1 LYS 1 N 0.0053 0.0132 -0.0074 2 LYS 1 H1 0.0055 0.0137 -0.0072 3 LYS 1 H2 0.0047 0.0151 -0.0078 4 LYS 1 H3 0.0067 0.0125 -0.0063 5 LYS 1 CA 0.0033 0.0112 -0.0089 6 LYS 1 HA 0.0021 0.0122 -0.0098 7 LYS 1 CB 0.0039 0.0082 -0.0085 8 LYS 1 HB1 0.0043 0.0086 -0.0082 9 LYS 1 HB2 0.0053 0.0070 -0.0074 10 LYS 1 CG 0.0020 0.0060 -0.0100 11 LYS 1 HG1 0.0017 0.0055 -0.0102 12 LYS 1 HG2 0.0005 0.0072 -0.0111 13 LYS 1 CD 0.0023 0.0034 -0.0097 14 LYS 1 HD1 0.0021 0.0042 -0.0099 15 LYS 1 HD2 0.0040 0.0025 -0.0084 16 LYS 1 CE 0.0005 0.0012 -0.0111 17 LYS 1 HE1 0.0007 0.0006 -0.0110 18 LYS 1 HE2 -0.0011 0.0023 -0.0124 19 LYS 1 NZ 0.0004 -0.0014 -0.0112 20 LYS 1 HZ1 -0.0008 -0.0027 -0.0121 21 LYS 1 HZ2 -0.0001 -0.0008 -0.0116 22 LYS 1 HZ3 0.0019 -0.0025 -0.0100 23 LYS 1 C 0.0024 0.0111 -0.0096 24 LYS 1 O 0.0038 0.0106 -0.0086 25 VAL 2 N 0.0020 0.0105 -0.0089 26 VAL 2 H 0.0007 0.0106 -0.0095 27 VAL 2 CA 0.0012 0.0105 -0.0093 28 VAL 2 HA 0.0028 0.0107 -0.0085 29 VAL 2 CB -0.0007 0.0128 -0.0098 30 VAL 2 HB -0.0023 0.0124 -0.0106 31 VAL 2 CG1 -0.0014 0.0127 -0.0101 32 VAL 2 1HG1 -0.0027 0.0144 -0.0104 33 VAL 2 2HG1 -0.0023 0.0111 -0.0108 34 VAL 2 3HG1 0.0002 0.0131 -0.0093 35 VAL 2 CG2 0.0001 0.0155 -0.0088 36 VAL 2 1HG2 0.0003 0.0159 -0.0086 37 VAL 2 2HG2 -0.0013 0.0171 -0.0092 38 VAL 2 3HG2 0.0018 0.0160 -0.0079 39 VAL 2 C 0.0001 0.0078 -0.0103 40 VAL 2 O -0.0017 0.0074 -0.0113 41 PHE 3 N 0.0013 0.0019 -0.0083 42 PHE 3 H 0.0023 0.0027 -0.0077 43 PHE 3 CA 0.0009 -0.0002 -0.0091 44 PHE 3 HA 0.0003 -0.0013 -0.0096 45 PHE 3 CB 0.0029 -0.0013 -0.0086 46 PHE 3 HB1 0.0039 -0.0000 -0.0079 47 PHE 3 HB2 0.0026 -0.0021 -0.0090 48 PHE 3 CG 0.0040 -0.0031 -0.0087 49 PHE 3 CD1 0.0054 -0.0026 -0.0081 50 PHE 3 HD1 0.0056 -0.0010 -0.0075 51 PHE 3 CD2 0.0036 -0.0052 -0.0095 52 PHE 3 HD2 0.0026 -0.0057 -0.0100 53 PHE 3 CE1 0.0067 -0.0042 -0.0081 54 PHE 3 HE1 0.0079 -0.0038 -0.0075 55 PHE 3 CE2 0.0049 -0.0068 -0.0095 56 PHE 3 HE2 0.0048 -0.0085 -0.0100 57 PHE 3 CZ 0.0064 -0.0064 -0.0088 58 PHE 3 HZ 0.0073 -0.0075 -0.0088 59 PHE 3 C -0.0007 0.0002 -0.0095 60 PHE 3 O -0.0008 0.0019 -0.0091 61 GLY 4 N -0.0013 -0.0018 -0.0059 62 GLY 4 H -0.0012 -0.0035 -0.0070 63 GLY 4 CA -0.0026 -0.0018 -0.0064 64 GLY 4 HA1 -0.0030 0.0003 -0.0052 65 GLY 4 HA2 -0.0050 -0.0021 -0.0075 66 GLY 4 C -0.0005 -0.0041 -0.0072 67 GLY 4 O 0.0014 -0.0059 -0.0077 68 ARG 5 N 0.0035 -0.0091 -0.0024 69 ARG 5 H 0.0040 -0.0103 -0.0008 70 ARG 5 CA 0.0043 -0.0066 -0.0029 71 ARG 5 HA 0.0033 -0.0069 -0.0043 72 ARG 5 CB 0.0058 -0.0062 -0.0007 73 ARG 5 HB1 0.0054 -0.0076 -0.0003 74 ARG 5 HB2 0.0066 -0.0064 0.0008 75 ARG 5 CG 0.0068 -0.0037 -0.0008 76 ARG 5 HG1 0.0071 -0.0020 -0.0014 77 ARG 5 HG2 0.0060 -0.0037 -0.0021 78 ARG 5 CD 0.0082 -0.0036 0.0015 79 ARG 5 HD1 0.0089 -0.0018 0.0014 80 ARG 5 HD2 0.0078 -0.0051 0.0019 81 ARG 5 NE 0.0091 -0.0041 0.0035 82 ARG 5 HE 0.0087 -0.0058 0.0041 83 ARG 5 CZ 0.0105 -0.0023 0.0047 84 ARG 5 NH1 0.0112 0.0002 0.0040 85 ARG 5 1HH1 0.0108 0.0010 0.0027 86 ARG 5 2HH1 0.0122 0.0014 0.0048 87 ARG 5 NH2 0.0113 -0.0032 0.0065 88 ARG 5 1HH2 0.0110 -0.0050 0.0073 89 ARG 5 2HH2 0.0123 -0.0020 0.0074 90 ARG 5 C 0.0046 -0.0044 -0.0040 91 ARG 5 O 0.0039 -0.0032 -0.0060 92 CYS 6 N 0.0065 -0.0119 -0.0002 93 CYS 6 H 0.0061 -0.0123 0.0015 94 CYS 6 CA 0.0067 -0.0116 -0.0008 95 CYS 6 HA 0.0074 -0.0099 -0.0016 96 CYS 6 CB 0.0063 -0.0117 0.0013 97 CYS 6 HB1 0.0056 -0.0134 0.0021 98 CYS 6 HB2 0.0065 -0.0116 0.0005 99 CYS 6 SG 0.0066 -0.0092 0.0035 100 CYS 6 C 0.0065 -0.0135 -0.0028 101 CYS 6 O 0.0069 -0.0130 -0.0041 102 GLU 7 N 0.0002 -0.0115 -0.0088 103 GLU 7 H -0.0005 -0.0102 -0.0078 104 GLU 7 CA 0.0003 -0.0118 -0.0090 105 GLU 7 HA -0.0007 -0.0128 -0.0105 106 GLU 7 CB -0.0013 -0.0100 -0.0079 107 GLU 7 HB1 -0.0030 -0.0096 -0.0083 108 GLU 7 HB2 -0.0004 -0.0090 -0.0064 109 GLU 7 CG -0.0019 -0.0102 -0.0084 110 GLU 7 HG1 -0.0003 -0.0109 -0.0083 111 GLU 7 HG2 -0.0028 -0.0112 -0.0098 112 GLU 7 CD -0.0030 -0.0084 -0.0071 113 GLU 7 OE1 -0.0036 -0.0068 -0.0058 114 GLU 7 OE2 -0.0037 -0.0083 -0.0073 115 GLU 7 C 0.0029 -0.0122 -0.0081 116 GLU 7 O 0.0040 -0.0134 -0.0089 117 LEU 8 N 0.0031 -0.0098 -0.0068 118 LEU 8 H 0.0023 -0.0088 -0.0067 119 LEU 8 CA 0.0048 -0.0094 -0.0067 120 LEU 8 HA 0.0058 -0.0097 -0.0067 121 LEU 8 CB 0.0049 -0.0075 -0.0064 122 LEU 8 HB1 0.0044 -0.0067 -0.0063 123 LEU 8 HB2 0.0041 -0.0072 -0.0064 124 LEU 8 CG 0.0068 -0.0069 -0.0063 125 LEU 8 HG 0.0071 -0.0074 -0.0063 126 LEU 8 CD1 0.0082 -0.0073 -0.0063 127 LEU 8 1HD1 0.0092 -0.0063 -0.0061 128 LEU 8 2HD1 0.0087 -0.0086 -0.0064 129 LEU 8 3HD1 0.0078 -0.0073 -0.0063 130 LEU 8 CD2 0.0069 -0.0050 -0.0060 131 LEU 8 1HD2 0.0060 -0.0048 -0.0060 132 LEU 8 2HD2 0.0082 -0.0047 -0.0059 133 LEU 8 3HD2 0.0066 -0.0043 -0.0059 134 LEU 8 C 0.0052 -0.0104 -0.0068 135 LEU 8 O 0.0066 -0.0112 -0.0069 136 ALA 9 N 0.0076 -0.0110 -0.0042 137 ALA 9 H 0.0074 -0.0108 -0.0039 138 ALA 9 CA 0.0075 -0.0106 -0.0042 139 ALA 9 HA 0.0079 -0.0101 -0.0046 140 ALA 9 CB 0.0069 -0.0102 -0.0035 141 ALA 9 HB1 0.0068 -0.0098 -0.0034 142 ALA 9 HB2 0.0066 -0.0107 -0.0031 143 ALA 9 HB3 0.0068 -0.0097 -0.0034 144 ALA 9 C 0.0076 -0.0113 -0.0042 145 ALA 9 O 0.0080 -0.0111 -0.0046 146 ALA 10 N 0.0052 -0.0152 -0.0036 147 ALA 10 H 0.0046 -0.0151 -0.0032 148 ALA 10 CA 0.0054 -0.0163 -0.0040 149 ALA 10 HA 0.0053 -0.0164 -0.0040 150 ALA 10 CB 0.0045 -0.0171 -0.0036 151 ALA 10 HB1 0.0039 -0.0168 -0.0031 152 ALA 10 HB2 0.0046 -0.0174 -0.0038 153 ALA 10 HB3 0.0044 -0.0178 -0.0037 154 ALA 10 C 0.0063 -0.0166 -0.0048 155 ALA 10 O 0.0069 -0.0168 -0.0053 156 ALA 11 N 0.0050 -0.0153 -0.0061 157 ALA 11 H 0.0046 -0.0149 -0.0063 158 ALA 11 CA 0.0060 -0.0152 -0.0059 159 ALA 11 HA 0.0061 -0.0159 -0.0057 160 ALA 11 CB 0.0063 -0.0145 -0.0061 161 ALA 11 HB1 0.0062 -0.0138 -0.0063 162 ALA 11 HB2 0.0070 -0.0147 -0.0059 163 ALA 11 HB3 0.0061 -0.0147 -0.0061 164 ALA 11 C 0.0065 -0.0152 -0.0058 165 ALA 11 O 0.0071 -0.0157 -0.0056 166 MET 12 N 0.0067 -0.0125 -0.0037 167 MET 12 H 0.0059 -0.0120 -0.0036 168 MET 12 CA 0.0075 -0.0120 -0.0038 169 MET 12 HA 0.0086 -0.0121 -0.0039 170 MET 12 CB 0.0070 -0.0106 -0.0038 171 MET 12 HB1 0.0059 -0.0106 -0.0037 172 MET 12 HB2 0.0075 -0.0103 -0.0039 173 MET 12 CG 0.0075 -0.0093 -0.0040 174 MET 12 HG1 0.0086 -0.0095 -0.0041 175 MET 12 HG2 0.0071 -0.0095 -0.0039 176 MET 12 SD 0.0070 -0.0077 -0.0040 177 MET 12 CE 0.0082 -0.0067 -0.0043 178 MET 12 HE1 0.0083 -0.0057 -0.0043 179 MET 12 HE2 0.0093 -0.0072 -0.0043 180 MET 12 HE3 0.0079 -0.0066 -0.0042 181 MET 12 C 0.0073 -0.0130 -0.0037 182 MET 12 O 0.0084 -0.0134 -0.0038 183 LYS 13 N 0.0072 -0.0129 -0.0034 184 LYS 13 H 0.0070 -0.0133 -0.0026 185 LYS 13 CA 0.0074 -0.0120 -0.0035 186 LYS 13 HA 0.0076 -0.0110 -0.0038 187 LYS 13 CB 0.0072 -0.0119 -0.0021 188 LYS 13 HB1 0.0072 -0.0115 -0.0014 189 LYS 13 HB2 0.0070 -0.0129 -0.0017 190 LYS 13 CG 0.0073 -0.0112 -0.0019 191 LYS 13 HG1 0.0071 -0.0115 -0.0010 192 LYS 13 HG2 0.0073 -0.0116 -0.0027 193 LYS 13 CD 0.0075 -0.0097 -0.0019 194 LYS 13 HD1 0.0076 -0.0094 -0.0023 195 LYS 13 HD2 0.0077 -0.0093 -0.0025 196 LYS 13 CE 0.0075 -0.0091 -0.0005 197 LYS 13 HE1 0.0074 -0.0093 -0.0001 198 LYS 13 HE2 0.0073 -0.0095 0.0002 199 LYS 13 NZ 0.0077 -0.0077 -0.0004 200 LYS 13 HZ1 0.0076 -0.0073 0.0005 201 LYS 13 HZ2 0.0078 -0.0075 -0.0011 202 LYS 13 HZ3 0.0078 -0.0072 -0.0008 203 LYS 13 C 0.0074 -0.0125 -0.0045 204 LYS 13 O 0.0076 -0.0118 -0.0052 205 ARG 14 N 0.0055 -0.0168 -0.0056 206 ARG 14 H 0.0051 -0.0167 -0.0052 207 ARG 14 CA 0.0061 -0.0180 -0.0060 208 ARG 14 HA 0.0059 -0.0185 -0.0058 209 ARG 14 CB 0.0059 -0.0189 -0.0057 210 ARG 14 HB1 0.0051 -0.0189 -0.0051 211 ARG 14 HB2 0.0062 -0.0186 -0.0061 212 ARG 14 CG 0.0063 -0.0203 -0.0060 213 ARG 14 HG1 0.0070 -0.0204 -0.0067 214 ARG 14 HG2 0.0059 -0.0208 -0.0056 215 ARG 14 CD 0.0062 -0.0210 -0.0059 216 ARG 14 HD1 0.0067 -0.0206 -0.0064 217 ARG 14 HD2 0.0066 -0.0220 -0.0062 218 ARG 14 NE 0.0053 -0.0210 -0.0051 219 ARG 14 HE 0.0047 -0.0211 -0.0046 220 ARG 14 CZ 0.0050 -0.0208 -0.0048 221 ARG 14 NH1 0.0056 -0.0209 -0.0053 222 ARG 14 1HH1 0.0062 -0.0215 -0.0058 223 ARG 14 2HH1 0.0053 -0.0207 -0.0051 224 ARG 14 NH2 0.0040 -0.0207 -0.0040 225 ARG 14 1HH2 0.0036 -0.0206 -0.0036 226 ARG 14 2HH2 0.0038 -0.0205 -0.0038 227 ARG 14 C 0.0072 -0.0179 -0.0069 228 ARG 14 O 0.0075 -0.0183 -0.0073 229 HIS 15 N 0.0060 -0.0148 -0.0014 230 HIS 15 H 0.0063 -0.0151 -0.0016 231 HIS 15 CA 0.0052 -0.0150 -0.0012 232 HIS 15 HA 0.0050 -0.0145 -0.0010 233 HIS 15 CB 0.0051 -0.0154 -0.0012 234 HIS 15 HB1 0.0055 -0.0159 -0.0014 235 HIS 15 HB2 0.0046 -0.0157 -0.0011 236 HIS 15 CG 0.0053 -0.0151 -0.0012 237 HIS 15 ND1 0.0059 -0.0148 -0.0014 238 HIS 15 CD2 0.0048 -0.0151 -0.0011 239 HIS 15 HD2 0.0042 -0.0153 -0.0009 240 HIS 15 CE1 0.0057 -0.0147 -0.0013 241 HIS 15 HE1 0.0061 -0.0144 -0.0014 242 HIS 15 NE2 0.0051 -0.0148 -0.0011 243 HIS 15 HE2 0.0049 -0.0146 -0.0010 244 HIS 15 C 0.0049 -0.0153 -0.0011 245 HIS 15 O 0.0043 -0.0154 -0.0010 246 GLY 16 N 0.0038 -0.0107 0.0001 247 GLY 16 H 0.0040 -0.0108 0.0010 248 GLY 16 CA 0.0035 -0.0093 -0.0003 249 GLY 16 HA1 0.0036 -0.0087 0.0005 250 GLY 16 HA2 0.0033 -0.0091 -0.0011 251 GLY 16 C 0.0034 -0.0088 -0.0004 252 GLY 16 O 0.0032 -0.0078 -0.0009 253 LEU 17 N 0.0051 -0.0064 0.0019 254 LEU 17 H 0.0055 -0.0065 0.0019 255 LEU 17 CA 0.0049 -0.0072 0.0016 256 LEU 17 HA 0.0042 -0.0073 0.0015 257 LEU 17 CB 0.0053 -0.0081 0.0014 258 LEU 17 HB1 0.0060 -0.0079 0.0016 259 LEU 17 HB2 0.0055 -0.0086 0.0013 260 LEU 17 CG 0.0047 -0.0085 0.0012 261 LEU 17 HG 0.0047 -0.0080 0.0013 262 LEU 17 CD1 0.0052 -0.0094 0.0010 263 LEU 17 1HD1 0.0059 -0.0092 0.0012 264 LEU 17 2HD1 0.0052 -0.0099 0.0009 265 LEU 17 3HD1 0.0051 -0.0097 0.0009 266 LEU 17 CD2 0.0036 -0.0085 0.0010 267 LEU 17 1HD2 0.0033 -0.0090 0.0008 268 LEU 17 2HD2 0.0035 -0.0089 0.0009 269 LEU 17 3HD2 0.0033 -0.0078 0.0011 270 LEU 17 C 0.0053 -0.0071 0.0017 271 LEU 17 O 0.0048 -0.0075 0.0015 272 ASP 18 N 0.0066 -0.0049 -0.0001 273 ASP 18 H 0.0069 -0.0049 0.0002 274 ASP 18 CA 0.0064 -0.0044 0.0002 275 ASP 18 HA 0.0064 -0.0046 -0.0001 276 ASP 18 CB 0.0069 -0.0043 0.0010 277 ASP 18 HB1 0.0074 -0.0048 0.0010 278 ASP 18 HB2 0.0070 -0.0041 0.0013 279 ASP 18 CG 0.0068 -0.0039 0.0013 280 ASP 18 OD1 0.0065 -0.0040 0.0010 281 ASP 18 OD2 0.0070 -0.0036 0.0020 282 ASP 18 C 0.0057 -0.0038 0.0002 283 ASP 18 O 0.0055 -0.0034 0.0005 284 ASN 19 N 0.0036 0.0011 0.0017 285 ASN 19 H 0.0042 -0.0007 0.0013 286 ASN 19 CA 0.0017 0.0016 0.0015 287 ASN 19 HA 0.0024 -0.0000 0.0011 288 ASN 19 CB 0.0021 0.0038 0.0023 289 ASN 19 HB1 0.0040 0.0041 0.0027 290 ASN 19 HB2 0.0013 0.0055 0.0026 291 ASN 19 CG 0.0009 0.0035 0.0020 292 ASN 19 OD1 0.0016 0.0019 0.0016 293 ASN 19 ND2 -0.0010 0.0051 0.0021 294 ASN 19 1HD2 -0.0018 0.0064 0.0024 295 ASN 19 2HD2 -0.0016 0.0047 0.0019 296 ASN 19 C -0.0010 0.0014 0.0010 297 ASN 19 O -0.0027 0.0019 0.0008 298 TYR 20 N -0.0016 0.0000 0.0063 299 TYR 20 H -0.0000 -0.0001 0.0060 300 TYR 20 CA -0.0039 -0.0001 0.0066 301 TYR 20 HA -0.0049 0.0013 0.0073 302 TYR 20 CB -0.0033 0.0001 0.0066 303 TYR 20 HB1 -0.0018 0.0014 0.0069 304 TYR 20 HB2 -0.0025 -0.0014 0.0058 305 TYR 20 CG -0.0055 0.0008 0.0072 306 TYR 20 CD1 -0.0058 0.0030 0.0081 307 TYR 20 HD1 -0.0046 0.0044 0.0086 308 TYR 20 CD2 -0.0072 -0.0009 0.0067 309 TYR 20 HD2 -0.0070 -0.0027 0.0060 310 TYR 20 CE1 -0.0079 0.0035 0.0087 311 TYR 20 HE1 -0.0081 0.0052 0.0095 312 TYR 20 CE2 -0.0093 -0.0005 0.0073 313 TYR 20 HE2 -0.0105 -0.0019 0.0069 314 TYR 20 CZ -0.0097 0.0018 0.0083 315 TYR 20 OH -0.0118 0.0024 0.0088 316 TYR 20 HH -0.0121 0.0039 0.0095 317 TYR 20 C -0.0052 -0.0025 0.0058 318 TYR 20 O -0.0044 -0.0043 0.0049 319 ARG 21 N -0.0064 0.0085 0.0074 320 ARG 21 H -0.0077 0.0128 0.0093 321 ARG 21 CA -0.0109 0.0024 0.0060 322 ARG 21 HA -0.0156 0.0044 0.0077 323 ARG 21 CB -0.0135 -0.0023 0.0047 324 ARG 21 HB1 -0.0097 -0.0045 0.0031 325 ARG 21 HB2 -0.0165 -0.0065 0.0037 326 ARG 21 CG -0.0186 0.0010 0.0070 327 ARG 21 HG1 -0.0160 0.0056 0.0083 328 ARG 21 HG2 -0.0200 -0.0022 0.0061 329 ARG 21 CD -0.0252 0.0029 0.0091 330 ARG 21 HD1 -0.0291 0.0016 0.0094 331 ARG 21 HD2 -0.0264 0.0003 0.0083 332 ARG 21 NE -0.0253 0.0103 0.0119 333 ARG 21 HE -0.0206 0.0126 0.0119 334 ARG 21 CZ -0.0307 0.0139 0.0144 335 ARG 21 NH1 -0.0295 0.0202 0.0166 336 ARG 21 1HH1 -0.0245 0.0221 0.0163 337 ARG 21 2HH1 -0.0328 0.0238 0.0186 338 ARG 21 NH2 -0.0371 0.0112 0.0147 339 ARG 21 1HH2 -0.0383 0.0063 0.0130 340 ARG 21 2HH2 -0.0410 0.0143 0.0166 341 ARG 21 C -0.0078 -0.0015 0.0039 342 ARG 21 O -0.0102 -0.0069 0.0023 343 GLY 22 N -0.0030 0.0002 0.0042 344 GLY 22 H -0.0024 0.0019 0.0042 345 GLY 22 CA -0.0015 -0.0012 0.0033 346 GLY 22 HA1 -0.0009 0.0000 0.0032 347 GLY 22 HA2 -0.0026 -0.0026 0.0035 348 GLY 22 C 0.0003 -0.0021 0.0023 349 GLY 22 O 0.0016 -0.0033 0.0015 350 TYR 23 N 0.0002 0.0018 0.0016 351 TYR 23 H -0.0002 0.0016 0.0012 352 TYR 23 CA -0.0000 0.0013 0.0023 353 TYR 23 HA 0.0003 0.0015 0.0028 354 TYR 23 CB -0.0006 0.0008 0.0023 355 TYR 23 HB1 -0.0010 0.0007 0.0018 356 TYR 23 HB2 -0.0007 0.0005 0.0028 357 TYR 23 CG -0.0005 0.0009 0.0024 358 TYR 23 CD1 -0.0001 0.0010 0.0030 359 TYR 23 HD1 0.0000 0.0009 0.0035 360 TYR 23 CD2 -0.0006 0.0010 0.0017 361 TYR 23 HD2 -0.0009 0.0009 0.0012 362 TYR 23 CE1 0.0000 0.0011 0.0031 363 TYR 23 HE1 0.0004 0.0012 0.0036 364 TYR 23 CE2 -0.0005 0.0011 0.0017 365 TYR 23 HE2 -0.0005 0.0013 0.0012 366 TYR 23 CZ -0.0001 0.0012 0.0025 367 TYR 23 OH 0.0001 0.0014 0.0026 368 TYR 23 HH 0.0004 0.0016 0.0030 369 TYR 23 C -0.0001 0.0012 0.0023 370 TYR 23 O -0.0006 0.0010 0.0018 371 SER 24 N 0.0042 0.0017 -0.0028 372 SER 24 H 0.0035 0.0024 -0.0033 373 SER 24 CA 0.0042 0.0011 -0.0016 374 SER 24 HA 0.0042 0.0008 -0.0009 375 SER 24 CB 0.0031 0.0017 -0.0011 376 SER 24 HB1 0.0031 0.0013 -0.0002 377 SER 24 HB2 0.0024 0.0023 -0.0013 378 SER 24 OG 0.0031 0.0020 -0.0018 379 SER 24 HG 0.0026 0.0026 -0.0024 380 SER 24 C 0.0052 0.0005 -0.0018 381 SER 24 O 0.0054 0.0008 -0.0028 382 LEU 25 N 0.0076 -0.0021 -0.0031 383 LEU 25 H 0.0074 -0.0023 -0.0027 384 LEU 25 CA 0.0078 -0.0032 -0.0032 385 LEU 25 HA 0.0083 -0.0037 -0.0040 386 LEU 25 CB 0.0073 -0.0041 -0.0021 387 LEU 25 HB1 0.0074 -0.0043 -0.0022 388 LEU 25 HB2 0.0068 -0.0036 -0.0013 389 LEU 25 CG 0.0075 -0.0054 -0.0019 390 LEU 25 HG 0.0073 -0.0052 -0.0017 391 LEU 25 CD1 0.0082 -0.0062 -0.0029 392 LEU 25 1HD1 0.0083 -0.0065 -0.0031 393 LEU 25 2HD1 0.0082 -0.0071 -0.0027 394 LEU 25 3HD1 0.0085 -0.0058 -0.0037 395 LEU 25 CD2 0.0070 -0.0062 -0.0009 396 LEU 25 1HD2 0.0072 -0.0065 -0.0011 397 LEU 25 2HD2 0.0065 -0.0057 -0.0001 398 LEU 25 3HD2 0.0071 -0.0071 -0.0007 399 LEU 25 C 0.0076 -0.0030 -0.0030 400 LEU 25 O 0.0080 -0.0035 -0.0035 401 GLY 26 N 0.0061 0.0007 -0.0041 402 GLY 26 H 0.0055 0.0006 -0.0038 403 GLY 26 CA 0.0058 0.0014 -0.0044 404 GLY 26 HA1 0.0060 0.0009 -0.0042 405 GLY 26 HA2 0.0049 0.0017 -0.0042 406 GLY 26 C 0.0062 0.0023 -0.0053 407 GLY 26 O 0.0063 0.0028 -0.0057 408 ASN 27 N 0.0049 0.0022 -0.0035 409 ASN 27 H 0.0049 0.0018 -0.0033 410 ASN 27 CA 0.0053 0.0025 -0.0032 411 ASN 27 HA 0.0051 0.0027 -0.0035 412 ASN 27 CB 0.0055 0.0020 -0.0028 413 ASN 27 HB1 0.0056 0.0018 -0.0026 414 ASN 27 HB2 0.0058 0.0022 -0.0026 415 ASN 27 CG 0.0052 0.0016 -0.0030 416 ASN 27 OD1 0.0051 0.0018 -0.0031 417 ASN 27 ND2 0.0050 0.0010 -0.0030 418 ASN 27 1HD2 0.0050 0.0009 -0.0030 419 ASN 27 2HD2 0.0049 0.0007 -0.0030 420 ASN 27 C 0.0056 0.0030 -0.0030 421 ASN 27 O 0.0057 0.0035 -0.0031 422 TRP 28 N 0.0063 -0.0042 -0.0029 423 TRP 28 H 0.0064 -0.0037 -0.0028 424 TRP 28 CA 0.0062 -0.0032 -0.0024 425 TRP 28 HA 0.0055 -0.0039 -0.0021 426 TRP 28 CB 0.0059 -0.0016 -0.0014 427 TRP 28 HB1 0.0066 -0.0011 -0.0018 428 TRP 28 HB2 0.0059 -0.0008 -0.0010 429 TRP 28 CG 0.0046 -0.0020 -0.0005 430 TRP 28 CD1 0.0045 -0.0022 -0.0005 431 TRP 28 HD1 0.0054 -0.0021 -0.0012 432 TRP 28 CD2 0.0032 -0.0024 0.0005 433 TRP 28 NE1 0.0032 -0.0026 0.0005 434 TRP 28 HE1 0.0029 -0.0025 0.0007 435 TRP 28 CE2 0.0023 -0.0027 0.0012 436 TRP 28 CE3 0.0027 -0.0025 0.0010 437 TRP 28 HE3 0.0033 -0.0026 0.0004 438 TRP 28 CZ2 0.0009 -0.0028 0.0023 439 TRP 28 HZ2 0.0002 -0.0029 0.0029 440 TRP 28 CZ3 0.0013 -0.0027 0.0020 441 TRP 28 HZ3 0.0010 -0.0029 0.0022 442 TRP 28 CH2 0.0005 -0.0026 0.0028 443 TRP 28 HH2 -0.0006 -0.0026 0.0037 444 TRP 28 C 0.0075 -0.0026 -0.0033 445 TRP 28 O 0.0075 -0.0026 -0.0032 446 VAL 29 N 0.0089 -0.0012 -0.0053 447 VAL 29 H 0.0084 -0.0017 -0.0051 448 VAL 29 CA 0.0080 -0.0010 -0.0052 449 VAL 29 HA 0.0087 -0.0011 -0.0052 450 VAL 29 CB 0.0068 -0.0018 -0.0048 451 VAL 29 HB 0.0061 -0.0015 -0.0048 452 VAL 29 CG1 0.0058 -0.0016 -0.0048 453 VAL 29 1HG1 0.0050 -0.0023 -0.0045 454 VAL 29 2HG1 0.0054 -0.0006 -0.0049 455 VAL 29 3HG1 0.0064 -0.0018 -0.0048 456 VAL 29 CG2 0.0071 -0.0033 -0.0046 457 VAL 29 1HG2 0.0078 -0.0036 -0.0046 458 VAL 29 2HG2 0.0062 -0.0039 -0.0043 459 VAL 29 3HG2 0.0075 -0.0037 -0.0046 460 VAL 29 C 0.0076 0.0006 -0.0055 461 VAL 29 O 0.0075 0.0011 -0.0056 462 CYS 30 N 0.0049 0.0043 -0.0046 463 CYS 30 H 0.0052 0.0031 -0.0046 464 CYS 30 CA 0.0047 0.0063 -0.0044 465 CYS 30 HA 0.0033 0.0071 -0.0045 466 CYS 30 CB 0.0044 0.0063 -0.0044 467 CYS 30 HB1 0.0031 0.0055 -0.0047 468 CYS 30 HB2 0.0056 0.0054 -0.0043 469 CYS 30 SG 0.0040 0.0086 -0.0043 470 CYS 30 C 0.0064 0.0076 -0.0040 471 CYS 30 O 0.0061 0.0092 -0.0039 472 ALA 31 N 0.0055 0.0044 -0.0008 473 ALA 31 H 0.0055 0.0038 -0.0007 474 ALA 31 CA 0.0059 0.0050 0.0001 475 ALA 31 HA 0.0059 0.0050 0.0001 476 ALA 31 CB 0.0061 0.0045 0.0011 477 ALA 31 HB1 0.0061 0.0039 0.0013 478 ALA 31 HB2 0.0061 0.0041 0.0011 479 ALA 31 HB3 0.0063 0.0049 0.0016 480 ALA 31 C 0.0060 0.0061 0.0001 481 ALA 31 O 0.0061 0.0068 0.0004 482 ALA 32 N 0.0092 0.0032 -0.0031 483 ALA 32 H 0.0089 0.0020 -0.0034 484 ALA 32 CA 0.0086 0.0034 -0.0032 485 ALA 32 HA 0.0098 0.0036 -0.0029 486 ALA 32 CB 0.0079 0.0016 -0.0037 487 ALA 32 HB1 0.0089 0.0005 -0.0036 488 ALA 32 HB2 0.0066 0.0013 -0.0040 489 ALA 32 HB3 0.0077 0.0016 -0.0037 490 ALA 32 C 0.0072 0.0050 -0.0033 491 ALA 32 O 0.0073 0.0060 -0.0031 492 LYS 33 N 0.0080 0.0090 -0.0025 493 LYS 33 H 0.0081 0.0074 -0.0030 494 LYS 33 CA 0.0061 0.0113 -0.0025 495 LYS 33 HA 0.0051 0.0118 -0.0028 496 LYS 33 CB 0.0043 0.0106 -0.0035 497 LYS 33 HB1 0.0035 0.0087 -0.0044 498 LYS 33 HB2 0.0056 0.0099 -0.0032 499 LYS 33 CG 0.0021 0.0126 -0.0037 500 LYS 33 HG1 0.0014 0.0117 -0.0044 501 LYS 33 HG2 0.0031 0.0142 -0.0028 502 LYS 33 CD 0.0000 0.0138 -0.0042 503 LYS 33 HD1 0.0011 0.0149 -0.0034 504 LYS 33 HD2 -0.0007 0.0120 -0.0051 505 LYS 33 CE -0.0022 0.0159 -0.0044 506 LYS 33 HE1 -0.0030 0.0146 -0.0052 507 LYS 33 HE2 -0.0016 0.0176 -0.0036 508 LYS 33 NZ -0.0041 0.0171 -0.0048 509 LYS 33 HZ1 -0.0036 0.0187 -0.0041 510 LYS 33 HZ2 -0.0051 0.0158 -0.0057 511 LYS 33 HZ3 -0.0057 0.0181 -0.0051 512 LYS 33 C 0.0075 0.0139 -0.0011 513 LYS 33 O 0.0071 0.0159 -0.0006 514 PHE 34 N 0.0044 0.0172 -0.0009 515 PHE 34 H 0.0049 0.0154 -0.0013 516 PHE 34 CA 0.0048 0.0195 0.0001 517 PHE 34 HA 0.0031 0.0208 -0.0003 518 PHE 34 CB 0.0054 0.0187 0.0002 519 PHE 34 HB1 0.0069 0.0171 0.0004 520 PHE 34 HB2 0.0059 0.0202 0.0010 521 PHE 34 CG 0.0034 0.0179 -0.0012 522 PHE 34 CD1 0.0013 0.0197 -0.0017 523 PHE 34 HD1 0.0011 0.0215 -0.0012 524 PHE 34 CD2 0.0033 0.0154 -0.0022 525 PHE 34 HD2 0.0046 0.0137 -0.0020 526 PHE 34 CE1 -0.0008 0.0191 -0.0031 527 PHE 34 HE1 -0.0025 0.0204 -0.0035 528 PHE 34 CE2 0.0012 0.0148 -0.0035 529 PHE 34 HE2 0.0014 0.0129 -0.0041 530 PHE 34 CZ -0.0008 0.0166 -0.0040 531 PHE 34 HZ -0.0023 0.0162 -0.0050 532 PHE 34 C 0.0068 0.0209 0.0017 533 PHE 34 O 0.0072 0.0228 0.0027 534 GLU 35 N 0.0061 0.0126 0.0045 535 GLU 35 H 0.0061 0.0126 0.0048 536 GLU 35 CA 0.0063 0.0128 0.0047 537 GLU 35 HA 0.0062 0.0127 0.0043 538 GLU 35 CB 0.0061 0.0127 0.0053 539 GLU 35 HB1 0.0063 0.0129 0.0057 540 GLU 35 HB2 0.0062 0.0128 0.0052 541 GLU 35 CG 0.0055 0.0123 0.0055 542 GLU 35 HG1 0.0054 0.0122 0.0053 543 GLU 35 HG2 0.0055 0.0123 0.0060 544 GLU 35 CD 0.0052 0.0120 0.0052 545 GLU 35 OE1 0.0054 0.0121 0.0048 546 GLU 35 OE2 0.0048 0.0117 0.0054 547 GLU 35 C 0.0069 0.0132 0.0046 548 GLU 35 O 0.0072 0.0134 0.0042 549 SER 36 N 0.0079 0.0096 -0.0011 550 SER 36 H 0.0085 0.0087 -0.0013 551 SER 36 CA 0.0073 0.0098 -0.0012 552 SER 36 HA 0.0076 0.0106 -0.0007 553 SER 36 CB 0.0075 0.0087 -0.0017 554 SER 36 HB1 0.0072 0.0090 -0.0016 555 SER 36 HB2 0.0086 0.0083 -0.0015 556 SER 36 OG 0.0068 0.0076 -0.0025 557 SER 36 HG 0.0074 0.0072 -0.0026 558 SER 36 C 0.0057 0.0101 -0.0017 559 SER 36 O 0.0050 0.0109 -0.0016 560 ASN 37 N 0.0080 0.0150 -0.0008 561 ASN 37 H 0.0091 0.0133 -0.0005 562 ASN 37 CA 0.0045 0.0149 -0.0027 563 ASN 37 HA 0.0041 0.0135 -0.0033 564 ASN 37 CB 0.0028 0.0189 -0.0029 565 ASN 37 HB1 0.0039 0.0207 -0.0019 566 ASN 37 HB2 0.0031 0.0204 -0.0024 567 ASN 37 CG -0.0007 0.0189 -0.0049 568 ASN 37 OD1 -0.0016 0.0172 -0.0058 569 ASN 37 ND2 -0.0029 0.0208 -0.0057 570 ASN 37 1HD2 -0.0024 0.0213 -0.0053 571 ASN 37 2HD2 -0.0052 0.0213 -0.0069 572 ASN 37 C 0.0035 0.0126 -0.0038 573 ASN 37 O 0.0010 0.0134 -0.0051 574 PHE 38 N 0.0059 0.0068 -0.0044 575 PHE 38 H 0.0072 0.0068 -0.0040 576 PHE 38 CA 0.0054 0.0050 -0.0051 577 PHE 38 HA 0.0067 0.0040 -0.0052 578 PHE 38 CB 0.0035 0.0040 -0.0060 579 PHE 38 HB1 0.0021 0.0049 -0.0060 580 PHE 38 HB2 0.0032 0.0027 -0.0065 581 PHE 38 CG 0.0034 0.0036 -0.0062 582 PHE 38 CD1 0.0050 0.0023 -0.0062 583 PHE 38 HD1 0.0062 0.0017 -0.0062 584 PHE 38 CD2 0.0018 0.0042 -0.0063 585 PHE 38 HD2 0.0006 0.0052 -0.0062 586 PHE 38 CE1 0.0049 0.0016 -0.0065 587 PHE 38 HE1 0.0063 0.0007 -0.0065 588 PHE 38 CE2 0.0018 0.0036 -0.0065 589 PHE 38 HE2 0.0006 0.0040 -0.0067 590 PHE 38 CZ 0.0034 0.0023 -0.0066 591 PHE 38 HZ 0.0035 0.0018 -0.0068 592 PHE 38 C 0.0056 0.0053 -0.0050 593 PHE 38 O 0.0044 0.0044 -0.0056 594 ASN 39 N 0.0056 0.0085 -0.0062 595 ASN 39 H 0.0065 0.0083 -0.0054 596 ASN 39 CA 0.0057 0.0100 -0.0057 597 ASN 39 HA 0.0049 0.0100 -0.0065 598 ASN 39 CB 0.0052 0.0122 -0.0055 599 ASN 39 HB1 0.0042 0.0120 -0.0066 600 ASN 39 HB2 0.0060 0.0121 -0.0048 601 ASN 39 CG 0.0051 0.0140 -0.0051 602 ASN 39 OD1 0.0055 0.0138 -0.0047 603 ASN 39 ND2 0.0042 0.0156 -0.0054 604 ASN 39 1HD2 0.0036 0.0157 -0.0060 605 ASN 39 2HD2 0.0041 0.0169 -0.0051 606 ASN 39 C 0.0072 0.0096 -0.0043 607 ASN 39 O 0.0084 0.0092 -0.0033 608 THR 40 N 0.0049 0.0077 -0.0063 609 THR 40 H 0.0044 0.0079 -0.0073 610 THR 40 CA 0.0054 0.0076 -0.0051 611 THR 40 HA 0.0060 0.0065 -0.0047 612 THR 40 CB 0.0051 0.0077 -0.0058 613 THR 40 HB 0.0055 0.0076 -0.0048 614 THR 40 OG1 0.0043 0.0092 -0.0064 615 THR 40 HG1 0.0044 0.0097 -0.0059 616 THR 40 CG2 0.0051 0.0064 -0.0070 617 THR 40 1HG2 0.0052 0.0063 -0.0067 618 THR 40 2HG2 0.0055 0.0052 -0.0070 619 THR 40 3HG2 0.0045 0.0067 -0.0082 620 THR 40 C 0.0054 0.0090 -0.0039 621 THR 40 O 0.0059 0.0090 -0.0026 622 GLN 41 N 0.0042 0.0113 -0.0059 623 GLN 41 H 0.0045 0.0110 -0.0066 624 GLN 41 CA 0.0036 0.0122 -0.0049 625 GLN 41 HA 0.0034 0.0124 -0.0040 626 GLN 41 CB 0.0031 0.0135 -0.0057 627 GLN 41 HB1 0.0034 0.0134 -0.0067 628 GLN 41 HB2 0.0028 0.0141 -0.0051 629 GLN 41 CG 0.0027 0.0145 -0.0061 630 GLN 41 HG1 0.0031 0.0140 -0.0066 631 GLN 41 HG2 0.0025 0.0153 -0.0069 632 GLN 41 CD 0.0022 0.0152 -0.0048 633 GLN 41 OE1 0.0018 0.0159 -0.0042 634 GLN 41 NE2 0.0022 0.0150 -0.0043 635 GLN 41 1HE2 0.0025 0.0145 -0.0047 636 GLN 41 2HE2 0.0017 0.0157 -0.0036 637 GLN 41 C 0.0038 0.0115 -0.0039 638 GLN 41 O 0.0033 0.0121 -0.0030 639 ALA 42 N 0.0039 0.0105 -0.0016 640 ALA 42 H 0.0046 0.0107 -0.0023 641 ALA 42 CA 0.0042 0.0091 -0.0004 642 ALA 42 HA 0.0040 0.0087 0.0001 643 ALA 42 CB 0.0059 0.0084 -0.0009 644 ALA 42 HB1 0.0060 0.0088 -0.0014 645 ALA 42 HB2 0.0063 0.0073 -0.0001 646 ALA 42 HB3 0.0066 0.0086 -0.0016 647 ALA 42 C 0.0033 0.0086 0.0006 648 ALA 42 O 0.0030 0.0090 0.0004 649 THR 43 N 0.0040 0.0038 0.0048 650 THR 43 H 0.0043 0.0026 0.0058 651 THR 43 CA 0.0025 0.0026 0.0061 652 THR 43 HA 0.0033 0.0034 0.0052 653 THR 43 CB -0.0013 0.0029 0.0063 654 THR 43 HB -0.0021 0.0017 0.0076 655 THR 43 OG1 -0.0025 0.0021 0.0073 656 THR 43 HG1 -0.0025 0.0033 0.0062 657 THR 43 CG2 -0.0028 0.0054 0.0043 658 THR 43 1HG2 -0.0030 0.0067 0.0031 659 THR 43 2HG2 -0.0052 0.0053 0.0047 660 THR 43 3HG2 -0.0015 0.0062 0.0033 661 THR 43 C 0.0039 0.0000 0.0082 662 THR 43 O 0.0050 -0.0011 0.0090 663 ASN 44 N 0.0039 -0.0041 0.0147 664 ASN 44 H 0.0032 -0.0013 0.0116 665 ASN 44 CA 0.0051 -0.0056 0.0172 666 ASN 44 HA 0.0052 -0.0090 0.0202 667 ASN 44 CB 0.0095 -0.0013 0.0189 668 ASN 44 HB1 0.0116 -0.0008 0.0209 669 ASN 44 HB2 0.0094 0.0021 0.0160 670 ASN 44 CG 0.0112 -0.0025 0.0218 671 ASN 44 OD1 0.0119 -0.0060 0.0254 672 ASN 44 ND2 0.0117 0.0004 0.0201 673 ASN 44 1HD2 0.0109 0.0030 0.0170 674 ASN 44 2HD2 0.0128 -0.0003 0.0219 675 ASN 44 C 0.0015 -0.0066 0.0139 676 ASN 44 O 0.0010 -0.0029 0.0105 677 ARG 45 N 0.0158 -0.0163 0.0201 678 ARG 45 H 0.0222 -0.0216 0.0228 679 ARG 45 CA 0.0075 -0.0195 0.0104 680 ARG 45 HA 0.0042 -0.0162 0.0094 681 ARG 45 CB 0.0109 -0.0321 0.0056 682 ARG 45 HB1 0.0169 -0.0364 0.0085 683 ARG 45 HB2 0.0142 -0.0341 0.0075 684 ARG 45 CG 0.0031 -0.0373 -0.0049 685 ARG 45 HG1 0.0064 -0.0462 -0.0074 686 ARG 45 HG2 -0.0020 -0.0348 -0.0080 687 ARG 45 CD -0.0018 -0.0341 -0.0074 688 ARG 45 HD1 -0.0095 -0.0320 -0.0133 689 ARG 45 HD2 -0.0005 -0.0270 -0.0018 690 ARG 45 NE 0.0025 -0.0433 -0.0092 691 ARG 45 HE 0.0078 -0.0424 -0.0037 692 ARG 45 CZ 0.0026 -0.0540 -0.0158 693 ARG 45 NH1 -0.0023 -0.0567 -0.0221 694 ARG 45 1HH1 -0.0062 -0.0516 -0.0225 695 ARG 45 2HH1 -0.0033 -0.0640 -0.0276 696 ARG 45 NH2 0.0082 -0.0617 -0.0154 697 ARG 45 1HH2 0.0123 -0.0597 -0.0104 698 ARG 45 2HH2 0.0085 -0.0696 -0.0201 699 ARG 45 C 0.0014 -0.0157 0.0071 700 ARG 45 O 0.0053 -0.0177 0.0094 701 ASN 46 N 0.0029 -0.0107 0.0014 702 ASN 46 H 0.0002 -0.0114 -0.0019 703 ASN 46 CA 0.0002 -0.0078 -0.0012 704 ASN 46 HA 0.0036 -0.0075 0.0029 705 ASN 46 CB -0.0035 0.0021 -0.0034 706 ASN 46 HB1 -0.0077 0.0016 -0.0085 707 ASN 46 HB2 -0.0059 0.0057 -0.0054 708 ASN 46 CG 0.0004 0.0086 0.0026 709 ASN 46 OD1 -0.0003 0.0101 0.0020 710 ASN 46 ND2 0.0046 0.0128 0.0085 711 ASN 46 1HD2 0.0048 0.0136 0.0088 712 ASN 46 2HD2 0.0078 0.0156 0.0128 713 ASN 46 C -0.0042 -0.0151 -0.0079 714 ASN 46 O -0.0064 -0.0197 -0.0114 715 THR 47 N 0.0071 -0.0388 0.0029 716 THR 47 H 0.0203 -0.0241 0.0162 717 THR 47 CA -0.0103 -0.0656 -0.0139 718 THR 47 HA -0.0108 -0.0926 -0.0122 719 THR 47 CB 0.0008 -0.0713 -0.0012 720 THR 47 HB -0.0134 -0.0905 -0.0152 721 THR 47 OG1 0.0041 -0.0366 -0.0006 722 THR 47 HG1 0.0132 -0.0188 0.0078 723 THR 47 CG2 0.0269 -0.0870 0.0288 724 THR 47 1HG2 0.0272 -0.1136 0.0314 725 THR 47 2HG2 0.0408 -0.0660 0.0422 726 THR 47 3HG2 0.0367 -0.0925 0.0400 727 THR 47 C -0.0393 -0.0515 -0.0470 728 THR 47 O -0.0568 -0.0739 -0.0644 729 ASP 48 N -0.0222 -0.0063 -0.0405 730 ASP 48 H -0.0205 0.0009 -0.0317 731 ASP 48 CA -0.0318 -0.0024 -0.0501 732 ASP 48 HA -0.0353 -0.0072 -0.0592 733 ASP 48 CB -0.0388 0.0131 -0.0457 734 ASP 48 HB1 -0.0469 0.0154 -0.0546 735 ASP 48 HB2 -0.0395 0.0163 -0.0438 736 ASP 48 CG -0.0356 0.0218 -0.0335 737 ASP 48 OD1 -0.0265 0.0156 -0.0267 738 ASP 48 OD2 -0.0407 0.0340 -0.0295 739 ASP 48 C -0.0295 -0.0062 -0.0505 740 ASP 48 O -0.0367 -0.0017 -0.0562 741 GLY 49 N -0.0280 -0.0105 -0.0281 742 GLY 49 H -0.0239 -0.0127 -0.0305 743 GLY 49 CA -0.0226 -0.0082 -0.0241 744 GLY 49 HA1 -0.0171 -0.0120 -0.0285 745 GLY 49 HA2 -0.0280 -0.0078 -0.0243 746 GLY 49 C -0.0187 -0.0022 -0.0153 747 GLY 49 O -0.0139 0.0004 -0.0112 748 SER 50 N -0.0169 0.0022 -0.0131 749 SER 50 H -0.0180 0.0027 -0.0139 750 SER 50 CA -0.0153 0.0061 -0.0085 751 SER 50 HA -0.0156 0.0051 -0.0096 752 SER 50 CB -0.0187 0.0118 -0.0077 753 SER 50 HB1 -0.0186 0.0150 -0.0053 754 SER 50 HB2 -0.0222 0.0123 -0.0110 755 SER 50 OG -0.0187 0.0134 -0.0066 756 SER 50 HG -0.0200 0.0115 -0.0093 757 SER 50 C -0.0100 0.0046 -0.0042 758 SER 50 O -0.0076 0.0007 -0.0047 759 THR 51 N -0.0094 0.0052 0.0007 760 THR 51 H -0.0107 0.0075 0.0005 761 THR 51 CA -0.0061 0.0053 0.0027 762 THR 51 HA -0.0050 0.0038 0.0030 763 THR 51 CB -0.0049 0.0034 0.0030 764 THR 51 HB -0.0064 0.0046 0.0024 765 THR 51 OG1 -0.0053 -0.0001 0.0019 766 THR 51 HG1 -0.0055 -0.0010 0.0016 767 THR 51 CG2 -0.0016 0.0042 0.0051 768 THR 51 1HG2 -0.0009 0.0028 0.0052 769 THR 51 2HG2 -0.0020 0.0070 0.0055 770 THR 51 3HG2 0.0001 0.0034 0.0059 771 THR 51 C -0.0053 0.0090 0.0040 772 THR 51 O -0.0068 0.0116 0.0038 773 ASP 52 N -0.0026 0.0058 0.0050 774 ASP 52 H -0.0021 0.0044 0.0064 775 ASP 52 CA -0.0013 0.0079 0.0052 776 ASP 52 HA -0.0018 0.0095 0.0038 777 ASP 52 CB 0.0007 0.0087 0.0070 778 ASP 52 HB1 0.0013 0.0076 0.0084 779 ASP 52 HB2 0.0016 0.0106 0.0069 780 ASP 52 CG 0.0010 0.0087 0.0074 781 ASP 52 OD1 0.0003 0.0098 0.0060 782 ASP 52 OD2 0.0019 0.0076 0.0091 783 ASP 52 C -0.0013 0.0075 0.0056 784 ASP 52 O -0.0007 0.0058 0.0072 785 TYR 53 N -0.0046 0.0070 0.0023 786 TYR 53 H -0.0041 0.0067 0.0022 787 TYR 53 CA -0.0053 0.0078 0.0013 788 TYR 53 HA -0.0057 0.0080 0.0015 789 TYR 53 CB -0.0065 0.0084 0.0013 790 TYR 53 HB1 -0.0061 0.0083 0.0011 791 TYR 53 HB2 -0.0068 0.0091 0.0004 792 TYR 53 CG -0.0076 0.0085 0.0024 793 TYR 53 CD1 -0.0088 0.0091 0.0024 794 TYR 53 HD1 -0.0089 0.0096 0.0015 795 TYR 53 CD2 -0.0075 0.0079 0.0036 796 TYR 53 HD2 -0.0067 0.0075 0.0034 797 TYR 53 CE1 -0.0098 0.0091 0.0035 798 TYR 53 HE1 -0.0107 0.0096 0.0034 799 TYR 53 CE2 -0.0085 0.0079 0.0046 800 TYR 53 HE2 -0.0085 0.0074 0.0056 801 TYR 53 CZ -0.0097 0.0085 0.0046 802 TYR 53 OH -0.0107 0.0085 0.0056 803 TYR 53 HH -0.0106 0.0083 0.0061 804 TYR 53 C -0.0043 0.0080 -0.0000 805 TYR 53 O -0.0035 0.0076 -0.0003 806 GLY 54 N 0.0001 0.0045 0.0006 807 GLY 54 H -0.0008 0.0051 0.0008 808 GLY 54 CA 0.0006 0.0044 -0.0010 809 GLY 54 HA1 -0.0002 0.0051 -0.0017 810 GLY 54 HA2 0.0012 0.0041 -0.0010 811 GLY 54 C 0.0015 0.0039 -0.0016 812 GLY 54 O 0.0020 0.0034 -0.0008 813 ILE 55 N 0.0067 0.0015 -0.0021 814 ILE 55 H 0.0066 0.0014 -0.0024 815 ILE 55 CA 0.0066 0.0011 -0.0028 816 ILE 55 HA 0.0060 0.0017 -0.0028 817 ILE 55 CB 0.0063 0.0005 -0.0038 818 ILE 55 HB 0.0056 0.0010 -0.0040 819 ILE 55 CG1 0.0060 0.0002 -0.0046 820 ILE 55 1HG1 0.0066 -0.0005 -0.0047 821 ILE 55 2HG1 0.0057 0.0007 -0.0043 822 ILE 55 CG2 0.0068 -0.0002 -0.0041 823 ILE 55 1HG2 0.0065 0.0001 -0.0041 824 ILE 55 2HG2 0.0076 -0.0004 -0.0036 825 ILE 55 3HG2 0.0068 -0.0008 -0.0048 826 ILE 55 CD 0.0052 0.0000 -0.0057 827 ILE 55 HD1 0.0045 0.0006 -0.0057 828 ILE 55 HD2 0.0055 -0.0005 -0.0061 829 ILE 55 HD3 0.0051 -0.0003 -0.0062 830 ILE 55 C 0.0074 0.0006 -0.0025 831 ILE 55 O 0.0073 0.0005 -0.0028 832 LEU 56 N 0.0037 0.0003 -0.0008 833 LEU 56 H 0.0041 0.0002 -0.0004 834 LEU 56 CA 0.0040 -0.0002 -0.0006 835 LEU 56 HA 0.0035 -0.0002 -0.0011 836 LEU 56 CB 0.0043 -0.0013 -0.0006 837 LEU 56 HB1 0.0049 -0.0014 -0.0000 838 LEU 56 HB2 0.0046 -0.0016 -0.0004 839 LEU 56 CG 0.0038 -0.0022 -0.0013 840 LEU 56 HG 0.0036 -0.0020 -0.0015 841 LEU 56 CD1 0.0044 -0.0033 -0.0010 842 LEU 56 1HD1 0.0041 -0.0040 -0.0015 843 LEU 56 2HD1 0.0047 -0.0033 -0.0006 844 LEU 56 3HD1 0.0048 -0.0034 -0.0005 845 LEU 56 CD2 0.0033 -0.0025 -0.0019 846 LEU 56 1HD2 0.0030 -0.0031 -0.0024 847 LEU 56 2HD2 0.0037 -0.0029 -0.0016 848 LEU 56 3HD2 0.0030 -0.0018 -0.0021 849 LEU 56 C 0.0045 0.0006 0.0001 850 LEU 56 O 0.0049 0.0001 0.0004 851 GLN 57 N 0.0037 0.0065 0.0020 852 GLN 57 H 0.0038 0.0068 0.0019 853 GLN 57 CA 0.0031 0.0058 0.0023 854 GLN 57 HA 0.0028 0.0058 0.0024 855 GLN 57 CB 0.0037 0.0051 0.0025 856 GLN 57 HB1 0.0043 0.0051 0.0024 857 GLN 57 HB2 0.0034 0.0045 0.0027 858 GLN 57 CG 0.0042 0.0050 0.0025 859 GLN 57 HG1 0.0045 0.0055 0.0022 860 GLN 57 HG2 0.0046 0.0045 0.0026 861 GLN 57 CD 0.0037 0.0048 0.0026 862 GLN 57 OE1 0.0036 0.0041 0.0028 863 GLN 57 NE2 0.0033 0.0054 0.0024 864 GLN 57 1HE2 0.0034 0.0060 0.0022 865 GLN 57 2HE2 0.0029 0.0053 0.0025 866 GLN 57 C 0.0025 0.0058 0.0024 867 GLN 57 O 0.0024 0.0052 0.0026 868 ILE 58 N -0.0052 -0.0009 -0.0004 869 ILE 58 H -0.0052 -0.0005 -0.0006 870 ILE 58 CA -0.0051 -0.0011 0.0003 871 ILE 58 HA -0.0051 -0.0017 0.0004 872 ILE 58 CB -0.0051 -0.0009 0.0005 873 ILE 58 HB -0.0052 -0.0003 0.0004 874 ILE 58 CG1 -0.0051 -0.0012 -0.0000 875 ILE 58 1HG1 -0.0051 -0.0013 0.0002 876 ILE 58 2HG1 -0.0051 -0.0018 -0.0002 877 ILE 58 CG2 -0.0051 -0.0011 0.0013 878 ILE 58 1HG2 -0.0051 -0.0009 0.0014 879 ILE 58 2HG2 -0.0051 -0.0008 0.0017 880 ILE 58 3HG2 -0.0050 -0.0017 0.0015 881 ILE 58 CD -0.0052 -0.0008 -0.0007 882 ILE 58 HD1 -0.0052 -0.0003 -0.0006 883 ILE 58 HD2 -0.0052 -0.0011 -0.0011 884 ILE 58 HD3 -0.0052 -0.0006 -0.0010 885 ILE 58 C -0.0051 -0.0007 0.0009 886 ILE 58 O -0.0052 -0.0000 0.0008 887 ASN 59 N -0.0141 0.0083 0.0016 888 ASN 59 H -0.0147 0.0086 0.0017 889 ASN 59 CA -0.0127 0.0093 0.0004 890 ASN 59 HA -0.0126 0.0094 0.0003 891 ASN 59 CB -0.0133 0.0111 -0.0004 892 ASN 59 HB1 -0.0148 0.0117 -0.0001 893 ASN 59 HB2 -0.0132 0.0111 -0.0004 894 ASN 59 CG -0.0120 0.0123 -0.0016 895 ASN 59 OD1 -0.0106 0.0124 -0.0023 896 ASN 59 ND2 -0.0126 0.0133 -0.0019 897 ASN 59 1HD2 -0.0136 0.0130 -0.0013 898 ASN 59 2HD2 -0.0117 0.0138 -0.0026 899 ASN 59 C -0.0109 0.0084 0.0001 900 ASN 59 O -0.0105 0.0077 0.0003 901 SER 60 N -0.0120 0.0101 0.0016 902 SER 60 H -0.0124 0.0108 0.0014 903 SER 60 CA -0.0113 0.0102 0.0019 904 SER 60 HA -0.0112 0.0095 0.0019 905 SER 60 CB -0.0114 0.0111 0.0019 906 SER 60 HB1 -0.0109 0.0112 0.0022 907 SER 60 HB2 -0.0120 0.0108 0.0016 908 SER 60 OG -0.0115 0.0121 0.0019 909 SER 60 HG -0.0110 0.0124 0.0022 910 SER 60 C -0.0103 0.0103 0.0025 911 SER 60 O -0.0096 0.0103 0.0028 912 ARG 61 N -0.0104 0.0096 0.0043 913 ARG 61 H -0.0170 0.0122 0.0025 914 ARG 61 CA -0.0090 0.0127 -0.0007 915 ARG 61 HA -0.0004 0.0131 -0.0040 916 ARG 61 CB -0.0176 0.0194 -0.0080 917 ARG 61 HB1 -0.0167 0.0216 -0.0116 918 ARG 61 HB2 -0.0260 0.0185 -0.0041 919 ARG 61 CG -0.0157 0.0245 -0.0161 920 ARG 61 HG1 -0.0158 0.0228 -0.0136 921 ARG 61 HG2 -0.0078 0.0260 -0.0207 922 ARG 61 CD -0.0238 0.0310 -0.0231 923 ARG 61 HD1 -0.0228 0.0337 -0.0275 924 ARG 61 HD2 -0.0324 0.0303 -0.0195 925 ARG 61 NE -0.0232 0.0351 -0.0295 926 ARG 61 HE -0.0179 0.0328 -0.0276 927 ARG 61 CZ -0.0284 0.0417 -0.0375 928 ARG 61 NH1 -0.0331 0.0456 -0.0419 929 ARG 61 1HH1 -0.0319 0.0443 -0.0404 930 ARG 61 2HH1 -0.0365 0.0505 -0.0480 931 ARG 61 NH2 -0.0279 0.0443 -0.0415 932 ARG 61 1HH2 -0.0239 0.0414 -0.0385 933 ARG 61 2HH2 -0.0300 0.0491 -0.0480 934 ARG 61 C -0.0130 0.0084 0.0068 935 ARG 61 O -0.0088 0.0075 0.0068 936 TRP 62 N -0.0070 0.0055 -0.0019 937 TRP 62 H -0.0100 0.0064 -0.0038 938 TRP 62 CA -0.0091 0.0003 0.0024 939 TRP 62 HA -0.0066 0.0003 0.0032 940 TRP 62 CB -0.0181 -0.0005 0.0004 941 TRP 62 HB1 -0.0214 -0.0014 0.0002 942 TRP 62 HB2 -0.0205 -0.0043 0.0033 943 TRP 62 CG -0.0193 0.0046 -0.0050 944 TRP 62 CD1 -0.0239 0.0083 -0.0099 945 TRP 62 HD1 -0.0272 0.0075 -0.0102 946 TRP 62 CD2 -0.0170 0.0065 -0.0061 947 TRP 62 NE1 -0.0237 0.0123 -0.0138 948 TRP 62 HE1 -0.0267 0.0155 -0.0179 949 TRP 62 CE2 -0.0195 0.0118 -0.0120 950 TRP 62 CE3 -0.0127 0.0045 -0.0028 951 TRP 62 HE3 -0.0111 0.0004 0.0017 952 TRP 62 CZ2 -0.0173 0.0152 -0.0146 953 TRP 62 HZ2 -0.0199 0.0187 -0.0188 954 TRP 62 CZ3 -0.0103 0.0080 -0.0055 955 TRP 62 HZ3 -0.0069 0.0070 -0.0034 956 TRP 62 CH2 -0.0123 0.0135 -0.0114 957 TRP 62 HH2 -0.0106 0.0156 -0.0129 958 TRP 62 C -0.0076 -0.0045 0.0075 959 TRP 62 O -0.0034 -0.0076 0.0118 960 TRP 63 N -0.0059 -0.0025 -0.0017 961 TRP 63 H -0.0077 -0.0009 -0.0028 962 TRP 63 CA -0.0070 -0.0058 -0.0010 963 TRP 63 HA -0.0062 -0.0079 -0.0000 964 TRP 63 CB -0.0107 -0.0060 -0.0020 965 TRP 63 HB1 -0.0113 -0.0038 -0.0029 966 TRP 63 HB2 -0.0121 -0.0081 -0.0017 967 TRP 63 CG -0.0124 -0.0056 -0.0026 968 TRP 63 CD1 -0.0147 -0.0035 -0.0040 969 TRP 63 HD1 -0.0153 -0.0016 -0.0049 970 TRP 63 CD2 -0.0126 -0.0077 -0.0020 971 TRP 63 NE1 -0.0161 -0.0038 -0.0043 972 TRP 63 HE1 -0.0176 -0.0021 -0.0054 973 TRP 63 CE2 -0.0150 -0.0064 -0.0031 974 TRP 63 CE3 -0.0114 -0.0106 -0.0006 975 TRP 63 HE3 -0.0098 -0.0120 0.0003 976 TRP 63 CZ2 -0.0159 -0.0077 -0.0029 977 TRP 63 HZ2 -0.0174 -0.0063 -0.0038 978 TRP 63 CZ3 -0.0123 -0.0120 -0.0004 979 TRP 63 HZ3 -0.0114 -0.0144 0.0007 980 TRP 63 CH2 -0.0144 -0.0107 -0.0015 981 TRP 63 HH2 -0.0148 -0.0115 -0.0013 982 TRP 63 C -0.0056 -0.0064 -0.0003 983 TRP 63 O -0.0047 -0.0091 0.0008 984 CYS 64 N -0.0062 -0.0013 0.0037 985 CYS 64 H -0.0067 0.0005 0.0034 986 CYS 64 CA -0.0058 -0.0007 0.0040 987 CYS 64 HA -0.0048 -0.0028 0.0045 988 CYS 64 CB -0.0083 -0.0007 0.0024 989 CYS 64 HB1 -0.0077 -0.0002 0.0028 990 CYS 64 HB2 -0.0092 -0.0030 0.0018 991 CYS 64 SG -0.0108 0.0022 0.0010 992 CYS 64 C -0.0039 0.0018 0.0052 993 CYS 64 O -0.0037 0.0039 0.0054 994 ASN 65 N -0.0043 0.0008 0.0078 995 ASN 65 H -0.0048 -0.0006 0.0057 996 ASN 65 CA -0.0045 0.0047 0.0111 997 ASN 65 HA -0.0030 0.0048 0.0135 998 ASN 65 CB -0.0035 0.0048 0.0127 999 ASN 65 HB1 -0.0010 0.0025 0.0144 1000 ASN 65 HB2 -0.0045 0.0040 0.0104 1001 ASN 65 CG -0.0041 0.0092 0.0159 1002 ASN 65 OD1 -0.0031 0.0107 0.0187 1003 ASN 65 ND2 -0.0053 0.0110 0.0157 1004 ASN 65 1HD2 -0.0058 0.0098 0.0138 1005 ASN 65 2HD2 -0.0061 0.0141 0.0173 1006 ASN 65 C -0.0078 0.0084 0.0094 1007 ASN 65 O -0.0099 0.0087 0.0065 1008 ASP 66 N -0.0117 0.0122 0.0077 1009 ASP 66 H -0.0115 0.0117 0.0088 1010 ASP 66 CA -0.0122 0.0143 0.0066 1011 ASP 66 HA -0.0125 0.0147 0.0055 1012 ASP 66 CB -0.0123 0.0138 0.0054 1013 ASP 66 HB1 -0.0127 0.0151 0.0042 1014 ASP 66 HB2 -0.0122 0.0123 0.0045 1015 ASP 66 CG -0.0122 0.0139 0.0065 1016 ASP 66 OD1 -0.0118 0.0133 0.0084 1017 ASP 66 OD2 -0.0124 0.0143 0.0053 1018 ASP 66 C -0.0123 0.0160 0.0084 1019 ASP 66 O -0.0127 0.0179 0.0080 1020 GLY 67 N -0.0117 0.0167 0.0116 1021 GLY 67 H -0.0119 0.0150 0.0120 1022 GLY 67 CA -0.0132 0.0178 0.0140 1023 GLY 67 HA1 -0.0144 0.0175 0.0157 1024 GLY 67 HA2 -0.0131 0.0202 0.0138 1025 GLY 67 C -0.0136 0.0163 0.0146 1026 GLY 67 O -0.0149 0.0172 0.0164 1027 ARG 68 N -0.0185 0.0101 0.0008 1028 ARG 68 H -0.0173 0.0105 -0.0000 1029 ARG 68 CA -0.0190 0.0094 0.0039 1030 ARG 68 HA -0.0202 0.0091 0.0043 1031 ARG 68 CB -0.0208 0.0088 0.0051 1032 ARG 68 HB1 -0.0211 0.0083 0.0075 1033 ARG 68 HB2 -0.0231 0.0085 0.0043 1034 ARG 68 CG -0.0195 0.0092 0.0044 1035 ARG 68 HG1 -0.0196 0.0096 0.0020 1036 ARG 68 HG2 -0.0171 0.0095 0.0051 1037 ARG 68 CD -0.0205 0.0086 0.0061 1038 ARG 68 HD1 -0.0229 0.0082 0.0058 1039 ARG 68 HD2 -0.0196 0.0089 0.0056 1040 ARG 68 NE -0.0196 0.0082 0.0092 1041 ARG 68 HE -0.0174 0.0086 0.0095 1042 ARG 68 CZ -0.0215 0.0074 0.0115 1043 ARG 68 NH1 -0.0244 0.0069 0.0113 1044 ARG 68 1HH1 -0.0255 0.0070 0.0094 1045 ARG 68 2HH1 -0.0256 0.0063 0.0130 1046 ARG 68 NH2 -0.0203 0.0072 0.0141 1047 ARG 68 1HH2 -0.0183 0.0075 0.0142 1048 ARG 68 2HH2 -0.0215 0.0066 0.0160 1049 ARG 68 C -0.0161 0.0096 0.0057 1050 ARG 68 O -0.0164 0.0091 0.0082 1051 THR 69 N -0.0101 0.0157 0.0029 1052 THR 69 H -0.0103 0.0147 0.0032 1053 THR 69 CA -0.0109 0.0159 0.0025 1054 THR 69 HA -0.0113 0.0169 0.0019 1055 THR 69 CB -0.0122 0.0146 0.0025 1056 THR 69 HB -0.0118 0.0136 0.0031 1057 THR 69 OG1 -0.0132 0.0149 0.0019 1058 THR 69 HG1 -0.0128 0.0150 0.0021 1059 THR 69 CG2 -0.0131 0.0143 0.0022 1060 THR 69 1HG2 -0.0124 0.0141 0.0026 1061 THR 69 2HG2 -0.0135 0.0153 0.0016 1062 THR 69 3HG2 -0.0141 0.0136 0.0021 1063 THR 69 C -0.0097 0.0158 0.0030 1064 THR 69 O -0.0090 0.0148 0.0037 1065 PRO 70 N -0.0072 0.0184 -0.0040 1066 PRO 70 CA -0.0046 0.0194 -0.0048 1067 PRO 70 HA -0.0031 0.0179 -0.0055 1068 PRO 70 CB -0.0042 0.0224 -0.0048 1069 PRO 70 HB1 -0.0030 0.0238 -0.0051 1070 PRO 70 HB2 -0.0031 0.0223 -0.0052 1071 PRO 70 CG -0.0070 0.0236 -0.0037 1072 PRO 70 HG1 -0.0079 0.0245 -0.0033 1073 PRO 70 HG2 -0.0070 0.0252 -0.0036 1074 PRO 70 CD -0.0087 0.0208 -0.0032 1075 PRO 70 HD1 -0.0107 0.0209 -0.0025 1076 PRO 70 HD2 -0.0088 0.0203 -0.0032 1077 PRO 70 C -0.0047 0.0194 -0.0048 1078 PRO 70 O -0.0056 0.0215 -0.0043 1079 GLY 71 N 0.0156 0.0322 0.0035 1080 GLY 71 H 0.0165 0.0272 0.0026 1081 GLY 71 CA 0.0174 0.0312 0.0028 1082 GLY 71 HA1 0.0242 0.0304 0.0006 1083 GLY 71 HA2 0.0152 0.0374 0.0044 1084 GLY 71 C 0.0132 0.0231 0.0031 1085 GLY 71 O 0.0129 0.0235 0.0032 1086 SER 72 N 0.0075 0.0174 0.0127 1087 SER 72 H 0.0097 0.0202 0.0134 1088 SER 72 CA 0.0052 0.0116 0.0119 1089 SER 72 HA 0.0010 0.0107 0.0102 1090 SER 72 CB 0.0041 0.0129 0.0114 1091 SER 72 HB1 0.0016 0.0170 0.0101 1092 SER 72 HB2 0.0084 0.0137 0.0132 1093 SER 72 OG 0.0017 0.0075 0.0106 1094 SER 72 HG -0.0021 0.0073 0.0090 1095 SER 72 C 0.0087 0.0061 0.0137 1096 SER 72 O 0.0135 0.0052 0.0158 1097 ARG 73 N 0.0092 0.0094 0.0130 1098 ARG 73 H 0.0021 0.0109 0.0065 1099 ARG 73 CA 0.0167 -0.0062 0.0137 1100 ARG 73 HA 0.0252 -0.0049 0.0228 1101 ARG 73 CB 0.0192 -0.0167 0.0117 1102 ARG 73 HB1 0.0111 -0.0174 0.0033 1103 ARG 73 HB2 0.0257 -0.0278 0.0135 1104 ARG 73 CG 0.0254 -0.0098 0.0209 1105 ARG 73 HG1 0.0186 0.0010 0.0188 1106 ARG 73 HG2 0.0265 -0.0177 0.0186 1107 ARG 73 CD 0.0368 -0.0055 0.0343 1108 ARG 73 HD1 0.0420 -0.0127 0.0363 1109 ARG 73 HD2 0.0351 0.0064 0.0377 1110 ARG 73 NE 0.0459 -0.0073 0.0426 1111 ARG 73 HE 0.0461 -0.0166 0.0388 1112 ARG 73 CZ 0.0536 0.0013 0.0540 1113 ARG 73 NH1 0.0535 0.0127 0.0589 1114 ARG 73 1HH1 0.0504 0.0120 0.0555 1115 ARG 73 2HH1 0.0590 0.0196 0.0675 1116 ARG 73 NH2 0.0612 -0.0006 0.0608 1117 ARG 73 1HH2 0.0614 -0.0079 0.0578 1118 ARG 73 2HH2 0.0666 0.0064 0.0693 1119 ARG 73 C 0.0107 -0.0129 0.0049 1120 ARG 73 O 0.0173 -0.0215 0.0077 1121 ASN 74 N 0.0166 -0.0050 0.0105 1122 ASN 74 H 0.0141 -0.0013 0.0087 1123 ASN 74 CA 0.0139 -0.0089 0.0093 1124 ASN 74 HA 0.0095 -0.0071 0.0065 1125 ASN 74 CB 0.0177 -0.0077 0.0114 1126 ASN 74 HB1 0.0180 -0.0022 0.0111 1127 ASN 74 HB2 0.0221 -0.0097 0.0142 1128 ASN 74 CG 0.0147 -0.0104 0.0100 1129 ASN 74 OD1 0.0099 -0.0137 0.0075 1130 ASN 74 ND2 0.0173 -0.0089 0.0113 1131 ASN 74 1HD2 0.0205 -0.0052 0.0128 1132 ASN 74 2HD2 0.0161 -0.0110 0.0108 1133 ASN 74 C 0.0131 -0.0166 0.0096 1134 ASN 74 O 0.0156 -0.0211 0.0115 1135 LEU 75 N 0.0094 -0.0138 0.0022 1136 LEU 75 H 0.0078 -0.0100 0.0003 1137 LEU 75 CA 0.0080 -0.0204 0.0031 1138 LEU 75 HA 0.0122 -0.0222 0.0059 1139 LEU 75 CB 0.0043 -0.0196 0.0009 1140 LEU 75 HB1 0.0011 -0.0162 -0.0017 1141 LEU 75 HB2 0.0015 -0.0242 0.0006 1142 LEU 75 CG 0.0072 -0.0170 0.0018 1143 LEU 75 HG 0.0088 -0.0118 0.0013 1144 LEU 75 CD1 0.0022 -0.0176 -0.0008 1145 LEU 75 1HD1 -0.0019 -0.0154 -0.0036 1146 LEU 75 2HD1 0.0015 -0.0226 0.0001 1147 LEU 75 3HD1 0.0044 -0.0152 -0.0002 1148 LEU 75 CD2 0.0121 -0.0207 0.0054 1149 LEU 75 1HD2 0.0157 -0.0211 0.0075 1150 LEU 75 2HD2 0.0141 -0.0182 0.0059 1151 LEU 75 3HD2 0.0103 -0.0254 0.0057 1152 LEU 75 C 0.0049 -0.0253 0.0027 1153 LEU 75 O 0.0056 -0.0312 0.0046 1154 CYS 76 N 0.0038 -0.0178 0.0022 1155 CYS 76 H 0.0032 -0.0146 0.0020 1156 CYS 76 CA 0.0009 -0.0224 0.0025 1157 CYS 76 HA 0.0006 -0.0243 0.0026 1158 CYS 76 CB -0.0044 -0.0205 0.0025 1159 CYS 76 HB1 -0.0039 -0.0179 0.0023 1160 CYS 76 HB2 -0.0065 -0.0238 0.0027 1161 CYS 76 SG -0.0086 -0.0178 0.0024 1162 CYS 76 C 0.0031 -0.0259 0.0027 1163 CYS 76 O 0.0010 -0.0298 0.0030 1164 ASN 77 N 0.0110 -0.0242 0.0000 1165 ASN 77 H 0.0196 0.0008 0.0011 1166 ASN 77 CA 0.0296 -0.0440 -0.0024 1167 ASN 77 HA 0.0535 -0.0294 -0.0030 1168 ASN 77 CB 0.0433 -0.0787 -0.0054 1169 ASN 77 HB1 0.0512 -0.0736 -0.0056 1170 ASN 77 HB2 0.0206 -0.0955 -0.0051 1171 ASN 77 CG 0.0775 -0.0928 -0.0085 1172 ASN 77 OD1 0.1033 -0.0751 -0.0090 1173 ASN 77 ND2 0.0789 -0.1248 -0.0106 1174 ASN 77 1HD2 0.0577 -0.1403 -0.0102 1175 ASN 77 2HD2 0.1020 -0.1314 -0.0124 1176 ASN 77 C 0.0065 -0.0486 -0.0012 1177 ASN 77 O 0.0054 -0.0783 -0.0030 1178 ILE 78 N 0.0028 -0.0182 0.0018 1179 ILE 78 H 0.0044 -0.0152 0.0039 1180 ILE 78 CA -0.0030 -0.0171 0.0009 1181 ILE 78 HA -0.0037 -0.0196 -0.0007 1182 ILE 78 CB -0.0071 -0.0185 -0.0009 1183 ILE 78 HB -0.0111 -0.0170 -0.0010 1184 ILE 78 CG1 -0.0060 -0.0158 0.0010 1185 ILE 78 1HG1 -0.0038 -0.0182 0.0001 1186 ILE 78 2HG1 -0.0029 -0.0133 0.0032 1187 ILE 78 CG2 -0.0068 -0.0241 -0.0041 1188 ILE 78 1HG2 -0.0080 -0.0257 -0.0054 1189 ILE 78 2HG2 -0.0026 -0.0256 -0.0040 1190 ILE 78 3HG2 -0.0097 -0.0254 -0.0056 1191 ILE 78 CD -0.0110 -0.0144 0.0005 1192 ILE 78 HD1 -0.0137 -0.0173 -0.0018 1193 ILE 78 HD2 -0.0102 -0.0137 0.0012 1194 ILE 78 HD3 -0.0130 -0.0111 0.0020 1195 ILE 78 C -0.0040 -0.0119 0.0038 1196 ILE 78 O -0.0025 -0.0084 0.0063 1197 PRO 79 N -0.0084 -0.0040 0.0014 1198 PRO 79 CA -0.0112 0.0001 0.0043 1199 PRO 79 HA -0.0096 0.0016 0.0081 1200 PRO 79 CB -0.0151 0.0024 0.0035 1201 PRO 79 HB1 -0.0181 0.0051 0.0042 1202 PRO 79 HB2 -0.0135 0.0030 0.0060 1203 PRO 79 CG -0.0160 -0.0006 -0.0018 1204 PRO 79 HG1 -0.0183 -0.0010 -0.0047 1205 PRO 79 HG2 -0.0169 -0.0005 -0.0027 1206 PRO 79 CD -0.0110 -0.0046 -0.0023 1207 PRO 79 HD1 -0.0115 -0.0068 -0.0060 1208 PRO 79 HD2 -0.0095 -0.0053 -0.0016 1209 PRO 79 C -0.0136 0.0007 0.0027 1210 PRO 79 O -0.0139 -0.0018 -0.0013 1211 CYS 80 N -0.0108 0.0055 0.0030 1212 CYS 80 H -0.0105 0.0060 0.0039 1213 CYS 80 CA -0.0114 0.0054 0.0022 1214 CYS 80 HA -0.0111 0.0044 0.0019 1215 CYS 80 CB -0.0113 0.0062 0.0028 1216 CYS 80 HB1 -0.0116 0.0072 0.0031 1217 CYS 80 HB2 -0.0117 0.0060 0.0021 1218 CYS 80 SG -0.0102 0.0054 0.0039 1219 CYS 80 C -0.0124 0.0060 0.0011 1220 CYS 80 O -0.0129 0.0058 0.0002 1221 SER 81 N -0.0135 0.0061 0.0019 1222 SER 81 H -0.0151 0.0063 0.0031 1223 SER 81 CA -0.0147 0.0080 0.0001 1224 SER 81 HA -0.0144 0.0074 0.0007 1225 SER 81 CB -0.0183 0.0094 0.0011 1226 SER 81 HB1 -0.0193 0.0110 -0.0004 1227 SER 81 HB2 -0.0193 0.0085 0.0035 1228 SER 81 OG -0.0191 0.0102 0.0007 1229 SER 81 HG -0.0212 0.0106 0.0020 1230 SER 81 C -0.0132 0.0094 -0.0035 1231 SER 81 O -0.0133 0.0106 -0.0052 1232 ALA 82 N -0.0098 -0.0001 -0.0011 1233 ALA 82 H -0.0099 -0.0005 0.0001 1234 ALA 82 CA -0.0091 -0.0002 -0.0029 1235 ALA 82 HA -0.0099 0.0010 -0.0037 1236 ALA 82 CB -0.0086 -0.0008 -0.0026 1237 ALA 82 HB1 -0.0079 -0.0009 -0.0040 1238 ALA 82 HB2 -0.0095 -0.0001 -0.0019 1239 ALA 82 HB3 -0.0079 -0.0019 -0.0015 1240 ALA 82 C -0.0077 -0.0011 -0.0041 1241 ALA 82 O -0.0073 -0.0008 -0.0059 1242 LEU 83 N -0.0044 0.0007 -0.0011 1243 LEU 83 H -0.0045 0.0006 -0.0002 1244 LEU 83 CA -0.0042 -0.0004 -0.0024 1245 LEU 83 HA -0.0042 -0.0010 -0.0028 1246 LEU 83 CB -0.0044 -0.0018 -0.0020 1247 LEU 83 HB1 -0.0044 -0.0014 -0.0021 1248 LEU 83 HB2 -0.0043 -0.0027 -0.0030 1249 LEU 83 CG -0.0047 -0.0028 -0.0004 1250 LEU 83 HG -0.0048 -0.0018 0.0006 1251 LEU 83 CD1 -0.0049 -0.0036 0.0003 1252 LEU 83 1HD1 -0.0048 -0.0028 0.0005 1253 LEU 83 2HD1 -0.0048 -0.0045 -0.0005 1254 LEU 83 3HD1 -0.0051 -0.0042 0.0015 1255 LEU 83 CD2 -0.0048 -0.0040 -0.0006 1256 LEU 83 1HD2 -0.0047 -0.0050 -0.0014 1257 LEU 83 2HD2 -0.0047 -0.0033 -0.0010 1258 LEU 83 3HD2 -0.0050 -0.0045 0.0006 1259 LEU 83 C -0.0040 0.0005 -0.0039 1260 LEU 83 O -0.0038 -0.0000 -0.0054 1261 LEU 84 N -0.0033 0.0084 -0.0032 1262 LEU 84 H -0.0043 0.0089 -0.0023 1263 LEU 84 CA -0.0033 0.0090 -0.0038 1264 LEU 84 HA -0.0024 0.0079 -0.0041 1265 LEU 84 CB -0.0048 0.0098 -0.0025 1266 LEU 84 HB1 -0.0056 0.0106 -0.0021 1267 LEU 84 HB2 -0.0050 0.0105 -0.0030 1268 LEU 84 CG -0.0050 0.0085 -0.0007 1269 LEU 84 HG -0.0050 0.0079 0.0000 1270 LEU 84 CD1 -0.0063 0.0093 0.0004 1271 LEU 84 1HD1 -0.0072 0.0103 0.0007 1272 LEU 84 2HD1 -0.0061 0.0098 -0.0005 1273 LEU 84 3HD1 -0.0063 0.0083 0.0016 1274 LEU 84 CD2 -0.0037 0.0069 -0.0008 1275 LEU 84 1HD2 -0.0028 0.0059 -0.0011 1276 LEU 84 2HD2 -0.0041 0.0063 0.0004 1277 LEU 84 3HD2 -0.0035 0.0073 -0.0017 1278 LEU 84 C -0.0033 0.0105 -0.0056 1279 LEU 84 O -0.0034 0.0112 -0.0063 1280 SER 85 N 0.0021 0.0064 -0.0033 1281 SER 85 H 0.0015 0.0055 -0.0025 1282 SER 85 CA 0.0026 0.0079 -0.0037 1283 SER 85 HA 0.0031 0.0093 -0.0039 1284 SER 85 CB 0.0020 0.0082 -0.0021 1285 SER 85 HB1 0.0015 0.0083 -0.0008 1286 SER 85 HB2 0.0017 0.0069 -0.0023 1287 SER 85 OG 0.0025 0.0096 -0.0024 1288 SER 85 HG 0.0027 0.0109 -0.0020 1289 SER 85 C 0.0032 0.0073 -0.0054 1290 SER 85 O 0.0030 0.0056 -0.0059 1291 SER 86 N 0.0052 0.0075 -0.0042 1292 SER 86 H 0.0053 0.0091 -0.0035 1293 SER 86 CA 0.0043 0.0063 -0.0069 1294 SER 86 HA 0.0040 0.0058 -0.0079 1295 SER 86 CB 0.0035 0.0089 -0.0084 1296 SER 86 HB1 0.0037 0.0093 -0.0076 1297 SER 86 HB2 0.0028 0.0081 -0.0105 1298 SER 86 OG 0.0033 0.0116 -0.0080 1299 SER 86 HG 0.0040 0.0121 -0.0062 1300 SER 86 C 0.0045 0.0037 -0.0071 1301 SER 86 O 0.0038 0.0023 -0.0093 1302 ASP 87 N 0.0040 0.0023 -0.0067 1303 ASP 87 H 0.0050 0.0036 -0.0052 1304 ASP 87 CA 0.0040 -0.0010 -0.0058 1305 ASP 87 HA 0.0028 -0.0022 -0.0076 1306 ASP 87 CB 0.0052 -0.0010 -0.0035 1307 ASP 87 HB1 0.0047 -0.0002 -0.0046 1308 ASP 87 HB2 0.0062 0.0010 -0.0022 1309 ASP 87 CG 0.0057 -0.0040 -0.0018 1310 ASP 87 OD1 0.0049 -0.0065 -0.0028 1311 ASP 87 OD2 0.0070 -0.0041 0.0005 1312 ASP 87 C 0.0045 -0.0023 -0.0045 1313 ASP 87 O 0.0055 -0.0007 -0.0030 1314 ILE 88 N 0.0067 -0.0069 -0.0040 1315 ILE 88 H 0.0066 -0.0070 -0.0049 1316 ILE 88 CA 0.0066 -0.0081 -0.0036 1317 ILE 88 HA 0.0067 -0.0077 -0.0034 1318 ILE 88 CB 0.0065 -0.0090 -0.0049 1319 ILE 88 HB 0.0064 -0.0099 -0.0048 1320 ILE 88 CG1 0.0064 -0.0094 -0.0054 1321 ILE 88 1HG1 0.0064 -0.0085 -0.0056 1322 ILE 88 2HG1 0.0064 -0.0098 -0.0045 1323 ILE 88 CG2 0.0064 -0.0084 -0.0062 1324 ILE 88 1HG2 0.0064 -0.0075 -0.0065 1325 ILE 88 2HG2 0.0063 -0.0091 -0.0071 1326 ILE 88 3HG2 0.0065 -0.0079 -0.0060 1327 ILE 88 CD 0.0062 -0.0105 -0.0065 1328 ILE 88 HD1 0.0062 -0.0107 -0.0065 1329 ILE 88 HD2 0.0062 -0.0114 -0.0064 1330 ILE 88 HD3 0.0062 -0.0100 -0.0075 1331 ILE 88 C 0.0066 -0.0089 -0.0024 1332 ILE 88 O 0.0066 -0.0098 -0.0019 1333 THR 89 N 0.0034 -0.0110 -0.0020 1334 THR 89 H 0.0040 -0.0104 -0.0020 1335 THR 89 CA 0.0031 -0.0121 0.0001 1336 THR 89 HA 0.0019 -0.0134 -0.0000 1337 THR 89 CB 0.0043 -0.0117 0.0020 1338 THR 89 HB 0.0055 -0.0106 0.0024 1339 THR 89 OG1 0.0043 -0.0116 0.0017 1340 THR 89 HG1 0.0050 -0.0105 0.0009 1341 THR 89 CG2 0.0036 -0.0133 0.0040 1342 THR 89 1HG2 0.0023 -0.0145 0.0037 1343 THR 89 2HG2 0.0042 -0.0133 0.0055 1344 THR 89 3HG2 0.0036 -0.0134 0.0044 1345 THR 89 C 0.0032 -0.0122 0.0005 1346 THR 89 O 0.0021 -0.0136 0.0011 1347 ALA 90 N -0.0006 -0.0105 -0.0017 1348 ALA 90 H -0.0001 -0.0099 -0.0020 1349 ALA 90 CA -0.0017 -0.0114 -0.0008 1350 ALA 90 HA -0.0025 -0.0114 -0.0001 1351 ALA 90 CB -0.0022 -0.0108 -0.0003 1352 ALA 90 HB1 -0.0026 -0.0096 0.0002 1353 ALA 90 HB2 -0.0014 -0.0107 -0.0010 1354 ALA 90 HB3 -0.0029 -0.0117 0.0003 1355 ALA 90 C -0.0015 -0.0132 -0.0011 1356 ALA 90 O -0.0024 -0.0143 -0.0005 1357 SER 91 N 0.0019 -0.0076 -0.0010 1358 SER 91 H 0.0018 -0.0070 -0.0017 1359 SER 91 CA 0.0014 -0.0081 -0.0019 1360 SER 91 HA 0.0017 -0.0079 -0.0012 1361 SER 91 CB 0.0010 -0.0074 -0.0034 1362 SER 91 HB1 0.0008 -0.0076 -0.0040 1363 SER 91 HB2 0.0008 -0.0078 -0.0039 1364 SER 91 OG 0.0015 -0.0058 -0.0033 1365 SER 91 HG 0.0016 -0.0055 -0.0030 1366 SER 91 C 0.0011 -0.0099 -0.0018 1367 SER 91 O 0.0010 -0.0106 -0.0014 1368 VAL 92 N 0.0026 -0.0134 -0.0003 1369 VAL 92 H 0.0034 -0.0126 -0.0003 1370 VAL 92 CA 0.0019 -0.0136 0.0003 1371 VAL 92 HA 0.0016 -0.0145 -0.0004 1372 VAL 92 CB 0.0025 -0.0128 0.0004 1373 VAL 92 HB 0.0028 -0.0119 0.0012 1374 VAL 92 CG1 0.0017 -0.0131 0.0010 1375 VAL 92 1HG1 0.0012 -0.0126 0.0020 1376 VAL 92 2HG1 0.0009 -0.0140 0.0009 1377 VAL 92 3HG1 0.0020 -0.0130 0.0007 1378 VAL 92 CG2 0.0036 -0.0129 -0.0008 1379 VAL 92 1HG2 0.0041 -0.0122 -0.0005 1380 VAL 92 2HG2 0.0033 -0.0137 -0.0013 1381 VAL 92 3HG2 0.0042 -0.0127 -0.0012 1382 VAL 92 C 0.0007 -0.0137 0.0013 1383 VAL 92 O -0.0003 -0.0146 0.0014 1384 ASN 93 N -0.0018 -0.0186 0.0017 1385 ASN 93 H -0.0011 -0.0184 0.0018 1386 ASN 93 CA -0.0022 -0.0187 0.0022 1387 ASN 93 HA -0.0027 -0.0188 0.0029 1388 ASN 93 CB -0.0012 -0.0184 0.0028 1389 ASN 93 HB1 -0.0006 -0.0183 0.0023 1390 ASN 93 HB2 -0.0016 -0.0185 0.0031 1391 ASN 93 CG -0.0007 -0.0182 0.0037 1392 ASN 93 OD1 0.0003 -0.0179 0.0038 1393 ASN 93 ND2 -0.0012 -0.0183 0.0045 1394 ASN 93 1HD2 -0.0020 -0.0185 0.0045 1395 ASN 93 2HD2 -0.0008 -0.0181 0.0051 1396 ASN 93 C -0.0027 -0.0189 0.0014 1397 ASN 93 O -0.0035 -0.0191 0.0018 1398 CYS 94 N -0.0055 -0.0170 0.0018 1399 CYS 94 H -0.0054 -0.0168 0.0017 1400 CYS 94 CA -0.0052 -0.0161 0.0014 1401 CYS 94 HA -0.0045 -0.0163 0.0015 1402 CYS 94 CB -0.0046 -0.0152 0.0009 1403 CYS 94 HB1 -0.0039 -0.0155 0.0011 1404 CYS 94 HB2 -0.0051 -0.0151 0.0008 1405 CYS 94 SG -0.0042 -0.0141 0.0003 1406 CYS 94 C -0.0062 -0.0157 0.0011 1407 CYS 94 O -0.0061 -0.0155 0.0010 1408 ALA 95 N -0.0022 -0.0104 0.0007 1409 ALA 95 H -0.0015 -0.0105 0.0012 1410 ALA 95 CA -0.0026 -0.0102 0.0006 1411 ALA 95 HA -0.0027 -0.0106 -0.0002 1412 ALA 95 CB -0.0018 -0.0103 0.0012 1413 ALA 95 HB1 -0.0020 -0.0102 0.0013 1414 ALA 95 HB2 -0.0011 -0.0109 0.0009 1415 ALA 95 HB3 -0.0015 -0.0100 0.0020 1416 ALA 95 C -0.0035 -0.0094 0.0010 1417 ALA 95 O -0.0042 -0.0092 0.0006 1418 LYS 96 N -0.0044 -0.0129 0.0037 1419 LYS 96 H -0.0041 -0.0132 0.0039 1420 LYS 96 CA -0.0050 -0.0120 0.0038 1421 LYS 96 HA -0.0050 -0.0117 0.0041 1422 LYS 96 CB -0.0048 -0.0118 0.0044 1423 LYS 96 HB1 -0.0046 -0.0123 0.0041 1424 LYS 96 HB2 -0.0052 -0.0112 0.0043 1425 LYS 96 CG -0.0043 -0.0118 0.0054 1426 LYS 96 HG1 -0.0044 -0.0112 0.0057 1427 LYS 96 HG2 -0.0039 -0.0123 0.0054 1428 LYS 96 CD -0.0040 -0.0117 0.0057 1429 LYS 96 HD1 -0.0037 -0.0124 0.0055 1430 LYS 96 HD2 -0.0045 -0.0114 0.0054 1431 LYS 96 CE -0.0037 -0.0114 0.0068 1432 LYS 96 HE1 -0.0039 -0.0109 0.0071 1433 LYS 96 HE2 -0.0032 -0.0119 0.0071 1434 LYS 96 NZ -0.0036 -0.0112 0.0071 1435 LYS 96 HZ1 -0.0035 -0.0117 0.0067 1436 LYS 96 HZ2 -0.0041 -0.0107 0.0069 1437 LYS 96 HZ3 -0.0033 -0.0111 0.0077 1438 LYS 96 C -0.0056 -0.0119 0.0029 1439 LYS 96 O -0.0061 -0.0112 0.0029 1440 LYS 97 N -0.0137 -0.0181 0.0086 1441 LYS 97 H -0.0121 -0.0200 0.0092 1442 LYS 97 CA -0.0117 -0.0160 0.0048 1443 LYS 97 HA -0.0128 -0.0157 0.0054 1444 LYS 97 CB -0.0067 -0.0185 0.0031 1445 LYS 97 HB1 -0.0057 -0.0187 0.0024 1446 LYS 97 HB2 -0.0058 -0.0167 0.0004 1447 LYS 97 CG -0.0049 -0.0227 0.0058 1448 LYS 97 HG1 -0.0056 -0.0227 0.0065 1449 LYS 97 HG2 -0.0061 -0.0243 0.0085 1450 LYS 97 CD -0.0000 -0.0250 0.0040 1451 LYS 97 HD1 0.0009 -0.0247 0.0030 1452 LYS 97 HD2 0.0013 -0.0233 0.0012 1453 LYS 97 CE 0.0020 -0.0293 0.0068 1454 LYS 97 HE1 0.0009 -0.0287 0.0071 1455 LYS 97 HE2 0.0005 -0.0309 0.0097 1456 LYS 97 NZ 0.0065 -0.0311 0.0048 1457 LYS 97 HZ1 0.0074 -0.0292 0.0021 1458 LYS 97 HZ2 0.0081 -0.0340 0.0064 1459 LYS 97 HZ3 0.0077 -0.0312 0.0039 1460 LYS 97 C -0.0130 -0.0119 0.0016 1461 LYS 97 O -0.0127 -0.0095 -0.0011 1462 ILE 98 N -0.0090 -0.0084 -0.0010 1463 ILE 98 H -0.0088 -0.0089 -0.0005 1464 ILE 98 CA -0.0095 -0.0075 -0.0019 1465 ILE 98 HA -0.0089 -0.0072 -0.0027 1466 ILE 98 CB -0.0094 -0.0074 -0.0020 1467 ILE 98 HB -0.0098 -0.0079 -0.0011 1468 ILE 98 CG1 -0.0080 -0.0079 -0.0025 1469 ILE 98 1HG1 -0.0076 -0.0076 -0.0033 1470 ILE 98 2HG1 -0.0075 -0.0087 -0.0019 1471 ILE 98 CG2 -0.0101 -0.0064 -0.0028 1472 ILE 98 1HG2 -0.0099 -0.0064 -0.0029 1473 ILE 98 2HG2 -0.0111 -0.0061 -0.0025 1474 ILE 98 3HG2 -0.0097 -0.0060 -0.0036 1475 ILE 98 CD -0.0078 -0.0079 -0.0026 1476 ILE 98 HD1 -0.0081 -0.0083 -0.0019 1477 ILE 98 HD2 -0.0081 -0.0072 -0.0034 1478 ILE 98 HD3 -0.0068 -0.0084 -0.0028 1479 ILE 98 C -0.0109 -0.0068 -0.0017 1480 ILE 98 O -0.0112 -0.0060 -0.0024 1481 VAL 99 N -0.0102 -0.0037 0.0006 1482 VAL 99 H -0.0087 -0.0043 0.0017 1483 VAL 99 CA -0.0111 -0.0020 0.0013 1484 VAL 99 HA -0.0112 -0.0027 0.0004 1485 VAL 99 CB -0.0095 -0.0012 0.0041 1486 VAL 99 HB -0.0080 -0.0029 0.0040 1487 VAL 99 CG1 -0.0093 0.0002 0.0058 1488 VAL 99 1HG1 -0.0087 0.0012 0.0076 1489 VAL 99 2HG1 -0.0085 -0.0010 0.0056 1490 VAL 99 3HG1 -0.0110 0.0016 0.0053 1491 VAL 99 CG2 -0.0098 0.0001 0.0050 1492 VAL 99 1HG2 -0.0084 0.0001 0.0068 1493 VAL 99 2HG2 -0.0112 0.0019 0.0053 1494 VAL 99 3HG2 -0.0098 -0.0009 0.0041 1495 VAL 99 C -0.0134 0.0001 0.0008 1496 VAL 99 O -0.0146 0.0015 0.0008 1497 SER 100 N -0.0228 -0.0025 0.0023 1498 SER 100 H -0.0197 -0.0037 0.0027 1499 SER 100 CA -0.0272 -0.0002 0.0030 1500 SER 100 HA -0.0296 0.0014 0.0046 1501 SER 100 CB -0.0263 0.0007 0.0064 1502 SER 100 HB1 -0.0244 -0.0005 0.0054 1503 SER 100 HB2 -0.0296 0.0026 0.0074 1504 SER 100 OG -0.0238 0.0015 0.0109 1505 SER 100 HG -0.0209 -0.0001 0.0101 1506 SER 100 C -0.0297 -0.0011 -0.0018 1507 SER 100 O -0.0336 0.0006 -0.0019 1508 ASP 101 N -0.0251 0.0009 -0.0015 1509 ASP 101 H -0.0219 -0.0009 -0.0010 1510 ASP 101 CA -0.0262 0.0011 -0.0076 1511 ASP 101 HA -0.0266 0.0014 -0.0067 1512 ASP 101 CB -0.0215 -0.0020 -0.0113 1513 ASP 101 HB1 -0.0180 -0.0039 -0.0084 1514 ASP 101 HB2 -0.0216 -0.0022 -0.0135 1515 ASP 101 CG -0.0205 -0.0030 -0.0160 1516 ASP 101 OD1 -0.0190 -0.0037 -0.0142 1517 ASP 101 OD2 -0.0206 -0.0034 -0.0214 1518 ASP 101 C -0.0312 0.0038 -0.0109 1519 ASP 101 O -0.0334 0.0047 -0.0148 1520 GLY 102 N -0.0401 0.0127 -0.0296 1521 GLY 102 H -0.0335 0.0068 -0.0166 1522 GLY 102 CA -0.0643 0.0310 -0.0296 1523 GLY 102 HA1 -0.0719 0.0353 -0.0107 1524 GLY 102 HA2 -0.0687 0.0354 -0.0452 1525 GLY 102 C -0.0739 0.0386 -0.0342 1526 GLY 102 O -0.0935 0.0533 -0.0317 1527 ASN 103 N -0.0435 0.0232 -0.0223 1528 ASN 103 H -0.0406 0.0174 -0.0227 1529 ASN 103 CA -0.0418 0.0222 -0.0199 1530 ASN 103 HA -0.0459 0.0286 -0.0213 1531 ASN 103 CB -0.0396 0.0125 -0.0260 1532 ASN 103 HB1 -0.0420 0.0104 -0.0328 1533 ASN 103 HB2 -0.0346 0.0067 -0.0222 1534 ASN 103 CG -0.0407 0.0129 -0.0276 1535 ASN 103 OD1 -0.0385 0.0147 -0.0213 1536 ASN 103 ND2 -0.0451 0.0124 -0.0368 1537 ASN 103 1HD2 -0.0471 0.0113 -0.0418 1538 ASN 103 2HD2 -0.0465 0.0133 -0.0384 1539 ASN 103 C -0.0366 0.0229 -0.0091 1540 ASN 103 O -0.0362 0.0261 -0.0051 1541 GLY 104 N -0.0177 0.0082 0.0002 1542 GLY 104 H -0.0183 0.0070 -0.0013 1543 GLY 104 CA -0.0139 0.0100 0.0048 1544 GLY 104 HA1 -0.0145 0.0134 0.0066 1545 GLY 104 HA2 -0.0143 0.0118 0.0058 1546 GLY 104 C -0.0093 0.0055 0.0057 1547 GLY 104 O -0.0090 0.0025 0.0039 1548 MET 105 N -0.0013 0.0027 0.0026 1549 MET 105 H -0.0013 0.0030 0.0028 1550 MET 105 CA -0.0007 0.0024 0.0025 1551 MET 105 HA -0.0007 0.0024 0.0025 1552 MET 105 CB 0.0000 0.0026 0.0028 1553 MET 105 HB1 -0.0001 0.0028 0.0030 1554 MET 105 HB2 0.0005 0.0022 0.0027 1555 MET 105 CG 0.0004 0.0031 0.0033 1556 MET 105 HG1 0.0003 0.0030 0.0032 1557 MET 105 HG2 0.0001 0.0036 0.0035 1558 MET 105 SD 0.0013 0.0030 0.0035 1559 MET 105 CE 0.0017 0.0024 0.0032 1560 MET 105 HE1 0.0023 0.0024 0.0033 1561 MET 105 HE2 0.0015 0.0020 0.0028 1562 MET 105 HE3 0.0015 0.0026 0.0032 1563 MET 105 C -0.0007 0.0017 0.0021 1564 MET 105 O -0.0002 0.0013 0.0020 1565 ASN 106 N 0.0006 0.0068 0.0068 1566 ASN 106 H 0.0005 0.0093 0.0056 1567 ASN 106 CA 0.0004 0.0045 0.0076 1568 ASN 106 HA 0.0019 0.0032 0.0097 1569 ASN 106 CB 0.0002 0.0066 0.0066 1570 ASN 106 HB1 -0.0015 0.0076 0.0044 1571 ASN 106 HB2 -0.0003 0.0046 0.0069 1572 ASN 106 CG 0.0028 0.0092 0.0080 1573 ASN 106 OD1 0.0048 0.0084 0.0103 1574 ASN 106 ND2 0.0027 0.0124 0.0065 1575 ASN 106 1HD2 0.0012 0.0133 0.0045 1576 ASN 106 2HD2 0.0045 0.0141 0.0076 1577 ASN 106 C -0.0021 0.0014 0.0065 1578 ASN 106 O -0.0023 -0.0014 0.0076 1579 ALA 107 N -0.0059 0.0021 -0.0009 1580 ALA 107 H -0.0059 0.0016 -0.0012 1581 ALA 107 CA -0.0062 0.0004 -0.0019 1582 ALA 107 HA -0.0056 0.0011 -0.0026 1583 ALA 107 CB -0.0062 -0.0011 -0.0036 1584 ALA 107 HB1 -0.0064 -0.0024 -0.0044 1585 ALA 107 HB2 -0.0053 -0.0003 -0.0047 1586 ALA 107 HB3 -0.0069 -0.0021 -0.0029 1587 ALA 107 C -0.0076 -0.0011 -0.0002 1588 ALA 107 O -0.0077 -0.0020 -0.0008 1589 TRP 108 N 0.0019 0.0045 0.0040 1590 TRP 108 H 0.0019 0.0041 0.0039 1591 TRP 108 CA -0.0001 0.0047 0.0047 1592 TRP 108 HA -0.0001 0.0048 0.0048 1593 TRP 108 CB -0.0015 0.0033 0.0046 1594 TRP 108 HB1 -0.0015 0.0030 0.0045 1595 TRP 108 HB2 -0.0030 0.0035 0.0051 1596 TRP 108 CG -0.0014 0.0013 0.0038 1597 TRP 108 CD1 -0.0023 0.0009 0.0038 1598 TRP 108 HD1 -0.0029 0.0018 0.0044 1599 TRP 108 CD2 -0.0006 -0.0004 0.0028 1600 TRP 108 NE1 -0.0018 -0.0007 0.0030 1601 TRP 108 HE1 -0.0022 -0.0011 0.0030 1602 TRP 108 CE2 -0.0007 -0.0016 0.0024 1603 TRP 108 CE3 0.0004 -0.0009 0.0023 1604 TRP 108 HE3 0.0004 -0.0002 0.0026 1605 TRP 108 CZ2 0.0000 -0.0033 0.0015 1606 TRP 108 HZ2 -0.0001 -0.0043 0.0011 1607 TRP 108 CZ3 0.0013 -0.0026 0.0014 1608 TRP 108 HZ3 0.0020 -0.0029 0.0010 1609 TRP 108 CH2 0.0012 -0.0038 0.0009 1610 TRP 108 HH2 0.0017 -0.0051 0.0002 1611 TRP 108 C -0.0007 0.0066 0.0056 1612 TRP 108 O -0.0011 0.0068 0.0059 1613 VAL 109 N 0.0016 0.0134 0.0126 1614 VAL 109 H 0.0007 0.0140 0.0130 1615 VAL 109 CA 0.0016 0.0149 0.0147 1616 VAL 109 HA 0.0040 0.0142 0.0148 1617 VAL 109 CB 0.0008 0.0174 0.0174 1618 VAL 109 HB 0.0031 0.0173 0.0183 1619 VAL 109 CG1 -0.0022 0.0181 0.0170 1620 VAL 109 1HG1 -0.0030 0.0199 0.0189 1621 VAL 109 2HG1 -0.0017 0.0173 0.0162 1622 VAL 109 3HG1 -0.0042 0.0176 0.0154 1623 VAL 109 CG2 0.0001 0.0192 0.0194 1624 VAL 109 1HG2 0.0024 0.0186 0.0196 1625 VAL 109 2HG2 -0.0003 0.0207 0.0212 1626 VAL 109 3HG2 -0.0018 0.0191 0.0184 1627 VAL 109 C -0.0006 0.0148 0.0135 1628 VAL 109 O 0.0005 0.0148 0.0140 1629 ALA 110 N 0.0034 0.0177 0.0097 1630 ALA 110 H 0.0032 0.0188 0.0102 1631 ALA 110 CA 0.0032 0.0177 0.0078 1632 ALA 110 HA 0.0033 0.0174 0.0075 1633 ALA 110 CB 0.0029 0.0195 0.0072 1634 ALA 110 HB1 0.0029 0.0204 0.0081 1635 ALA 110 HB2 0.0029 0.0197 0.0069 1636 ALA 110 HB3 0.0028 0.0199 0.0060 1637 ALA 110 C 0.0034 0.0164 0.0068 1638 ALA 110 O 0.0034 0.0159 0.0054 1639 TRP 111 N 0.0025 0.0104 0.0067 1640 TRP 111 H 0.0027 0.0107 0.0073 1641 TRP 111 CA 0.0032 0.0093 0.0056 1642 TRP 111 HA 0.0025 0.0093 0.0047 1643 TRP 111 CB 0.0035 0.0088 0.0051 1644 TRP 111 HB1 0.0026 0.0092 0.0046 1645 TRP 111 HB2 0.0042 0.0088 0.0060 1646 TRP 111 CG 0.0043 0.0076 0.0041 1647 TRP 111 CD1 0.0038 0.0071 0.0026 1648 TRP 111 HD1 0.0028 0.0075 0.0020 1649 TRP 111 CD2 0.0057 0.0066 0.0043 1650 TRP 111 NE1 0.0047 0.0060 0.0019 1651 TRP 111 HE1 0.0046 0.0055 0.0009 1652 TRP 111 CE2 0.0060 0.0056 0.0029 1653 TRP 111 CE3 0.0068 0.0065 0.0055 1654 TRP 111 HE3 0.0066 0.0072 0.0066 1655 TRP 111 CZ2 0.0072 0.0046 0.0029 1656 TRP 111 HZ2 0.0075 0.0038 0.0019 1657 TRP 111 CZ3 0.0081 0.0054 0.0055 1658 TRP 111 HZ3 0.0089 0.0053 0.0064 1659 TRP 111 CH2 0.0083 0.0045 0.0041 1660 TRP 111 HH2 0.0093 0.0037 0.0040 1661 TRP 111 C 0.0043 0.0087 0.0062 1662 TRP 111 O 0.0047 0.0080 0.0054 1663 ARG 112 N 0.0026 0.0090 0.0114 1664 ARG 112 H 0.0001 0.0093 0.0127 1665 ARG 112 CA 0.0064 0.0077 0.0141 1666 ARG 112 HA 0.0092 0.0077 0.0119 1667 ARG 112 CB 0.0059 0.0071 0.0172 1668 ARG 112 HB1 0.0031 0.0072 0.0195 1669 ARG 112 HB2 0.0087 0.0062 0.0192 1670 ARG 112 CG 0.0055 0.0076 0.0154 1671 ARG 112 HG1 0.0083 0.0076 0.0132 1672 ARG 112 HG2 0.0028 0.0086 0.0134 1673 ARG 112 CD 0.0055 0.0068 0.0190 1674 ARG 112 HD1 0.0087 0.0059 0.0204 1675 ARG 112 HD2 0.0052 0.0072 0.0176 1676 ARG 112 NE 0.0021 0.0068 0.0223 1677 ARG 112 HE 0.0031 0.0061 0.0243 1678 ARG 112 CZ -0.0013 0.0072 0.0235 1679 ARG 112 NH1 -0.0024 0.0080 0.0208 1680 ARG 112 1HH1 -0.0015 0.0085 0.0177 1681 ARG 112 2HH1 -0.0047 0.0083 0.0213 1682 ARG 112 NH2 -0.0031 0.0067 0.0273 1683 ARG 112 1HH2 -0.0022 0.0061 0.0292 1684 ARG 112 2HH2 -0.0056 0.0069 0.0284 1685 ARG 112 C 0.0071 0.0070 0.0170 1686 ARG 112 O 0.0108 0.0060 0.0179 1687 ASN 113 N 0.0060 0.0137 0.0127 1688 ASN 113 H 0.0052 0.0152 0.0139 1689 ASN 113 CA 0.0056 0.0142 0.0120 1690 ASN 113 HA 0.0068 0.0124 0.0131 1691 ASN 113 CB 0.0037 0.0176 0.0133 1692 ASN 113 HB1 0.0026 0.0192 0.0123 1693 ASN 113 HB2 0.0034 0.0180 0.0128 1694 ASN 113 CG 0.0038 0.0184 0.0174 1695 ASN 113 OD1 0.0054 0.0164 0.0194 1696 ASN 113 ND2 0.0022 0.0213 0.0185 1697 ASN 113 1HD2 0.0009 0.0230 0.0169 1698 ASN 113 2HD2 0.0024 0.0216 0.0211 1699 ASN 113 C 0.0052 0.0139 0.0080 1700 ASN 113 O 0.0056 0.0130 0.0069 1701 ARG 114 N 0.0042 0.0165 0.0029 1702 ARG 114 H 0.0046 0.0171 0.0043 1703 ARG 114 CA 0.0029 0.0170 -0.0005 1704 ARG 114 HA 0.0025 0.0161 -0.0021 1705 ARG 114 CB 0.0022 0.0210 -0.0011 1706 ARG 114 HB1 0.0026 0.0219 0.0004 1707 ARG 114 HB2 0.0013 0.0211 -0.0038 1708 ARG 114 CG 0.0022 0.0234 -0.0002 1709 ARG 114 HG1 0.0019 0.0224 -0.0016 1710 ARG 114 HG2 0.0032 0.0232 0.0024 1711 ARG 114 CD 0.0014 0.0273 -0.0012 1712 ARG 114 HD1 0.0011 0.0276 -0.0020 1713 ARG 114 HD2 0.0007 0.0278 -0.0032 1714 ARG 114 NE 0.0021 0.0298 0.0017 1715 ARG 114 HE 0.0026 0.0295 0.0029 1716 ARG 114 CZ 0.0019 0.0332 0.0022 1717 ARG 114 NH1 0.0008 0.0350 -0.0004 1718 ARG 114 1HH1 0.0001 0.0342 -0.0027 1719 ARG 114 2HH1 0.0006 0.0376 -0.0001 1720 ARG 114 NH2 0.0028 0.0349 0.0052 1721 ARG 114 1HH2 0.0036 0.0335 0.0073 1722 ARG 114 2HH2 0.0026 0.0375 0.0056 1723 ARG 114 C 0.0027 0.0146 -0.0020 1724 ARG 114 O 0.0016 0.0142 -0.0052 1725 CYS 115 N 0.0039 0.0132 -0.0005 1726 CYS 115 H 0.0053 0.0135 0.0005 1727 CYS 115 CA 0.0039 0.0110 -0.0018 1728 CYS 115 HA 0.0024 0.0109 -0.0028 1729 CYS 115 CB 0.0045 0.0102 -0.0019 1730 CYS 115 HB1 0.0060 0.0103 -0.0008 1731 CYS 115 HB2 0.0044 0.0086 -0.0028 1732 CYS 115 SG 0.0029 0.0121 -0.0018 1733 CYS 115 C 0.0053 0.0096 -0.0016 1734 CYS 115 O 0.0048 0.0084 -0.0027 1735 LYS 116 N 0.0060 0.0096 0.0034 1736 LYS 116 H 0.0040 0.0109 0.0050 1737 LYS 116 CA 0.0105 0.0073 0.0040 1738 LYS 116 HA 0.0115 0.0061 0.0006 1739 LYS 116 CB 0.0117 0.0075 0.0087 1740 LYS 116 HB1 0.0103 0.0082 0.0082 1741 LYS 116 HB2 0.0105 0.0087 0.0115 1742 LYS 116 CG 0.0162 0.0054 0.0100 1743 LYS 116 HG1 0.0180 0.0046 0.0108 1744 LYS 116 HG2 0.0175 0.0041 0.0069 1745 LYS 116 CD 0.0164 0.0060 0.0137 1746 LYS 116 HD1 0.0144 0.0069 0.0130 1747 LYS 116 HD2 0.0155 0.0071 0.0169 1748 LYS 116 CE 0.0206 0.0040 0.0148 1749 LYS 116 HE1 0.0228 0.0031 0.0161 1750 LYS 116 HE2 0.0218 0.0028 0.0115 1751 LYS 116 NZ 0.0211 0.0043 0.0178 1752 LYS 116 HZ1 0.0207 0.0052 0.0212 1753 LYS 116 HZ2 0.0240 0.0028 0.0181 1754 LYS 116 HZ3 0.0194 0.0049 0.0164 1755 LYS 116 C 0.0126 0.0063 0.0047 1756 LYS 116 O 0.0129 0.0069 0.0087 1757 GLY 117 N 0.0142 0.0081 0.0026 1758 GLY 117 H 0.0139 0.0049 -0.0016 1759 GLY 117 CA 0.0150 0.0067 0.0014 1760 GLY 117 HA1 0.0204 0.0022 -0.0001 1761 GLY 117 HA2 0.0166 0.0100 0.0066 1762 GLY 117 C 0.0079 0.0062 -0.0044 1763 GLY 117 O 0.0080 0.0049 -0.0059 1764 THR 118 N -0.0004 0.0063 -0.0079 1765 THR 118 H 0.0011 0.0069 -0.0065 1766 THR 118 CA -0.0037 0.0067 -0.0107 1767 THR 118 HA -0.0052 0.0064 -0.0121 1768 THR 118 CB -0.0044 0.0109 -0.0108 1769 THR 118 HB -0.0070 0.0112 -0.0130 1770 THR 118 OG1 -0.0030 0.0106 -0.0096 1771 THR 118 HG1 -0.0008 0.0099 -0.0078 1772 THR 118 CG2 -0.0036 0.0148 -0.0095 1773 THR 118 1HG2 -0.0045 0.0177 -0.0100 1774 THR 118 2HG2 -0.0043 0.0149 -0.0102 1775 THR 118 3HG2 -0.0012 0.0157 -0.0073 1776 THR 118 C -0.0044 0.0031 -0.0118 1777 THR 118 O -0.0024 0.0007 -0.0104 1778 ASP 119 N -0.0167 0.0021 -0.0248 1779 ASP 119 H -0.0158 0.0025 -0.0302 1780 ASP 119 CA -0.0158 0.0023 -0.0185 1781 ASP 119 HA -0.0200 0.0006 -0.0139 1782 ASP 119 CB -0.0161 0.0022 -0.0221 1783 ASP 119 HB1 -0.0216 0.0002 -0.0249 1784 ASP 119 HB2 -0.0118 0.0040 -0.0266 1785 ASP 119 CG -0.0157 0.0023 -0.0165 1786 ASP 119 OD1 -0.0188 0.0010 -0.0099 1787 ASP 119 OD2 -0.0123 0.0036 -0.0193 1788 ASP 119 C -0.0080 0.0052 -0.0150 1789 ASP 119 O -0.0027 0.0073 -0.0176 1790 VAL 120 N -0.0024 0.0056 -0.0080 1791 VAL 120 H -0.0030 0.0052 -0.0077 1792 VAL 120 CA -0.0005 0.0057 -0.0073 1793 VAL 120 HA 0.0002 0.0066 -0.0082 1794 VAL 120 CB 0.0005 0.0055 -0.0067 1795 VAL 120 HB 0.0018 0.0054 -0.0059 1796 VAL 120 CG1 0.0010 0.0067 -0.0080 1797 VAL 120 1HG1 0.0018 0.0065 -0.0074 1798 VAL 120 2HG1 0.0017 0.0075 -0.0088 1799 VAL 120 3HG1 -0.0003 0.0067 -0.0087 1800 VAL 120 CG2 -0.0007 0.0044 -0.0056 1801 VAL 120 1HG2 -0.0010 0.0036 -0.0047 1802 VAL 120 2HG2 0.0000 0.0044 -0.0052 1803 VAL 120 3HG2 -0.0021 0.0045 -0.0063 1804 VAL 120 C -0.0004 0.0048 -0.0060 1805 VAL 120 O 0.0010 0.0049 -0.0056 1806 GLN 121 N -0.0039 0.0070 -0.0055 1807 GLN 121 H -0.0069 0.0086 -0.0060 1808 GLN 121 CA -0.0013 0.0085 0.0001 1809 GLN 121 HA -0.0007 0.0085 0.0006 1810 GLN 121 CB -0.0050 0.0127 0.0035 1811 GLN 121 HB1 -0.0086 0.0140 0.0018 1812 GLN 121 HB2 -0.0057 0.0127 0.0028 1813 GLN 121 CG -0.0030 0.0148 0.0094 1814 GLN 121 HG1 -0.0000 0.0140 0.0113 1815 GLN 121 HG2 -0.0009 0.0139 0.0102 1816 GLN 121 CD -0.0068 0.0190 0.0128 1817 GLN 121 OE1 -0.0052 0.0206 0.0173 1818 GLN 121 NE2 -0.0116 0.0207 0.0106 1819 GLN 121 1HE2 -0.0129 0.0195 0.0070 1820 GLN 121 2HE2 -0.0141 0.0233 0.0126 1821 GLN 121 C 0.0042 0.0060 0.0016 1822 GLN 121 O 0.0074 0.0063 0.0056 1823 ALA 122 N 0.0021 0.0070 -0.0017 1824 ALA 122 H 0.0004 0.0071 -0.0042 1825 ALA 122 CA 0.0057 0.0050 -0.0017 1826 ALA 122 HA 0.0061 0.0056 0.0009 1827 ALA 122 CB 0.0052 0.0041 -0.0051 1828 ALA 122 HB1 0.0051 0.0033 -0.0079 1829 ALA 122 HB2 0.0075 0.0029 -0.0048 1830 ALA 122 HB3 0.0027 0.0055 -0.0052 1831 ALA 122 C 0.0089 0.0031 -0.0019 1832 ALA 122 O 0.0118 0.0021 0.0001 1833 TRP 123 N 0.0006 0.0023 -0.0039 1834 TRP 123 H 0.0011 0.0029 -0.0043 1835 TRP 123 CA 0.0025 0.0011 -0.0041 1836 TRP 123 HA 0.0023 0.0018 -0.0042 1837 TRP 123 CB 0.0050 0.0019 -0.0051 1838 TRP 123 HB1 0.0053 0.0014 -0.0051 1839 TRP 123 HB2 0.0063 0.0006 -0.0051 1840 TRP 123 CG 0.0051 0.0044 -0.0061 1841 TRP 123 CD1 0.0047 0.0063 -0.0066 1842 TRP 123 HD1 0.0043 0.0061 -0.0064 1843 TRP 123 CD2 0.0053 0.0053 -0.0065 1844 TRP 123 NE1 0.0047 0.0083 -0.0074 1845 TRP 123 HE1 0.0039 0.0098 -0.0077 1846 TRP 123 CE2 0.0053 0.0078 -0.0074 1847 TRP 123 CE3 0.0058 0.0043 -0.0063 1848 TRP 123 HE3 0.0057 0.0024 -0.0056 1849 TRP 123 CZ2 0.0051 0.0092 -0.0078 1850 TRP 123 HZ2 0.0045 0.0110 -0.0083 1851 TRP 123 CZ3 0.0057 0.0057 -0.0067 1852 TRP 123 HZ3 0.0059 0.0049 -0.0065 1853 TRP 123 CH2 0.0053 0.0081 -0.0075 1854 TRP 123 HH2 0.0050 0.0092 -0.0078 1855 TRP 123 C 0.0026 -0.0015 -0.0031 1856 TRP 123 O 0.0037 -0.0025 -0.0031 1857 ILE 124 N 0.0073 -0.0011 0.0005 1858 ILE 124 H 0.0065 0.0005 0.0002 1859 ILE 124 CA 0.0075 -0.0018 0.0020 1860 ILE 124 HA 0.0084 -0.0034 0.0019 1861 ILE 124 CB 0.0071 -0.0009 0.0010 1862 ILE 124 HB 0.0073 -0.0014 0.0021 1863 ILE 124 CG1 0.0058 0.0015 0.0010 1864 ILE 124 1HG1 0.0057 0.0020 -0.0007 1865 ILE 124 2HG1 0.0053 0.0021 0.0022 1866 ILE 124 CG2 0.0078 -0.0014 -0.0016 1867 ILE 124 1HG2 0.0076 -0.0007 -0.0027 1868 ILE 124 2HG2 0.0076 -0.0009 -0.0022 1869 ILE 124 3HG2 0.0087 -0.0031 -0.0015 1870 ILE 124 CD 0.0054 0.0023 0.0013 1871 ILE 124 HD1 0.0050 0.0024 0.0031 1872 ILE 124 HD2 0.0060 0.0014 0.0005 1873 ILE 124 HD3 0.0046 0.0038 0.0006 1874 ILE 124 C 0.0069 -0.0014 0.0046 1875 ILE 124 O 0.0070 -0.0018 0.0059 1876 ARG 125 N 0.0095 0.0035 0.0103 1877 ARG 125 H 0.0091 0.0010 0.0077 1878 ARG 125 CA 0.0129 0.0049 0.0157 1879 ARG 125 HA 0.0127 0.0084 0.0181 1880 ARG 125 CB 0.0128 0.0061 0.0165 1881 ARG 125 HB1 0.0125 0.0027 0.0135 1882 ARG 125 HB2 0.0157 0.0058 0.0200 1883 ARG 125 CG 0.0092 0.0115 0.0158 1884 ARG 125 HG1 0.0095 0.0146 0.0185 1885 ARG 125 HG2 0.0063 0.0120 0.0123 1886 ARG 125 CD 0.0090 0.0123 0.0162 1887 ARG 125 HD1 0.0095 0.0086 0.0139 1888 ARG 125 HD2 0.0113 0.0133 0.0199 1889 ARG 125 NE 0.0050 0.0159 0.0135 1890 ARG 125 HE 0.0033 0.0194 0.0139 1891 ARG 125 CZ 0.0027 0.0152 0.0099 1892 ARG 125 NH1 0.0041 0.0109 0.0086 1893 ARG 125 1HH1 0.0071 0.0084 0.0107 1894 ARG 125 2HH1 0.0021 0.0105 0.0057 1895 ARG 125 NH2 -0.0013 0.0190 0.0075 1896 ARG 125 1HH2 -0.0025 0.0227 0.0087 1897 ARG 125 2HH2 -0.0032 0.0182 0.0044 1898 ARG 125 C 0.0171 -0.0000 0.0175 1899 ARG 125 O 0.0177 -0.0047 0.0148 1900 GLY 126 N 0.0183 0.0010 0.0232 1901 GLY 126 H 0.0187 0.0046 0.0232 1902 GLY 126 CA 0.0181 -0.0045 0.0260 1903 GLY 126 HA1 0.0187 -0.0046 0.0305 1904 GLY 126 HA2 0.0179 -0.0072 0.0263 1905 GLY 126 C 0.0173 -0.0080 0.0226 1906 GLY 126 O 0.0171 -0.0123 0.0247 1907 CYS 127 N 0.0122 -0.0087 0.0095 1908 CYS 127 H 0.0129 -0.0068 0.0091 1909 CYS 127 CA 0.0117 -0.0104 0.0066 1910 CYS 127 HA 0.0108 -0.0129 0.0072 1911 CYS 127 CB 0.0119 -0.0098 0.0035 1912 CYS 127 HB1 0.0128 -0.0074 0.0025 1913 CYS 127 HB2 0.0114 -0.0114 0.0015 1914 CYS 127 SG 0.0116 -0.0106 0.0043 1915 CYS 127 C 0.0121 -0.0091 0.0057 1916 CYS 127 O 0.0131 -0.0063 0.0054 1917 ARG 128 N 0.0180 -0.0163 -0.0001 1918 ARG 128 H 0.0181 -0.0118 0.0006 1919 ARG 128 CA 0.0176 -0.0153 0.0014 1920 ARG 128 HA 0.0180 -0.0203 -0.0010 1921 ARG 128 CB 0.0194 -0.0080 -0.0023 1922 ARG 128 HB1 0.0197 -0.0033 -0.0022 1923 ARG 128 HB2 0.0184 -0.0056 0.0011 1924 ARG 128 CG 0.0219 -0.0096 -0.0101 1925 ARG 128 HG1 0.0225 -0.0136 -0.0129 1926 ARG 128 HG2 0.0233 -0.0044 -0.0131 1927 ARG 128 CD 0.0216 -0.0133 -0.0102 1928 ARG 128 HD1 0.0205 -0.0190 -0.0082 1929 ARG 128 HD2 0.0234 -0.0142 -0.0158 1930 ARG 128 NE 0.0206 -0.0085 -0.0061 1931 ARG 128 HE 0.0218 -0.0040 -0.0085 1932 ARG 128 CZ 0.0183 -0.0090 0.0006 1933 ARG 128 NH1 0.0166 -0.0151 0.0043 1934 ARG 128 1HH1 0.0169 -0.0197 0.0022 1935 ARG 128 2HH1 0.0148 -0.0153 0.0098 1936 ARG 128 NH2 0.0177 -0.0038 0.0037 1937 ARG 128 1HH2 0.0190 0.0005 0.0008 1938 ARG 128 2HH2 0.0160 -0.0046 0.0087 1939 ARG 128 C 0.0148 -0.0153 0.0096 1940 ARG 128 O 0.0140 -0.0099 0.0134 1941 LEU 129 N 0.0095 -0.0125 0.0037 1942 LEU 129 H 0.0091 -0.0117 0.0045 1943 LEU 129 CA 0.0100 -0.0121 0.0020 1944 LEU 129 HA 0.0104 -0.0132 0.0013 1945 LEU 129 CB 0.0099 -0.0104 0.0013 1946 LEU 129 HB1 0.0095 -0.0099 0.0022 1947 LEU 129 HB2 0.0099 -0.0096 0.0007 1948 LEU 129 CG 0.0104 -0.0107 -0.0002 1949 LEU 129 HG 0.0108 -0.0108 -0.0013 1950 LEU 129 CD1 0.0107 -0.0124 0.0001 1951 LEU 129 1HD1 0.0109 -0.0135 0.0001 1952 LEU 129 2HD1 0.0103 -0.0126 0.0012 1953 LEU 129 3HD1 0.0109 -0.0125 -0.0007 1954 LEU 129 CD2 0.0102 -0.0093 -0.0004 1955 LEU 129 1HD2 0.0105 -0.0093 -0.0014 1956 LEU 129 2HD2 0.0099 -0.0094 0.0006 1957 LEU 129 3HD2 0.0099 -0.0081 -0.0004 1958 LEU 129 C 0.0099 -0.0120 0.0021 1959 LEU 129 O1 0.0101 -0.0111 0.0010 1960 LEU 129 O2 0.0098 -0.0130 0.0031