============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 1 1.000 25.562 44.713 6.193 -99.200 -91.000 HIS 2 0.900 23.588 52.368 0.023 -99.200 -91.000 PHE 4 1.000 19.656 52.539 2.532 -99.200 -91.000 PHE 6 1.000 14.849 60.120 10.513 -99.200 -91.000 TYR 7 0.840 16.713 63.070 2.843 -99.200 -91.000 PHE 16 1.000 10.347 58.070 9.548 -99.200 -91.000 PHE 32 1.000 15.448 45.589 19.091 -99.200 -91.000 TYR 36 0.840 7.155 53.312 10.527 -99.200 -91.000 TYR 39 0.840 5.959 50.897 -1.183 -99.200 -91.000 PHE 55 1.000 21.788 51.137 14.295 -99.200 -91.000 HIS 66 0.900 21.082 29.121 5.844 -99.200 -91.000 PHE 75 1.000 24.770 51.189 8.291 -99.200 -91.000 TYR 86 0.840 16.956 44.002 9.647 -99.200 -91.000 TYR 88 0.840 7.230 43.574 2.486 -99.200 -91.000 TRP 108 1.040 1.730 18.161 9.376 -99.200 -91.000 TRP6 108 1.020 2.434 18.785 11.544 -99.200 -91.000 HIS 109 0.900 3.941 20.263 2.101 -99.200 -91.000 PHE 123 1.000 25.176 30.368 7.920 -99.200 -91.000 HIS 125 0.900 23.056 26.729 17.809 -99.200 -91.000 HIS 128 0.900 32.352 27.993 15.930 -99.200 -91.000 HIS 129 0.900 27.817 34.729 15.607 -99.200 -91.000 HIS 131 0.900 17.798 34.635 17.935 -99.200 -91.000 PHE 145 1.000 2.993 31.888 3.554 -99.200 -91.000 PHE 152 1.000 20.041 37.135 13.288 -99.200 -91.000 TYR 168 0.840 8.768 31.606 22.814 -99.200 -91.000 TYR 184 0.840 13.552 24.591 27.580 -99.200 -91.000 PHE 186 1.000 13.329 24.680 15.877 -99.200 -91.000 HIS 203 0.900 -7.402 35.503 30.946 -99.200 -91.000 TYR 226 0.840 -2.642 20.375 25.145 -99.200 -91.000 TYR 241 0.840 4.784 15.936 22.275 -99.200 -91.000 HIS 249 0.900 16.213 15.781 29.615 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2o8yA1 PHE 165 HA 0.01 0.16 0.23 -0.75 4.62 4.27 2o8yA1 PHE 165 HB2 0.05 -0.08 -0.01 -0.04 3.15 3.08 2o8yA1 PHE 165 HB3 -0.08 -0.22 0.09 -0.04 3.06 2.82 2o8yA1 PHE 165 HD2 0.10 -0.05 0.05 -0.04 7.28 7.33 2o8yA1 PHE 165 HE2 0.02 0.11 0.11 -0.04 7.38 7.57 2o8yA1 PHE 165 HZ -0.00 0.07 0.05 -0.04 7.32 7.40 2o8yA1 HIS 166 H -0.03 0.19 0.19 -0.55 8.41 8.22 2o8yA1 HIS 166 HA -0.10 0.02 0.70 -0.75 4.63 4.49 2o8yA1 HIS 166 HB2 -0.02 0.14 -0.30 -0.04 3.26 3.04 2o8yA1 HIS 166 HB3 0.05 -0.04 -0.04 -0.04 3.20 3.13 2o8yA1 HIS 166 HD2 -0.11 0.02 0.02 -0.04 6.97 6.86 2o8yA1 HIS 166 HE1 -0.64 -0.11 0.03 -0.04 7.75 6.99 2o8yA1 SER 167 H -0.44 0.11 0.15 -0.55 8.46 7.73 2o8yA1 SER 167 HA -0.40 0.12 0.63 -0.75 4.49 4.09 2o8yA1 SER 167 HB2 0.06 0.02 0.10 -0.04 3.95 4.09 2o8yA1 SER 167 HB3 -0.15 -0.02 0.09 -0.04 3.93 3.81 2o8yA1 PHE 168 H 0.27 0.32 0.43 -0.55 8.34 8.82 2o8yA1 PHE 168 HA 0.02 0.14 0.86 -0.75 4.62 4.89 2o8yA1 PHE 168 HB2 0.02 0.07 -0.13 -0.04 3.15 3.07 2o8yA1 PHE 168 HB3 -0.03 -0.02 -0.02 -0.04 3.06 2.95 2o8yA1 PHE 168 HD2 -0.09 -0.03 -0.19 -0.04 7.28 6.93 2o8yA1 PHE 168 HE2 -0.11 0.05 -0.11 -0.04 7.38 7.17 2o8yA1 PHE 168 HZ -0.23 0.02 -0.15 -0.04 7.32 6.93 2o8yA1 SER 169 H -0.01 0.14 0.14 -0.55 8.46 8.18 2o8yA1 SER 169 HA 0.07 0.13 0.70 -0.75 4.49 4.64 2o8yA1 SER 169 HB2 -0.08 0.12 0.08 -0.04 3.95 4.03 2o8yA1 SER 169 HB3 -0.50 -0.06 0.08 -0.04 3.93 3.41 2o8yA1 PHE 170 H 0.23 0.13 0.04 -0.55 8.34 8.18 2o8yA1 PHE 170 HA 0.08 0.21 0.34 -0.75 4.62 4.50 2o8yA1 PHE 170 HB2 0.08 0.38 -0.11 -0.04 3.15 3.46 2o8yA1 PHE 170 HB3 0.12 -0.18 0.10 -0.04 3.06 3.06 2o8yA1 PHE 170 HD2 0.14 0.03 -0.03 -0.04 7.28 7.38 2o8yA1 PHE 170 HE2 0.09 0.06 -0.06 -0.04 7.38 7.43 2o8yA1 PHE 170 HZ -0.04 0.05 -0.04 -0.04 7.32 7.25 2o8yA1 TYR 171 H 0.28 0.13 -0.00 -0.55 8.29 8.15 2o8yA1 TYR 171 HA -0.32 0.10 0.32 -0.75 4.56 3.90 2o8yA1 TYR 171 HB2 -0.06 0.08 0.03 -0.04 3.06 3.07 2o8yA1 TYR 171 HB3 0.05 0.03 0.10 -0.04 2.98 3.12 2o8yA1 TYR 171 HD2 0.02 -0.00 -0.18 -0.04 7.15 6.94 2o8yA1 TYR 171 HE2 0.02 0.05 -0.03 -0.04 6.85 6.85 2o8yA1 GLU 172 H -1.20 0.01 -0.53 -0.55 8.60 6.33 2o8yA1 GLU 172 HA -0.32 0.05 0.33 -0.75 4.29 3.59 2o8yA1 GLU 172 HB2 -0.61 -0.18 0.04 -0.04 2.09 1.30 2o8yA1 GLU 172 HB3 -0.13 0.27 0.05 -0.04 1.99 2.13 2o8yA1 GLU 172 HG2 -0.03 0.08 -0.04 -0.04 2.34 2.30 2o8yA1 GLU 172 HG3 -0.16 0.00 0.05 -0.04 2.34 2.19 2o8yA1 LEU 173 H -0.18 0.50 -0.28 -0.55 8.37 7.87 2o8yA1 LEU 173 HA -0.11 0.01 0.38 -0.75 4.35 3.88 2o8yA1 LEU 173 HB2 -0.06 0.16 0.03 -0.04 1.64 1.73 2o8yA1 LEU 173 HB3 -0.03 -0.02 -0.03 -0.04 1.64 1.52 2o8yA1 LEU 173 HG 0.04 0.06 -0.04 -0.04 1.64 1.66 2o8yA1 LEU 173 HD13 0.03 -0.00 -0.23 -0.04 0.93 0.68 2o8yA1 LEU 173 HD23 -0.22 -0.00 -0.16 -0.04 0.89 0.47 2o8yA1 LYS 174 H -0.42 0.30 -0.34 -0.55 8.42 7.40 2o8yA1 LYS 174 HA -1.76 0.06 0.53 -0.75 4.32 2.40 2o8yA1 LYS 174 HB2 -0.98 -0.01 -0.03 -0.04 1.87 0.80 2o8yA1 LYS 174 HB3 -0.40 0.03 0.22 -0.04 1.79 1.59 2o8yA1 LYS 174 HG2 -0.38 0.01 -0.19 -0.04 1.46 0.85 2o8yA1 LYS 174 HG3 -1.13 -0.04 -0.08 -0.04 1.46 0.18 2o8yA1 LYS 174 HD2 -0.01 0.06 -0.08 -0.04 1.69 1.62 2o8yA1 LYS 174 HD3 0.10 0.00 -0.08 -0.04 1.68 1.67 2o8yA1 LYS 174 HE2 -0.11 -0.11 0.00 -0.04 2.99 2.73 2o8yA1 LYS 174 HE3 -0.02 0.03 -0.03 -0.04 2.99 2.92 2o8yA1 ASN 175 H -0.20 0.78 0.08 -0.55 8.53 8.64 2o8yA1 ASN 175 HA -0.14 0.02 0.44 -0.75 4.76 4.32 2o8yA1 ASN 175 HB2 -0.02 0.13 0.12 -0.04 2.88 3.06 2o8yA1 ASN 175 HB3 -0.02 0.00 0.03 -0.04 2.79 2.76 2o8yA1 ASN 175 HD21 0.11 -0.05 -0.06 -0.04 7.03 6.99 2o8yA1 ASN 175 HD22 0.12 0.02 -0.04 -0.04 7.74 7.81 2o8yA1 VAL 176 H -0.14 0.40 -0.17 -0.55 8.24 7.78 2o8yA1 VAL 176 HA -0.00 0.10 0.46 -0.75 4.13 3.93 2o8yA1 VAL 176 HB -0.04 0.09 0.07 -0.04 2.12 2.20 2o8yA1 VAL 176 HG13 -0.11 -0.03 -0.08 -0.04 0.97 0.71 2o8yA1 VAL 176 HG23 -0.02 0.08 -0.16 -0.04 0.95 0.81 2o8yA1 THR 177 H -0.22 0.20 -0.53 -0.55 8.28 7.18 2o8yA1 THR 177 HA -0.03 0.40 0.72 -0.75 4.39 4.72 2o8yA1 THR 177 HB -0.10 -0.04 0.14 -0.04 4.32 4.28 2o8yA1 THR 177 HG23 0.01 0.03 -0.19 -0.04 1.22 1.02 2o8yA1 ASN 178 H -0.06 0.32 -0.61 -0.55 8.53 7.64 2o8yA1 ASN 178 HA -0.05 0.05 0.28 -0.75 4.76 4.29 2o8yA1 ASN 178 HB2 0.04 0.03 -0.20 -0.04 2.88 2.71 2o8yA1 ASN 178 HB3 0.01 0.08 0.14 -0.04 2.79 2.98 2o8yA1 ASN 178 HD21 0.00 -0.03 0.03 -0.04 7.03 6.99 2o8yA1 ASN 178 HD22 0.03 0.03 0.03 -0.04 7.74 7.79 2o8yA1 ASN 179 H -0.24 0.39 0.01 -0.55 8.53 8.14 2o8yA1 ASN 179 HA -0.43 -0.02 0.18 -0.75 4.76 3.74 2o8yA1 ASN 179 HB2 -0.11 -0.08 -0.16 -0.04 2.88 2.49 2o8yA1 ASN 179 HB3 -0.07 0.19 0.10 -0.04 2.79 2.96 2o8yA1 ASN 179 HD21 0.01 -0.06 -0.01 -0.04 7.03 6.93 2o8yA1 ASN 179 HD22 -0.01 0.04 0.02 -0.04 7.74 7.75 2o8yA1 PHE 180 H -0.65 0.13 -0.10 -0.55 8.34 7.17 2o8yA1 PHE 180 HA -0.73 0.05 0.21 -0.75 4.62 3.40 2o8yA1 PHE 180 HB2 -0.16 0.08 -0.11 -0.04 3.15 2.92 2o8yA1 PHE 180 HB3 -0.36 -0.01 0.09 -0.04 3.06 2.74 2o8yA1 PHE 180 HD2 -0.42 0.06 -0.08 -0.04 7.28 6.79 2o8yA1 PHE 180 HE2 -0.34 -0.01 -0.14 -0.04 7.38 6.84 2o8yA1 PHE 180 HZ -0.97 -0.02 -0.20 -0.04 7.32 6.09 2o8yA1 ASP 181 H -0.05 0.48 -0.22 -0.55 8.40 8.07 2o8yA1 ASP 181 HA 0.07 0.06 0.55 -0.75 4.63 4.56 2o8yA1 ASP 181 HB2 0.03 0.29 0.11 -0.04 2.71 3.10 2o8yA1 ASP 181 HB3 0.09 -0.05 0.23 -0.04 2.70 2.93 2o8yA1 GLU 182 H 0.16 0.26 0.20 -0.55 8.60 8.68 2o8yA1 GLU 182 HA 0.40 0.12 0.35 -0.75 4.29 4.41 2o8yA1 GLU 182 HB2 0.13 -0.03 0.01 -0.04 2.09 2.15 2o8yA1 GLU 182 HB3 0.21 -0.00 0.08 -0.04 1.99 2.23 2o8yA1 GLU 182 HG2 0.19 0.23 0.19 -0.04 2.34 2.91 2o8yA1 GLU 182 HG3 0.12 -0.05 0.09 -0.04 2.34 2.46 2o8yA1 ARG 183 H 0.12 0.01 -0.46 -0.55 8.46 7.57 2o8yA1 ARG 183 HA 0.06 0.15 0.56 -0.75 4.34 4.35 2o8yA1 ARG 183 HB2 0.06 -0.04 -0.01 -0.04 1.90 1.87 2o8yA1 ARG 183 HB3 0.05 0.07 -0.03 -0.04 1.80 1.85 2o8yA1 ARG 183 HG2 0.05 0.02 -0.04 -0.04 1.67 1.66 2o8yA1 ARG 183 HG3 0.06 -0.07 0.00 -0.04 1.67 1.62 2o8yA1 ARG 183 HD2 0.04 0.03 -0.05 -0.04 3.22 3.20 2o8yA1 ARG 183 HD3 0.04 -0.02 -0.02 -0.04 3.22 3.17 2o8yA1 PRO 184 HA 0.04 0.36 0.44 -0.51 4.44 4.77 2o8yA1 PRO 184 HB2 0.03 -0.09 0.04 -0.04 2.28 2.22 2o8yA1 PRO 184 HB3 0.03 0.11 0.13 -0.04 2.02 2.24 2o8yA1 PRO 184 HG2 0.03 -0.08 0.07 -0.04 2.03 2.01 2o8yA1 PRO 184 HG3 0.03 0.08 0.08 -0.04 2.03 2.18 2o8yA1 PRO 184 HD2 0.04 0.05 0.23 -0.04 3.68 3.96 2o8yA1 PRO 184 HD3 0.04 0.22 0.21 -0.04 3.65 4.08 2o8yA1 ILE 185 H 0.05 0.44 0.15 -0.55 8.25 8.34 2o8yA1 ILE 185 HA 0.06 0.23 0.32 -0.75 4.18 4.03 2o8yA1 ILE 185 HB 0.05 -0.03 0.07 -0.04 1.89 1.94 2o8yA1 ILE 185 HG12 0.06 0.27 -0.01 -0.04 1.49 1.76 2o8yA1 ILE 185 HG13 0.07 -0.01 -0.02 -0.04 1.21 1.22 2o8yA1 ILE 185 HG23 0.06 0.02 -0.06 -0.04 0.93 0.92 2o8yA1 ILE 185 HD13 0.06 0.06 -0.09 -0.04 0.88 0.87 2o8yA1 SER 186 H 0.04 0.09 -0.17 -0.55 8.46 7.87 2o8yA1 SER 186 HA 0.03 0.14 0.42 -0.75 4.49 4.33 2o8yA1 SER 186 HB2 0.03 0.05 0.07 -0.04 3.95 4.06 2o8yA1 SER 186 HB3 0.03 0.04 0.08 -0.04 3.93 4.04 2o8yA1 VAL 187 H 0.03 0.21 -0.44 -0.55 8.24 7.50 2o8yA1 VAL 187 HA 0.02 0.17 0.74 -0.75 4.13 4.31 2o8yA1 VAL 187 HB 0.03 0.05 -0.03 -0.04 2.12 2.13 2o8yA1 VAL 187 HG13 0.02 -0.01 0.06 -0.04 0.97 1.00 2o8yA1 VAL 187 HG23 0.03 -0.02 -0.06 -0.04 0.95 0.85 2o8yA1 GLY 188 H 0.04 0.19 -0.29 -0.55 8.43 7.82 2o8yA1 GLY 188 HA2 0.03 0.06 0.27 -0.51 4.01 3.85 2o8yA1 GLY 188 HA3 0.03 0.12 0.88 -0.51 4.01 4.53 2o8yA1 GLY 189 H 0.05 0.31 -0.00 -0.55 8.43 8.24 2o8yA1 GLY 189 HA2 0.06 0.13 0.66 -0.51 4.01 4.36 2o8yA1 GLY 189 HA3 0.07 0.09 0.17 -0.51 4.01 3.83 2o8yA1 ASN 190 H 0.13 0.22 0.18 -0.55 8.53 8.51 2o8yA1 ASN 190 HA 0.10 0.14 0.91 -0.75 4.76 5.16 2o8yA1 ASN 190 HB2 0.15 0.07 0.19 -0.04 2.88 3.24 2o8yA1 ASN 190 HB3 0.14 -0.04 0.27 -0.04 2.79 3.11 2o8yA1 ASN 190 HD21 0.25 -0.09 -0.12 -0.04 7.03 7.03 2o8yA1 ASN 190 HD22 0.07 0.35 0.12 -0.04 7.74 8.24 2o8yA1 LYS 191 H 0.11 0.50 -0.04 -0.55 8.42 8.44 2o8yA1 LYS 191 HA -0.05 0.24 0.58 -0.75 4.32 4.33 2o8yA1 LYS 191 HB2 0.12 -0.16 -0.29 -0.04 1.87 1.50 2o8yA1 LYS 191 HB3 0.05 -0.15 -0.70 -0.04 1.79 0.95 2o8yA1 LYS 191 HG2 -0.21 0.10 -0.05 -0.04 1.46 1.26 2o8yA1 LYS 191 HG3 -0.02 0.04 -0.06 -0.04 1.46 1.38 2o8yA1 LYS 191 HD2 -0.00 -0.11 -0.21 -0.04 1.69 1.32 2o8yA1 LYS 191 HD3 -0.03 0.06 -1.24 -0.04 1.68 0.42 2o8yA1 LYS 191 HE2 -0.03 -0.13 -0.25 -0.04 2.99 2.54 2o8yA1 LYS 191 HE3 -0.09 0.31 -0.51 -0.04 2.99 2.66 2o8yA1 GLY 193 HA2 -0.03 -0.10 0.28 -0.51 4.01 3.66 2o8yA1 GLY 193 HA3 -0.04 -0.01 0.26 -0.51 4.01 3.71 2o8yA1 GLU 194 H -0.03 0.04 0.09 -0.55 8.60 8.16 2o8yA1 GLU 194 HA -0.04 0.34 0.81 -0.75 4.29 4.65 2o8yA1 GLU 194 HB2 -0.03 -0.01 -0.17 -0.04 2.09 1.84 2o8yA1 GLU 194 HB3 -0.01 -0.08 0.10 -0.04 1.99 1.96 2o8yA1 GLU 194 HG2 -0.00 -0.11 0.03 -0.04 2.34 2.22 2o8yA1 GLU 194 HG3 -0.04 0.08 -0.00 -0.04 2.34 2.34 2o8yA1 GLY 195 H 0.00 0.04 0.05 -0.55 8.43 7.98 2o8yA1 GLY 195 HA2 0.01 -0.05 0.39 -0.51 4.01 3.84 2o8yA1 GLY 195 HA3 -0.00 0.06 0.44 -0.51 4.01 3.99 2o8yA1 GLY 196 H 0.00 0.03 0.11 -0.55 8.43 8.03 2o8yA1 GLY 196 HA2 0.02 0.01 0.30 -0.51 4.01 3.84 2o8yA1 GLY 196 HA3 -0.03 -0.04 0.35 -0.51 4.01 3.78 2o8yA1 PHE 197 H 0.03 0.02 0.12 -0.55 8.34 7.95 2o8yA1 PHE 197 HA 0.02 -0.06 0.34 -0.75 4.62 4.16 2o8yA1 PHE 197 HB2 0.01 0.01 0.05 -0.04 3.15 3.18 2o8yA1 PHE 197 HB3 0.04 0.08 -0.15 -0.04 3.06 2.98 2o8yA1 PHE 197 HD2 0.02 0.02 -0.02 -0.04 7.28 7.26 2o8yA1 PHE 197 HE2 0.03 -0.06 -0.05 -0.04 7.38 7.25 2o8yA1 PHE 197 HZ 0.03 -0.04 -0.07 -0.04 7.32 7.20 2o8yA1 GLY 198 H 0.14 0.36 -0.27 -0.55 8.43 8.12 2o8yA1 GLY 198 HA2 0.05 -0.06 0.28 -0.51 4.01 3.78 2o8yA1 GLY 198 HA3 0.06 0.41 0.76 -0.51 4.01 4.73 2o8yA1 VAL 199 H 0.02 0.13 0.22 -0.55 8.24 8.06 2o8yA1 VAL 199 HA -0.13 0.35 1.04 -0.75 4.13 4.64 2o8yA1 VAL 199 HB -0.28 -0.09 0.07 -0.04 2.12 1.79 2o8yA1 VAL 199 HG13 -0.66 0.04 -0.03 -0.04 0.97 0.27 2o8yA1 VAL 199 HG23 0.00 -0.03 0.01 -0.04 0.95 0.89 2o8yA1 VAL 200 H -0.24 0.72 0.31 -0.55 8.24 8.48 2o8yA1 VAL 200 HA -0.00 0.25 0.93 -0.75 4.13 4.55 2o8yA1 VAL 200 HB -0.05 0.09 0.15 -0.04 2.12 2.27 2o8yA1 VAL 200 HG13 0.05 -0.04 -0.32 -0.04 0.97 0.62 2o8yA1 VAL 200 HG23 0.03 -0.02 -0.23 -0.04 0.95 0.70 2o8yA1 TYR 201 H 0.22 0.60 0.26 -0.55 8.29 8.83 2o8yA1 TYR 201 HA 0.04 0.36 1.16 -0.75 4.56 5.37 2o8yA1 TYR 201 HB2 0.08 -0.12 0.05 -0.04 3.06 3.02 2o8yA1 TYR 201 HB3 0.05 0.12 0.05 -0.04 2.98 3.16 2o8yA1 TYR 201 HD2 0.10 0.20 -0.21 -0.04 7.15 7.20 2o8yA1 TYR 201 HE2 0.04 -0.05 -0.27 -0.04 6.85 6.53 2o8yA1 LYS 202 H 0.08 0.63 0.36 -0.55 8.42 8.93 2o8yA1 LYS 202 HA -0.11 0.12 0.66 -0.75 4.32 4.24 2o8yA1 LYS 202 HB2 -0.04 -0.00 0.13 -0.04 1.87 1.92 2o8yA1 LYS 202 HB3 -0.11 -0.00 0.23 -0.04 1.79 1.86 2o8yA1 LYS 202 HG2 -0.80 0.01 -0.13 -0.04 1.46 0.49 2o8yA1 LYS 202 HG3 -0.70 0.01 0.08 -0.04 1.46 0.80 2o8yA1 LYS 202 HD2 -0.15 -0.00 0.01 -0.04 1.69 1.51 2o8yA1 LYS 202 HD3 -0.08 0.03 0.01 -0.04 1.68 1.60 2o8yA1 LYS 202 HE2 -0.29 -0.02 -0.03 -0.04 2.99 2.61 2o8yA1 LYS 202 HE3 -0.85 -0.02 -0.01 -0.04 2.99 2.08 2o8yA1 GLY 203 H -0.25 0.40 0.30 -0.55 8.43 8.34 2o8yA1 GLY 203 HA2 -0.20 0.35 0.75 -0.51 4.01 4.40 2o8yA1 GLY 203 HA3 -0.15 -0.06 0.16 -0.51 4.01 3.44 2o8yA1 TYR 204 H -0.01 0.35 0.07 -0.55 8.29 8.16 2o8yA1 TYR 204 HA -0.07 0.12 0.65 -0.75 4.56 4.52 2o8yA1 TYR 204 HB2 -0.05 0.05 0.21 -0.04 3.06 3.22 2o8yA1 TYR 204 HB3 -0.05 -0.10 0.00 -0.04 2.98 2.80 2o8yA1 TYR 204 HD2 -0.07 0.05 -0.03 -0.04 7.15 7.06 2o8yA1 TYR 204 HE2 -0.08 0.03 -0.06 -0.04 6.85 6.70 2o8yA1 VAL 205 H 0.00 0.51 -0.31 -0.55 8.24 7.90 2o8yA1 VAL 205 HA 0.03 0.14 0.92 -0.75 4.13 4.47 2o8yA1 VAL 205 HB 0.01 0.19 0.08 -0.04 2.12 2.37 2o8yA1 VAL 205 HG13 0.07 -0.00 -0.14 -0.04 0.97 0.86 2o8yA1 VAL 205 HG23 0.02 -0.02 -0.21 -0.04 0.95 0.70 2o8yA1 ASN 206 H 0.02 0.20 0.04 -0.55 8.53 8.24 2o8yA1 ASN 206 HA 0.00 0.04 0.31 -0.75 4.76 4.36 2o8yA1 ASN 206 HB2 -0.01 0.14 -0.38 -0.04 2.88 2.60 2o8yA1 ASN 206 HB3 -0.00 0.03 0.33 -0.04 2.79 3.11 2o8yA1 ASN 206 HD21 -0.03 -0.01 -0.02 -0.04 7.03 6.93 2o8yA1 ASN 206 HD22 -0.03 0.03 -0.11 -0.04 7.74 7.59 2o8yA1 ASN 207 H 0.03 0.08 -0.23 -0.55 8.53 7.87 2o8yA1 ASN 207 HA 0.04 0.01 0.22 -0.75 4.76 4.28 2o8yA1 ASN 207 HB2 0.01 0.32 0.14 -0.04 2.88 3.31 2o8yA1 ASN 207 HB3 0.01 -0.01 0.12 -0.04 2.79 2.87 2o8yA1 ASN 207 HD21 -0.01 -0.02 -0.04 -0.04 7.03 6.93 2o8yA1 ASN 207 HD22 0.00 0.02 -0.00 -0.04 7.74 7.72 2o8yA1 THR 208 H 0.02 0.27 -1.37 -0.55 8.28 6.65 2o8yA1 THR 208 HA 0.01 0.12 0.73 -0.75 4.39 4.50 2o8yA1 THR 208 HB 0.00 0.26 0.18 -0.04 4.32 4.72 2o8yA1 THR 208 HG23 0.00 -0.02 -0.13 -0.04 1.22 1.03 2o8yA1 THR 209 H -0.02 0.23 0.10 -0.55 8.28 8.04 2o8yA1 THR 209 HA -0.23 0.32 0.58 -0.75 4.39 4.30 2o8yA1 THR 209 HB -0.20 -0.07 0.12 -0.04 4.32 4.13 2o8yA1 THR 209 HG23 -0.85 0.06 0.04 -0.04 1.22 0.43 2o8yA1 VAL 210 H -0.19 0.23 0.28 -0.55 8.24 8.01 2o8yA1 VAL 210 HA 0.02 0.17 0.95 -0.75 4.13 4.51 2o8yA1 VAL 210 HB -0.08 0.01 0.11 -0.04 2.12 2.12 2o8yA1 VAL 210 HG13 -0.06 0.07 -0.16 -0.04 0.97 0.78 2o8yA1 VAL 210 HG23 -0.12 -0.04 -0.19 -0.04 0.95 0.56 2o8yA1 ALA 211 H 0.03 0.47 0.10 -0.55 8.40 8.45 2o8yA1 ALA 211 HA 0.10 0.22 0.81 -0.75 4.34 4.72 2o8yA1 ALA 211 HB3 0.14 -0.02 -0.07 -0.04 1.41 1.42 2o8yA1 VAL 212 H 0.08 0.80 0.16 -0.55 8.24 8.72 2o8yA1 VAL 212 HA 0.02 0.21 0.87 -0.75 4.13 4.47 2o8yA1 VAL 212 HB 0.21 -0.03 0.21 -0.04 2.12 2.47 2o8yA1 VAL 212 HG13 0.12 -0.01 -0.17 -0.04 0.97 0.87 2o8yA1 VAL 212 HG23 -0.03 0.02 -0.13 -0.04 0.95 0.76 2o8yA1 LYS 213 H 0.10 0.72 0.32 -0.55 8.42 9.00 2o8yA1 LYS 213 HA 0.11 0.24 0.76 -0.75 4.32 4.67 2o8yA1 LYS 213 HB2 0.21 -0.02 -0.04 -0.04 1.87 1.97 2o8yA1 LYS 213 HB3 0.19 -0.06 0.15 -0.04 1.79 2.04 2o8yA1 LYS 213 HG2 0.08 0.02 -0.43 -0.04 1.46 1.09 2o8yA1 LYS 213 HG3 0.11 0.09 -0.25 -0.04 1.46 1.37 2o8yA1 LYS 213 HD2 0.21 -0.05 -0.12 -0.04 1.69 1.68 2o8yA1 LYS 213 HD3 0.17 -0.03 -0.17 -0.04 1.68 1.60 2o8yA1 LYS 213 HE2 0.11 0.07 -0.14 -0.04 2.99 2.99 2o8yA1 LYS 213 HE3 0.18 0.01 -0.11 -0.04 2.99 3.04 2o8yA1 LYS 214 H 0.14 0.74 0.32 -0.55 8.42 9.07 2o8yA1 LYS 214 HA 0.09 0.14 0.82 -0.75 4.32 4.61 2o8yA1 LYS 214 HB2 0.16 -0.01 -0.02 -0.04 1.87 1.97 2o8yA1 LYS 214 HB3 0.15 -0.00 0.13 -0.04 1.79 2.03 2o8yA1 LYS 214 HG2 -0.03 -0.08 -0.14 -0.04 1.46 1.18 2o8yA1 LYS 214 HG3 0.05 0.05 -0.13 -0.04 1.46 1.38 2o8yA1 LYS 214 HD2 -0.34 -0.10 -0.06 -0.04 1.69 1.16 2o8yA1 LYS 214 HD3 -0.77 0.00 -0.08 -0.04 1.68 0.79 2o8yA1 LYS 214 HE2 -0.53 -0.01 -0.03 -0.04 2.99 2.37 2o8yA1 LYS 214 HE3 0.07 0.06 -0.02 -0.04 2.99 3.06 2o8yA1 LEU 215 H -0.01 0.67 0.16 -0.55 8.37 8.65 2o8yA1 LEU 215 HA -0.03 0.31 0.41 -0.75 4.35 4.29 2o8yA1 LEU 215 HB2 -0.10 -0.19 0.21 -0.04 1.64 1.52 2o8yA1 LEU 215 HB3 -0.08 -0.00 0.18 -0.04 1.64 1.70 2o8yA1 LEU 215 HG -0.06 0.44 -0.01 -0.04 1.64 1.96 2o8yA1 LEU 215 HD13 -0.22 -0.04 0.03 -0.04 0.93 0.66 2o8yA1 LEU 215 HD23 -0.09 -0.01 -0.24 -0.04 0.89 0.51 2o8yA1 LEU 226 HA 0.07 0.00 0.25 -0.75 4.35 3.92 2o8yA1 LEU 226 HB2 0.03 0.05 0.44 -0.04 1.64 2.11 2o8yA1 LEU 226 HB3 -0.01 -0.01 0.12 -0.04 1.64 1.70 2o8yA1 LEU 226 HG -0.06 -0.03 0.22 -0.04 1.64 1.73 2o8yA1 LEU 226 HD13 0.00 0.01 -0.57 -0.04 0.93 0.33 2o8yA1 LEU 226 HD23 -0.03 0.01 -1.27 -0.04 0.89 -0.44 2o8yA1 LYS 227 H 0.01 0.26 0.17 -0.55 8.42 8.31 2o8yA1 LYS 227 HA 0.00 0.14 0.67 -0.75 4.32 4.39 2o8yA1 LYS 227 HB2 -0.05 0.03 0.12 -0.04 1.87 1.93 2o8yA1 LYS 227 HB3 -0.00 0.02 0.09 -0.04 1.79 1.85 2o8yA1 LYS 227 HG2 -0.03 0.01 0.04 -0.04 1.46 1.44 2o8yA1 LYS 227 HG3 0.02 -0.00 0.02 -0.04 1.46 1.46 2o8yA1 LYS 227 HD2 -0.06 -0.03 0.16 -0.04 1.69 1.72 2o8yA1 LYS 227 HD3 -0.16 0.03 0.06 -0.04 1.68 1.57 2o8yA1 LYS 227 HE2 -0.05 0.01 0.03 -0.04 2.99 2.94 2o8yA1 LYS 227 HE3 0.06 -0.01 0.03 -0.04 2.99 3.04 2o8yA1 GLN 228 H 0.04 0.18 -0.05 -0.55 8.47 8.09 2o8yA1 GLN 228 HA 0.05 0.16 0.62 -0.75 4.36 4.43 2o8yA1 GLN 228 HB2 0.03 -0.00 0.09 -0.04 2.15 2.23 2o8yA1 GLN 228 HB3 0.05 0.03 0.07 -0.04 2.02 2.13 2o8yA1 GLN 228 HG2 0.04 0.05 -0.11 -0.04 2.40 2.34 2o8yA1 GLN 228 HG3 0.03 -0.00 0.05 -0.04 2.39 2.43 2o8yA1 GLN 228 HE21 0.02 0.01 -0.00 -0.04 6.97 6.96 2o8yA1 GLN 228 HE22 0.02 -0.02 0.00 -0.04 7.69 7.65 2o8yA1 GLN 229 H 0.08 0.09 -0.20 -0.55 8.47 7.90 2o8yA1 GLN 229 HA 0.09 0.25 0.54 -0.75 4.36 4.48 2o8yA1 GLN 229 HB2 0.12 0.06 0.03 -0.04 2.15 2.31 2o8yA1 GLN 229 HB3 0.20 -0.06 0.02 -0.04 2.02 2.14 2o8yA1 GLN 229 HG2 0.12 0.29 0.04 -0.04 2.40 2.80 2o8yA1 GLN 229 HG3 0.10 -0.09 0.02 -0.04 2.39 2.38 2o8yA1 GLN 229 HE21 0.13 -0.02 -0.02 -0.04 6.97 7.02 2o8yA1 GLN 229 HE22 0.10 -0.00 0.00 -0.04 7.69 7.75 2o8yA1 PHE 230 H 0.16 0.21 -0.38 -0.55 8.34 7.77 2o8yA1 PHE 230 HA -0.09 0.06 0.41 -0.75 4.62 4.24 2o8yA1 PHE 230 HB2 -0.10 0.09 0.11 -0.04 3.15 3.21 2o8yA1 PHE 230 HB3 -0.07 0.06 0.09 -0.04 3.06 3.09 2o8yA1 PHE 230 HD2 -0.12 0.02 -0.13 -0.04 7.28 7.00 2o8yA1 PHE 230 HE2 -0.16 0.03 -0.19 -0.04 7.38 7.03 2o8yA1 PHE 230 HZ -0.05 -0.06 -0.03 -0.04 7.32 7.13 2o8yA1 ASP 231 H 0.10 0.15 -0.53 -0.55 8.40 7.57 2o8yA1 ASP 231 HA -0.08 0.07 0.45 -0.75 4.63 4.31 2o8yA1 ASP 231 HB2 0.04 0.12 0.18 -0.04 2.71 3.01 2o8yA1 ASP 231 HB3 0.02 -0.03 0.00 -0.04 2.70 2.65 2o8yA1 GLN 232 H 0.03 0.36 -0.13 -0.55 8.47 8.18 2o8yA1 GLN 232 HA 0.03 0.05 0.42 -0.75 4.36 4.11 2o8yA1 GLN 232 HB2 0.05 0.05 0.12 -0.04 2.15 2.33 2o8yA1 GLN 232 HB3 0.07 -0.03 0.20 -0.04 2.02 2.21 2o8yA1 GLN 232 HG2 0.07 0.12 -0.14 -0.04 2.40 2.41 2o8yA1 GLN 232 HG3 0.07 0.00 -0.21 -0.04 2.39 2.21 2o8yA1 GLN 232 HE21 0.09 -0.16 -0.05 -0.04 6.97 6.81 2o8yA1 GLN 232 HE22 0.09 0.42 -0.11 -0.04 7.69 8.05 2o8yA1 GLU 233 H 0.03 0.40 -0.15 -0.55 8.60 8.34 2o8yA1 GLU 233 HA 0.13 -0.01 0.17 -0.75 4.29 3.82 2o8yA1 GLU 233 HB2 0.13 -0.14 -0.04 -0.04 2.09 2.00 2o8yA1 GLU 233 HB3 -0.04 0.15 0.02 -0.04 1.99 2.08 2o8yA1 GLU 233 HG2 0.16 -0.00 -0.10 -0.04 2.34 2.36 2o8yA1 GLU 233 HG3 0.08 0.12 -0.42 -0.04 2.34 2.08 2o8yA1 ILE 234 H -0.10 0.21 -0.57 -0.55 8.25 7.24 2o8yA1 ILE 234 HA 0.07 0.07 0.43 -0.75 4.18 4.00 2o8yA1 ILE 234 HB -0.13 0.08 0.04 -0.04 1.89 1.83 2o8yA1 ILE 234 HG12 -0.17 -0.02 -0.06 -0.04 1.49 1.19 2o8yA1 ILE 234 HG13 -0.38 0.01 -0.03 -0.04 1.21 0.78 2o8yA1 ILE 234 HG23 0.22 -0.01 -0.10 -0.04 0.93 0.99 2o8yA1 ILE 234 HD13 -0.68 -0.03 -0.05 -0.04 0.88 0.08 2o8yA1 LYS 235 H 0.01 0.33 -0.22 -0.55 8.42 7.99 2o8yA1 LYS 235 HA 0.04 -0.00 0.50 -0.75 4.32 4.10 2o8yA1 LYS 235 HB2 0.02 0.05 0.13 -0.04 1.87 2.03 2o8yA1 LYS 235 HB3 0.03 0.05 0.15 -0.04 1.79 1.99 2o8yA1 LYS 235 HG2 0.05 0.00 -0.12 -0.04 1.46 1.34 2o8yA1 LYS 235 HG3 0.03 -0.05 0.03 -0.04 1.46 1.43 2o8yA1 LYS 235 HD2 0.03 -0.04 -0.03 -0.04 1.69 1.60 2o8yA1 LYS 235 HD3 0.04 0.01 -0.04 -0.04 1.68 1.64 2o8yA1 LYS 235 HE2 0.03 -0.02 -0.02 -0.04 2.99 2.93 2o8yA1 LYS 235 HE3 0.03 -0.05 -0.03 -0.04 2.99 2.89 2o8yA1 VAL 236 H 0.01 0.63 -0.14 -0.55 8.24 8.18 2o8yA1 VAL 236 HA -0.12 0.01 0.23 -0.75 4.13 3.50 2o8yA1 VAL 236 HB -0.05 0.07 0.02 -0.04 2.12 2.11 2o8yA1 VAL 236 HG13 -0.40 -0.03 -0.02 -0.04 0.97 0.48 2o8yA1 VAL 236 HG23 -0.03 -0.00 -0.14 -0.04 0.95 0.74 2o8yA1 ALA 238 HA -0.23 -0.08 0.34 -0.75 4.34 3.61 2o8yA1 ALA 238 HB3 -0.05 0.09 0.04 -0.04 1.41 1.44 2o8yA1 LYS 239 H -0.01 0.39 -0.24 -0.55 8.42 8.00 2o8yA1 LYS 239 HA 0.01 0.17 1.07 -0.75 4.32 4.81 2o8yA1 LYS 239 HB2 0.04 0.06 0.12 -0.04 1.87 2.05 2o8yA1 LYS 239 HB3 0.04 -0.08 0.24 -0.04 1.79 1.95 2o8yA1 LYS 239 HG2 -0.01 0.02 -0.19 -0.04 1.46 1.24 2o8yA1 LYS 239 HG3 0.01 -0.08 -0.00 -0.04 1.46 1.35 2o8yA1 LYS 239 HD2 0.00 -0.09 0.03 -0.04 1.69 1.60 2o8yA1 LYS 239 HD3 -0.02 0.27 0.00 -0.04 1.68 1.89 2o8yA1 LYS 239 HE2 -0.02 -0.08 -0.03 -0.04 2.99 2.82 2o8yA1 LYS 239 HE3 -0.04 -0.05 -0.01 -0.04 2.99 2.86 2o8yA1 CYS 240 H 0.02 0.29 -0.29 -0.55 8.50 7.97 2o8yA1 CYS 240 HA 0.35 0.08 0.68 -0.75 4.58 4.93 2o8yA1 CYS 240 HB2 -0.14 0.23 0.07 -0.04 2.97 3.09 2o8yA1 CYS 240 HB3 0.06 -0.12 0.02 -0.04 2.97 2.89 2o8yA1 GLN 241 H 0.18 0.20 -0.02 -0.55 8.47 8.29 2o8yA1 GLN 241 HA -0.03 0.21 0.86 -0.75 4.36 4.64 2o8yA1 GLN 241 HB2 0.02 -0.04 0.09 -0.04 2.15 2.18 2o8yA1 GLN 241 HB3 -0.02 -0.03 -0.04 -0.04 2.02 1.89 2o8yA1 GLN 241 HG2 0.04 0.07 -0.11 -0.04 2.40 2.36 2o8yA1 GLN 241 HG3 0.03 0.02 -0.16 -0.04 2.39 2.24 2o8yA1 GLN 241 HE21 -0.01 -0.05 0.01 -0.04 6.97 6.88 2o8yA1 GLN 241 HE22 -0.01 0.12 0.02 -0.04 7.69 7.78 2o8yA1 HIS 242 H -0.11 0.44 0.14 -0.55 8.41 8.33 2o8yA1 HIS 242 HA -0.39 0.09 0.61 -0.75 4.63 4.18 2o8yA1 HIS 242 HB2 -1.90 0.16 -0.34 -0.04 3.26 1.14 2o8yA1 HIS 242 HB3 -0.55 0.02 -0.17 -0.04 3.20 2.46 2o8yA1 HIS 242 HD2 -0.46 0.07 0.05 -0.04 6.97 6.59 2o8yA1 HIS 242 HE1 -0.08 0.05 -0.15 -0.04 7.75 7.53 2o8yA1 GLU 243 H -0.91 0.15 0.11 -0.55 8.60 7.41 2o8yA1 GLU 243 HA -0.18 0.09 0.40 -0.75 4.29 3.85 2o8yA1 GLU 243 HB2 -0.37 -0.01 0.13 -0.04 2.09 1.80 2o8yA1 GLU 243 HB3 -0.44 -0.00 0.06 -0.04 1.99 1.57 2o8yA1 GLU 243 HG2 -0.11 0.04 -0.11 -0.04 2.34 2.13 2o8yA1 GLU 243 HG3 -0.12 -0.01 0.05 -0.04 2.34 2.22 2o8yA1 ASN 244 H 0.42 -0.00 -0.33 -0.55 8.53 8.07 2o8yA1 ASN 244 HA 0.02 0.41 0.92 -0.75 4.76 5.36 2o8yA1 ASN 244 HB2 0.18 -0.10 -0.02 -0.04 2.88 2.90 2o8yA1 ASN 244 HB3 0.04 0.00 0.13 -0.04 2.79 2.92 2o8yA1 ASN 244 HD21 0.00 -0.12 -0.03 -0.04 7.03 6.84 2o8yA1 ASN 244 HD22 0.01 0.50 0.01 -0.04 7.74 8.22 2o8yA1 LEU 245 H 0.04 0.49 -0.35 -0.55 8.37 8.00 2o8yA1 LEU 245 HA 0.14 0.12 0.92 -0.75 4.35 4.78 2o8yA1 LEU 245 HB2 0.01 0.01 0.03 -0.04 1.64 1.64 2o8yA1 LEU 245 HB3 0.10 0.11 0.03 -0.04 1.64 1.84 2o8yA1 LEU 245 HG 0.02 -0.22 -0.32 -0.04 1.64 1.08 2o8yA1 LEU 245 HD13 0.07 0.00 -0.22 -0.04 0.93 0.75 2o8yA1 LEU 245 HD23 0.23 0.05 -0.10 -0.04 0.89 1.03 2o8yA1 VAL 246 H 0.14 0.49 0.04 -0.55 8.24 8.37 2o8yA1 VAL 246 HA 0.02 0.00 0.34 -0.75 4.13 3.74 2o8yA1 VAL 246 HB -0.03 -0.02 0.01 -0.04 2.12 2.04 2o8yA1 VAL 246 HG13 -0.06 0.03 -0.19 -0.04 0.97 0.71 2o8yA1 VAL 246 HG23 0.06 0.01 -0.06 -0.04 0.95 0.93 2o8yA1 GLU 247 H 0.07 0.03 0.19 -0.55 8.60 8.34 2o8yA1 GLU 247 HA 0.07 0.26 0.85 -0.75 4.29 4.71 2o8yA1 GLU 247 HB2 0.03 0.08 0.03 -0.04 2.09 2.19 2o8yA1 GLU 247 HB3 0.04 -0.13 0.12 -0.04 1.99 1.98 2o8yA1 GLU 247 HG2 0.06 0.02 -0.46 -0.04 2.34 1.91 2o8yA1 GLU 247 HG3 0.07 0.07 -0.02 -0.04 2.34 2.42 2o8yA1 LEU 248 H 0.10 0.27 0.10 -0.55 8.37 8.29 2o8yA1 LEU 248 HA -0.13 0.07 0.84 -0.75 4.35 4.37 2o8yA1 LEU 248 HB2 -0.01 -0.01 -0.01 -0.04 1.64 1.57 2o8yA1 LEU 248 HB3 -0.22 0.08 0.12 -0.04 1.64 1.59 2o8yA1 LEU 248 HG -0.93 -0.00 -0.35 -0.04 1.64 0.32 2o8yA1 LEU 248 HD13 -0.69 0.03 -0.03 -0.04 0.93 0.20 2o8yA1 LEU 248 HD23 -0.41 0.01 -0.10 -0.04 0.89 0.35 2o8yA1 LEU 249 H -0.24 0.38 0.30 -0.55 8.37 8.27 2o8yA1 LEU 249 HA -0.04 0.11 0.60 -0.75 4.35 4.26 2o8yA1 LEU 249 HB2 -0.18 -0.09 -0.02 -0.04 1.64 1.32 2o8yA1 LEU 249 HB3 -0.04 -0.02 -0.07 -0.04 1.64 1.46 2o8yA1 LEU 249 HG -0.04 -0.03 -0.27 -0.04 1.64 1.27 2o8yA1 LEU 249 HD13 -0.03 0.00 -0.19 -0.04 0.93 0.67 2o8yA1 LEU 249 HD23 0.01 0.01 -0.13 -0.04 0.89 0.73 2o8yA1 GLY 250 H -0.35 0.26 0.24 -0.55 8.43 8.04 2o8yA1 GLY 250 HA2 -0.36 0.07 0.76 -0.51 4.01 3.97 2o8yA1 GLY 250 HA3 0.02 0.13 0.37 -0.51 4.01 4.02 2o8yA1 PHE 251 H -0.48 0.43 0.29 -0.55 8.34 8.02 2o8yA1 PHE 251 HA -0.12 0.07 0.69 -0.75 4.62 4.51 2o8yA1 PHE 251 HB2 0.12 0.09 0.13 -0.04 3.15 3.45 2o8yA1 PHE 251 HB3 -0.23 0.07 -0.07 -0.04 3.06 2.79 2o8yA1 PHE 251 HD2 -0.01 -0.01 -0.37 -0.04 7.28 6.85 2o8yA1 PHE 251 HE2 0.13 0.01 -0.07 -0.04 7.38 7.41 2o8yA1 PHE 251 HZ 0.09 0.01 -0.09 -0.04 7.32 7.30 2o8yA1 SER 252 H 0.42 0.67 0.17 -0.55 8.46 9.17 2o8yA1 SER 252 HA 0.35 0.11 0.95 -0.75 4.49 5.15 2o8yA1 SER 252 HB2 0.20 0.01 -0.28 -0.04 3.95 3.84 2o8yA1 SER 252 HB3 0.23 -0.05 0.10 -0.04 3.93 4.17 2o8yA1 SER 253 H 0.28 0.11 0.18 -0.55 8.46 8.49 2o8yA1 SER 253 HA -0.03 0.19 0.81 -0.75 4.49 4.71 2o8yA1 SER 253 HB2 0.11 -0.04 0.05 -0.04 3.95 4.03 2o8yA1 SER 253 HB3 0.01 0.03 0.10 -0.04 3.93 4.03 2o8yA1 ASP 254 H 0.13 -0.03 0.09 -0.55 8.40 8.05 2o8yA1 ASP 254 HA 0.02 0.21 0.73 -0.75 4.63 4.83 2o8yA1 ASP 254 HB2 0.09 -0.05 0.14 -0.04 2.71 2.85 2o8yA1 ASP 254 HB3 0.08 0.05 0.11 -0.04 2.70 2.90 2o8yA1 GLY 255 H -0.01 0.08 0.15 -0.55 8.43 8.09 2o8yA1 GLY 255 HA2 -0.13 -0.05 0.33 -0.51 4.01 3.66 2o8yA1 GLY 255 HA3 -0.37 0.07 0.62 -0.51 4.01 3.82 2o8yA1 ASP 256 H -0.89 0.01 0.07 -0.55 8.40 7.05 2o8yA1 ASP 256 HA -0.23 0.10 0.45 -0.75 4.63 4.20 2o8yA1 ASP 256 HB2 -0.23 -0.04 0.17 -0.04 2.71 2.56 2o8yA1 ASP 256 HB3 -0.17 0.03 0.09 -0.04 2.70 2.61 2o8yA1 ASP 257 H -0.34 0.02 0.07 -0.55 8.40 7.60 2o8yA1 ASP 257 HA -0.16 0.05 0.44 -0.75 4.63 4.21 2o8yA1 ASP 257 HB2 -0.08 -0.02 0.06 -0.04 2.71 2.62 2o8yA1 ASP 257 HB3 -0.07 -0.02 0.02 -0.04 2.70 2.58 2o8yA1 LEU 258 H -0.21 0.04 0.21 -0.55 8.37 7.87 2o8yA1 LEU 258 HA -0.18 0.25 0.54 -0.75 4.35 4.21 2o8yA1 LEU 258 HB2 -0.53 -0.11 0.16 -0.04 1.64 1.13 2o8yA1 LEU 258 HB3 -1.18 0.08 0.07 -0.04 1.64 0.58 2o8yA1 LEU 258 HG -0.38 0.03 0.08 -0.04 1.64 1.32 2o8yA1 LEU 258 HD13 -0.90 -0.02 0.05 -0.04 0.93 0.02 2o8yA1 LEU 258 HD23 -0.50 0.03 0.13 -0.04 0.89 0.50 2o8yA1 CYS 259 H 0.13 0.49 0.37 -0.55 8.50 8.95 2o8yA1 CYS 259 HA 0.14 0.36 1.11 -0.75 4.58 5.44 2o8yA1 CYS 259 HB2 0.18 -0.11 -0.01 -0.04 2.97 2.99 2o8yA1 CYS 259 HB3 0.11 0.03 -0.07 -0.04 2.97 3.00 2o8yA1 LEU 260 H 0.08 0.61 0.32 -0.55 8.37 8.83 2o8yA1 LEU 260 HA -0.07 0.10 0.93 -0.75 4.35 4.55 2o8yA1 LEU 260 HB2 0.05 0.02 0.07 -0.04 1.64 1.74 2o8yA1 LEU 260 HB3 -0.44 0.02 -0.02 -0.04 1.64 1.16 2o8yA1 LEU 260 HG 0.10 0.01 -0.29 -0.04 1.64 1.41 2o8yA1 LEU 260 HD13 -0.03 -0.01 -0.09 -0.04 0.93 0.76 2o8yA1 LEU 260 HD23 -0.44 0.02 0.04 -0.04 0.89 0.46 2o8yA1 VAL 261 H -0.40 1.02 0.46 -0.55 8.24 8.76 2o8yA1 VAL 261 HA -0.21 0.37 1.15 -0.75 4.13 4.68 2o8yA1 VAL 261 HB -0.51 -0.22 0.11 -0.04 2.12 1.46 2o8yA1 VAL 261 HG13 -0.32 0.02 -0.09 -0.04 0.97 0.54 2o8yA1 VAL 261 HG23 -0.58 -0.01 -0.37 -0.04 0.95 -0.05 2o8yA1 TYR 262 H -0.00 0.41 0.33 -0.55 8.29 8.48 2o8yA1 TYR 262 HA -0.07 0.17 1.07 -0.75 4.56 4.98 2o8yA1 TYR 262 HB2 -0.02 0.02 0.04 -0.04 3.06 3.06 2o8yA1 TYR 262 HB3 -0.01 0.00 0.17 -0.04 2.98 3.09 2o8yA1 TYR 262 HD2 -0.01 0.09 -0.24 -0.04 7.15 6.95 2o8yA1 TYR 262 HE2 0.01 0.03 -0.14 -0.04 6.85 6.71 2o8yA1 VAL 263 H 0.13 0.30 0.28 -0.55 8.24 8.40 2o8yA1 VAL 263 HA 0.05 0.09 0.57 -0.75 4.13 4.08 2o8yA1 VAL 263 HB 0.04 -0.07 0.14 -0.04 2.12 2.19 2o8yA1 VAL 263 HG13 0.03 0.05 0.01 -0.04 0.97 1.02 2o8yA1 VAL 263 HG23 0.03 0.03 0.04 -0.04 0.95 1.01 2o8yA1 TYR 264 H 0.14 0.26 0.10 -0.55 8.29 8.24 2o8yA1 TYR 264 HA -0.02 0.13 0.18 -0.75 4.56 4.10 2o8yA1 TYR 264 HB2 -0.06 0.02 -0.47 -0.04 3.06 2.51 2o8yA1 TYR 264 HB3 -0.04 0.03 -0.04 -0.04 2.98 2.89 2o8yA1 TYR 264 HD2 -0.05 -0.00 -0.15 -0.04 7.15 6.91 2o8yA1 TYR 264 HE2 -0.04 -0.01 -0.05 -0.04 6.85 6.71 2o8yA1 PRO 266 HA -0.52 -0.03 0.25 -0.51 4.44 3.63 2o8yA1 PRO 266 HB2 -0.21 0.00 -0.05 -0.04 2.28 1.99 2o8yA1 PRO 266 HB3 -0.01 0.01 -0.01 -0.04 2.02 1.96 2o8yA1 PRO 266 HG2 -0.07 -0.12 0.11 -0.04 2.03 1.91 2o8yA1 PRO 266 HG3 0.01 0.02 -0.22 -0.04 2.03 1.80 2o8yA1 PRO 266 HD2 -0.28 -0.19 0.38 -0.04 3.68 3.55 2o8yA1 PRO 266 HD3 -0.37 0.44 9.18 -0.04 3.65 12.86 2o8yA1 ASN 267 H -0.32 0.34 0.06 -0.55 8.53 8.06 2o8yA1 ASN 267 HA -0.17 0.16 0.62 -0.75 4.76 4.61 2o8yA1 ASN 267 HB2 -0.53 0.09 -0.13 -0.04 2.88 2.26 2o8yA1 ASN 267 HB3 -0.41 -0.02 0.06 -0.04 2.79 2.38 2o8yA1 ASN 267 HD21 -0.62 0.05 -0.02 -0.04 7.03 6.41 2o8yA1 ASN 267 HD22 -0.83 0.60 -0.13 -0.04 7.74 7.34 2o8yA1 GLY 268 H -0.20 0.06 -0.37 -0.55 8.43 7.37 2o8yA1 GLY 268 HA2 -0.11 0.01 0.26 -0.51 4.01 3.66 2o8yA1 GLY 268 HA3 -0.07 0.03 0.38 -0.51 4.01 3.85 2o8yA1 SER 269 H -0.04 0.04 0.20 -0.55 8.46 8.12 2o8yA1 SER 269 HA -0.05 0.37 0.94 -0.75 4.49 4.99 2o8yA1 SER 269 HB2 -0.04 0.08 0.26 -0.04 3.95 4.21 2o8yA1 SER 269 HB3 -0.05 0.09 0.12 -0.04 3.93 4.05 2o8yA1 LEU 270 H -0.03 0.72 0.37 -0.55 8.37 8.89 2o8yA1 LEU 270 HA 0.03 0.12 0.44 -0.75 4.35 4.19 2o8yA1 LEU 270 HB2 -0.00 0.06 0.08 -0.04 1.64 1.74 2o8yA1 LEU 270 HB3 -0.01 0.10 0.26 -0.04 1.64 1.95 2o8yA1 LEU 270 HG 0.01 -0.06 -0.24 -0.04 1.64 1.31 2o8yA1 LEU 270 HD13 0.01 0.01 0.01 -0.04 0.93 0.92 2o8yA1 LEU 270 HD23 -0.00 -0.01 -0.05 -0.04 0.89 0.79 2o8yA1 LEU 271 H -0.01 0.27 -0.21 -0.55 8.37 7.88 2o8yA1 LEU 271 HA 0.02 0.11 0.30 -0.75 4.35 4.03 2o8yA1 LEU 271 HB2 0.01 -0.16 -0.17 -0.04 1.64 1.28 2o8yA1 LEU 271 HB3 -0.00 -0.02 -0.04 -0.04 1.64 1.53 2o8yA1 LEU 271 HG 0.02 0.08 -0.37 -0.04 1.64 1.32 2o8yA1 LEU 271 HD13 0.04 0.00 -0.01 -0.04 0.93 0.92 2o8yA1 LEU 271 HD23 0.01 -0.01 -0.04 -0.04 0.89 0.81 2o8yA1 ASP 272 H 0.00 0.06 -0.27 -0.55 8.40 7.64 2o8yA1 ASP 272 HA 0.01 0.05 0.43 -0.75 4.63 4.37 2o8yA1 ASP 272 HB2 0.00 0.10 0.11 -0.04 2.71 2.88 2o8yA1 ASP 272 HB3 0.01 0.04 0.06 -0.04 2.70 2.77 2o8yA1 ARG 273 H 0.03 0.35 -0.35 -0.55 8.46 7.94 2o8yA1 ARG 273 HA 0.05 0.09 0.62 -0.75 4.34 4.35 2o8yA1 ARG 273 HB2 0.07 0.01 0.12 -0.04 1.90 2.06 2o8yA1 ARG 273 HB3 0.10 0.00 0.03 -0.04 1.80 1.90 2o8yA1 ARG 273 HG2 0.05 0.08 -0.01 -0.04 1.67 1.75 2o8yA1 ARG 273 HG3 0.16 -0.04 -0.07 -0.04 1.67 1.68 2o8yA1 ARG 273 HD2 0.14 0.05 0.00 -0.04 3.22 3.37 2o8yA1 ARG 273 HD3 0.23 0.00 -0.02 -0.04 3.22 3.39 2o8yA1 LEU 274 H 0.03 0.50 -0.09 -0.55 8.37 8.26 2o8yA1 LEU 274 HA 0.03 0.08 0.55 -0.75 4.35 4.25 2o8yA1 LEU 274 HB2 0.03 -0.01 0.09 -0.04 1.64 1.70 2o8yA1 LEU 274 HB3 0.03 0.03 -0.00 -0.04 1.64 1.66 2o8yA1 LEU 274 HG 0.02 0.07 -0.00 -0.04 1.64 1.69 2o8yA1 LEU 274 HD13 0.02 -0.03 -0.26 -0.04 0.93 0.62 2o8yA1 LEU 274 HD23 0.03 0.01 0.04 -0.04 0.89 0.93 2o8yA1 SER 275 H 0.03 0.15 -0.42 -0.55 8.46 7.67 2o8yA1 SER 275 HA 0.03 0.29 0.89 -0.75 4.49 4.94 2o8yA1 SER 275 HB2 0.02 -0.06 0.13 -0.04 3.95 4.00 2o8yA1 SER 275 HB3 0.02 0.01 -0.00 -0.04 3.93 3.92 2o8yA1 CYS 276 H 0.03 0.24 -0.53 -0.55 8.50 7.70 2o8yA1 CYS 276 HA 0.03 0.12 0.26 -0.75 4.58 4.24 2o8yA1 CYS 276 HB2 0.02 0.04 -0.01 -0.04 2.97 2.98 2o8yA1 CYS 276 HB3 0.03 0.11 0.13 -0.04 2.97 3.20 2o8yA1 LEU 277 H 0.03 0.49 -0.07 -0.55 8.37 8.27 2o8yA1 LEU 277 HA 0.02 -0.01 0.37 -0.75 4.35 3.98 2o8yA1 LEU 277 HB2 0.02 0.00 0.15 -0.04 1.64 1.77 2o8yA1 LEU 277 HB3 0.02 0.02 0.08 -0.04 1.64 1.72 2o8yA1 LEU 277 HG 0.02 0.01 -0.09 -0.04 1.64 1.53 2o8yA1 LEU 277 HD13 0.02 -0.01 0.05 -0.04 0.93 0.94 2o8yA1 LEU 277 HD23 0.01 -0.02 0.00 -0.04 0.89 0.84 2o8yA1 ASP 278 H 0.02 0.10 0.20 -0.55 8.40 8.17 2o8yA1 ASP 278 HA 0.02 -0.03 0.37 -0.75 4.63 4.23 2o8yA1 ASP 278 HB2 0.03 0.26 -0.05 -0.04 2.71 2.91 2o8yA1 ASP 278 HB3 0.03 -0.02 0.19 -0.04 2.70 2.85 2o8yA1 GLY 279 H 0.02 0.44 -0.28 -0.55 8.43 8.06 2o8yA1 GLY 279 HA2 0.02 0.02 0.27 -0.51 4.01 3.81 2o8yA1 GLY 279 HA3 0.02 0.02 0.58 -0.51 4.01 4.13 2o8yA1 THR 280 H 0.03 0.25 -0.31 -0.55 8.28 7.70 2o8yA1 THR 280 HA 0.05 0.05 0.46 -0.75 4.39 4.20 2o8yA1 THR 280 HB 0.08 0.04 0.02 -0.04 4.32 4.42 2o8yA1 THR 280 HG23 0.05 0.01 -0.07 -0.04 1.22 1.17 2o8yA1 PRO 281 HA 0.02 0.07 0.44 -0.51 4.44 4.46 2o8yA1 PRO 281 HB2 -0.01 0.05 0.01 -0.04 2.28 2.30 2o8yA1 PRO 281 HB3 0.01 -0.02 0.10 -0.04 2.02 2.06 2o8yA1 PRO 281 HG2 0.03 -0.03 0.08 -0.04 2.03 2.07 2o8yA1 PRO 281 HG3 0.03 0.03 0.11 -0.04 2.03 2.15 2o8yA1 PRO 281 HD2 0.07 0.08 0.16 -0.04 3.68 3.94 2o8yA1 PRO 281 HD3 0.05 0.10 0.26 -0.04 3.65 4.02 2o8yA1 PRO 282 HA 0.01 0.09 0.40 -0.51 4.44 4.43 2o8yA1 PRO 282 HB2 0.01 0.03 -0.01 -0.04 2.28 2.27 2o8yA1 PRO 282 HB3 0.02 0.08 0.11 -0.04 2.02 2.19 2o8yA1 PRO 282 HG2 0.02 -0.04 0.08 -0.04 2.03 2.04 2o8yA1 PRO 282 HG3 0.02 0.05 0.08 -0.04 2.03 2.14 2o8yA1 PRO 282 HD2 0.01 0.02 0.17 -0.04 3.68 3.84 2o8yA1 PRO 282 HD3 0.01 0.12 0.21 -0.04 3.65 3.95 2o8yA1 LEU 283 H 0.00 0.15 0.17 -0.55 8.37 8.15 2o8yA1 LEU 283 HA -0.11 0.02 0.64 -0.75 4.35 4.14 2o8yA1 LEU 283 HB2 -0.01 -0.00 0.14 -0.04 1.64 1.72 2o8yA1 LEU 283 HB3 -0.08 0.09 0.03 -0.04 1.64 1.63 2o8yA1 LEU 283 HG -0.01 0.10 -0.02 -0.04 1.64 1.68 2o8yA1 LEU 283 HD13 0.01 -0.02 -0.05 -0.04 0.93 0.83 2o8yA1 LEU 283 HD23 -0.18 -0.00 -0.02 -0.04 0.89 0.65 2o8yA1 SER 284 H -0.07 0.05 0.16 -0.55 8.46 8.05 2o8yA1 SER 284 HA 0.07 0.12 0.41 -0.75 4.49 4.34 2o8yA1 SER 284 HB2 0.08 -0.11 0.14 -0.04 3.95 4.03 2o8yA1 SER 284 HB3 0.01 0.08 0.13 -0.04 3.93 4.11 2o8yA1 TRP 285 H 0.28 0.05 0.10 -0.55 7.97 7.84 2o8yA1 TRP 285 HA -0.00 0.20 0.36 -0.75 4.62 4.42 2o8yA1 TRP 285 HB2 0.01 0.03 -0.05 -0.04 3.23 3.18 2o8yA1 TRP 285 HB3 0.03 -0.02 -0.17 -0.04 3.23 3.03 2o8yA1 TRP 285 HD1 0.04 0.07 -0.04 -0.04 7.22 7.25 2o8yA1 TRP 285 HE1 0.02 -0.03 -0.08 -0.04 10.20 10.07 2o8yA1 TRP 285 HE3 0.00 0.10 -0.01 -0.04 7.59 7.63 2o8yA1 TRP 285 HZ2 0.01 0.12 -0.34 -0.04 7.44 7.20 2o8yA1 TRP 285 HZ3 0.00 0.08 -0.08 -0.04 7.13 7.09 2o8yA1 TRP 285 HH2 0.01 0.08 -0.04 -0.04 7.19 7.20 2o8yA1 HIS 286 H 0.21 0.02 -0.17 -0.55 8.41 7.93 2o8yA1 HIS 286 HA -0.17 0.07 0.25 -0.75 4.63 4.03 2o8yA1 HIS 286 HB2 0.04 0.02 0.11 -0.04 3.26 3.38 2o8yA1 HIS 286 HB3 -0.02 0.01 0.07 -0.04 3.20 3.22 2o8yA1 HIS 286 HD2 -0.04 0.02 0.02 -0.04 6.97 6.92 2o8yA1 HIS 286 HE1 -0.02 0.02 0.04 -0.04 7.75 7.75 2o8yA1 ARG 288 HA -0.18 -0.13 0.31 -0.75 4.34 3.59 2o8yA1 ARG 288 HB2 -0.52 0.10 0.05 -0.04 1.90 1.50 2o8yA1 ARG 288 HB3 -0.28 -0.09 -0.02 -0.04 1.80 1.37 2o8yA1 ARG 288 HG2 -0.08 -0.14 0.03 -0.04 1.67 1.45 2o8yA1 ARG 288 HG3 -0.07 0.35 -0.09 -0.04 1.67 1.81 2o8yA1 ARG 288 HD2 0.15 -0.05 -0.03 -0.04 3.22 3.25 2o8yA1 ARG 288 HD3 0.03 0.01 0.08 -0.04 3.22 3.30 2o8yA1 CYS 289 H -0.60 0.59 -0.89 -0.55 8.50 7.05 2o8yA1 CYS 289 HA -0.43 0.02 0.47 -0.75 4.58 3.90 2o8yA1 CYS 289 HB2 -0.43 0.13 0.20 -0.04 2.97 2.83 2o8yA1 CYS 289 HB3 -0.25 -0.02 0.06 -0.04 2.97 2.72 2o8yA1 LYS 290 H -0.33 0.48 0.26 -0.55 8.42 8.27 2o8yA1 LYS 290 HA -0.13 0.05 0.50 -0.75 4.32 3.98 2o8yA1 LYS 290 HB2 -0.24 0.11 0.07 -0.04 1.87 1.77 2o8yA1 LYS 290 HB3 -0.11 -0.02 -0.03 -0.04 1.79 1.58 2o8yA1 LYS 290 HG2 -0.28 0.04 0.06 -0.04 1.46 1.24 2o8yA1 LYS 290 HG3 -0.25 0.01 0.03 -0.04 1.46 1.21 2o8yA1 LYS 290 HD2 -0.06 -0.02 0.01 -0.04 1.69 1.58 2o8yA1 LYS 290 HD3 -0.07 -0.04 0.06 -0.04 1.68 1.59 2o8yA1 LYS 290 HE2 -0.01 0.00 0.01 -0.04 2.99 2.95 2o8yA1 LYS 290 HE3 -0.01 -0.04 -0.00 -0.04 2.99 2.90 2o8yA1 ILE 291 H -0.15 0.22 -0.30 -0.55 8.25 7.47 2o8yA1 ILE 291 HA -0.03 -0.03 0.44 -0.75 4.18 3.82 2o8yA1 ILE 291 HB -0.09 0.17 0.11 -0.04 1.89 2.04 2o8yA1 ILE 291 HG12 0.02 0.05 -0.00 -0.04 1.49 1.52 2o8yA1 ILE 291 HG13 -0.05 -0.03 -0.00 -0.04 1.21 1.08 2o8yA1 ILE 291 HG23 -0.00 -0.03 -0.15 -0.04 0.93 0.71 2o8yA1 ILE 291 HD13 0.02 0.01 -0.02 -0.04 0.88 0.86 2o8yA1 ALA 292 H -0.11 0.64 -0.15 -0.55 8.40 8.23 2o8yA1 ALA 292 HA 0.10 -0.04 0.38 -0.75 4.34 4.04 2o8yA1 ALA 292 HB3 -0.08 0.05 0.08 -0.04 1.41 1.42 2o8yA1 GLN 293 H -0.04 0.56 -0.21 -0.55 8.47 8.23 2o8yA1 GLN 293 HA 0.03 0.01 0.40 -0.75 4.36 4.04 2o8yA1 GLN 293 HB2 -0.05 0.10 0.26 -0.04 2.15 2.42 2o8yA1 GLN 293 HB3 -0.01 -0.08 -0.01 -0.04 2.02 1.87 2o8yA1 GLN 293 HG2 -0.00 -0.08 -0.05 -0.04 2.40 2.23 2o8yA1 GLN 293 HG3 -0.01 0.01 -0.04 -0.04 2.39 2.31 2o8yA1 GLN 293 HE21 -0.05 -0.02 -0.03 -0.04 6.97 6.83 2o8yA1 GLN 293 HE22 -0.04 -0.07 0.01 -0.04 7.69 7.55 2o8yA1 GLY 294 H -0.02 0.80 -0.00 -0.55 8.43 8.67 2o8yA1 GLY 294 HA2 0.01 -0.04 0.35 -0.51 4.01 3.81 2o8yA1 GLY 294 HA3 -0.01 0.05 0.34 -0.51 4.01 3.89 2o8yA1 ALA 295 H 0.02 0.66 -0.22 -0.55 8.40 8.32 2o8yA1 ALA 295 HA -0.06 0.02 0.39 -0.75 4.34 3.93 2o8yA1 ALA 295 HB3 0.09 0.02 0.05 -0.04 1.41 1.53 2o8yA1 ALA 296 H -0.04 0.64 -0.19 -0.55 8.40 8.26 2o8yA1 ALA 296 HA -0.58 -0.05 0.44 -0.75 4.34 3.40 2o8yA1 ALA 296 HB3 -0.03 0.04 0.06 -0.04 1.41 1.44 2o8yA1 ASN 297 H -0.05 0.63 -0.12 -0.55 8.53 8.44 2o8yA1 ASN 297 HA -0.05 -0.02 0.39 -0.75 4.76 4.33 2o8yA1 ASN 297 HB2 0.06 0.19 0.10 -0.04 2.88 3.19 2o8yA1 ASN 297 HB3 0.11 -0.09 0.02 -0.04 2.79 2.79 2o8yA1 ASN 297 HD21 0.02 -0.01 -0.07 -0.04 7.03 6.93 2o8yA1 ASN 297 HD22 0.04 -0.03 -0.05 -0.04 7.74 7.66 2o8yA1 GLY 298 H -0.10 0.42 -0.42 -0.55 8.43 7.79 2o8yA1 GLY 298 HA2 -0.21 -0.03 0.41 -0.51 4.01 3.67 2o8yA1 GLY 298 HA3 -0.07 0.18 0.28 -0.51 4.01 3.89 2o8yA1 ILE 299 H -0.24 0.62 0.03 -0.55 8.25 8.11 2o8yA1 ILE 299 HA -0.22 0.01 0.42 -0.75 4.18 3.64 2o8yA1 ILE 299 HB -0.43 0.10 0.16 -0.04 1.89 1.68 2o8yA1 ILE 299 HG12 -0.29 -0.09 0.04 -0.04 1.49 1.11 2o8yA1 ILE 299 HG13 -0.35 0.22 0.11 -0.04 1.21 1.14 2o8yA1 ILE 299 HG23 -0.53 -0.04 -0.07 -0.04 0.93 0.25 2o8yA1 ILE 299 HD13 -0.68 -0.01 -0.07 -0.04 0.88 0.08 2o8yA1 ASN 300 H -0.20 0.71 -0.23 -0.55 8.53 8.27 2o8yA1 ASN 300 HA -0.14 -0.11 0.34 -0.75 4.76 4.09 2o8yA1 ASN 300 HB2 -0.08 0.01 0.01 -0.04 2.88 2.78 2o8yA1 ASN 300 HB3 -0.08 0.15 0.12 -0.04 2.79 2.94 2o8yA1 ASN 300 HD21 0.00 -0.04 -0.10 -0.04 7.03 6.85 2o8yA1 ASN 300 HD22 0.01 0.11 -0.14 -0.04 7.74 7.67 2o8yA1 PHE 301 H -0.07 0.49 -0.28 -0.55 8.34 7.93 2o8yA1 PHE 301 HA -0.14 -0.02 0.39 -0.75 4.62 4.10 2o8yA1 PHE 301 HB2 -0.65 0.04 0.13 -0.04 3.15 2.62 2o8yA1 PHE 301 HB3 -0.37 0.15 0.10 -0.04 3.06 2.91 2o8yA1 PHE 301 HD2 -0.06 -0.00 -0.14 -0.04 7.28 7.03 2o8yA1 PHE 301 HE2 0.02 -0.05 -0.08 -0.04 7.38 7.23 2o8yA1 PHE 301 HZ 0.03 -0.00 -0.01 -0.04 7.32 7.30 2o8yA1 LEU 302 H 0.02 0.49 -0.19 -0.55 8.37 8.14 2o8yA1 LEU 302 HA 0.04 0.07 0.34 -0.75 4.35 4.05 2o8yA1 LEU 302 HB2 -0.02 0.08 0.17 -0.04 1.64 1.83 2o8yA1 LEU 302 HB3 0.19 -0.05 -0.09 -0.04 1.64 1.66 2o8yA1 LEU 302 HG 0.17 0.17 -0.01 -0.04 1.64 1.93 2o8yA1 LEU 302 HD13 0.26 -0.05 -0.10 -0.04 0.93 1.01 2o8yA1 LEU 302 HD23 0.21 0.00 -0.09 -0.04 0.89 0.97 2o8yA1 HIS 303 H -0.06 0.52 -0.12 -0.55 8.41 8.20 2o8yA1 HIS 303 HA -0.03 0.08 0.58 -0.75 4.63 4.51 2o8yA1 HIS 303 HB2 -0.05 0.06 0.19 -0.04 3.26 3.42 2o8yA1 HIS 303 HB3 -0.04 -0.09 0.07 -0.04 3.20 3.10 2o8yA1 HIS 303 HD2 0.04 0.42 0.07 -0.04 6.97 7.46 2o8yA1 HIS 303 HE1 0.01 0.02 0.08 -0.04 7.75 7.81 2o8yA1 GLU 304 H -0.09 0.68 0.05 -0.55 8.60 8.69 2o8yA1 GLU 304 HA -0.18 -0.06 0.42 -0.75 4.29 3.72 2o8yA1 GLU 304 HB2 -0.28 0.15 0.10 -0.04 2.09 2.01 2o8yA1 GLU 304 HB3 -0.17 -0.06 0.09 -0.04 1.99 1.80 2o8yA1 GLU 304 HG2 -0.06 -0.12 0.07 -0.04 2.34 2.19 2o8yA1 GLU 304 HG3 -0.08 0.43 0.09 -0.04 2.34 2.74 2o8yA1 ASN 305 H -0.28 0.35 -0.63 -0.55 8.53 7.43 2o8yA1 ASN 305 HA -0.34 0.07 0.70 -0.75 4.76 4.44 2o8yA1 ASN 305 HB2 -0.19 0.12 0.11 -0.04 2.88 2.88 2o8yA1 ASN 305 HB3 0.00 -0.02 0.18 -0.04 2.79 2.91 2o8yA1 ASN 305 HD21 -0.22 -0.08 0.06 -0.04 7.03 6.75 2o8yA1 ASN 305 HD22 -0.08 0.11 0.12 -0.04 7.74 7.85 2o8yA1 HIS 306 H -0.44 0.69 -0.45 -0.55 8.41 7.66 2o8yA1 HIS 306 HA -0.07 0.01 0.39 -0.75 4.63 4.20 2o8yA1 HIS 306 HB2 -0.19 0.15 0.12 -0.04 3.26 3.30 2o8yA1 HIS 306 HB3 -0.12 -0.27 0.22 -0.04 3.20 2.99 2o8yA1 HIS 306 HD2 -0.08 0.03 -0.12 -0.04 6.97 6.75 2o8yA1 HIS 306 HE1 -0.04 -0.08 0.05 -0.04 7.75 7.64 2o8yA1 HIS 307 H 0.10 0.45 0.08 -0.55 8.41 8.49 2o8yA1 HIS 307 HA 0.06 0.28 1.06 -0.75 4.63 5.28 2o8yA1 HIS 307 HB2 0.05 0.16 0.01 -0.04 3.26 3.44 2o8yA1 HIS 307 HB3 0.11 -0.11 -0.16 -0.04 3.20 3.00 2o8yA1 HIS 307 HD2 -0.03 0.03 -0.08 -0.04 6.97 6.84 2o8yA1 HIS 307 HE1 0.03 -0.05 -0.15 -0.04 7.75 7.53 2o8yA1 ILE 308 H 0.18 0.94 0.28 -0.55 8.25 9.10 2o8yA1 ILE 308 HA 0.21 0.06 0.89 -0.75 4.18 4.58 2o8yA1 ILE 308 HB 0.07 0.08 -0.00 -0.04 1.89 2.00 2o8yA1 ILE 308 HG12 -0.05 -0.08 -0.22 -0.04 1.49 1.10 2o8yA1 ILE 308 HG13 0.02 0.05 -0.47 -0.04 1.21 0.77 2o8yA1 ILE 308 HG23 0.07 -0.05 -0.22 -0.04 0.93 0.69 2o8yA1 ILE 308 HD13 -0.01 -0.01 -0.27 -0.04 0.88 0.55 2o8yA1 HIS 309 H 0.28 0.11 0.08 -0.55 8.41 8.33 2o8yA1 HIS 309 HA 0.08 0.15 0.43 -0.75 4.63 4.53 2o8yA1 HIS 309 HB2 0.03 0.08 0.06 -0.04 3.26 3.39 2o8yA1 HIS 309 HB3 0.01 -0.14 0.12 -0.04 3.20 3.15 2o8yA1 HIS 309 HD2 -0.33 0.01 -0.13 -0.04 6.97 6.47 2o8yA1 HIS 309 HE1 -0.21 0.14 -0.13 -0.04 7.75 7.51 2o8yA1 ARG 310 H 0.18 0.01 -0.04 -0.55 8.46 8.06 2o8yA1 ARG 310 HA 0.09 0.01 0.24 -0.75 4.34 3.93 2o8yA1 ARG 310 HB2 0.00 0.29 -0.04 -0.04 1.90 2.11 2o8yA1 ARG 310 HB3 0.03 0.04 0.04 -0.04 1.80 1.87 2o8yA1 ARG 310 HG2 0.05 -0.06 -0.12 -0.04 1.67 1.50 2o8yA1 ARG 310 HG3 0.06 -0.13 -0.67 -0.04 1.67 0.89 2o8yA1 ARG 310 HD2 0.04 -0.08 -0.12 -0.04 3.22 3.02 2o8yA1 ARG 310 HD3 0.02 0.51 -0.10 -0.04 3.22 3.61 2o8yA1 ASP 311 H 0.70 0.06 -0.60 -0.55 8.40 8.00 2o8yA1 ASP 311 HA 0.04 0.13 0.62 -0.75 4.63 4.67 2o8yA1 ASP 311 HB2 -0.01 0.07 -0.29 -0.04 2.71 2.43 2o8yA1 ASP 311 HB3 0.10 0.07 0.05 -0.04 2.70 2.89 2o8yA1 ILE 312 H 0.02 0.07 -0.06 -0.55 8.25 7.72 2o8yA1 ILE 312 HA -0.52 0.11 0.47 -0.75 4.18 3.49 2o8yA1 ILE 312 HB -0.03 0.02 0.15 -0.04 1.89 1.99 2o8yA1 ILE 312 HG12 -0.11 -0.19 0.07 -0.04 1.49 1.21 2o8yA1 ILE 312 HG13 -0.12 0.03 0.06 -0.04 1.21 1.14 2o8yA1 ILE 312 HG23 -0.04 0.02 -0.24 -0.04 0.93 0.63 2o8yA1 ILE 312 HD13 -0.77 0.04 -0.02 -0.04 0.88 0.10 2o8yA1 LYS 313 H -0.29 0.30 0.22 -0.55 8.42 8.11 2o8yA1 LYS 313 HA -0.48 0.15 0.34 -0.75 4.32 3.58 2o8yA1 LYS 313 HB2 -1.23 -0.14 0.09 -0.04 1.87 0.55 2o8yA1 LYS 313 HB3 -1.18 0.24 -0.09 -0.04 1.79 0.72 2o8yA1 LYS 313 HG2 -0.29 0.36 -0.21 -0.04 1.46 1.28 2o8yA1 LYS 313 HG3 -0.28 -0.28 -0.17 -0.04 1.46 0.69 2o8yA1 LYS 313 HD2 -0.23 -0.08 -0.07 -0.04 1.69 1.27 2o8yA1 LYS 313 HD3 -0.29 0.02 -0.13 -0.04 1.68 1.24 2o8yA1 LYS 313 HE2 -0.13 0.12 -0.08 -0.04 2.99 2.86 2o8yA1 LYS 313 HE3 -0.14 -0.04 -0.10 -0.04 2.99 2.67 2o8yA1 SER 314 H -0.17 0.22 0.11 -0.55 8.46 8.07 2o8yA1 SER 314 HA -0.03 0.15 0.38 -0.75 4.49 4.24 2o8yA1 SER 314 HB2 0.13 0.07 0.15 -0.04 3.95 4.26 2o8yA1 SER 314 HB3 0.05 -0.06 0.09 -0.04 3.93 3.98 2o8yA1 ALA 315 H -0.10 0.11 -0.15 -0.55 8.40 7.72 2o8yA1 ALA 315 HA -0.05 -0.03 0.53 -0.75 4.34 4.05 2o8yA1 ALA 315 HB3 -0.06 0.03 0.04 -0.04 1.41 1.38 2o8yA1 ASN 316 H -0.15 0.33 -0.35 -0.55 8.53 7.81 2o8yA1 ASN 316 HA -0.11 0.15 0.72 -0.75 4.76 4.77 2o8yA1 ASN 316 HB2 -0.20 -0.06 0.21 -0.04 2.88 2.78 2o8yA1 ASN 316 HB3 -0.16 0.14 0.28 -0.04 2.79 3.00 2o8yA1 ASN 316 HD21 -0.09 -0.13 0.01 -0.04 7.03 6.78 2o8yA1 ASN 316 HD22 -0.05 0.60 0.18 -0.04 7.74 8.43 2o8yA1 ILE 317 H -0.09 0.26 -0.47 -0.55 8.25 7.41 2o8yA1 ILE 317 HA -0.08 0.22 0.87 -0.75 4.18 4.43 2o8yA1 ILE 317 HB -0.04 -0.02 0.18 -0.04 1.89 1.97 2o8yA1 ILE 317 HG12 -0.08 0.04 -0.08 -0.04 1.49 1.32 2o8yA1 ILE 317 HG13 -0.11 0.03 -0.31 -0.04 1.21 0.79 2o8yA1 ILE 317 HG23 -0.02 0.00 -0.17 -0.04 0.93 0.71 2o8yA1 ILE 317 HD13 0.04 -0.02 -0.13 -0.04 0.88 0.72 2o8yA1 LEU 318 H -0.07 0.77 0.17 -0.55 8.37 8.69 2o8yA1 LEU 318 HA -0.08 0.25 0.83 -0.75 4.35 4.60 2o8yA1 LEU 318 HB2 -0.09 0.06 -0.01 -0.04 1.64 1.56 2o8yA1 LEU 318 HB3 -0.11 0.01 -0.12 -0.04 1.64 1.38 2o8yA1 LEU 318 HG -0.11 -0.02 -0.17 -0.04 1.64 1.30 2o8yA1 LEU 318 HD13 -0.08 -0.02 -0.36 -0.04 0.93 0.43 2o8yA1 LEU 318 HD23 -0.12 -0.01 -0.12 -0.04 0.89 0.60 2o8yA1 LEU 319 H -0.12 0.61 0.10 -0.55 8.37 8.41 2o8yA1 LEU 319 HA -0.09 0.32 0.71 -0.75 4.35 4.54 2o8yA1 LEU 319 HB2 -0.18 0.05 -0.18 -0.04 1.64 1.29 2o8yA1 LEU 319 HB3 -0.20 -0.04 -0.16 -0.04 1.64 1.21 2o8yA1 LEU 319 HG -0.02 -0.10 -0.67 -0.04 1.64 0.80 2o8yA1 LEU 319 HD13 0.12 0.02 -0.28 -0.04 0.93 0.75 2o8yA1 LEU 319 HD23 0.07 0.02 -0.35 -0.04 0.89 0.59 2o8yA1 ASP 320 H -0.13 0.30 0.04 -0.55 8.40 8.07 2o8yA1 ASP 320 HA -0.21 0.24 0.61 -0.75 4.63 4.52 2o8yA1 ASP 320 HB2 -0.10 -0.01 0.17 -0.04 2.71 2.73 2o8yA1 ASP 320 HB3 -0.10 0.14 -0.02 -0.04 2.70 2.68 2o8yA1 GLU 321 H -0.11 0.21 0.18 -0.55 8.60 8.33 2o8yA1 GLU 321 HA -0.17 0.11 0.35 -0.75 4.29 3.83 2o8yA1 GLU 321 HB2 -0.02 -0.01 0.04 -0.04 2.09 2.06 2o8yA1 GLU 321 HB3 -0.02 0.05 0.09 -0.04 1.99 2.07 2o8yA1 GLU 321 HG2 0.01 0.04 0.07 -0.04 2.34 2.42 2o8yA1 GLU 321 HG3 -0.03 0.05 0.14 -0.04 2.34 2.45 2o8yA1 ALA 322 H -0.05 0.02 -0.22 -0.55 8.40 7.60 2o8yA1 ALA 322 HA 0.10 0.21 0.60 -0.75 4.34 4.50 2o8yA1 ALA 322 HB3 0.03 -0.00 0.03 -0.04 1.41 1.43 2o8yA1 PHE 323 H -0.23 0.57 -0.62 -0.55 8.34 7.51 2o8yA1 PHE 323 HA -0.04 0.08 0.14 -0.75 4.62 4.04 2o8yA1 PHE 323 HB2 -0.03 0.19 -0.22 -0.04 3.15 3.05 2o8yA1 PHE 323 HB3 -0.04 -0.05 0.13 -0.04 3.06 3.06 2o8yA1 PHE 323 HD2 -0.02 -0.04 -0.17 -0.04 7.28 7.01 2o8yA1 PHE 323 HE2 -0.01 0.01 -0.04 -0.04 7.38 7.30 2o8yA1 PHE 323 HZ -0.00 0.01 -0.04 -0.04 7.32 7.25 2o8yA1 THR 324 H -0.02 -0.11 -0.31 -0.55 8.28 7.29 2o8yA1 THR 324 HA 0.01 0.11 0.47 -0.75 4.39 4.23 2o8yA1 THR 324 HB -0.03 -0.12 0.01 -0.04 4.32 4.13 2o8yA1 THR 324 HG23 -0.03 0.06 -0.19 -0.04 1.22 1.02 2o8yA1 ALA 325 H -0.00 0.08 0.11 -0.55 8.40 8.04 2o8yA1 ALA 325 HA -0.02 0.25 0.44 -0.75 4.34 4.26 2o8yA1 ALA 325 HB3 -0.00 -0.05 0.02 -0.04 1.41 1.34 2o8yA1 LYS 326 H -0.04 0.61 0.19 -0.55 8.42 8.63 2o8yA1 LYS 326 HA 0.00 0.24 0.52 -0.75 4.32 4.33 2o8yA1 LYS 326 HB2 -0.04 -0.13 -0.11 -0.04 1.87 1.55 2o8yA1 LYS 326 HB3 -0.00 -0.04 -0.45 -0.04 1.79 1.26 2o8yA1 LYS 326 HG2 -0.03 0.09 -0.90 -0.04 1.46 0.58 2o8yA1 LYS 326 HG3 -0.06 -0.09 -0.33 -0.04 1.46 0.94 2o8yA1 LYS 326 HD2 -0.02 -0.12 -0.25 -0.04 1.69 1.25 2o8yA1 LYS 326 HD3 -0.02 0.15 -0.31 -0.04 1.68 1.46 2o8yA1 LYS 326 HE2 -0.04 0.00 -0.16 -0.04 2.99 2.75 2o8yA1 LYS 326 HE3 -0.05 -0.16 -0.12 -0.04 2.99 2.62 2o8yA1 ILE 327 H 0.02 0.79 0.30 -0.55 8.25 8.81 2o8yA1 ILE 327 HA -0.10 0.11 0.65 -0.75 4.18 4.09 2o8yA1 ILE 327 HB 0.14 -0.01 0.15 -0.04 1.89 2.12 2o8yA1 ILE 327 HG12 -0.04 0.18 0.16 -0.04 1.49 1.75 2o8yA1 ILE 327 HG13 -0.07 -0.09 -0.04 -0.04 1.21 0.97 2o8yA1 ILE 327 HG23 -0.21 -0.01 -0.08 -0.04 0.93 0.59 2o8yA1 ILE 327 HD13 -0.15 -0.01 0.03 -0.04 0.88 0.70 2o8yA1 SER 328 H -0.16 0.71 0.42 -0.55 8.46 8.88 2o8yA1 SER 328 HA -0.03 0.16 0.87 -0.75 4.49 4.73 2o8yA1 SER 328 HB2 -0.18 -0.11 0.09 -0.04 3.95 3.71 2o8yA1 SER 328 HB3 -0.10 0.04 -0.18 -0.04 3.93 3.65 2o8yA1 ASP 329 H -0.14 0.12 0.08 -0.55 8.40 7.91 2o8yA1 ASP 329 HA 0.01 -0.03 0.38 -0.75 4.63 4.24 2o8yA1 ASP 329 HB2 -0.09 -0.00 -0.20 -0.04 2.71 2.37 2o8yA1 ASP 329 HB3 -0.12 0.17 0.31 -0.04 2.70 3.03 2o8yA1 PHE 330 H 0.24 0.16 0.05 -0.55 8.34 8.24 2o8yA1 PHE 330 HA -0.23 0.24 0.82 -0.75 4.62 4.70 2o8yA1 PHE 330 HB2 -0.00 0.06 0.05 -0.04 3.15 3.21 2o8yA1 PHE 330 HB3 -0.07 0.04 0.11 -0.04 3.06 3.10 2o8yA1 PHE 330 HD2 -0.02 -0.05 -0.08 -0.04 7.28 7.09 2o8yA1 PHE 330 HE2 0.04 -0.01 -0.09 -0.04 7.38 7.29 2o8yA1 PHE 330 HZ 0.04 0.07 -0.14 -0.04 7.32 7.25 2o8yA1 GLY 331 H 0.11 0.07 -0.28 -0.55 8.43 7.79 2o8yA1 GLY 331 HA2 0.13 0.10 0.45 -0.51 4.01 4.18 2o8yA1 GLY 331 HA3 0.26 0.01 0.27 -0.51 4.01 4.05 2o8yA1 LEU 332 H -0.05 0.07 -0.34 -0.55 8.37 7.50 2o8yA1 LEU 332 HA 0.03 0.18 0.78 -0.75 4.35 4.58 2o8yA1 LEU 332 HB2 -0.08 0.07 -0.09 -0.04 1.64 1.50 2o8yA1 LEU 332 HB3 -0.01 0.04 0.01 -0.04 1.64 1.64 2o8yA1 LEU 332 HG -0.03 -0.13 -0.21 -0.04 1.64 1.24 2o8yA1 LEU 332 HD13 -0.06 -0.00 -0.13 -0.04 0.93 0.70 2o8yA1 LEU 332 HD23 0.01 0.02 -0.09 -0.04 0.89 0.79 2o8yA1 ALA 333 H -0.02 -0.01 -0.36 -0.55 8.40 7.46 2o8yA1 ALA 333 HA 0.01 0.24 0.47 -0.75 4.34 4.30 2o8yA1 ALA 333 HB3 0.09 -0.01 0.03 -0.04 1.41 1.48 2o8yA1 ARG 334 H 0.12 0.54 0.32 -0.55 8.46 8.89 2o8yA1 ARG 334 HA 0.10 0.16 0.90 -0.75 4.34 4.74 2o8yA1 ARG 334 HB2 0.06 -0.10 0.02 -0.04 1.90 1.83 2o8yA1 ARG 334 HB3 0.04 0.10 0.02 -0.04 1.80 1.92 2o8yA1 ARG 334 HG2 0.04 0.22 -0.29 -0.04 1.67 1.60 2o8yA1 ARG 334 HG3 0.03 -0.05 -0.07 -0.04 1.67 1.54 2o8yA1 ARG 334 HD2 0.03 -0.05 0.04 -0.04 3.22 3.20 2o8yA1 ARG 334 HD3 0.05 0.15 -0.00 -0.04 3.22 3.37 2o8yA1 ALA 335 H 0.05 0.12 0.17 -0.55 8.40 8.19 2o8yA1 ALA 335 HA -0.22 0.30 0.89 -0.75 4.34 4.55 2o8yA1 ALA 335 HB3 -0.08 -0.01 0.10 -0.04 1.41 1.38 2o8yA1 SER 336 H -0.09 0.58 0.24 -0.55 8.46 8.64 2o8yA1 SER 336 HA -0.04 0.20 0.67 -0.75 4.49 4.57 2o8yA1 SER 336 HB2 -0.03 -0.00 0.10 -0.04 3.95 3.98 2o8yA1 SER 336 HB3 -0.02 0.02 -0.31 -0.04 3.93 3.58 2o8yA1 VAL 343 HA -0.01 -0.03 0.09 -0.75 4.13 3.42 2o8yA1 VAL 343 HB -0.01 0.03 0.04 -0.04 2.12 2.15 2o8yA1 VAL 343 HG13 -0.01 0.00 0.04 -0.04 0.97 0.96 2o8yA1 VAL 343 HG23 -0.02 0.00 0.04 -0.04 0.95 0.94 2o8yA1 SER 346 HA 0.00 -0.01 0.19 -0.75 4.49 3.92 2o8yA1 SER 346 HB2 0.00 -0.03 0.04 -0.04 3.95 3.92 2o8yA1 SER 346 HB3 0.00 -0.02 0.07 -0.04 3.93 3.94 2o8yA1 ARG 347 H 0.01 0.27 0.05 -0.55 8.46 8.23 2o8yA1 ARG 347 HA 0.01 0.09 0.80 -0.75 4.34 4.49 2o8yA1 ARG 347 HB2 0.01 -0.05 0.03 -0.04 1.90 1.85 2o8yA1 ARG 347 HB3 0.01 0.02 0.18 -0.04 1.80 1.97 2o8yA1 ARG 347 HG2 0.01 0.04 -0.19 -0.04 1.67 1.49 2o8yA1 ARG 347 HG3 0.01 -0.02 -0.02 -0.04 1.67 1.60 2o8yA1 ARG 347 HD2 0.02 0.02 -0.01 -0.04 3.22 3.20 2o8yA1 ARG 347 HD3 0.02 -0.04 -0.03 -0.04 3.22 3.13 2o8yA1 ILE 348 H 0.00 0.19 0.05 -0.55 8.25 7.94 2o8yA1 ILE 348 HA 0.00 0.13 0.56 -0.75 4.18 4.12 2o8yA1 ILE 348 HB 0.00 -0.08 0.10 -0.04 1.89 1.87 2o8yA1 ILE 348 HG12 -0.00 0.01 -0.13 -0.04 1.49 1.33 2o8yA1 ILE 348 HG13 0.00 -0.02 -0.14 -0.04 1.21 1.01 2o8yA1 ILE 348 HG23 -0.00 0.05 -0.10 -0.04 0.93 0.84 2o8yA1 ILE 348 HD13 -0.00 0.06 -0.17 -0.04 0.88 0.72 2o8yA1 VAL 349 H 0.01 0.27 0.22 -0.55 8.24 8.20 2o8yA1 VAL 349 HA 0.00 0.15 0.88 -0.75 4.13 4.41 2o8yA1 VAL 349 HB -0.01 -0.10 0.05 -0.04 2.12 2.02 2o8yA1 VAL 349 HG13 0.01 0.01 -0.30 -0.04 0.97 0.64 2o8yA1 VAL 349 HG23 0.01 0.03 -0.06 -0.04 0.95 0.89 2o8yA1 GLY 350 H -0.01 0.17 0.19 -0.55 8.43 8.24 2o8yA1 GLY 350 HA2 0.00 0.06 0.32 -0.51 4.01 3.88 2o8yA1 GLY 350 HA3 0.02 0.27 0.79 -0.51 4.01 4.58 2o8yA1 THR 351 H 0.05 0.26 0.10 -0.55 8.28 8.15 2o8yA1 THR 351 HA 0.04 0.16 0.92 -0.75 4.39 4.75 2o8yA1 THR 351 HB 0.15 0.02 0.07 -0.04 4.32 4.53 2o8yA1 THR 351 HG23 0.18 -0.04 -0.08 -0.04 1.22 1.24 2o8yA1 THR 352 H 0.04 0.18 0.07 -0.55 8.28 8.03 2o8yA1 THR 352 HA 0.04 0.16 0.23 -0.75 4.39 4.06 2o8yA1 THR 352 HB 0.01 -0.10 0.10 -0.04 4.32 4.29 2o8yA1 THR 352 HG23 0.00 0.02 -0.14 -0.04 1.22 1.06 2o8yA1 ALA 353 H 0.03 0.03 -0.14 -0.55 8.40 7.78 2o8yA1 ALA 353 HA -0.05 0.08 0.32 -0.75 4.34 3.94 2o8yA1 ALA 353 HB3 -0.16 0.00 -0.05 -0.04 1.41 1.16 2o8yA1 TYR 354 H 0.20 0.36 -0.60 -0.55 8.29 7.71 2o8yA1 TYR 354 HA 0.06 0.19 0.85 -0.75 4.56 4.92 2o8yA1 TYR 354 HB2 0.03 0.03 0.09 -0.04 3.06 3.17 2o8yA1 TYR 354 HB3 0.05 0.05 0.17 -0.04 2.98 3.21 2o8yA1 TYR 354 HD2 -0.00 0.07 -0.02 -0.04 7.15 7.16 2o8yA1 TYR 354 HE2 -0.02 -0.01 -0.05 -0.04 6.85 6.73 2o8yA1 ALA 356 HA -1.44 0.07 0.12 -0.75 4.34 2.34 2o8yA1 ALA 356 HB3 -0.32 -0.03 0.15 -0.04 1.41 1.17 2o8yA1 PRO 357 HA -0.10 0.10 0.44 -0.51 4.44 4.37 2o8yA1 PRO 357 HB2 -0.08 -0.03 0.18 -0.04 2.28 2.31 2o8yA1 PRO 357 HB3 -0.06 0.02 0.10 -0.04 2.02 2.04 2o8yA1 PRO 357 HG2 -0.08 0.09 0.15 -0.04 2.03 2.16 2o8yA1 PRO 357 HG3 -0.11 0.04 0.07 -0.04 2.03 1.99 2o8yA1 PRO 357 HD2 -0.38 0.11 0.20 -0.04 3.68 3.56 2o8yA1 PRO 357 HD3 -0.93 0.20 0.13 -0.04 3.65 3.01 2o8yA1 GLU 358 H -0.10 0.17 0.00 -0.55 8.60 8.13 2o8yA1 GLU 358 HA -0.04 0.08 0.37 -0.75 4.29 3.95 2o8yA1 GLU 358 HB2 -0.03 0.04 0.03 -0.04 2.09 2.09 2o8yA1 GLU 358 HB3 -0.04 -0.01 0.11 -0.04 1.99 2.01 2o8yA1 GLU 358 HG2 -0.04 0.13 -0.24 -0.04 2.34 2.14 2o8yA1 GLU 358 HG3 -0.03 0.00 -0.12 -0.04 2.34 2.15 2o8yA1 ALA 359 H -0.09 0.09 -0.43 -0.55 8.40 7.43 2o8yA1 ALA 359 HA -0.02 0.30 0.49 -0.75 4.34 4.35 2o8yA1 ALA 359 HB3 -0.02 0.06 0.06 -0.04 1.41 1.47 2o8yA1 LEU 360 H -0.06 0.51 -0.16 -0.55 8.37 8.12 2o8yA1 LEU 360 HA -0.01 0.03 0.39 -0.75 4.35 4.01 2o8yA1 LEU 360 HB2 -0.04 0.16 0.16 -0.04 1.64 1.88 2o8yA1 LEU 360 HB3 -0.02 -0.10 0.05 -0.04 1.64 1.53 2o8yA1 LEU 360 HG -0.03 0.16 0.04 -0.04 1.64 1.78 2o8yA1 LEU 360 HD13 -0.03 -0.03 -0.07 -0.04 0.93 0.75 2o8yA1 LEU 360 HD23 -0.00 -0.03 -0.03 -0.04 0.89 0.79 2o8yA1 ARG 361 H -0.03 0.22 -0.56 -0.55 8.46 7.55 2o8yA1 ARG 361 HA -0.01 0.11 0.71 -0.75 4.34 4.39 2o8yA1 ARG 361 HB2 -0.02 0.04 0.09 -0.04 1.90 1.97 2o8yA1 ARG 361 HB3 -0.01 -0.06 0.13 -0.04 1.80 1.81 2o8yA1 ARG 361 HG2 -0.02 0.00 -0.12 -0.04 1.67 1.49 2o8yA1 ARG 361 HG3 -0.03 0.10 -0.06 -0.04 1.67 1.64 2o8yA1 ARG 361 HD2 -0.01 -0.04 -0.02 -0.04 3.22 3.11 2o8yA1 ARG 361 HD3 -0.01 -0.01 0.00 -0.04 3.22 3.17 2o8yA1 GLY 362 H -0.01 0.42 -0.34 -0.55 8.43 7.95 2o8yA1 GLY 362 HA2 -0.00 0.01 0.23 -0.51 4.01 3.73 2o8yA1 GLY 362 HA3 -0.01 0.12 0.74 -0.51 4.01 4.35 2o8yA1 GLU 363 H -0.01 0.43 0.09 -0.55 8.60 8.55 2o8yA1 GLU 363 HA -0.01 0.19 0.53 -0.75 4.29 4.25 2o8yA1 GLU 363 HB2 -0.02 0.03 0.03 -0.04 2.09 2.09 2o8yA1 GLU 363 HB3 -0.02 -0.19 -0.26 -0.04 1.99 1.48 2o8yA1 GLU 363 HG2 -0.01 0.04 -0.12 -0.04 2.34 2.20 2o8yA1 GLU 363 HG3 -0.01 0.09 0.01 -0.04 2.34 2.38 2o8yA1 ILE 364 H -0.01 0.79 0.17 -0.55 8.25 8.65 2o8yA1 ILE 364 HA 0.00 0.09 0.89 -0.75 4.18 4.41 2o8yA1 ILE 364 HB -0.00 0.04 0.19 -0.04 1.89 2.08 2o8yA1 ILE 364 HG12 0.00 0.14 -0.21 -0.04 1.49 1.38 2o8yA1 ILE 364 HG13 0.01 -0.05 -0.11 -0.04 1.21 1.02 2o8yA1 ILE 364 HG23 0.01 -0.03 -0.17 -0.04 0.93 0.71 2o8yA1 ILE 364 HD13 0.01 0.02 -0.09 -0.04 0.88 0.78 2o8yA1 THR 365 H 0.00 0.22 0.08 -0.55 8.28 8.04 2o8yA1 THR 365 HA -0.03 0.25 0.60 -0.75 4.39 4.46 2o8yA1 THR 365 HB -0.02 0.29 -0.06 -0.04 4.32 4.48 2o8yA1 THR 365 HG23 -0.01 -0.05 -0.22 -0.04 1.22 0.90 2o8yA1 PRO 366 HA -0.12 0.01 0.50 -0.51 4.44 4.33 2o8yA1 PRO 366 HB2 -0.58 -0.01 0.04 -0.04 2.28 1.69 2o8yA1 PRO 366 HB3 -0.68 0.14 0.12 -0.04 2.02 1.55 2o8yA1 PRO 366 HG2 -0.12 0.00 0.09 -0.04 2.03 1.96 2o8yA1 PRO 366 HG3 -0.16 0.11 0.07 -0.04 2.03 2.01 2o8yA1 PRO 366 HD2 -0.06 0.19 0.25 -0.04 3.68 4.02 2o8yA1 PRO 366 HD3 -0.09 0.21 0.09 -0.04 3.65 3.82 2o8yA1 LYS 367 H -0.03 0.16 -0.31 -0.55 8.42 7.69 2o8yA1 LYS 367 HA 0.04 0.09 0.37 -0.75 4.32 4.07 2o8yA1 LYS 367 HB2 0.00 -0.05 -0.01 -0.04 1.87 1.77 2o8yA1 LYS 367 HB3 0.03 0.05 -0.01 -0.04 1.79 1.82 2o8yA1 LYS 367 HG2 0.00 0.06 -0.10 -0.04 1.46 1.39 2o8yA1 LYS 367 HG3 0.02 0.09 0.03 -0.04 1.46 1.56 2o8yA1 LYS 367 HD2 -0.03 -0.08 -0.02 -0.04 1.69 1.53 2o8yA1 LYS 367 HD3 -0.02 -0.04 -0.00 -0.04 1.68 1.57 2o8yA1 LYS 367 HE2 -0.01 0.08 -0.02 -0.04 2.99 3.00 2o8yA1 LYS 367 HE3 -0.02 -0.01 -0.01 -0.04 2.99 2.90 2o8yA1 SER 368 H 0.03 0.43 -0.37 -0.55 8.46 8.00 2o8yA1 SER 368 HA 0.08 0.11 0.55 -0.75 4.49 4.47 2o8yA1 SER 368 HB2 0.05 0.11 0.13 -0.04 3.95 4.20 2o8yA1 SER 368 HB3 0.05 0.07 0.03 -0.04 3.93 4.04 2o8yA1 ASP 369 H 0.12 0.27 -0.06 -0.55 8.40 8.18 2o8yA1 ASP 369 HA 0.12 -0.01 0.48 -0.75 4.63 4.47 2o8yA1 ASP 369 HB2 0.32 0.24 0.25 -0.04 2.71 3.49 2o8yA1 ASP 369 HB3 0.10 -0.00 0.06 -0.04 2.70 2.82 2o8yA1 ILE 370 H 0.17 0.32 -0.19 -0.55 8.25 8.00 2o8yA1 ILE 370 HA 0.17 -0.04 0.35 -0.75 4.18 3.90 2o8yA1 ILE 370 HB 0.14 0.25 0.16 -0.04 1.89 2.39 2o8yA1 ILE 370 HG12 0.18 0.05 0.10 -0.04 1.49 1.78 2o8yA1 ILE 370 HG13 0.11 0.09 0.06 -0.04 1.21 1.43 2o8yA1 ILE 370 HG23 0.12 0.05 -0.05 -0.04 0.93 1.01 2o8yA1 ILE 370 HD13 0.10 -0.06 -0.06 -0.04 0.88 0.82 2o8yA1 TYR 371 H 0.25 0.27 -0.17 -0.55 8.29 8.08 2o8yA1 TYR 371 HA 0.06 0.30 0.39 -0.75 4.56 4.55 2o8yA1 TYR 371 HB2 0.05 0.02 0.22 -0.04 3.06 3.31 2o8yA1 TYR 371 HB3 0.06 0.12 0.29 -0.04 2.98 3.41 2o8yA1 TYR 371 HD2 0.05 0.22 -0.16 -0.04 7.15 7.21 2o8yA1 TYR 371 HE2 0.01 0.04 -0.29 -0.04 6.85 6.56 2o8yA1 SER 372 H 0.26 0.47 -0.02 -0.55 8.46 8.63 2o8yA1 SER 372 HA 0.25 0.16 0.54 -0.75 4.49 4.69 2o8yA1 SER 372 HB2 0.13 0.01 0.26 -0.04 3.95 4.31 2o8yA1 SER 372 HB3 0.10 0.10 0.07 -0.04 3.93 4.16 2o8yA1 PHE 373 H 0.23 0.64 -0.14 -0.55 8.34 8.52 2o8yA1 PHE 373 HA -0.03 -0.08 0.32 -0.75 4.62 4.09 2o8yA1 PHE 373 HB2 -0.03 -0.00 0.06 -0.04 3.15 3.15 2o8yA1 PHE 373 HB3 -0.01 0.21 0.09 -0.04 3.06 3.30 2o8yA1 PHE 373 HD2 -0.04 -0.01 -0.07 -0.04 7.28 7.12 2o8yA1 PHE 373 HE2 -0.05 0.01 -0.09 -0.04 7.38 7.21 2o8yA1 PHE 373 HZ -0.05 0.22 0.02 -0.04 7.32 7.47 2o8yA1 GLY 374 H 0.02 0.52 -0.38 -0.55 8.43 8.04 2o8yA1 GLY 374 HA2 -0.23 -0.06 0.41 -0.51 4.01 3.62 2o8yA1 GLY 374 HA3 -0.19 0.16 0.28 -0.51 4.01 3.74 2o8yA1 VAL 375 H -0.09 0.49 -0.16 -0.55 8.24 7.93 2o8yA1 VAL 375 HA -0.15 0.01 0.44 -0.75 4.13 3.67 2o8yA1 VAL 375 HB 0.16 0.13 0.18 -0.04 2.12 2.55 2o8yA1 VAL 375 HG13 -0.34 -0.04 -0.02 -0.04 0.97 0.54 2o8yA1 VAL 375 HG23 -0.14 0.06 0.12 -0.04 0.95 0.95 2o8yA1 VAL 376 H 0.02 0.47 -0.22 -0.55 8.24 7.96 2o8yA1 VAL 376 HA 0.07 -0.08 0.39 -0.75 4.13 3.75 2o8yA1 VAL 376 HB -0.11 0.23 0.12 -0.04 2.12 2.32 2o8yA1 VAL 376 HG13 -0.01 -0.02 -0.16 -0.04 0.97 0.74 2o8yA1 VAL 376 HG23 0.08 -0.01 -0.10 -0.04 0.95 0.88 2o8yA1 LEU 377 H -0.33 0.58 -0.18 -0.55 8.37 7.90 2o8yA1 LEU 377 HA -0.22 0.02 0.44 -0.75 4.35 3.83 2o8yA1 LEU 377 HB2 -0.27 0.14 0.14 -0.04 1.64 1.61 2o8yA1 LEU 377 HB3 -0.17 -0.02 0.02 -0.04 1.64 1.42 2o8yA1 LEU 377 HG -1.01 0.16 -0.04 -0.04 1.64 0.71 2o8yA1 LEU 377 HD13 -0.25 -0.02 -0.15 -0.04 0.93 0.48 2o8yA1 LEU 377 HD23 -0.38 -0.01 -0.05 -0.04 0.89 0.42 2o8yA1 LEU 378 H -0.12 0.43 -0.31 -0.55 8.37 7.82 2o8yA1 LEU 378 HA -0.00 0.04 0.46 -0.75 4.35 4.09 2o8yA1 LEU 378 HB2 -0.10 0.15 0.10 -0.04 1.64 1.76 2o8yA1 LEU 378 HB3 -0.07 -0.05 -0.04 -0.04 1.64 1.44 2o8yA1 LEU 378 HG -0.16 0.20 0.01 -0.04 1.64 1.65 2o8yA1 LEU 378 HD13 -0.13 -0.03 -0.13 -0.04 0.93 0.60 2o8yA1 LEU 378 HD23 -0.07 -0.02 -0.07 -0.04 0.89 0.68 2o8yA1 GLU 379 H -0.04 0.37 -0.19 -0.55 8.60 8.20 2o8yA1 GLU 379 HA 0.00 0.15 0.44 -0.75 4.29 4.13 2o8yA1 GLU 379 HB2 0.02 0.14 0.17 -0.04 2.09 2.37 2o8yA1 GLU 379 HB3 0.03 -0.04 -0.05 -0.04 1.99 1.88 2o8yA1 GLU 379 HG2 0.00 0.20 0.04 -0.04 2.34 2.54 2o8yA1 GLU 379 HG3 0.01 0.16 0.02 -0.04 2.34 2.50 2o8yA1 ILE 380 H -0.02 0.46 -0.19 -0.55 8.25 7.95 2o8yA1 ILE 380 HA 0.02 0.03 0.40 -0.75 4.18 3.88 2o8yA1 ILE 380 HB -0.04 0.12 0.15 -0.04 1.89 2.08 2o8yA1 ILE 380 HG12 -0.03 -0.06 -0.01 -0.04 1.49 1.35 2o8yA1 ILE 380 HG13 -0.05 0.29 0.08 -0.04 1.21 1.49 2o8yA1 ILE 380 HG23 -0.09 0.00 -0.09 -0.04 0.93 0.71 2o8yA1 ILE 380 HD13 -0.10 -0.02 -0.08 -0.04 0.88 0.64 2o8yA1 ILE 381 H 0.08 0.38 -0.23 -0.55 8.25 7.93 2o8yA1 ILE 381 HA 0.37 0.05 0.43 -0.75 4.18 4.28 2o8yA1 ILE 381 HB 0.12 0.03 0.17 -0.04 1.89 2.17 2o8yA1 ILE 381 HG12 0.39 -0.03 0.03 -0.04 1.49 1.84 2o8yA1 ILE 381 HG13 0.19 0.09 0.07 -0.04 1.21 1.52 2o8yA1 ILE 381 HG23 0.11 -0.02 -0.21 -0.04 0.93 0.77 2o8yA1 ILE 381 HD13 0.19 -0.02 -0.00 -0.04 0.88 1.02 2o8yA1 THR 382 H 0.07 0.48 -0.06 -0.55 8.28 8.23 2o8yA1 THR 382 HA 0.09 0.19 0.86 -0.75 4.39 4.78 2o8yA1 THR 382 HB 0.12 0.05 0.11 -0.04 4.32 4.56 2o8yA1 THR 382 HG23 0.07 -0.02 -0.11 -0.04 1.22 1.11 2o8yA1 GLY 383 H 0.06 0.57 -0.04 -0.55 8.43 8.47 2o8yA1 GLY 383 HA2 0.05 0.05 0.36 -0.51 4.01 3.96 2o8yA1 GLY 383 HA3 0.05 0.02 0.54 -0.51 4.01 4.11 2o8yA1 LEU 384 H 0.04 0.02 -0.33 -0.55 8.37 7.54 2o8yA1 LEU 384 HA 0.03 0.20 0.77 -0.75 4.35 4.60 2o8yA1 LEU 384 HB2 0.01 -0.08 -0.08 -0.04 1.64 1.46 2o8yA1 LEU 384 HB3 0.02 0.03 -0.06 -0.04 1.64 1.59 2o8yA1 LEU 384 HG 0.08 0.17 -0.18 -0.04 1.64 1.66 2o8yA1 LEU 384 HD13 0.13 -0.02 -0.06 -0.04 0.93 0.95 2o8yA1 LEU 384 HD23 0.05 0.01 -0.07 -0.04 0.89 0.83 2o8yA1 PRO 385 HA 0.01 -0.01 0.45 -0.51 4.44 4.38 2o8yA1 PRO 385 HB2 -0.00 -0.04 0.01 -0.04 2.28 2.21 2o8yA1 PRO 385 HB3 0.01 0.04 0.08 -0.04 2.02 2.11 2o8yA1 PRO 385 HG2 -0.01 0.00 -0.10 -0.04 2.03 1.89 2o8yA1 PRO 385 HG3 0.01 0.04 0.03 -0.04 2.03 2.06 2o8yA1 PRO 385 HD2 0.02 0.11 0.17 -0.04 3.68 3.94 2o8yA1 PRO 385 HD3 0.02 0.24 0.17 -0.04 3.65 4.03 2o8yA1 ALA 386 H -0.03 0.06 0.13 -0.55 8.40 8.01 2o8yA1 ALA 386 HA -0.18 0.09 0.33 -0.75 4.34 3.82 2o8yA1 ALA 386 HB3 -0.48 0.00 0.04 -0.04 1.41 0.93 2o8yA1 VAL 387 H -0.06 0.11 -0.28 -0.55 8.24 7.47 2o8yA1 VAL 387 HA -0.07 0.36 0.90 -0.75 4.13 4.57 2o8yA1 VAL 387 HB -0.07 -0.02 -0.10 -0.04 2.12 1.89 2o8yA1 VAL 387 HG13 -0.03 -0.04 -0.04 -0.04 0.97 0.82 2o8yA1 VAL 387 HG23 -0.05 0.00 -0.16 -0.04 0.95 0.70 2o8yA1 ASP 388 H -0.04 0.74 0.11 -0.55 8.40 8.66 2o8yA1 ASP 388 HA -0.06 0.02 0.69 -0.75 4.63 4.52 2o8yA1 ASP 388 HB2 -0.01 0.07 -0.24 -0.04 2.71 2.48 2o8yA1 ASP 388 HB3 -0.01 0.07 -0.06 -0.04 2.70 2.67 2o8yA1 GLU 389 H -0.16 0.13 0.04 -0.55 8.60 8.07 2o8yA1 GLU 389 HA -0.08 0.04 0.40 -0.75 4.29 3.89 2o8yA1 GLU 389 HB2 -0.19 0.02 0.03 -0.04 2.09 1.91 2o8yA1 GLU 389 HB3 -0.16 -0.00 0.11 -0.04 1.99 1.90 2o8yA1 GLU 389 HG2 -0.44 -0.04 0.13 -0.04 2.34 1.95 2o8yA1 GLU 389 HG3 -1.50 0.03 0.02 -0.04 2.34 0.85 2o8yA1 HIS 390 H -0.36 0.05 -0.22 -0.55 8.41 7.33 2o8yA1 HIS 390 HA 0.00 0.09 0.56 -0.75 4.63 4.53 2o8yA1 HIS 390 HB2 0.01 0.03 0.18 -0.04 3.26 3.44 2o8yA1 HIS 390 HB3 0.01 0.02 0.09 -0.04 3.20 3.27 2o8yA1 HIS 390 HD2 0.01 0.04 0.03 -0.04 6.97 7.00 2o8yA1 HIS 390 HE1 0.00 0.00 -0.03 -0.04 7.75 7.68 2o8yA1 ARG 391 H 0.05 0.50 0.03 -0.55 8.46 8.49 2o8yA1 ARG 391 HA 0.05 -0.00 0.33 -0.75 4.34 3.96 2o8yA1 ARG 391 HB2 0.04 0.08 -0.27 -0.04 1.90 1.71 2o8yA1 ARG 391 HB3 0.01 0.16 -0.18 -0.04 1.80 1.76 2o8yA1 ARG 391 HG2 0.05 0.13 -0.21 -0.04 1.67 1.59 2o8yA1 ARG 391 HG3 0.06 -0.07 0.03 -0.04 1.67 1.65 2o8yA1 ARG 391 HD2 0.06 -0.01 -0.11 -0.04 3.22 3.12 2o8yA1 ARG 391 HD3 0.03 -0.05 -0.09 -0.04 3.22 3.07 2o8yA1 GLU 392 H 0.05 0.24 -0.00 -0.55 8.60 8.34 2o8yA1 GLU 392 HA 0.02 -0.01 0.77 -0.75 4.29 4.32 2o8yA1 GLU 392 HB2 0.03 -0.02 -0.17 -0.04 2.09 1.89 2o8yA1 GLU 392 HB3 0.04 0.03 0.11 -0.04 1.99 2.12 2o8yA1 GLU 392 HG2 0.02 -0.02 -0.03 -0.04 2.34 2.27 2o8yA1 GLU 392 HG3 0.03 0.02 -0.13 -0.04 2.34 2.22 2o8yA1 PRO 393 HA 0.01 0.07 0.33 -0.51 4.44 4.34 2o8yA1 PRO 393 HB2 -0.02 -0.11 0.03 -0.04 2.28 2.15 2o8yA1 PRO 393 HB3 -0.00 0.03 0.04 -0.04 2.02 2.05 2o8yA1 PRO 393 HG2 -0.05 0.12 -0.22 -0.04 2.03 1.84 2o8yA1 PRO 393 HG3 -0.04 -0.07 -0.22 -0.04 2.03 1.66 2o8yA1 PRO 393 HD2 0.04 0.16 0.23 -0.04 3.68 4.07 2o8yA1 PRO 393 HD3 0.04 0.07 0.08 -0.04 3.65 3.80 2o8yA1 GLN 394 H -0.01 0.06 0.10 -0.55 8.47 8.08 2o8yA1 GLN 394 HA -0.01 0.36 0.46 -0.75 4.36 4.41 2o8yA1 GLN 394 HB2 -0.02 -0.09 0.08 -0.04 2.15 2.08 2o8yA1 GLN 394 HB3 -0.03 -0.11 -0.06 -0.04 2.02 1.77 2o8yA1 GLN 394 HG2 -0.01 0.32 0.19 -0.04 2.40 2.86 2o8yA1 GLN 394 HG3 -0.00 -0.07 0.14 -0.04 2.39 2.42 2o8yA1 GLN 394 HE21 -0.00 -0.06 0.05 -0.04 6.97 6.92 2o8yA1 GLN 394 HE22 0.00 -0.01 0.08 -0.04 7.69 7.71 2o8yA1 LEU 395 H -0.03 0.02 -0.12 -0.55 8.37 7.69 2o8yA1 LEU 395 HA -0.07 0.30 0.96 -0.75 4.35 4.79 2o8yA1 LEU 395 HB2 -0.03 -0.07 0.11 -0.04 1.64 1.61 2o8yA1 LEU 395 HB3 -0.05 -0.07 0.00 -0.04 1.64 1.48 2o8yA1 LEU 395 HG -0.06 0.08 0.04 -0.04 1.64 1.66 2o8yA1 LEU 395 HD13 -0.05 0.01 -0.11 -0.04 0.93 0.74 2o8yA1 LEU 395 HD23 -0.02 -0.00 -0.04 -0.04 0.89 0.78 2o8yA1 LEU 396 H -0.11 0.72 0.19 -0.55 8.37 8.64 2o8yA1 LEU 396 HA -0.12 0.08 0.21 -0.75 4.35 3.77 2o8yA1 LEU 396 HB2 -0.11 0.18 0.00 -0.04 1.64 1.67 2o8yA1 LEU 396 HB3 -0.15 -0.06 0.08 -0.04 1.64 1.47 2o8yA1 LEU 396 HG -0.13 -0.07 -0.22 -0.04 1.64 1.18 2o8yA1 LEU 396 HD13 -0.11 0.02 -0.11 -0.04 0.93 0.68 2o8yA1 LEU 396 HD23 -0.08 0.04 -0.32 -0.04 0.89 0.49 2o8yA1 LEU 397 H -0.12 0.16 -0.19 -0.55 8.37 7.67 2o8yA1 LEU 397 HA -0.13 0.09 0.34 -0.75 4.35 3.89 2o8yA1 LEU 397 HB2 -0.07 0.03 0.02 -0.04 1.64 1.59 2o8yA1 LEU 397 HB3 -0.11 0.08 0.10 -0.04 1.64 1.67 2o8yA1 LEU 397 HG -0.05 -0.16 -0.07 -0.04 1.64 1.32 2o8yA1 LEU 397 HD13 0.02 0.00 -0.18 -0.04 0.93 0.74 2o8yA1 LEU 397 HD23 0.02 0.07 0.00 -0.04 0.89 0.94 2o8yA1 ASP 398 H -0.07 0.45 -0.37 -0.55 8.40 7.87 2o8yA1 ASP 398 HA -0.03 0.06 0.51 -0.75 4.63 4.41 2o8yA1 ASP 398 HB2 -0.04 0.17 0.08 -0.04 2.71 2.88 2o8yA1 ASP 398 HB3 -0.02 -0.06 0.09 -0.04 2.70 2.67 2o8yA1 ILE 399 H -0.13 0.70 -0.21 -0.55 8.25 8.06 2o8yA1 ILE 399 HA -0.10 0.02 0.40 -0.75 4.18 3.75 2o8yA1 ILE 399 HB -0.73 -0.04 0.04 -0.04 1.89 1.12 2o8yA1 ILE 399 HG12 -0.20 0.29 0.03 -0.04 1.49 1.56 2o8yA1 ILE 399 HG13 -0.12 -0.06 -0.42 -0.04 1.21 0.57 2o8yA1 ILE 399 HG23 -0.46 0.06 0.02 -0.04 0.93 0.51 2o8yA1 ILE 399 HD13 -0.39 -0.01 -0.08 -0.04 0.88 0.36 2o8yA1 LYS 400 H -0.06 0.38 -0.48 -0.55 8.42 7.71 2o8yA1 LYS 400 HA 0.13 0.06 0.38 -0.75 4.32 4.13 2o8yA1 LYS 400 HB2 -0.07 0.04 0.07 -0.04 1.87 1.88 2o8yA1 LYS 400 HB3 -0.05 0.15 0.13 -0.04 1.79 1.98 2o8yA1 LYS 400 HG2 -0.02 -0.07 -0.27 -0.04 1.46 1.06 2o8yA1 LYS 400 HG3 -0.02 -0.03 0.02 -0.04 1.46 1.38 2o8yA1 LYS 400 HD2 -0.14 0.02 -0.00 -0.04 1.69 1.53 2o8yA1 LYS 400 HD3 -0.08 0.05 -0.01 -0.04 1.68 1.60 2o8yA1 LYS 400 HE2 -0.08 -0.06 -0.05 -0.04 2.99 2.76 2o8yA1 LYS 400 HE3 -0.10 0.15 -0.16 -0.04 2.99 2.84 2o8yA1 GLU 401 H -0.01 0.34 -0.18 -0.55 8.60 8.21 2o8yA1 GLU 401 HA 0.00 0.07 0.55 -0.75 4.29 4.15 2o8yA1 GLU 401 HB2 -0.01 0.15 0.17 -0.04 2.09 2.37 2o8yA1 GLU 401 HB3 0.00 -0.01 -0.03 -0.04 1.99 1.91 2o8yA1 GLU 401 HG2 -0.01 -0.00 0.03 -0.04 2.34 2.32 2o8yA1 GLU 401 HG3 -0.01 -0.02 0.04 -0.04 2.34 2.32 2o8yA1 GLU 402 H 0.01 0.33 -0.18 -0.55 8.60 8.21 2o8yA1 GLU 402 HA 0.03 0.02 0.36 -0.75 4.29 3.95 2o8yA1 GLU 402 HB2 0.06 0.12 0.10 -0.04 2.09 2.33 2o8yA1 GLU 402 HB3 0.10 -0.02 -0.11 -0.04 1.99 1.92 2o8yA1 GLU 402 HG2 0.04 -0.03 -0.03 -0.04 2.34 2.28 2o8yA1 GLU 402 HG3 0.03 -0.00 -0.01 -0.04 2.34 2.32 2o8yA1 ILE 403 H 0.04 0.36 -0.46 -0.55 8.25 7.64 2o8yA1 ILE 403 HA 0.02 0.34 0.55 -0.75 4.18 4.34 2o8yA1 ILE 403 HB 0.09 0.10 0.08 -0.04 1.89 2.12 2o8yA1 ILE 403 HG12 0.03 -0.09 -0.41 -0.04 1.49 0.97 2o8yA1 ILE 403 HG13 0.05 0.27 -0.09 -0.04 1.21 1.41 2o8yA1 ILE 403 HG23 -0.11 -0.03 -0.08 -0.04 0.93 0.67 2o8yA1 ILE 403 HD13 -0.13 -0.03 -0.16 -0.04 0.88 0.52 2o8yA1 GLU 404 H 0.04 0.42 -0.08 -0.55 8.60 8.44 2o8yA1 GLU 404 HA 0.03 0.06 0.52 -0.75 4.29 4.15 2o8yA1 GLU 404 HB2 0.01 0.01 0.19 -0.04 2.09 2.27 2o8yA1 GLU 404 HB3 0.01 -0.05 0.05 -0.04 1.99 1.96 2o8yA1 GLU 404 HG2 0.05 -0.04 0.05 -0.04 2.34 2.35 2o8yA1 GLU 404 HG3 0.05 0.31 0.13 -0.04 2.34 2.79 2o8yA1 ASP 405 H 0.01 0.63 -0.19 -0.55 8.40 8.31 2o8yA1 ASP 405 HA 0.01 0.04 0.44 -0.75 4.63 4.37 2o8yA1 ASP 405 HB2 0.01 0.04 0.07 -0.04 2.71 2.79 2o8yA1 ASP 405 HB3 0.01 -0.05 0.15 -0.04 2.70 2.76 2o8yA1 GLU 406 H 0.01 0.25 -1.35 -0.55 8.60 6.96 2o8yA1 GLU 406 HA -0.00 0.18 0.31 -0.75 4.29 4.03 2o8yA1 GLU 406 HB2 -0.00 -0.00 -0.27 -0.04 2.09 1.78 2o8yA1 GLU 406 HB3 -0.01 -0.08 0.20 -0.04 1.99 2.06 2o8yA1 GLU 406 HG2 -0.01 -0.01 0.09 -0.04 2.34 2.38 2o8yA1 GLU 406 HG3 0.00 0.14 0.04 -0.04 2.34 2.48 2o8yA1 GLU 407 H 0.01 0.32 -0.45 -0.55 8.60 7.94 2o8yA1 GLU 407 HA -0.00 0.10 0.75 -0.75 4.29 4.38 2o8yA1 GLU 407 HB2 0.01 -0.09 0.13 -0.04 2.09 2.10 2o8yA1 GLU 407 HB3 0.01 0.07 0.04 -0.04 1.99 2.06 2o8yA1 GLU 407 HG2 0.02 0.20 0.07 -0.04 2.34 2.59 2o8yA1 GLU 407 HG3 0.03 -0.03 -0.23 -0.04 2.34 2.06 2o8yA1 LYS 408 H 0.01 0.36 -0.05 -0.55 8.42 8.19 2o8yA1 LYS 408 HA -0.02 0.07 0.56 -0.75 4.32 4.19 2o8yA1 LYS 408 HB2 0.06 0.00 -0.36 -0.04 1.87 1.53 2o8yA1 LYS 408 HB3 0.12 -0.03 -0.33 -0.04 1.79 1.51 2o8yA1 LYS 408 HG2 0.18 0.02 -0.09 -0.04 1.46 1.52 2o8yA1 LYS 408 HG3 -0.07 -0.08 0.05 -0.04 1.46 1.32 2o8yA1 LYS 408 HD2 -0.07 0.02 0.11 -0.04 1.69 1.71 2o8yA1 LYS 408 HD3 -0.01 0.00 -0.02 -0.04 1.68 1.62 2o8yA1 LYS 408 HE2 -0.31 0.04 -0.03 -0.04 2.99 2.65 2o8yA1 LYS 408 HE3 -0.31 -0.02 0.01 -0.04 2.99 2.62 2o8yA1 THR 409 H -0.05 0.15 0.11 -0.55 8.28 7.94 2o8yA1 THR 409 HA -0.05 0.32 1.00 -0.75 4.39 4.90 2o8yA1 THR 409 HB -0.05 0.12 -0.03 -0.04 4.32 4.32 2o8yA1 THR 409 HG23 -0.07 -0.07 -0.02 -0.04 1.22 1.01 2o8yA1 ILE 410 H -0.15 0.21 0.15 -0.55 8.25 7.92 2o8yA1 ILE 410 HA -0.09 0.15 0.39 -0.75 4.18 3.88 2o8yA1 ILE 410 HB -0.56 0.06 0.09 -0.04 1.89 1.44 2o8yA1 ILE 410 HG12 -0.26 0.10 -0.08 -0.04 1.49 1.20 2o8yA1 ILE 410 HG13 -0.13 -0.01 -0.19 -0.04 1.21 0.83 2o8yA1 ILE 410 HG23 -0.17 0.01 0.00 -0.04 0.93 0.73 2o8yA1 ILE 410 HD13 -0.24 0.01 -0.01 -0.04 0.88 0.59 2o8yA1 GLU 411 H -0.10 0.04 -0.15 -0.55 8.60 7.85 2o8yA1 GLU 411 HA -0.09 0.12 0.35 -0.75 4.29 3.91 2o8yA1 GLU 411 HB2 -0.08 -0.04 -0.02 -0.04 2.09 1.91 2o8yA1 GLU 411 HB3 -0.08 0.08 0.00 -0.04 1.99 1.95 2o8yA1 GLU 411 HG2 -0.09 -0.08 0.05 -0.04 2.34 2.18 2o8yA1 GLU 411 HG3 -0.07 0.01 0.02 -0.04 2.34 2.26 2o8yA1 ASP 412 H -0.10 0.10 -0.54 -0.55 8.40 7.32 2o8yA1 ASP 412 HA -0.16 0.05 0.41 -0.75 4.63 4.18 2o8yA1 ASP 412 HB2 -0.30 0.22 0.08 -0.04 2.71 2.67 2o8yA1 ASP 412 HB3 -0.38 0.02 0.05 -0.04 2.70 2.35 2o8yA1 TYR 413 H -0.01 0.26 -0.38 -0.55 8.29 7.61 2o8yA1 TYR 413 HA -0.02 0.21 0.88 -0.75 4.56 4.88 2o8yA1 TYR 413 HB2 -0.05 0.00 0.05 -0.04 3.06 3.02 2o8yA1 TYR 413 HB3 -0.01 -0.03 -0.01 -0.04 2.98 2.90 2o8yA1 TYR 413 HD2 -0.03 0.04 -0.07 -0.04 7.15 7.06 2o8yA1 TYR 413 HE2 -0.01 -0.02 -0.08 -0.04 6.85 6.69 2o8yA1 ILE 414 H -0.01 0.14 -0.09 -0.55 8.25 7.74 2o8yA1 ILE 414 HA 0.02 0.09 0.31 -0.75 4.18 3.85 2o8yA1 ILE 414 HB -0.07 0.02 0.05 -0.04 1.89 1.85 2o8yA1 ILE 414 HG12 -0.11 0.02 -0.05 -0.04 1.49 1.31 2o8yA1 ILE 414 HG13 -0.06 0.21 -0.03 -0.04 1.21 1.29 2o8yA1 ILE 414 HG23 -0.12 0.04 -0.12 -0.04 0.93 0.69 2o8yA1 ILE 414 HD13 -0.15 -0.05 -0.08 -0.04 0.88 0.57 2o8yA1 ASP 415 H 0.06 0.68 0.43 -0.55 8.40 9.02 2o8yA1 ASP 415 HA 0.04 0.12 0.49 -0.75 4.63 4.52 2o8yA1 ASP 415 HB2 0.08 0.04 -0.28 -0.04 2.71 2.52 2o8yA1 ASP 415 HB3 0.09 -0.06 0.07 -0.04 2.70 2.76 2o8yA1 LYS 416 H 0.01 0.17 0.21 -0.55 8.42 8.26 2o8yA1 LYS 416 HA -0.01 0.13 0.59 -0.75 4.32 4.28 2o8yA1 LYS 416 HB2 -0.00 -0.01 0.11 -0.04 1.87 1.92 2o8yA1 LYS 416 HB3 -0.01 -0.07 0.16 -0.04 1.79 1.82 2o8yA1 LYS 416 HG2 -0.03 -0.05 0.03 -0.04 1.46 1.36 2o8yA1 LYS 416 HG3 -0.02 0.27 0.02 -0.04 1.46 1.68 2o8yA1 LYS 416 HD2 -0.02 0.00 0.04 -0.04 1.69 1.67 2o8yA1 LYS 416 HD3 -0.02 -0.09 0.03 -0.04 1.68 1.56 2o8yA1 LYS 416 HE2 -0.04 -0.08 0.02 -0.04 2.99 2.84 2o8yA1 LYS 416 HE3 -0.04 -0.07 0.01 -0.04 2.99 2.85 2o8yA1 LYS 417 H 0.03 0.12 -0.42 -0.55 8.42 7.59 2o8yA1 LYS 417 HA 0.02 0.17 0.61 -0.75 4.32 4.36 2o8yA1 LYS 417 HB2 0.03 0.07 0.06 -0.04 1.87 2.00 2o8yA1 LYS 417 HB3 0.02 0.01 0.07 -0.04 1.79 1.85 2o8yA1 LYS 417 HG2 0.01 -0.01 -0.08 -0.04 1.46 1.35 2o8yA1 LYS 417 HG3 0.02 -0.06 -0.07 -0.04 1.46 1.31 2o8yA1 LYS 417 HD2 0.02 -0.00 -0.00 -0.04 1.69 1.66 2o8yA1 LYS 417 HD3 0.02 -0.04 -0.01 -0.04 1.68 1.60 2o8yA1 LYS 417 HE2 0.03 0.01 0.03 -0.04 2.99 3.02 2o8yA1 LYS 417 HE3 0.02 0.04 -0.01 -0.04 2.99 3.00 2o8yA1 ASN 419 HA -0.01 0.01 0.20 -0.75 4.76 4.21 2o8yA1 ASN 419 HB2 -0.00 -0.03 0.12 -0.04 2.88 2.93 2o8yA1 ASN 419 HB3 0.00 0.05 0.05 -0.04 2.79 2.85 2o8yA1 ASN 419 HD21 0.01 -0.01 -0.04 -0.04 7.03 6.95 2o8yA1 ASN 419 HD22 0.00 0.01 -0.01 -0.04 7.74 7.70 2o8yA1 ASP 420 H 0.07 0.24 0.13 -0.55 8.40 8.30 2o8yA1 ASP 420 HA 0.03 0.21 0.90 -0.75 4.63 5.02 2o8yA1 ASP 420 HB2 0.10 -0.02 0.21 -0.04 2.71 2.96 2o8yA1 ASP 420 HB3 0.06 0.06 -0.00 -0.04 2.70 2.78 2o8yA1 ALA 421 H -0.07 0.23 -0.15 -0.55 8.40 7.87 2o8yA1 ALA 421 HA -0.62 0.13 0.82 -0.75 4.34 3.92 2o8yA1 ALA 421 HB3 -0.59 0.04 0.03 -0.04 1.41 0.84 2o8yA1 ASP 422 H -0.19 0.22 0.11 -0.55 8.40 7.99 2o8yA1 ASP 422 HA -0.12 0.10 0.50 -0.75 4.63 4.35 2o8yA1 ASP 422 HB2 -0.04 -0.06 0.08 -0.04 2.71 2.66 2o8yA1 ASP 422 HB3 -0.02 0.12 0.09 -0.04 2.70 2.84 2o8yA1 SER 423 H -0.12 0.19 0.19 -0.55 8.46 8.17 2o8yA1 SER 423 HA -0.18 0.12 0.33 -0.75 4.49 4.01 2o8yA1 SER 423 HB2 -0.09 0.07 0.15 -0.04 3.95 4.04 2o8yA1 SER 423 HB3 -0.07 -0.03 0.09 -0.04 3.93 3.88 2o8yA1 THR 424 H -0.05 0.04 -0.34 -0.55 8.28 7.38 2o8yA1 THR 424 HA -0.01 0.10 0.41 -0.75 4.39 4.13 2o8yA1 THR 424 HB 0.02 -0.02 0.07 -0.04 4.32 4.34 2o8yA1 THR 424 HG23 0.03 0.03 -0.10 -0.04 1.22 1.13 2o8yA1 SER 425 H 0.03 0.12 -0.05 -0.55 8.46 8.01 2o8yA1 SER 425 HA 0.13 0.12 0.51 -0.75 4.49 4.50 2o8yA1 SER 425 HB2 0.34 0.11 0.07 -0.04 3.95 4.42 2o8yA1 SER 425 HB3 0.19 -0.01 0.07 -0.04 3.93 4.14 2o8yA1 VAL 426 H -0.15 0.28 -0.35 -0.55 8.24 7.47 2o8yA1 VAL 426 HA -0.11 0.11 0.39 -0.75 4.13 3.77 2o8yA1 VAL 426 HB -0.25 -0.04 -0.01 -0.04 2.12 1.78 2o8yA1 VAL 426 HG13 -0.24 0.00 -0.13 -0.04 0.97 0.56 2o8yA1 VAL 426 HG23 -1.10 0.10 -0.20 -0.04 0.95 -0.28 2o8yA1 GLU 427 H -0.04 0.40 -0.14 -0.55 8.60 8.28 2o8yA1 GLU 427 HA 0.05 -0.01 0.40 -0.75 4.29 3.98 2o8yA1 GLU 427 HB2 -0.03 -0.09 0.11 -0.04 2.09 2.04 2o8yA1 GLU 427 HB3 0.00 0.17 0.19 -0.04 1.99 2.31 2o8yA1 GLU 427 HG2 0.01 -0.06 -0.03 -0.04 2.34 2.22 2o8yA1 GLU 427 HG3 0.05 0.03 -0.32 -0.04 2.34 2.07 2o8yA1 ALA 428 H 0.08 0.27 -0.43 -0.55 8.40 7.77 2o8yA1 ALA 428 HA 0.08 -0.03 0.26 -0.75 4.34 3.90 2o8yA1 ALA 428 HB3 0.09 0.05 0.09 -0.04 1.41 1.60 2o8yA1 TYR 430 HA 0.00 -0.10 0.28 -0.75 4.56 4.00 2o8yA1 TYR 430 HB2 0.01 0.06 0.08 -0.04 3.06 3.17 2o8yA1 TYR 430 HB3 0.01 0.10 0.07 -0.04 2.98 3.12 2o8yA1 TYR 430 HD2 -0.01 0.06 -0.15 -0.04 7.15 7.01 2o8yA1 TYR 430 HE2 -0.04 0.02 -0.08 -0.04 6.85 6.71 2o8yA1 SER 431 H 0.12 0.56 -1.38 -0.55 8.46 7.22 2o8yA1 SER 431 HA 0.04 -0.03 0.41 -0.75 4.49 4.15 2o8yA1 SER 431 HB2 0.09 0.05 0.07 -0.04 3.95 4.12 2o8yA1 SER 431 HB3 0.06 0.23 0.16 -0.04 3.93 4.34 2o8yA1 VAL 432 H 0.00 0.49 0.22 -0.55 8.24 8.41 2o8yA1 VAL 432 HA -0.00 0.03 0.44 -0.75 4.13 3.84 2o8yA1 VAL 432 HB -0.02 0.03 -0.02 -0.04 2.12 2.07 2o8yA1 VAL 432 HG13 0.03 -0.01 -0.12 -0.04 0.97 0.83 2o8yA1 VAL 432 HG23 0.03 0.08 -0.02 -0.04 0.95 1.01 2o8yA1 ALA 433 H -0.13 0.18 -0.26 -0.55 8.40 7.65 2o8yA1 ALA 433 HA -0.18 0.00 0.39 -0.75 4.34 3.80 2o8yA1 ALA 433 HB3 -0.27 0.06 0.05 -0.04 1.41 1.20 2o8yA1 SER 434 H -0.42 0.77 -0.12 -0.55 8.46 8.14 2o8yA1 SER 434 HA -0.28 -0.02 0.33 -0.75 4.49 3.76 2o8yA1 SER 434 HB2 -0.49 0.01 0.09 -0.04 3.95 3.52 2o8yA1 SER 434 HB3 -0.17 0.14 0.14 -0.04 3.93 3.99 2o8yA1 GLN 435 H -0.08 0.44 -0.29 -0.55 8.47 8.00 2o8yA1 GLN 435 HA 0.04 -0.01 0.43 -0.75 4.36 4.07 2o8yA1 GLN 435 HB2 -0.00 0.13 0.18 -0.04 2.15 2.42 2o8yA1 GLN 435 HB3 0.03 -0.06 0.03 -0.04 2.02 1.99 2o8yA1 GLN 435 HG2 0.04 -0.05 0.05 -0.04 2.40 2.40 2o8yA1 GLN 435 HG3 0.01 0.10 0.08 -0.04 2.39 2.53 2o8yA1 GLN 435 HE21 0.03 -0.06 -0.02 -0.04 6.97 6.88 2o8yA1 GLN 435 HE22 0.03 0.02 0.01 -0.04 7.69 7.71 2o8yA1 CYS 436 H -0.06 0.50 -0.18 -0.55 8.50 8.21 2o8yA1 CYS 436 HA 0.05 0.00 0.47 -0.75 4.58 4.35 2o8yA1 CYS 436 HB2 -0.09 0.10 0.19 -0.04 2.97 3.12 2o8yA1 CYS 436 HB3 0.01 0.12 0.02 -0.04 2.97 3.08 2o8yA1 LEU 437 H -0.12 0.40 -0.33 -0.55 8.37 7.77 2o8yA1 LEU 437 HA -0.51 0.10 0.58 -0.75 4.35 3.77 2o8yA1 LEU 437 HB2 -0.19 0.08 0.07 -0.04 1.64 1.56 2o8yA1 LEU 437 HB3 -0.25 -0.11 0.14 -0.04 1.64 1.38 2o8yA1 LEU 437 HG -0.32 0.04 -0.07 -0.04 1.64 1.24 2o8yA1 LEU 437 HD13 -0.24 -0.01 -0.15 -0.04 0.93 0.49 2o8yA1 LEU 437 HD23 -0.77 -0.02 -0.06 -0.04 0.89 -0.00 2o8yA1 HIS 438 H 0.16 0.32 -0.67 -0.55 8.41 7.67 2o8yA1 HIS 438 HA 0.05 -0.02 0.41 -0.75 4.63 4.31 2o8yA1 HIS 438 HB2 0.03 0.23 0.03 -0.04 3.26 3.50 2o8yA1 HIS 438 HB3 0.06 0.01 -0.16 -0.04 3.20 3.06 2o8yA1 HIS 438 HD2 0.02 0.09 0.00 -0.04 6.97 7.03 2o8yA1 HIS 438 HE1 0.02 -0.03 0.03 -0.04 7.75 7.73 2o8yA1 GLU 439 H 0.01 0.10 0.16 -0.55 8.60 8.33 2o8yA1 GLU 439 HA 0.14 0.13 0.37 -0.75 4.29 4.17 2o8yA1 GLU 439 HB2 0.09 -0.05 0.06 -0.04 2.09 2.16 2o8yA1 GLU 439 HB3 0.06 -0.03 0.07 -0.04 1.99 2.04 2o8yA1 GLU 439 HG2 0.02 -0.03 0.04 -0.04 2.34 2.33 2o8yA1 GLU 439 HG3 0.07 0.09 0.05 -0.04 2.34 2.51 2o8yA1 LYS 440 H 0.73 0.09 -0.26 -0.55 8.42 8.43 2o8yA1 LYS 440 HA 0.05 0.11 0.70 -0.75 4.32 4.42 2o8yA1 LYS 440 HB2 -0.24 0.01 0.14 -0.04 1.87 1.74 2o8yA1 LYS 440 HB3 -0.04 -0.02 0.04 -0.04 1.79 1.73 2o8yA1 LYS 440 HG2 0.33 0.00 0.02 -0.04 1.46 1.77 2o8yA1 LYS 440 HG3 0.07 0.04 0.00 -0.04 1.46 1.53 2o8yA1 LYS 440 HD2 0.10 -0.05 -0.41 -0.04 1.69 1.29 2o8yA1 LYS 440 HD3 0.08 0.03 -0.07 -0.04 1.68 1.68 2o8yA1 LYS 440 HE2 0.02 0.01 -0.01 -0.04 2.99 2.96 2o8yA1 LYS 440 HE3 0.02 -0.04 0.04 -0.04 2.99 2.97 2o8yA1 LYS 441 H 0.01 0.22 0.14 -0.55 8.42 8.23 2o8yA1 LYS 441 HA 0.04 0.21 0.25 -0.75 4.32 4.07 2o8yA1 LYS 441 HB2 0.01 -0.02 0.02 -0.04 1.87 1.84 2o8yA1 LYS 441 HB3 -0.01 0.01 0.11 -0.04 1.79 1.86 2o8yA1 LYS 441 HG2 -0.01 -0.08 0.03 -0.04 1.46 1.35 2o8yA1 LYS 441 HG3 -0.01 0.05 -0.25 -0.04 1.46 1.21 2o8yA1 LYS 441 HD2 -0.01 -0.04 -0.07 -0.04 1.69 1.52 2o8yA1 LYS 441 HD3 -0.02 -0.00 -0.01 -0.04 1.68 1.61 2o8yA1 LYS 441 HE2 -0.02 -0.01 -0.07 -0.04 2.99 2.85 2o8yA1 LYS 441 HE3 -0.02 0.07 -0.07 -0.04 2.99 2.93 2o8yA1 ASN 442 H -0.04 0.01 -0.39 -0.55 8.53 7.56 2o8yA1 ASN 442 HA -0.03 0.14 0.55 -0.75 4.76 4.67 2o8yA1 ASN 442 HB2 -0.04 -0.06 0.01 -0.04 2.88 2.75 2o8yA1 ASN 442 HB3 -0.04 0.04 0.03 -0.04 2.79 2.77 2o8yA1 ASN 442 HD21 -0.02 0.02 -0.01 -0.04 7.03 6.98 2o8yA1 ASN 442 HD22 -0.02 -0.01 -0.01 -0.04 7.74 7.66 2o8yA1 LYS 443 H -0.16 0.68 -0.23 -0.55 8.42 8.17 2o8yA1 LYS 443 HA -0.16 0.07 0.60 -0.75 4.32 4.07 2o8yA1 LYS 443 HB2 -0.66 -0.04 0.14 -0.04 1.87 1.27 2o8yA1 LYS 443 HB3 -1.32 0.02 -0.01 -0.04 1.79 0.44 2o8yA1 LYS 443 HG2 -0.54 -0.06 0.03 -0.04 1.46 0.85 2o8yA1 LYS 443 HG3 -0.24 0.03 0.08 -0.04 1.46 1.29 2o8yA1 LYS 443 HD2 -0.13 0.06 -0.13 -0.04 1.69 1.44 2o8yA1 LYS 443 HD3 -0.16 -0.08 -0.04 -0.04 1.68 1.36 2o8yA1 LYS 443 HE2 -0.00 -0.02 -0.01 -0.04 2.99 2.92 2o8yA1 LYS 443 HE3 -0.03 0.02 -0.01 -0.04 2.99 2.93 2o8yA1 ARG 444 H -0.04 0.16 -0.38 -0.55 8.46 7.65 2o8yA1 ARG 444 HA 0.04 0.25 0.65 -0.75 4.34 4.52 2o8yA1 ARG 444 HB2 0.05 -0.03 0.06 -0.04 1.90 1.94 2o8yA1 ARG 444 HB3 0.08 0.05 0.10 -0.04 1.80 1.99 2o8yA1 ARG 444 HG2 0.15 0.07 -0.02 -0.04 1.67 1.83 2o8yA1 ARG 444 HG3 0.07 -0.11 -0.12 -0.04 1.67 1.48 2o8yA1 ARG 444 HD2 0.10 -0.10 0.09 -0.04 3.22 3.27 2o8yA1 ARG 444 HD3 0.19 0.10 0.10 -0.04 3.22 3.56 2o8yA1 PRO 445 HA 0.02 0.04 0.55 -0.51 4.44 4.54 2o8yA1 PRO 445 HB2 0.04 -0.06 -0.00 -0.04 2.28 2.22 2o8yA1 PRO 445 HB3 0.03 0.03 0.05 -0.04 2.02 2.10 2o8yA1 PRO 445 HG2 0.06 -0.01 -0.05 -0.04 2.03 1.99 2o8yA1 PRO 445 HG3 0.04 0.04 -0.03 -0.04 2.03 2.03 2o8yA1 PRO 445 HD2 0.05 0.22 -0.01 -0.04 3.68 3.91 2o8yA1 PRO 445 HD3 0.04 0.18 0.11 -0.04 3.65 3.94 2o8yA1 ASP 446 H 0.03 0.05 0.15 -0.55 8.40 8.08 2o8yA1 ASP 446 HA 0.06 0.23 0.62 -0.75 4.63 4.78 2o8yA1 ASP 446 HB2 0.05 -0.06 0.16 -0.04 2.71 2.81 2o8yA1 ASP 446 HB3 0.03 0.14 0.10 -0.04 2.70 2.93 2o8yA1 ILE 447 H 0.11 0.20 0.13 -0.55 8.25 8.13 2o8yA1 ILE 447 HA 0.02 0.13 0.32 -0.75 4.18 3.90 2o8yA1 ILE 447 HB 0.03 0.05 0.07 -0.04 1.89 2.00 2o8yA1 ILE 447 HG12 -0.23 -0.00 -0.18 -0.04 1.49 1.04 2o8yA1 ILE 447 HG13 -0.09 0.00 -0.13 -0.04 1.21 0.94 2o8yA1 ILE 447 HG23 0.04 0.02 0.03 -0.04 0.93 0.98 2o8yA1 ILE 447 HD13 -0.20 0.00 0.06 -0.04 0.88 0.70 2o8yA1 LYS 448 H 0.03 0.10 -0.15 -0.55 8.42 7.85 2o8yA1 LYS 448 HA 0.01 0.10 0.36 -0.75 4.32 4.03 2o8yA1 LYS 448 HB2 0.02 -0.00 0.09 -0.04 1.87 1.93 2o8yA1 LYS 448 HB3 0.02 0.03 -0.05 -0.04 1.79 1.74 2o8yA1 LYS 448 HG2 0.01 0.03 -0.01 -0.04 1.46 1.46 2o8yA1 LYS 448 HG3 0.01 0.00 0.03 -0.04 1.46 1.46 2o8yA1 LYS 448 HD2 0.00 -0.04 0.01 -0.04 1.69 1.63 2o8yA1 LYS 448 HD3 0.00 0.03 0.02 -0.04 1.68 1.69 2o8yA1 LYS 448 HE2 0.01 0.04 -0.01 -0.04 2.99 2.99 2o8yA1 LYS 448 HE3 0.01 0.01 -0.00 -0.04 2.99 2.97 2o8yA1 LYS 449 H 0.03 0.12 -0.32 -0.55 8.42 7.69 2o8yA1 LYS 449 HA 0.03 0.04 0.45 -0.75 4.32 4.08 2o8yA1 LYS 449 HB2 0.02 -0.07 0.11 -0.04 1.87 1.89 2o8yA1 LYS 449 HB3 0.03 0.15 0.09 -0.04 1.79 2.02 2o8yA1 LYS 449 HG2 0.03 0.03 0.01 -0.04 1.46 1.48 2o8yA1 LYS 449 HG3 0.03 0.05 -0.17 -0.04 1.46 1.33 2o8yA1 LYS 449 HD2 0.03 -0.05 0.14 -0.04 1.69 1.76 2o8yA1 LYS 449 HD3 0.02 -0.01 0.03 -0.04 1.68 1.69 2o8yA1 LYS 449 HE2 0.03 -0.02 0.01 -0.04 2.99 2.97 2o8yA1 LYS 449 HE3 0.02 -0.00 0.01 -0.04 2.99 2.98 2o8yA1 VAL 450 H 0.04 0.44 -0.17 -0.55 8.24 8.00 2o8yA1 VAL 450 HA 0.07 0.03 0.35 -0.75 4.13 3.81 2o8yA1 VAL 450 HB 0.05 0.06 0.12 -0.04 2.12 2.31 2o8yA1 VAL 450 HG13 0.24 -0.01 -0.14 -0.04 0.97 1.02 2o8yA1 VAL 450 HG23 0.10 0.04 -0.13 -0.04 0.95 0.92 2o8yA1 GLN 451 H 0.02 0.60 -0.19 -0.55 8.47 8.35 2o8yA1 GLN 451 HA 0.03 0.03 0.35 -0.75 4.36 4.01 2o8yA1 GLN 451 HB2 0.01 0.15 0.17 -0.04 2.15 2.43 2o8yA1 GLN 451 HB3 0.01 -0.03 -0.07 -0.04 2.02 1.88 2o8yA1 GLN 451 HG2 -0.02 -0.03 -0.16 -0.04 2.40 2.14 2o8yA1 GLN 451 HG3 -0.03 0.10 -0.10 -0.04 2.39 2.32 2o8yA1 GLN 451 HE21 0.01 -0.00 -0.02 -0.04 6.97 6.92 2o8yA1 GLN 451 HE22 -0.01 -0.01 -0.08 -0.04 7.69 7.55 2o8yA1 GLN 452 H 0.03 0.47 -0.12 -0.55 8.47 8.30 2o8yA1 GLN 452 HA 0.02 0.01 0.43 -0.75 4.36 4.06 2o8yA1 GLN 452 HB2 0.03 0.13 0.23 -0.04 2.15 2.50 2o8yA1 GLN 452 HB3 0.02 -0.04 0.00 -0.04 2.02 1.97 2o8yA1 GLN 452 HG2 0.02 -0.04 0.04 -0.04 2.40 2.38 2o8yA1 GLN 452 HG3 0.02 0.09 0.09 -0.04 2.39 2.55 2o8yA1 GLN 452 HE21 0.02 -0.05 -0.08 -0.04 6.97 6.81 2o8yA1 GLN 452 HE22 0.02 0.01 -0.08 -0.04 7.69 7.60 2o8yA1 LEU 453 H 0.04 0.58 -0.02 -0.55 8.37 8.42 2o8yA1 LEU 453 HA 0.04 -0.02 0.39 -0.75 4.35 4.01 2o8yA1 LEU 453 HB2 0.04 0.08 0.09 -0.04 1.64 1.81 2o8yA1 LEU 453 HB3 0.04 0.00 0.02 -0.04 1.64 1.67 2o8yA1 LEU 453 HG 0.03 0.22 0.10 -0.04 1.64 1.96 2o8yA1 LEU 453 HD13 0.03 -0.02 -0.05 -0.04 0.93 0.85 2o8yA1 LEU 453 HD23 0.03 -0.03 0.00 -0.04 0.89 0.85 2o8yA1 LEU 454 H 0.05 0.46 -0.27 -0.55 8.37 8.05 2o8yA1 LEU 454 HA 0.04 0.04 0.42 -0.75 4.35 4.10 2o8yA1 LEU 454 HB2 0.05 0.10 0.13 -0.04 1.64 1.88 2o8yA1 LEU 454 HB3 0.03 -0.05 -0.04 -0.04 1.64 1.55 2o8yA1 LEU 454 HG 0.08 0.01 0.01 -0.04 1.64 1.70 2o8yA1 LEU 454 HD13 0.19 -0.03 -0.17 -0.04 0.93 0.88 2o8yA1 LEU 454 HD23 0.01 -0.01 -0.05 -0.04 0.89 0.80 2o8yA1 GLN 455 H 0.03 0.38 -0.22 -0.55 8.47 8.11 2o8yA1 GLN 455 HA 0.02 0.01 0.48 -0.75 4.36 4.11 2o8yA1 GLN 455 HB2 0.02 0.23 0.21 -0.04 2.15 2.57 2o8yA1 GLN 455 HB3 0.02 -0.03 0.06 -0.04 2.02 2.04 2o8yA1 GLN 455 HG2 0.02 -0.08 -0.01 -0.04 2.40 2.28 2o8yA1 GLN 455 HG3 0.02 -0.03 0.03 -0.04 2.39 2.36 2o8yA1 GLN 455 HE21 0.01 -0.03 -0.02 -0.04 6.97 6.88 2o8yA1 GLN 455 HE22 0.01 -0.03 -0.01 -0.04 7.69 7.62 2o8yA1 GLU 456 H 0.03 0.67 -0.04 -0.55 8.60 8.71 2o8yA1 GLU 456 HA 0.03 -0.04 0.29 -0.75 4.29 3.81 2o8yA1 GLU 456 HB2 0.03 0.12 0.14 -0.04 2.09 2.34 2o8yA1 GLU 456 HB3 0.03 -0.09 0.11 -0.04 1.99 1.99 2o8yA1 GLU 456 HG2 0.03 -0.08 -0.01 -0.04 2.34 2.24 2o8yA1 GLU 456 HG3 0.03 0.33 0.01 -0.04 2.34 2.67 2o8yA1 THR 458 HA 0.08 -0.11 0.31 -0.75 4.39 3.91 2o8yA1 THR 458 HB 0.05 -0.08 0.06 -0.04 4.32 4.30 2o8yA1 THR 458 HG23 -0.00 0.00 0.08 -0.04 1.22 1.26 2o8yA1 ALA 459 H 0.04 0.45 -0.72 -0.55 8.40 7.62 2o8yA1 ALA 459 HA 0.03 -0.00 0.19 -0.75 4.34 3.81 2o8yA1 ALA 459 HB3 0.03 0.02 0.01 -0.04 1.41 1.43