.0210 955 SER 146 CA -0.0008 0.0143 0.0213 956 SER 146 C -0.0022 0.0152 0.0223 957 SER 146 O -0.0035 0.0152 0.0223 958 SER 146 CB 0.0005 0.0147 0.0218 959 SER 146 OG -0.0003 0.0150 0.0222 960 SER 147 N -0.0019 0.0159 0.0232 961 SER 147 CA -0.0031 0.0168 0.0242 962 SER 147 C -0.0034 0.0167 0.0242 963 SER 147 O -0.0022 0.0169 0.0245 964 SER 147 CB -0.0024 0.0178 0.0256 965 SER 147 OG -0.0036 0.0187 0.0266 966 GLY 148 N -0.0043 0.0153 0.0233 967 GLY 148 CA -0.0046 0.0150 0.0230 968 GLY 148 C -0.0048 0.0138 0.0217 969 GLY 148 O -0.0049 0.0133 0.0211 970 VAL 149 N -0.0049 0.0134 0.0213 971 VAL 149 CA -0.0051 0.0123 0.0200 972 VAL 149 C -0.0041 0.0121 0.0194 973 VAL 149 O -0.0041 0.0124 0.0198 974 VAL 149 CB -0.0068 0.0119 0.0199 975 VAL 149 CG1 -0.0070 0.0107 0.0186 976 VAL 149 CG2 -0.0079 0.0120 0.0203 977 ASN 150 N -0.0042 0.0130 0.0190 978 ASN 150 CA -0.0033 0.0126 0.0188 979 ASN 150 C -0.0032 0.0115 0.0174 980 ASN 150 O -0.0023 0.0109 0.0168 981 ASN 150 CB -0.0016 0.0128 0.0195 982 ASN 150 CG -0.0006 0.0125 0.0194 983 ASN 150 OD1 0.0007 0.0127 0.0200 984 ASN 150 ND2 -0.0013 0.0121 0.0187 985 GLU 151 N -0.0041 0.0113 0.0167 986 GLU 151 CA -0.0042 0.0102 0.0154 987 GLU 151 C -0.0030 0.0098 0.0151 988 GLU 151 O -0.0032 0.0101 0.0155 989 GLU 151 CB -0.0058 0.0101 0.0148 990 GLU 151 CG -0.0069 0.0101 0.0145 991 GLU 151 CD -0.0086 0.0105 0.0145 992 GLU 151 OE1 -0.0091 0.0103 0.0141 993 GLU 151 OE2 -0.0094 0.0110 0.0149 994 PRO 152 N -0.0020 0.0104 0.0157 995 PRO 152 CA -0.0009 0.0098 0.0157 996 PRO 152 C -0.0014 0.0095 0.0148 997 PRO 152 O -0.0024 0.0093 0.0137 998 PRO 152 CB 0.0003 0.0090 0.0153 999 PRO 152 CG -0.0005 0.0087 0.0142 1000 PRO 152 CD -0.0017 0.0097 0.0149 1001 ASP 153 N -0.0008 0.0095 0.0152 1002 ASP 153 CA -0.0012 0.0091 0.0144 1003 ASP 153 C -0.0004 0.0080 0.0133 1004 ASP 153 O -0.0009 0.0075 0.0121 1005 ASP 153 CB -0.0008 0.0095 0.0152 1006 ASP 153 CG -0.0017 0.0106 0.0162 1007 ASP 153 OD1 -0.0030 0.0110 0.0158 1008 ASP 153 OD2 -0.0011 0.0110 0.0173 1009 LEU 154 N 0.0014 0.0080 0.0136 1010 LEU 154 CA 0.0025 0.0070 0.0127 1011 LEU 154 C 0.0027 0.0065 0.0121 1012 LEU 154 O 0.0026 0.0071 0.0129 1013 LEU 154 CB 0.0042 0.0069 0.0134 1014 LEU 154 CG 0.0042 0.0074 0.0141 1015 LEU 154 CD1 0.0058 0.0074 0.0149 1016 LEU 154 CD2 0.0036 0.0068 0.0130 1017 LEU 155 N 0.0029 0.0056 0.0107 1018 LEU 155 CA 0.0030 0.0051 0.0100 1019 LEU 155 C 0.0044 0.0052 0.0108 1020 LEU 155 O 0.0057 0.0050 0.0112 1021 LEU 155 CB 0.0033 0.0040 0.0085 1022 LEU 155 CG 0.0034 0.0034 0.0076 1023 LEU 155 CD1 0.0019 0.0037 0.0074 1024 LEU 155 CD2 0.0038 0.0023 0.0062 1025 GLN 156 N 0.0039 0.0055 0.0108 1026 GLN 156 CA 0.0052 0.0057 0.0116 1027 GLN 156 C 0.0058 0.0048 0.0106 1028 GLN 156 O 0.0049 0.0043 0.0095 1029 GLN 156 CB 0.0044 0.0066 0.0128 1030 GLN 156 CG 0.0039 0.0075 0.0139 1031 GLN 156 CD 0.0053 0.0077 0.0147 1032 GLN 156 OE1 0.0064 0.0080 0.0155 1033 GLN 156 NE2 0.0054 0.0076 0.0146 1034 CYS 157 N 0.0074 0.0047 0.0110 1035 CYS 157 CA 0.0082 0.0039 0.0102 1036 CYS 157 C 0.0089 0.0043 0.0110 1037 CYS 157 O 0.0093 0.0051 0.0123 1038 CYS 157 CB 0.0096 0.0031 0.0096 1039 CYS 157 SG 0.0089 0.0022 0.0079 1040 LEU 158 N 0.0092 0.0039 0.0102 1041 LEU 158 CA 0.0099 0.0042 0.0109 1042 LEU 158 C 0.0107 0.0033 0.0099 1043 LEU 158 O 0.0100 0.0027 0.0087 1044 LEU 158 CB 0.0084 0.0050 0.0114 1045 LEU 158 CG 0.0088 0.0053 0.0120 1046 LEU 158 CD1 0.0101 0.0059 0.0133 1047 LEU 158 CD2 0.0072 0.0059 0.0123 1048 ASP 159 N 0.0123 0.0032 0.0104 1049 ASP 159 CA 0.0132 0.0024 0.0096 1050 ASP 159 C 0.0129 0.0028 0.0101 1051 ASP 159 O 0.0133 0.0036 0.0113 1052 ASP 159 CB 0.0151 0.0021 0.0098 1053 ASP 159 CG 0.0154 0.0017 0.0093 1054 ASP 159 OD1 0.0151 0.0008 0.0080 1055 ASP 159 OD2 0.0159 0.0021 0.0102 1056 ALA 160 N 0.0125 0.0027 0.0093 1057 ALA 160 CA 0.0122 0.0031 0.0097 1058 ALA 160 C 0.0123 0.0022 0.0085 1059 ALA 160 O 0.0119 0.0014 0.0072 1060 ALA 160 CB 0.0104 0.0039 0.0102 1061 PRO 161 N 0.0127 0.0024 0.0089 1062 PRO 161 CA 0.0129 0.0016 0.0078 1063 PRO 161 C 0.0113 0.0017 0.0074 1064 PRO 161 O 0.0103 0.0025 0.0082 1065 PRO 161 CB 0.0143 0.0018 0.0085 1066 PRO 161 CG 0.0140 0.0029 0.0101 1067 PRO 161 CD 0.0135 0.0032 0.0103 1068 LEU 162 N 0.0112 0.0009 0.0060 1069 LEU 162 CA 0.0098 0.0009 0.0055 1070 LEU 162 C 0.0102 0.0014 0.0063 1071 LEU 162 O 0.0117 0.0011 0.0064 1072 LEU 162 CB 0.0098 -0.0003 0.0039 1073 LEU 162 CG 0.0087 -0.0008 0.0028 1074 LEU 162 CD1 0.0085 -0.0004 0.0033 1075 LEU 162 CD2 0.0094 -0.0020 0.0014 1076 LEU 163 N 0.0090 0.0022 0.0069 1077 LEU 163 CA 0.0093 0.0027 0.0077 1078 LEU 163 C 0.0089 0.0022 0.0069 1079 LEU 163 O 0.0078 0.0016 0.0058 1080 LEU 163 CB 0.0084 0.0039 0.0090 1081 LEU 163 CG 0.0088 0.0046 0.0101 1082 LEU 163 CD1 0.0076 0.0056 0.0111 1083 LEU 163 CD2 0.0106 0.0047 0.0108 1084 PRO 164 N 0.0096 0.0025 0.0074 1085 PRO 164 CA 0.0093 0.0020 0.0067 1086 PRO 164 C 0.0074 0.0025 0.0067 1087 PRO 164 O 0.0068 0.0034 0.0078 1088 PRO 164 CB 0.0104 0.0024 0.0075 1089 PRO 164 CG 0.0119 0.0025 0.0082 1090 PRO 164 CD 0.0110 0.0030 0.0086 1091 GLN 165 N 0.0066 0.0019 0.0056 1092 GLN 165 CA 0.0048 0.0023 0.0055 1093 GLN 165 C 0.0045 0.0032 0.0066 1094 GLN 165 O 0.0032 0.0039 0.0072 1095 GLN 165 CB 0.0042 0.0014 0.0041 1096 GLN 165 CG 0.0023 0.0015 0.0037 1097 GLN 165 CD 0.0017 0.0015 0.0035 1098 GLN 165 OE1 0.0027 0.0013 0.0035 1099 GLN 165 NE2 0.0000 0.0018 0.0033 1100 ALA 166 N 0.0057 0.0032 0.0070 1101 ALA 166 CA 0.0055 0.0040 0.0081 1102 ALA 166 C 0.0054 0.0051 0.0095 1103 ALA 166 O 0.0044 0.0058 0.0102 1104 ALA 166 CB 0.0071 0.0038 0.0083 1105 ASP 167 N 0.0063 0.0051 0.0098 1106 ASP 167 CA 0.0063 0.0061 0.0111 1107 ASP 167 C 0.0046 0.0064 0.0111 1108 ASP 167 O 0.0040 0.0073 0.0121 1109 ASP 167 CB 0.0078 0.0059 0.0114 1110 ASP 167 CG 0.0094 0.0058 0.0117 1111 ASP 167 OD1 0.0095 0.0064 0.0126 1112 ASP 167 OD2 0.0106 0.0050 0.0111 1113 CYS 168 N 0.0039 0.0057 0.0098 1114 CYS 168 CA 0.0024 0.0059 0.0096 1115 CYS 168 C 0.0009 0.0064 0.0099 1116 CYS 168 O -0.0001 0.0072 0.0106 1117 CYS 168 CB 0.0021 0.0049 0.0081 1118 CYS 168 SG 0.0006 0.0049 0.0077 1119 GLU 169 N 0.0009 0.0060 0.0092 1120 GLU 169 CA -0.0004 0.0064 0.0094 1121 GLU 169 C -0.0003 0.0074 0.0109 1122 GLU 169 O -0.0016 0.0081 0.0115 1123 GLU 169 CB -0.0003 0.0057 0.0085 1124 GLU 169 CG -0.0004 0.0046 0.0070 1125 GLU 169 CD -0.0005 0.0039 0.0059 1126 GLU 169 OE1 0.0005 0.0037 0.0061 1127 GLU 169 OE2 -0.0017 0.0034 0.0050 1128 ALA 170 N 0.0013 0.0076 0.0115 1129 ALA 170 CA 0.0015 0.0086 0.0130 1130 ALA 170 C 0.0009 0.0094 0.0139 1131 ALA 170 O 0.0003 0.0102 0.0149 1132 ALA 170 CB 0.0034 0.0085 0.0134 1133 SER 171 N 0.0011 0.0090 0.0135 1134 SER 171 CA 0.0005 0.0097 0.0143 1135 SER 171 C -0.0014 0.0099 0.0141 1136 SER 171 O -0.0021 0.0108 0.0150 1137 SER 171 CB 0.0013 0.0093 0.0139 1138 SER 171 OG 0.0031 0.0093 0.0144 1139 TYR 172 N -0.0023 0.0093 0.0127 1140 TYR 172 CA -0.0041 0.0094 0.0124 1141 TYR 172 C -0.0048 0.0091 0.0118 1142 TYR 172 O -0.0053 0.0084 0.0106 1143 TYR 172 CB -0.0046 0.0087 0.0113 1144 TYR 172 CG -0.0041 0.0089 0.0117 1145 TYR 172 CD1 -0.0026 0.0086 0.0115 1146 TYR 172 CD2 -0.0053 0.0095 0.0122 1147 TYR 172 CE1 -0.0021 0.0087 0.0119 1148 TYR 172 CE2 -0.0049 0.0097 0.0126 1149 TYR 172 CZ -0.0033 0.0093 0.0124 1150 TYR 172 OH -0.0029 0.0095 0.0128 1151 PRO 173 N -0.0047 0.0098 0.0128 1152 PRO 173 CA -0.0053 0.0096 0.0124 1153 PRO 173 C -0.0069 0.0092 0.0115 1154 PRO 173 O -0.0082 0.0097 0.0119 1155 PRO 173 CB -0.0054 0.0106 0.0139 1156 PRO 173 CG -0.0041 0.0110 0.0148 1157 PRO 173 CD -0.0043 0.0107 0.0143 1158 GLY 174 N -0.0069 0.0084 0.0103 1159 GLY 174 CA -0.0083 0.0080 0.0094 1160 GLY 174 C -0.0091 0.0078 0.0088 1161 GLY 174 O -0.0105 0.0076 0.0082 1162 LYS 175 N -0.0083 0.0077 0.0090 1163 LYS 175 CA -0.0090 0.0075 0.0085 1164 LYS 175 C -0.0082 0.0066 0.0074 1165 LYS 175 O -0.0088 0.0062 0.0068 1166 LYS 175 CB -0.0090 0.0083 0.0096 1167 LYS 175 CG -0.0098 0.0093 0.0108 1168 LYS 175 CD -0.0116 0.0094 0.0105 1169 LYS 175 CE -0.0124 0.0104 0.0117 1170 LYS 175 NZ -0.0141 0.0105 0.0114 1171 ILE 176 N -0.0066 0.0059 0.0069 1172 ILE 176 CA -0.0057 0.0050 0.0059 1173 ILE 176 C -0.0060 0.0041 0.0046 1174 ILE 176 O -0.0060 0.0041 0.0046 1175 ILE 176 CB -0.0039 0.0050 0.0064 1176 ILE 176 CG1 -0.0036 0.0059 0.0076 1177 ILE 176 CG2 -0.0030 0.0041 0.0054 1178 ILE 176 CD1 -0.0040 0.0060 0.0077 1179 THR 177 N -0.0064 0.0034 0.0036 1180 THR 177 CA -0.0067 0.0025 0.0024 1181 THR 177 C -0.0053 0.0017 0.0016 1182 THR 177 O -0.0042 0.0019 0.0021 1183 THR 177 CB -0.0081 0.0022 0.0016 1184 THR 177 OG1 -0.0078 0.0019 0.0013 1185 THR 177 CG2 -0.0095 0.0031 0.0024 1186 ASP 178 N -0.0050 0.0008 0.0002 1187 ASP 178 CA -0.0037 -0.0001 -0.0006 1188 ASP 178 C -0.0037 -0.0004 -0.0010 1189 ASP 178 O -0.0025 -0.0010 -0.0015 1190 ASP 178 CB -0.0039 -0.0010 -0.0018 1191 ASP 178 CG -0.0039 -0.0007 -0.0015 1192 ASP 178 OD1 -0.0027 -0.0004 -0.0007 1193 ASP 178 OD2 -0.0050 -0.0008 -0.0020 1194 ASN 179 N -0.0049 -0.0000 -0.0009 1195 ASN 179 CA -0.0050 -0.0003 -0.0012 1196 ASN 179 C -0.0044 0.0004 -0.0001 1197 ASN 179 O -0.0047 0.0005 -0.0001 1198 ASN 179 CB -0.0067 -0.0003 -0.0018 1199 ASN 179 CG -0.0073 -0.0011 -0.0031 1200 ASN 179 OD1 -0.0065 -0.0019 -0.0040 1201 ASN 179 ND2 -0.0087 -0.0008 -0.0031 1202 MET 180 N -0.0038 0.0010 0.0009 1203 MET 180 CA -0.0033 0.0017 0.0021 1204 MET 180 C -0.0014 0.0017 0.0026 1205 MET 180 O -0.0008 0.0013 0.0023 1206 MET 180 CB -0.0042 0.0027 0.0034 1207 MET 180 CG -0.0060 0.0029 0.0031 1208 MET 180 SD -0.0071 0.0041 0.0045 1209 MET 180 CE -0.0092 0.0040 0.0038 1210 VAL 181 N -0.0006 0.0020 0.0033 1211 VAL 181 CA 0.0011 0.0020 0.0038 1212 VAL 181 C 0.0014 0.0029 0.0051 1213 VAL 181 O 0.0006 0.0031 0.0053 1214 VAL 181 CB 0.0022 0.0011 0.0027 1215 VAL 181 CG1 0.0019 0.0009 0.0024 1216 VAL 181 CG2 0.0040 0.0011 0.0032 1217 CYS 182 N 0.0022 0.0031 0.0060 1218 CYS 182 CA 0.0026 0.0040 0.0073 1219 CYS 182 C 0.0042 0.0036 0.0073 1220 CYS 182 O 0.0053 0.0029 0.0067 1221 CYS 182 CB 0.0029 0.0048 0.0085 1222 CYS 182 SG 0.0012 0.0056 0.0091 1223 VAL 183 N 0.0042 0.0041 0.0079 1224 VAL 183 CA 0.0057 0.0038 0.0080 1225 VAL 183 C 0.0060 0.0048 0.0095 1226 VAL 183 O 0.0048 0.0054 0.0100 1227 VAL 183 CB 0.0054 0.0031 0.0070 1228 VAL 183 CG1 0.0069 0.0028 0.0071 1229 VAL 183 CG2 0.0048 0.0022 0.0056 1230 GLY 184 N 0.0076 0.0047 0.0101 1231 GLY 184 CA 0.0080 0.0056 0.0115 1232 GLY 184 C 0.0092 0.0060 0.0125 1233 GLY 184 O 0.0104 0.0054 0.0121 1234 PHE 184 N 0.0089 0.0071 0.0138 1235 PHE 184 CA 0.0100 0.0075 0.0148 1236 PHE 184 C 0.0091 0.0084 0.0157 1237 PHE 184 O 0.0079 0.0091 0.0162 1238 PHE 184 CB 0.0111 0.0080 0.0158 1239 PHE 184 CG 0.0119 0.0072 0.0150 1240 PHE 184 CD1 0.0110 0.0071 0.0145 1241 PHE 184 CD2 0.0135 0.0067 0.0148 1242 PHE 184 CE1 0.0117 0.0064 0.0138 1243 PHE 184 CE2 0.0142 0.0059 0.0140 1244 PHE 184 CZ 0.0133 0.0058 0.0135 1245 LEU 185 N 0.0096 0.0084 0.0158 1246 LEU 185 CA 0.0088 0.0092 0.0166 1247 LEU 185 C 0.0089 0.0102 0.0181 1248 LEU 185 O 0.0080 0.0110 0.0189 1249 LEU 185 CB 0.0094 0.0089 0.0164 1250 LEU 185 CG 0.0091 0.0079 0.0149 1251 LEU 185 CD1 0.0099 0.0076 0.0148 1252 LEU 185 CD2 0.0072 0.0080 0.0145 1253 GLU 186 N 0.0102 0.0103 0.0187 1254 GLU 186 CA 0.0105 0.0112 0.0202 1255 GLU 186 C 0.0094 0.0116 0.0204 1256 GLU 186 O 0.0093 0.0125 0.0216 1257 GLU 186 CB 0.0124 0.0111 0.0206 1258 GLU 186 CG 0.0136 0.0103 0.0198 1259 GLU 186 CD 0.0138 0.0093 0.0184 1260 GLU 186 OE1 0.0143 0.0092 0.0184 1261 GLU 186 OE2 0.0134 0.0086 0.0173 1262 GLY 187 N 0.0085 0.0110 0.0193 1263 GLY 187 CA 0.0074 0.0114 0.0194 1264 GLY 187 C 0.0084 0.0113 0.0196 1265 GLY 187 O 0.0098 0.0108 0.0193 1266 GLY 188 N 0.0073 0.0116 0.0200 1267 GLY 188 CA 0.0082 0.0116 0.0203 1268 GLY 188 C 0.0080 0.0108 0.0191 1269 GLY 188 O 0.0079 0.0110 0.0194 1270 LYS 188 N 0.0079 0.0099 0.0178 1271 LYS 188 CA 0.0077 0.0091 0.0165 1272 LYS 188 C 0.0063 0.0086 0.0154 1273 LYS 188 O 0.0063 0.0084 0.0150 1274 LYS 188 CB 0.0094 0.0082 0.0159 1275 LYS 188 CG 0.0108 0.0086 0.0169 1276 LYS 188 CD 0.0125 0.0077 0.0162 1277 LYS 188 CE 0.0139 0.0080 0.0172 1278 LYS 188 NZ 0.0143 0.0089 0.0186 1279 ASP 189 N 0.0051 0.0085 0.0148 1280 ASP 189 CA 0.0036 0.0082 0.0138 1281 ASP 189 C 0.0025 0.0080 0.0132 1282 ASP 189 O 0.0026 0.0083 0.0137 1283 ASP 189 CB 0.0026 0.0090 0.0146 1284 ASP 189 CG 0.0014 0.0087 0.0137 1285 ASP 189 OD1 0.0014 0.0077 0.0124 1286 ASP 189 OD2 0.0006 0.0093 0.0143 1287 SER 190 N 0.0009 0.0075 0.0117 1288 SER 190 CA -0.0004 0.0073 0.0111 1289 SER 190 C -0.0017 0.0081 0.0120 1290 SER 190 O -0.0018 0.0086 0.0128 1291 SER 190 CB -0.0009 0.0065 0.0096 1292 SER 190 OG -0.0013 0.0065 0.0096 1293 CYS 191 N -0.0028 0.0082 0.0119 1294 CYS 191 CA -0.0041 0.0090 0.0128 1295 CYS 191 C -0.0056 0.0087 0.0121 1296 CYS 191 O -0.0056 0.0080 0.0109 1297 CYS 191 CB -0.0036 0.0097 0.0141 1298 CYS 191 SG -0.0046 0.0108 0.0156 1299 GLN 192 N -0.0087 0.0086 0.0108 1300 GLN 192 CA -0.0095 0.0090 0.0104 1301 GLN 192 C -0.0090 0.0088 0.0106 1302 GLN 192 O -0.0083 0.0091 0.0115 1303 GLN 192 CB -0.0102 0.0102 0.0108 1304 GLN 192 CG -0.0111 0.0105 0.0103 1305 GLN 192 CD -0.0106 0.0102 0.0105 1306 GLN 192 OE1 -0.0099 0.0106 0.0113 1307 GLN 192 NE2 -0.0110 0.0096 0.0097 1308 GLY 193 N -0.0094 0.0082 0.0098 1309 GLY 193 CA -0.0090 0.0079 0.0099 1310 GLY 193 C -0.0083 0.0067 0.0095 1311 GLY 193 O -0.0080 0.0062 0.0093 1312 ASP 194 N -0.0062 0.0072 0.0094 1313 ASP 194 CA -0.0051 0.0063 0.0085 1314 ASP 194 C -0.0057 0.0057 0.0074 1315 ASP 194 O -0.0050 0.0049 0.0064 1316 ASP 194 CB -0.0037 0.0064 0.0092 1317 ASP 194 CG -0.0028 0.0069 0.0102 1318 ASP 194 OD1 -0.0026 0.0066 0.0099 1319 ASP 194 OD2 -0.0023 0.0074 0.0113 1320 ALA 195 N -0.0070 0.0060 0.0074 1321 ALA 195 CA -0.0076 0.0055 0.0063 1322 ALA 195 C -0.0077 0.0047 0.0050 1323 ALA 195 O -0.0081 0.0047 0.0049 1324 ALA 195 CB -0.0091 0.0060 0.0066 1325 GLY 196 N -0.0072 0.0040 0.0040 1326 GLY 196 CA -0.0073 0.0030 0.0025 1327 GLY 196 C -0.0057 0.0024 0.0023 1328 GLY 196 O -0.0054 0.0015 0.0011 1329 GLY 197 N -0.0046 0.0029 0.0035 1330 GLY 197 CA -0.0029 0.0024 0.0034 1331 GLY 197 C -0.0017 0.0017 0.0028 1332 GLY 197 O -0.0020 0.0016 0.0026 1333 PRO 198 N -0.0003 0.0009 0.0022 1334 PRO 198 CA 0.0010 0.0001 0.0015 1335 PRO 198 C 0.0024 0.0004 0.0025 1336 PRO 198 O 0.0030 0.0011 0.0037 1337 PRO 198 CB 0.0017 -0.0007 0.0007 1338 PRO 198 CG 0.0018 0.0001 0.0017 1339 PRO 198 CD 0.0000 0.0009 0.0023 1340 VAL 199 N 0.0030 -0.0002 0.0019 1341 VAL 199 CA 0.0044 -0.0001 0.0025 1342 VAL 199 C 0.0054 -0.0013 0.0013 1343 VAL 199 O 0.0050 -0.0019 0.0001 1344 VAL 199 CB 0.0040 0.0002 0.0028 1345 VAL 199 CG1 0.0056 0.0002 0.0035 1346 VAL 199 CG2 0.0026 0.0013 0.0038 1347 VAL 200 N 0.0069 -0.0015 0.0013 1348 VAL 200 CA 0.0080 -0.0025 0.0001 1349 VAL 200 C 0.0097 -0.0027 0.0005 1350 VAL 200 O 0.0106 -0.0021 0.0017 1351 VAL 200 CB 0.0082 -0.0029 -0.0002 1352 VAL 200 CG1 0.0095 -0.0040 -0.0014 1353 VAL 200 CG2 0.0064 -0.0028 -0.0008 1354 CYS 201 N 0.0102 -0.0035 -0.0004 1355 CYS 201 CA 0.0118 -0.0038 -0.0002 1356 CYS 201 C 0.0127 -0.0049 -0.0016 1357 CYS 201 O 0.0120 -0.0056 -0.0028 1358 CYS 201 CB 0.0115 -0.0035 0.0000 1359 CYS 201 SG 0.0097 -0.0024 0.0009 1360 ASN 202 N 0.0144 -0.0052 -0.0014 1361 ASN 202 CA 0.0154 -0.0063 -0.0026 1362 ASN 202 C 0.0144 -0.0069 -0.0038 1363 ASN 202 O 0.0145 -0.0079 -0.0050 1364 ASN 202 CB 0.0159 -0.0069 -0.0032 1365 ASN 202 CG 0.0170 -0.0064 -0.0021 1366 ASN 202 OD1 0.0183 -0.0062 -0.0013 1367 ASN 202 ND2 0.0165 -0.0063 -0.0021 1368 GLY 203 N 0.0135 -0.0064 -0.0033 1369 GLY 203 CA 0.0126 -0.0069 -0.0044 1370 GLY 203 C 0.0109 -0.0070 -0.0052 1371 GLY 203 O 0.0101 -0.0075 -0.0062 1372 GLU 204 N 0.0103 -0.0065 -0.0048 1373 GLU 204 CA 0.0087 -0.0066 -0.0056 1374 GLU 204 C 0.0074 -0.0055 -0.0044 1375 GLU 204 O 0.0079 -0.0048 -0.0031 1376 GLU 204 CB 0.0090 -0.0072 -0.0063 1377 GLU 204 CG 0.0104 -0.0082 -0.0073 1378 GLU 204 CD 0.0104 -0.0089 -0.0084 1379 GLU 204 OE1 0.0102 -0.0085 -0.0078 1380 GLU 204 OE2 0.0107 -0.0098 -0.0097 1381 LEU 209 N 0.0058 -0.0054 -0.0049 1382 LEU 209 CA 0.0044 -0.0044 -0.0040 1383 LEU 209 C 0.0041 -0.0043 -0.0039 1384 LEU 209 O 0.0032 -0.0047 -0.0049 1385 LEU 209 CB 0.0027 -0.0045 -0.0047 1386 LEU 209 CG 0.0012 -0.0035 -0.0038 1387 LEU 209 CD1 0.0016 -0.0026 -0.0023 1388 LEU 209 CD2 -0.0005 -0.0037 -0.0047 1389 GLN 210 N 0.0047 -0.0036 -0.0026 1390 GLN 210 CA 0.0045 -0.0034 -0.0024 1391 GLN 210 C 0.0031 -0.0024 -0.0015 1392 GLN 210 O 0.0024 -0.0023 -0.0016 1393 GLN 210 CB 0.0062 -0.0033 -0.0017 1394 GLN 210 CG 0.0077 -0.0044 -0.0027 1395 GLN 210 CD 0.0074 -0.0051 -0.0039 1396 GLN 210 OE1 0.0065 -0.0048 -0.0038 1397 GLN 210 NE2 0.0082 -0.0061 -0.0051 1398 GLY 211 N 0.0023 -0.0017 -0.0005 1399 GLY 211 CA 0.0010 -0.0007 0.0003 1400 GLY 211 C -0.0001 -0.0002 0.0006 1401 GLY 211 O 0.0003 -0.0005 0.0004 1402 ILE 212 N -0.0016 0.0004 0.0010 1403 ILE 212 CA -0.0028 0.0010 0.0013 1404 ILE 212 C -0.0032 0.0021 0.0028 1405 ILE 212 O -0.0036 0.0024 0.0031 1406 ILE 212 CB -0.0045 0.0007 0.0003 1407 ILE 212 CG1 -0.0041 -0.0004 -0.0012 1408 ILE 212 CG2 -0.0057 0.0014 0.0008 1409 ILE 212 CD1 -0.0056 -0.0008 -0.0024 1410 VAL 213 N -0.0034 0.0028 0.0037 1411 VAL 213 CA -0.0038 0.0039 0.0051 1412 VAL 213 C -0.0055 0.0042 0.0051 1413 VAL 213 O -0.0066 0.0040 0.0044 1414 VAL 213 CB -0.0036 0.0044 0.0060 1415 VAL 213 CG1 -0.0040 0.0055 0.0074 1416 VAL 213 CG2 -0.0020 0.0040 0.0060 1417 SER 214 N -0.0057 0.0047 0.0057 1418 SER 214 CA -0.0073 0.0050 0.0057 1419 SER 214 C -0.0078 0.0061 0.0070 1420 SER 214 O -0.0088 0.0066 0.0075 1421 SER 214 CB -0.0073 0.0045 0.0048 1422 SER 214 OG -0.0089 0.0047 0.0046 1423 TRP 215 N -0.0075 0.0065 0.0073 1424 TRP 215 CA -0.0079 0.0074 0.0084 1425 TRP 215 C -0.0069 0.0078 0.0093 1426 TRP 215 O -0.0057 0.0075 0.0091 1427 TRP 215 CB -0.0092 0.0075 0.0083 1428 TRP 215 CG -0.0089 0.0071 0.0078 1429 TRP 215 CD1 -0.0088 0.0063 0.0067 1430 TRP 215 CD2 -0.0087 0.0075 0.0085 1431 TRP 215 NE1 -0.0086 0.0062 0.0066 1432 TRP 215 CE2 -0.0085 0.0069 0.0077 1433 TRP 215 CE3 -0.0086 0.0084 0.0096 1434 TRP 215 CZ2 -0.0083 0.0071 0.0080 1435 TRP 215 CZ3 -0.0084 0.0085 0.0099 1436 TRP 215 CH2 -0.0082 0.0079 0.0091 1437 GLY 216 N -0.0073 0.0086 0.0103 1438 GLY 216 CA -0.0064 0.0091 0.0112 1439 GLY 216 C -0.0071 0.0100 0.0123 1440 GLY 216 O -0.0081 0.0102 0.0124 1441 TYR 217 N -0.0062 0.0108 0.0133 1442 TYR 217 CA -0.0071 0.0119 0.0148 1443 TYR 217 C -0.0061 0.0124 0.0158 1444 TYR 217 O -0.0044 0.0124 0.0164 1445 TYR 217 CB -0.0068 0.0124 0.0156 1446 TYR 217 CG -0.0077 0.0119 0.0147 1447 TYR 217 CD1 -0.0092 0.0115 0.0135 1448 TYR 217 CD2 -0.0071 0.0120 0.0149 1449 TYR 217 CE1 -0.0101 0.0111 0.0126 1450 TYR 217 CE2 -0.0080 0.0116 0.0140 1451 TYR 217 CZ -0.0094 0.0112 0.0129 1452 TYR 217 OH -0.0102 0.0108 0.0120 1453 GLY 219 N -0.0071 0.0126 0.0153 1454 GLY 219 CA -0.0062 0.0131 0.0165 1455 GLY 219 C -0.0048 0.0121 0.0159 1456 GLY 219 O -0.0049 0.0111 0.0145 1457 CYS 220 N -0.0035 0.0123 0.0169 1458 CYS 220 CA -0.0021 0.0114 0.0165 1459 CYS 220 C -0.0003 0.0115 0.0176 1460 CYS 220 O -0.0002 0.0125 0.0189 1461 CYS 220 CB -0.0024 0.0116 0.0166 1462 CYS 220 SG -0.0044 0.0115 0.0154 1463 ALA 221 N 0.0010 0.0114 0.0172 1464 ALA 221 CA 0.0027 0.0116 0.0180 1465 ALA 221 C 0.0029 0.0124 0.0193 1466 ALA 221 O 0.0041 0.0129 0.0202 1467 ALA 221 CB 0.0034 0.0118 0.0185 1468 LEU 221 N 0.0017 0.0126 0.0192 1469 LEU 221 CA 0.0017 0.0134 0.0204 1470 LEU 221 C 0.0029 0.0129 0.0201 1471 LEU 221 O 0.0030 0.0121 0.0188 1472 LEU 221 CB -0.0001 0.0138 0.0206 1473 LEU 221 CG -0.0015 0.0143 0.0209 1474 LEU 221 CD1 -0.0032 0.0147 0.0211 1475 LEU 221 CD2 -0.0010 0.0152 0.0223 1476 PRO 222 N 0.0038 0.0136 0.0212 1477 PRO 222 CA 0.0049 0.0132 0.0210 1478 PRO 222 C 0.0039 0.0129 0.0203 1479 PRO 222 O 0.0024 0.0134 0.0206 1480 PRO 222 CB 0.0058 0.0141 0.0225 1481 PRO 222 CG 0.0057 0.0146 0.0233 1482 PRO 222 CD 0.0039 0.0146 0.0227 1483 ASP 223 N 0.0046 0.0121 0.0190 1484 ASP 223 CA 0.0038 0.0117 0.0182 1485 ASP 223 C 0.0022 0.0113 0.0172 1486 ASP 223 O 0.0012 0.0112 0.0167 1487 ASP 223 CB 0.0033 0.0126 0.0193 1488 ASP 223 CG 0.0030 0.0121 0.0186 1489 ASP 223 OD1 0.0041 0.0114 0.0178 1490 ASP 223 OD2 0.0016 0.0125 0.0187 1491 ASN 224 N 0.0019 0.0112 0.0169 1492 ASN 224 CA 0.0004 0.0108 0.0158 1493 ASN 224 C 0.0009 0.0100 0.0149 1494 ASN 224 O 0.0003 0.0103 0.0151 1495 ASN 224 CB -0.0011 0.0116 0.0166 1496 ASN 224 CG -0.0021 0.0121 0.0171 1497 ASN 224 OD1 -0.0019 0.0130 0.0183 1498 ASN 224 ND2 -0.0031 0.0116 0.0160 1499 PRO 225 N 0.0020 0.0091 0.0143 1500 PRO 225 CA 0.0025 0.0084 0.0134 1501 PRO 225 C 0.0010 0.0080 0.0123 1502 PRO 225 O -0.0002 0.0080 0.0120 1503 PRO 225 CB 0.0039 0.0077 0.0127 1504 PRO 225 CG 0.0034 0.0077 0.0126 1505 PRO 225 CD 0.0028 0.0088 0.0140 1506 GLY 226 N 0.0010 0.0075 0.0116 1507 GLY 226 CA -0.0004 0.0071 0.0106 1508 GLY 226 C -0.0005 0.0062 0.0093 1509 GLY 226 O 0.0007 0.0057 0.0089 1510 VAL 227 N -0.0021 0.0062 0.0088 1511 VAL 227 CA -0.0024 0.0054 0.0076 1512 VAL 227 C -0.0028 0.0047 0.0064 1513 VAL 227 O -0.0037 0.0050 0.0066 1514 VAL 227 CB -0.0039 0.0058 0.0076 1515 VAL 227 CG1 -0.0042 0.0049 0.0064 1516 VAL 227 CG2 -0.0036 0.0066 0.0089 1517 TYR 228 N -0.0022 0.0037 0.0053 1518 TYR 228 CA -0.0025 0.0030 0.0042 1519 TYR 228 C -0.0031 0.0022 0.0029 1520 TYR 228 O -0.0028 0.0019 0.0027 1521 TYR 228 CB -0.0009 0.0025 0.0041 1522 TYR 228 CG -0.0002 0.0032 0.0053 1523 TYR 228 CD1 0.0006 0.0039 0.0064 1524 TYR 228 CD2 -0.0002 0.0033 0.0053 1525 TYR 228 CE1 0.0012 0.0046 0.0076 1526 TYR 228 CE2 0.0004 0.0039 0.0065 1527 TYR 228 CZ 0.0011 0.0046 0.0076 1528 TYR 228 OH 0.0016 0.0053 0.0087 1529 THR 229 N -0.0037 0.0018 0.0021 1530 THR 229 CA -0.0043 0.0010 0.0007 1531 THR 229 C -0.0028 0.0000 -0.0001 1532 THR 229 O -0.0019 -0.0002 -0.0002 1533 THR 229 CB -0.0057 0.0007 -0.0001 1534 THR 229 OG1 -0.0070 0.0016 0.0007 1535 THR 229 CG2 -0.0064 -0.0001 -0.0016 1536 LYS 230 N -0.0026 -0.0004 -0.0008 1537 LYS 230 CA -0.0012 -0.0013 -0.0016 1538 LYS 230 C -0.0016 -0.0022 -0.0031 1539 LYS 230 O -0.0023 -0.0027 -0.0041 1540 LYS 230 CB -0.0009 -0.0014 -0.0016 1541 LYS 230 CG 0.0008 -0.0021 -0.0021 1542 LYS 230 CD 0.0009 -0.0021 -0.0020 1543 LYS 230 CE 0.0027 -0.0027 -0.0023 1544 LYS 230 NZ 0.0028 -0.0027 -0.0022 1545 VAL 231 N -0.0009 -0.0027 -0.0035 1546 VAL 231 CA -0.0013 -0.0035 -0.0049 1547 VAL 231 C -0.0007 -0.0046 -0.0063 1548 VAL 231 O -0.0016 -0.0052 -0.0075 1549 VAL 231 CB -0.0006 -0.0036 -0.0047 1550 VAL 231 CG1 -0.0011 -0.0045 -0.0062 1551 VAL 231 CG2 -0.0012 -0.0026 -0.0035 1552 CYS 232 N 0.0007 -0.0048 -0.0061 1553 CYS 232 CA 0.0013 -0.0058 -0.0074 1554 CYS 232 C 0.0000 -0.0060 -0.0082 1555 CYS 232 O 0.0001 -0.0069 -0.0095 1556 CYS 232 CB 0.0030 -0.0059 -0.0069 1557 CYS 232 SG 0.0029 -0.0051 -0.0056 1558 ASN 233 N -0.0010 -0.0051 -0.0072 1559 ASN 233 CA -0.0024 -0.0053 -0.0079 1560 ASN 233 C -0.0039 -0.0056 -0.0088 1561 ASN 233 O -0.0051 -0.0058 -0.0095 1562 ASN 233 CB -0.0031 -0.0043 -0.0068 1563 ASN 233 CG -0.0019 -0.0041 -0.0061 1564 ASN 233 OD1 -0.0005 -0.0047 -0.0066 1565 ASN 233 ND2 -0.0023 -0.0031 -0.0048 1566 TYR 234 N -0.0038 -0.0056 -0.0088 1567 TYR 234 CA -0.0052 -0.0058 -0.0096 1568 TYR 234 C -0.0047 -0.0067 -0.0108 1569 TYR 234 O -0.0058 -0.0069 -0.0113 1570 TYR 234 CB -0.0061 -0.0048 -0.0085 1571 TYR 234 CG -0.0068 -0.0039 -0.0073 1572 TYR 234 CD1 -0.0084 -0.0037 -0.0076 1573 TYR 234 CD2 -0.0058 -0.0031 -0.0060 1574 TYR 234 CE1 -0.0090 -0.0028 -0.0065 1575 TYR 234 CE2 -0.0064 -0.0022 -0.0049 1576 TYR 234 CZ -0.0080 -0.0021 -0.0052 1577 TYR 234 OH -0.0087 -0.0012 -0.0042 1578 VAL 235 N -0.0031 -0.0075 -0.0115 1579 VAL 235 CA -0.0026 -0.0083 -0.0125 1580 VAL 235 C -0.0038 -0.0090 -0.0141 1581 VAL 235 O -0.0043 -0.0092 -0.0147 1582 VAL 235 CB -0.0006 -0.0090 -0.0128 1583 VAL 235 CG1 -0.0001 -0.0099 -0.0140 1584 VAL 235 CG2 0.0006 -0.0083 -0.0113 1585 ASP 236 N -0.0042 -0.0093 -0.0147 1586 ASP 236 CA -0.0053 -0.0100 -0.0162 1587 ASP 236 C -0.0072 -0.0094 -0.0161 1588 ASP 236 O -0.0079 -0.0099 -0.0171 1589 ASP 236 CB -0.0054 -0.0103 -0.0168 1590 ASP 236 CG -0.0036 -0.0111 -0.0172 1591 ASP 236 OD1 -0.0028 -0.0118 -0.0179 1592 ASP 236 OD2 -0.0030 -0.0110 -0.0168 1593 TRP 237 N -0.0077 -0.0084 -0.0147 1594 TRP 237 CA -0.0095 -0.0078 -0.0145 1595 TRP 237 C -0.0095 -0.0078 -0.0144 1596 TRP 237 O -0.0108 -0.0079 -0.0151 1597 TRP 237 CB -0.0101 -0.0067 -0.0131 1598 TRP 237 CG -0.0119 -0.0061 -0.0128 1599 TRP 237 CD1 -0.0135 -0.0063 -0.0135 1600 TRP 237 CD2 -0.0121 -0.0053 -0.0116 1601 TRP 237 NE1 -0.0148 -0.0056 -0.0130 1602 TRP 237 CE2 -0.0140 -0.0050 -0.0118 1603 TRP 237 CE3 -0.0110 -0.0048 -0.0105 1604 TRP 237 CZ2 -0.0147 -0.0042 -0.0109 1605 TRP 237 CZ3 -0.0117 -0.0041 -0.0096 1606 TRP 237 CH2 -0.0135 -0.0038 -0.0098 1607 ILE 238 N -0.0081 -0.0076 -0.0137 1608 ILE 238 CA -0.0080 -0.0075 -0.0135 1609 ILE 238 C -0.0079 -0.0086 -0.0151 1610 ILE 238 O -0.0090 -0.0086 -0.0155 1611 ILE 238 CB -0.0063 -0.0072 -0.0124 1612 ILE 238 CG1 -0.0065 -0.0061 -0.0108 1613 ILE 238 CG2 -0.0060 -0.0074 -0.0126 1614 ILE 238 CD1 -0.0049 -0.0057 -0.0097 1615 GLN 239 N -0.0068 -0.0095 -0.0161 1616 GLN 239 CA -0.0066 -0.0106 -0.0176 1617 GLN 239 C -0.0083 -0.0109 -0.0188 1618 GLN 239 O -0.0088 -0.0114 -0.0197 1619 GLN 239 CB -0.0050 -0.0114 -0.0183 1620 GLN 239 CG -0.0032 -0.0113 -0.0174 1621 GLN 239 CD -0.0016 -0.0121 -0.0181 1622 GLN 239 OE1 -0.0001 -0.0122 -0.0177 1623 GLN 239 NE2 -0.0020 -0.0126 -0.0190 1624 ASP 240 N -0.0092 -0.0107 -0.0188 1625 ASP 240 CA -0.0108 -0.0110 -0.0199 1626 ASP 240 C -0.0123 -0.0104 -0.0195 1627 ASP 240 O -0.0134 -0.0108 -0.0205 1628 ASP 240 CB -0.0114 -0.0109 -0.0199 1629 ASP 240 CG -0.0101 -0.0117 -0.0205 1630 ASP 240 OD1 -0.0091 -0.0125 -0.0214 1631 ASP 240 OD2 -0.0100 -0.0114 -0.0201 1632 THR 241 N -0.0123 -0.0094 -0.0180 1633 THR 241 CA -0.0138 -0.0087 -0.0174 1634 THR 241 C -0.0136 -0.0090 -0.0179 1635 THR 241 O -0.0149 -0.0091 -0.0184 1636 THR 241 CB -0.0138 -0.0075 -0.0156 1637 THR 241 OG1 -0.0142 -0.0072 -0.0152 1638 THR 241 CG2 -0.0153 -0.0068 -0.0151 1639 ILE 242 N -0.0118 -0.0093 -0.0177 1640 ILE 242 CA -0.0115 -0.0096 -0.0181 1641 ILE 242 C -0.0119 -0.0107 -0.0198 1642 ILE 242 O -0.0127 -0.0108 -0.0204 1643 ILE 242 CB -0.0095 -0.0097 -0.0175 1644 ILE 242 CG1 -0.0091 -0.0086 -0.0157 1645 ILE 242 CG2 -0.0090 -0.0103 -0.0182 1646 ILE 242 CD1 -0.0071 -0.0086 -0.0150 1647 ALA 243 N -0.0114 -0.0117 -0.0209 1648 ALA 243 CA -0.0118 -0.0128 -0.0227 1649 ALA 243 C -0.0139 -0.0128 -0.0234 1650 ALA 243 O -0.0144 -0.0136 -0.0247 1651 ALA 243 CB -0.0107 -0.0136 -0.0235 1652 ALA 244 N -0.0151 -0.0119 -0.0225 1653 ALA 244 CA -0.0171 -0.0118 -0.0230 1654 ALA 244 C -0.0183 -0.0110 -0.0224 1655 ALA 244 O -0.0200 -0.0110 -0.0230 1656 ALA 244 CB -0.0178 -0.0113 -0.0226 1657 ASN 245 N -0.0173 -0.0103 -0.0212 1658 ASN 245 CA -0.0183 -0.0096 -0.0206 1659 ASN 245 C -0.0174 -0.0098 -0.0206 1660 ASN 245 O -0.0179 -0.0091 -0.0197 1661 ASN 245 CB -0.0185 -0.0083 -0.0188 1662 ASN 245 CG -0.0197 -0.0079 -0.0187 1663 ASN 245 OD1 -0.0214 -0.0077 -0.0190 1664 ASN 245 ND2 -0.0188 -0.0079 -0.0183 1665 ASN 245 OXT -0.0163 -0.0108 -0.0216 1666 ARG 1 N 0.0518 -0.0340 -0.0392 1667 ARG 1 CA 0.0507 -0.0307 -0.0342 1668 ARG 1 C 0.0475 -0.0289 -0.0324 1669 ARG 1 O 0.0455 -0.0303 -0.0351 1670 ARG 1 CB 0.0474 -0.0299 -0.0340 1671 ARG 1 CG 0.0413 -0.0298 -0.0356 1672 ARG 1 CD 0.0384 -0.0298 -0.0365 1673 ARG 1 NE 0.0394 -0.0329 -0.0410 1674 ARG 1 CZ 0.0421 -0.0337 -0.0416 1675 ARG 1 NH1 0.0441 -0.0318 -0.0379 1676 ARG 1 NH2 0.0428 -0.0366 -0.0459 1677 PRO 2 N 0.0472 -0.0259 -0.0277 1678 PRO 2 CA 0.0442 -0.0240 -0.0255 1679 PRO 2 C 0.0383 -0.0242 -0.0276 1680 PRO 2 O 0.0356 -0.0245 -0.0289 1681 PRO 2 CB 0.0447 -0.0208 -0.0203 1682 PRO 2 CG 0.0501 -0.0214 -0.0197 1683 PRO 2 CD 0.0499 -0.0241 -0.0240 1684 ASP 3 N 0.0356 -0.0238 -0.0278 1685 ASP 3 CA 0.0301 -0.0240 -0.0299 1686 ASP 3 C 0.0256 -0.0216 -0.0275 1687 ASP 3 O 0.0216 -0.0222 -0.0298 1688 ASP 3 CB 0.0291 -0.0239 -0.0301 1689 ASP 3 CG 0.0286 -0.0209 -0.0254 1690 ASP 3 OD1 0.0317 -0.0194 -0.0220 1691 ASP 3 OD2 0.0250 -0.0200 -0.0251 1692 PHE 4 N 0.0263 -0.0188 -0.0229 1693 PHE 4 CA 0.0222 -0.0164 -0.0203 1694 PHE 4 C 0.0214 -0.0170 -0.0214 1695 PHE 4 O 0.0172 -0.0156 -0.0206 1696 PHE 4 CB 0.0235 -0.0134 -0.0150 1697 PHE 4 CG 0.0287 -0.0132 -0.0130 1698 PHE 4 CD1 0.0292 -0.0129 -0.0123 1699 PHE 4 CD2 0.0332 -0.0134 -0.0118 1700 PHE 4 CE1 0.0341 -0.0126 -0.0103 1701 PHE 4 CE2 0.0380 -0.0131 -0.0098 1702 PHE 4 CZ 0.0384 -0.0128 -0.0091 1703 CYS 5 N 0.0257 -0.0190 -0.0233 1704 CYS 5 CA 0.0254 -0.0197 -0.0244 1705 CYS 5 C 0.0213 -0.0215 -0.0284 1706 CYS 5 O 0.0195 -0.0216 -0.0292 1707 CYS 5 CB 0.0306 -0.0214 -0.0256 1708 CYS 5 SG 0.0360 -0.0195 -0.0211 1709 LEU 6 N 0.0200 -0.0229 -0.0310 1710 LEU 6 CA 0.0163 -0.0247 -0.0350 1711 LEU 6 C 0.0107 -0.0231 -0.0341 1712 LEU 6 O 0.0070 -0.0243 -0.0370 1713 LEU 6 CB 0.0180 -0.0274 -0.0387 1714 LEU 6 CG 0.0237 -0.0292 -0.0398 1715 LEU 6 CD1 0.0249 -0.0317 -0.0435 1716 LEU 6 CD2 0.0245 -0.0303 -0.0413 1717 GLU 7 N 0.0106 -0.0191 -0.0294 1718 GLU 7 CA 0.0057 -0.0177 -0.0280 1719 GLU 7 C 0.0031 -0.0166 -0.0266 1720 GLU 7 O 0.0055 -0.0158 -0.0247 1721 GLU 7 CB 0.0059 -0.0156 -0.0242 1722 GLU 7 CG 0.0077 -0.0165 -0.0255 1723 GLU 7 CD 0.0041 -0.0179 -0.0288 1724 GLU 7 OE1 -0.0002 -0.0168 -0.0277 1725 GLU 7 OE2 0.0056 -0.0202 -0.0325 1726 PRO 8 N -0.0018 -0.0164 -0.0275 1727 PRO 8 CA -0.0045 -0.0154 -0.0262 1728 PRO 8 C -0.0046 -0.0126 -0.0213 1729 PRO 8 O -0.0041 -0.0114 -0.0190 1730 PRO 8 CB -0.0096 -0.0160 -0.0286 1731 PRO 8 CG -0.0102 -0.0160 -0.0288 1732 PRO 8 CD -0.0051 -0.0174 -0.0300 1733 PRO 9 N -0.0043 -0.0106 -0.0170 1734 PRO 9 CA -0.0045 -0.0075 -0.0128 1735 PRO 9 C -0.0081 -0.0048 -0.0111 1736 PRO 9 O -0.0119 -0.0047 -0.0133 1737 PRO 9 CB -0.0056 -0.0075 -0.0135 1738 PRO 9 CG -0.0083 -0.0095 -0.0178 1739 PRO 9 CD -0.0057 -0.0121 -0.0200 1740 TYR 10 N -0.0068 -0.0025 -0.0071 1741 TYR 10 CA -0.0098 0.0003 -0.0051 1742 TYR 10 C -0.0115 0.0032 -0.0019 1743 TYR 10 O -0.0088 0.0044 0.0013 1744 TYR 10 CB -0.0070 0.0006 -0.0029 1745 TYR 10 CG -0.0097 0.0033 -0.0008 1746 TYR 10 CD1 -0.0132 0.0032 -0.0030 1747 TYR 10 CD2 -0.0086 0.0059 0.0035 1748 TYR 10 CE1 -0.0156 0.0056 -0.0010 1749 TYR 10 CE2 -0.0109 0.0083 0.0055 1750 TYR 10 CZ -0.0144 0.0082 0.0033 1751 TYR 10 OH -0.0167 0.0106 0.0053 1752 THR 11 N -0.0119 0.0052 0.0038 1753 THR 11 CA -0.0127 0.0063 0.0050 1754 THR 11 C -0.0129 0.0074 0.0068 1755 THR 11 O -0.0124 0.0081 0.0083 1756 THR 11 CB -0.0147 0.0066 0.0039 1757 THR 11 OG1 -0.0145 0.0056 0.0024 1758 THR 11 CG2 -0.0157 0.0079 0.0053 1759 GLY 12 N -0.0135 0.0077 0.0068 1760 GLY 12 CA -0.0136 0.0088 0.0085 1761 GLY 12 C -0.0156 0.0100 0.0089 1762 GLY 12 O -0.0168 0.0101 0.0079 1763 PRO 13 N -0.0134 0.0107 0.0105 1764 PRO 13 CA -0.0130 0.0104 0.0104 1765 PRO 13 C -0.0127 0.0098 0.0102 1766 PRO 13 O -0.0123 0.0096 0.0102 1767 PRO 13 CB -0.0134 0.0103 0.0103 1768 PRO 13 CG -0.0140 0.0102 0.0102 1769 PRO 13 CD -0.0141 0.0106 0.0104 1770 CYS 14 N -0.0129 0.0096 0.0101 1771 CYS 14 CA -0.0127 0.0090 0.0100 1772 CYS 14 C -0.0121 0.0091 0.0100 1773 CYS 14 O -0.0119 0.0096 0.0102 1774 CYS 14 CB -0.0131 0.0087 0.0098 1775 CYS 14 SG -0.0137 0.0084 0.0097 1776 LYS 15 N -0.0102 0.0084 0.0093 1777 LYS 15 CA -0.0096 0.0085 0.0097 1778 LYS 15 C -0.0102 0.0084 0.0093 1779 LYS 15 O -0.0096 0.0082 0.0093 1780 LYS 15 CB -0.0082 0.0081 0.0096 1781 LYS 15 CG -0.0076 0.0083 0.0104 1782 LYS 15 CD -0.0062 0.0079 0.0103 1783 LYS 15 CE -0.0056 0.0081 0.0112 1784 LYS 15 NZ -0.0042 0.0078 0.0112 1785 ALA 16 N -0.0115 0.0085 0.0089 1786 ALA 16 CA -0.0121 0.0085 0.0085 1787 ALA 16 C -0.0124 0.0091 0.0096 1788 ALA 16 O -0.0121 0.0095 0.0106 1789 ALA 16 CB -0.0133 0.0084 0.0078 1790 ARG 17 N -0.0130 0.0101 0.0113 1791 ARG 17 CA -0.0130 0.0098 0.0111 1792 ARG 17 C -0.0126 0.0100 0.0111 1793 ARG 17 O -0.0126 0.0103 0.0114 1794 ARG 17 CB -0.0135 0.0099 0.0113 1795 ARG 17 CG -0.0137 0.0096 0.0111 1796 ARG 17 CD -0.0136 0.0097 0.0112 1797 ARG 17 NE -0.0138 0.0095 0.0110 1798 ARG 17 CZ -0.0138 0.0095 0.0111 1799 ARG 17 NH1 -0.0134 0.0099 0.0112 1800 ARG 17 NH2 -0.0140 0.0093 0.0109 1801 ILE 18 N -0.0122 0.0098 0.0109 1802 ILE 18 CA -0.0117 0.0100 0.0109 1803 ILE 18 C -0.0115 0.0097 0.0106 1804 ILE 18 O -0.0115 0.0093 0.0104 1805 ILE 18 CB -0.0113 0.0101 0.0109 1806 ILE 18 CG1 -0.0114 0.0105 0.0112 1807 ILE 18 CG2 -0.0108 0.0103 0.0109 1808 ILE 18 CD1 -0.0111 0.0106 0.0112 1809 ILE 19 N -0.0092 0.0096 0.0122 1810 ILE 19 CA -0.0075 0.0073 0.0094 1811 ILE 19 C -0.0034 0.0067 0.0090 1812 ILE 19 O -0.0009 0.0081 0.0111 1813 ILE 19 CB -0.0075 0.0073 0.0094 1814 ILE 19 CG1 -0.0117 0.0079 0.0097 1815 ILE 19 CG2 -0.0059 0.0049 0.0063 1816 ILE 19 CD1 -0.0120 0.0079 0.0096 1817 ARG 20 N -0.0028 0.0047 0.0064 1818 ARG 20 CA 0.0011 0.0039 0.0058 1819 ARG 20 C 0.0021 0.0013 0.0025 1820 ARG 20 O -0.0003 0.0001 0.0007 1821 ARG 20 CB 0.0011 0.0041 0.0060 1822 ARG 20 CG 0.0009 0.0066 0.0093 1823 ARG 20 CD 0.0045 0.0078 0.0113 1824 ARG 20 NE 0.0043 0.0102 0.0145 1825 ARG 20 CZ 0.0048 0.0109 0.0154 1826 ARG 20 NH1 0.0056 0.0093 0.0134 1827 ARG 20 NH2 0.0045 0.0132 0.0184 1828 TYR 21 N 0.0096 0.0005 0.0019 1829 TYR 21 CA 0.0114 -0.0026 -0.0021 1830 TYR 21 C 0.0121 -0.0043 -0.0044 1831 TYR 21 O 0.0133 -0.0032 -0.0025 1832 TYR 21 CB 0.0163 -0.0031 -0.0016 1833 TYR 21 CG 0.0160 -0.0022 -0.0003 1834 TYR 21 CD1 0.0148 -0.0040 -0.0032 1835 TYR 21 CD2 0.0168 0.0006 0.0038 1836 TYR 21 CE1 0.0145 -0.0031 -0.0021 1837 TYR 21 CE2 0.0164 0.0014 0.0050 1838 TYR 21 CZ 0.0153 -0.0004 0.0020 1839 TYR 21 OH 0.0149 0.0005 0.0032 1840 PHE 22 N 0.0111 -0.0070 -0.0085 1841 PHE 22 CA 0.0118 -0.0088 -0.0110 1842 PHE 22 C 0.0139 -0.0120 -0.0149 1843 PHE 22 O 0.0133 -0.0127 -0.0161 1844 PHE 22 CB 0.0069 -0.0087 -0.0121 1845 PHE 22 CG 0.0036 -0.0105 -0.0155 1846 PHE 22 CD1 0.0011 -0.0095 -0.0148 1847 PHE 22 CD2 0.0029 -0.0131 -0.0194 1848 PHE 22 CE1 -0.0021 -0.0111 -0.0179 1849 PHE 22 CE2 -0.0002 -0.0147 -0.0225 1850 PHE 22 CZ -0.0027 -0.0137 -0.0218 1851 TYR 23 N 0.0171 -0.0141 -0.0178 1852 TYR 23 CA 0.0194 -0.0173 -0.0221 1853 TYR 23 C 0.0151 -0.0192 -0.0262 1854 TYR 23 O 0.0129 -0.0193 -0.0268 1855 TYR 23 CB 0.0245 -0.0186 -0.0228 1856 TYR 23 CG 0.0273 -0.0218 -0.0271 1857 TYR 23 CD1 0.0304 -0.0223 -0.0272 1858 TYR 23 CD2 0.0268 -0.0243 -0.0311 1859 TYR 23 CE1 0.0329 -0.0253 -0.0311 1860 TYR 23 CE2 0.0294 -0.0273 -0.0351 1861 TYR 23 CZ 0.0324 -0.0278 -0.0351 1862 TYR 23 OH 0.0350 -0.0308 -0.0390 1863 ASN 24 N 0.0138 -0.0208 -0.0288 1864 ASN 24 CA 0.0097 -0.0228 -0.0329 1865 ASN 24 C 0.0129 -0.0261 -0.0372 1866 ASN 24 O 0.0148 -0.0276 -0.0391 1867 ASN 24 CB 0.0063 -0.0226 -0.0334 1868 ASN 24 CG 0.0016 -0.0242 -0.0371 1869 ASN 24 OD1 0.0019 -0.0265 -0.0405 1870 ASN 24 ND2 -0.0028 -0.0232 -0.0366 1871 ALA 25 N 0.0136 -0.0268 -0.0386 1872 ALA 25 CA 0.0169 -0.0302 -0.0429 1873 ALA 25 C 0.0145 -0.0329 -0.0479 1874 ALA 25 O 0.0180 -0.0354 -0.0507 1875 ALA 25 CB 0.0166 -0.0307 -0.0437 1876 LYS 26 N 0.0086 -0.0323 -0.0489 1877 LYS 26 CA 0.0058 -0.0347 -0.0535 1878 LYS 26 C 0.0080 -0.0355 -0.0541 1879 LYS 26 O 0.0091 -0.0385 -0.0583 1880 LYS 26 CB -0.0010 -0.0333 -0.0535 1881 LYS 26 CG -0.0045 -0.0357 -0.0583 1882 LYS 26 CD -0.0112 -0.0341 -0.0580 1883 LYS 26 CE -0.0147 -0.0365 -0.0628 1884 LYS 26 NZ -0.0213 -0.0349 -0.0625 1885 ALA 27 N 0.0089 -0.0327 -0.0492 1886 ALA 27 CA 0.0109 -0.0330 -0.0492 1887 ALA 27 C 0.0172 -0.0332 -0.0478 1888 ALA 27 O 0.0198 -0.0338 -0.0481 1889 ALA 27 CB 0.0078 -0.0304 -0.0457 1890 GLY 28 N 0.0195 -0.0325 -0.0461 1891 GLY 28 CA 0.0255 -0.0326 -0.0447 1892 GLY 28 C 0.0273 -0.0302 -0.0403 1893 GLY 28 O 0.0319 -0.0307 -0.0399 1894 LEU 29 N 0.0233 -0.0270 -0.0366 1895 LEU 29 CA 0.0246 -0.0246 -0.0323 1896 LEU 29 C 0.0216 -0.0216 -0.0282 1897 LEU 29 O 0.0176 -0.0215 -0.0288 1898 LEU 29 CB 0.0231 -0.0249 -0.0331 1899 LEU 29 CG 0.0243 -0.0225 -0.0290 1900 LEU 29 CD1 0.0303 -0.0222 -0.0273 1901 LEU 29 CD2 0.0227 -0.0232 -0.0305 1902 CYS 30 N 0.0236 -0.0193 -0.0239 1903 CYS 30 CA 0.0211 -0.0163 -0.0197 1904 CYS 30 C 0.0167 -0.0149 -0.0185 1905 CYS 30 O 0.0176 -0.0150 -0.0183 1906 CYS 30 CB 0.0254 -0.0144 -0.0156 1907 CYS 30 SG 0.0302 -0.0153 -0.0161 1908 GLN 31 N 0.0121 -0.0135 -0.0168 1909 GLN 31 CA 0.0075 -0.0120 -0.0158 1910 GLN 31 C 0.0052 -0.0089 -0.0116 1911 GLN 31 O 0.0071 -0.0079 -0.0097 1912 GLN 31 CB 0.0032 -0.0140 -0.0198 1913 GLN 31 CG 0.0054 -0.0174 -0.0243 1914 GLN 31 CD 0.0011 -0.0193 -0.0282 1915 GLN 31 OE1 -0.0019 -0.0192 -0.0288 1916 GLN 31 NE2 0.0007 -0.0210 -0.0308 1917 THR 32 N 0.0010 -0.0072 -0.0102 1918 THR 32 CA -0.0015 -0.0042 -0.0062 1919 THR 32 C -0.0067 -0.0042 -0.0075 1920 THR 32 O -0.0093 -0.0062 -0.0111 1921 THR 32 CB -0.0027 -0.0019 -0.0031 1922 THR 32 OG1 -0.0062 -0.0030 -0.0055 1923 THR 32 CG2 0.0024 -0.0016 -0.0013 1924 PHE 33 N -0.0058 0.0006 -0.0016 1925 PHE 33 CA -0.0088 0.0006 -0.0019 1926 PHE 33 C -0.0099 0.0027 0.0009 1927 PHE 33 O -0.0079 0.0039 0.0030 1928 PHE 33 CB -0.0083 -0.0007 -0.0037 1929 PHE 33 CG -0.0063 0.0002 -0.0022 1930 PHE 33 CD1 -0.0029 0.0003 -0.0017 1931 PHE 33 CD2 -0.0080 0.0009 -0.0014 1932 PHE 33 CE1 -0.0011 0.0011 -0.0004 1933 PHE 33 CE2 -0.0062 0.0017 -0.0000 1934 PHE 33 CZ -0.0027 0.0018 0.0004 1935 VAL 34 N -0.0129 0.0030 0.0012 1936 VAL 34 CA -0.0141 0.0050 0.0038 1937 VAL 34 C -0.0134 0.0053 0.0044 1938 VAL 34 O -0.0147 0.0044 0.0029 1939 VAL 34 CB -0.0180 0.0054 0.0040 1940 VAL 34 CG1 -0.0192 0.0074 0.0067 1941 VAL 34 CG2 -0.0188 0.0052 0.0037 1942 TYR 35 N -0.0111 0.0070 0.0077 1943 TYR 35 CA -0.0105 0.0073 0.0083 1944 TYR 35 C -0.0116 0.0084 0.0093 1945 TYR 35 O -0.0120 0.0091 0.0100 1946 TYR 35 CB -0.0087 0.0074 0.0089 1947 TYR 35 CG -0.0081 0.0079 0.0097 1948 TYR 35 CD1 -0.0082 0.0076 0.0093 1949 TYR 35 CD2 -0.0072 0.0087 0.0110 1950 TYR 35 CE1 -0.0076 0.0081 0.0100 1951 TYR 35 CE2 -0.0065 0.0092 0.0118 1952 TYR 35 CZ -0.0067 0.0089 0.0113 1953 TYR 35 OH -0.0061 0.0093 0.0120 1954 GLY 36 N -0.0122 0.0086 0.0094 1955 GLY 36 CA -0.0132 0.0096 0.0103 1956 GLY 36 C -0.0125 0.0106 0.0118 1957 GLY 36 O -0.0134 0.0115 0.0126 1958 GLY 37 N -0.0125 0.0093 0.0115 1959 GLY 37 CA -0.0125 0.0093 0.0117 1960 GLY 37 C -0.0126 0.0092 0.0116 1961 GLY 37 O -0.0125 0.0092 0.0117 1962 CYS 38 N -0.0127 0.0092 0.0115 1963 CYS 38 CA -0.0127 0.0092 0.0114 1964 CYS 38 C -0.0128 0.0092 0.0112 1965 CYS 38 O -0.0128 0.0092 0.0111 1966 CYS 38 CB -0.0129 0.0091 0.0115 1967 CYS 38 SG -0.0131 0.0091 0.0114 1968 ARG 39 N -0.0092 0.0094 0.0150 1969 ARG 39 CA -0.0090 0.0088 0.0127 1970 ARG 39 C -0.0075 0.0077 0.0101 1971 ARG 39 O -0.0085 0.0072 0.0077 1972 ARG 39 CB -0.0121 0.0091 0.0119 1973 ARG 39 CG -0.0136 0.0101 0.0143 1974 ARG 39 CD -0.0169 0.0105 0.0137 1975 ARG 39 NE -0.0175 0.0100 0.0114 1976 ARG 39 CZ -0.0165 0.0099 0.0115 1977 ARG 39 NH1 -0.0150 0.0102 0.0138 1978 ARG 39 NH2 -0.0172 0.0094 0.0094 1979 ALA 40 N -0.0049 0.0074 0.0107 1980 ALA 40 CA -0.0032 0.0064 0.0084 1981 ALA 40 C -0.0019 0.0057 0.0066 1982 ALA 40 O -0.0013 0.0058 0.0076 1983 ALA 40 CB -0.0007 0.0063 0.0097 1984 LYS 41 N 0.0028 0.0047 0.0042 1985 LYS 41 CA 0.0059 0.0020 0.0017 1986 LYS 41 C 0.0105 0.0006 0.0017 1987 LYS 41 O 0.0107 0.0018 0.0033 1988 LYS 41 CB 0.0031 -0.0005 -0.0027 1989 LYS 41 CG -0.0009 0.0006 -0.0027 1990 LYS 41 CD -0.0035 -0.0018 -0.0071 1991 LYS 41 CE -0.0073 -0.0007 -0.0070 1992 LYS 41 NZ -0.0100 -0.0030 -0.0112 1993 ARG 42 N 0.0141 -0.0017 -0.0000 1994 ARG 42 CA 0.0187 -0.0030 -0.0000 1995 ARG 42 C 0.0184 -0.0047 -0.0025 1996 ARG 42 O 0.0213 -0.0047 -0.0014 1997 ARG 42 CB 0.0227 -0.0051 -0.0014 1998 ARG 42 CG 0.0246 -0.0032 0.0019 1999 ARG 42 CD 0.0280 -0.0053 0.0004 2000 ARG 42 NE 0.0255 -0.0070 -0.0028 2001 ARG 42 CZ 0.0277 -0.0089 -0.0046 2002 ARG 42 NH1 0.0325 -0.0095 -0.0035 2003 ARG 42 NH2 0.0250 -0.0103 -0.0076 2004 ASN 43 N 0.0158 -0.0060 -0.0063 2005 ASN 43 CA 0.0155 -0.0074 -0.0085 2006 ASN 43 C 0.0126 -0.0052 -0.0061 2007 ASN 43 O 0.0087 -0.0053 -0.0076 2008 ASN 43 CB 0.0131 -0.0097 -0.0129 2009 ASN 43 CG 0.0135 -0.0115 -0.0156 2010 ASN 43 OD1 0.0163 -0.0114 -0.0144 2011 ASN 43 ND2 0.0108 -0.0133 -0.0192 2012 ASN 44 N 0.0146 -0.0032 -0.0023 2013 ASN 44 CA 0.0125 -0.0008 0.0005 2014 ASN 44 C 0.0166 0.0000 0.0032 2015 ASN 44 O 0.0194 0.0009 0.0055 2016 ASN 44 CB 0.0095 0.0015 0.0031 2017 ASN 44 CG 0.0071 0.0040 0.0062 2018 ASN 44 OD1 0.0092 0.0049 0.0082 2019 ASN 44 ND2 0.0026 0.0053 0.0067 2020 PHE 45 N 0.0185 -0.0003 0.0034 2021 PHE 45 CA 0.0223 0.0009 0.0057 2022 PHE 45 C 0.0205 0.0031 0.0083 2023 PHE 45 O 0.0169 0.0029 0.0074 2024 PHE 45 CB 0.0258 -0.0015 0.0030 2025 PHE 45 CG 0.0277 -0.0039 0.0001 2026 PHE 45 CD1 0.0250 -0.0061 -0.0034 2027 PHE 45 CD2 0.0320 -0.0039 0.0010 2028 PHE 45 CE1 0.0267 -0.0083 -0.0060 2029 PHE 45 CE2 0.0337 -0.0060 -0.0017 2030 PHE 45 CZ 0.0311 -0.0082 -0.0052 2031 LYS 46 N 0.0231 0.0052 0.0117 2032 LYS 46 CA 0.0218 0.0074 0.0144 2033 LYS 46 C 0.0234 0.0064 0.0134 2034 LYS 46 O 0.0223 0.0079 0.0153 2035 LYS 46 CB 0.0239 0.0101 0.0185 2036 LYS 46 CG 0.0214 0.0119 0.0204 2037 LYS 46 CD 0.0234 0.0146 0.0246 2038 LYS 46 CE 0.0205 0.0165 0.0266 2039 LYS 46 NZ 0.0203 0.0149 0.0244 2040 SER 47 N 0.0273 0.0040 0.0110 2041 SER 47 CA 0.0293 0.0028 0.0095 2042 SER 47 C 0.0304 -0.0007 0.0048 2043 SER 47 O 0.0315 -0.0021 0.0030 2044 SER 47 CB 0.0343 0.0040 0.0123 2045 SER 47 OG 0.0385 0.0028 0.0115 2046 ALA 48 N 0.0300 -0.0021 0.0027 2047 ALA 48 CA 0.0309 -0.0055 -0.0018 2048 ALA 48 C 0.0366 -0.0067 -0.0025 2049 ALA 48 O 0.0376 -0.0091 -0.0057 2050 ALA 48 CB 0.0298 -0.0064 -0.0034 2051 GLU 49 N 0.0407 -0.0056 0.0005 2052 GLU 49 CA 0.0463 -0.0066 0.0003 2053 GLU 49 C 0.0474 -0.0068 0.0003 2054 GLU 49 O 0.0501 -0.0091 -0.0025 2055 GLU 49 CB 0.0497 -0.0045 0.0041 2056 GLU 49 CG 0.0467 -0.0013 0.0081 2057 GLU 49 CD 0.0429 -0.0014 0.0071 2058 GLU 49 OE1 0.0447 -0.0026 0.0058 2059 GLU 49 OE2 0.0382 -0.0002 0.0077 2060 ASP 50 N 0.0453 -0.0044 0.0034 2061 ASP 50 CA 0.0461 -0.0043 0.0036 2062 ASP 50 C 0.0437 -0.0069 -0.0007 2063 ASP 50 O 0.0458 -0.0083 -0.0022 2064 ASP 50 CB 0.0435 -0.0012 0.0075 2065 ASP 50 CG 0.0472 0.0011 0.0117 2066 ASP 50 OD1 0.0485 0.0020 0.0134 2067 ASP 50 OD2 0.0488 0.0019 0.0133 2068 CYS 51 N 0.0393 -0.0073 -0.0019 2069 CYS 51 CA 0.0365 -0.0096 -0.0061 2070 CYS 51 C 0.0399 -0.0128 -0.0101 2071 CYS 51 O 0.0407 -0.0146 -0.0126 2072 CYS 51 CB 0.0311 -0.0093 -0.0071 2073 CYS 51 SG 0.0273 -0.0121 -0.0123 2074 MET 52 N 0.0420 -0.0135 -0.0106 2075 MET 52 CA 0.0453 -0.0165 -0.0143 2076 MET 52 C 0.0505 -0.0172 -0.0139 2077 MET 52 O 0.0523 -0.0197 -0.0173 2078 MET 52 CB 0.0466 -0.0168 -0.0144 2079 MET 52 CG 0.0419 -0.0170 -0.0158 2080 MET 52 SD 0.0386 -0.0201 -0.0214 2081 MET 52 CE 0.0436 -0.0234 -0.0250 2082 ARG 53 N 0.0531 -0.0152 -0.0098 2083 ARG 53 CA 0.0582 -0.0157 -0.0090 2084 ARG 53 C 0.0574 -0.0163 -0.0102 2085 ARG 53 O 0.0606 -0.0185 -0.0125 2086 ARG 53 CB 0.0605 -0.0127 -0.0040 2087 ARG 53 CG 0.0656 -0.0128 -0.0027 2088 ARG 53 CD 0.0679 -0.0099 0.0022 2089 ARG 53 NE 0.0643 -0.0071 0.0055 2090 ARG 53 CZ 0.0635 -0.0064 0.0061 2091 ARG 53 NH1 0.0659 -0.0085 0.0038 2092 ARG 53 NH2 0.0602 -0.0038 0.0092 2093 THR 54 N 0.0531 -0.0145 -0.0088 2094 THR 54 CA 0.0519 -0.0148 -0.0096 2095 THR 54 C 0.0497 -0.0177 -0.0145 2096 THR 54 O 0.0514 -0.0194 -0.0165 2097 THR 54 CB 0.0479 -0.0119 -0.0063 2098 THR 54 OG1 0.0501 -0.0092 -0.0017 2099 THR 54 CG2 0.0468 -0.0122 -0.0071 2100 CYS 55 N 0.0459 -0.0180 -0.0160 2101 CYS 55 CA 0.0433 -0.0205 -0.0206 2102 CYS 55 C 0.0448 -0.0233 -0.0245 2103 CYS 55 O 0.0427 -0.0255 -0.0285 2104 CYS 55 CB 0.0371 -0.0193 -0.0205 2105 CYS 55 SG 0.0344 -0.0168 -0.0174 2106 GLY 56 N 0.0482 -0.0232 -0.0233 2107 GLY 56 CA 0.0498 -0.0257 -0.0268 2108 GLY 56 C 0.0528 -0.0287 -0.0306 2109 GLY 56 O 0.0546 -0.0287 -0.0301 2110 GLY 56 OXT 0.0535 -0.0311 -0.0341