============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. HIS 7 0.900 12.723 36.168 13.706 -99.200 -91.000 PHE 18 1.000 48.509 30.442 20.885 -99.200 -91.000 HIS 24 0.900 47.278 33.452 13.231 -99.200 -91.000 HIS 25 0.900 50.335 41.416 15.123 -99.200 -91.000 PHE 29 1.000 45.637 41.830 14.373 -99.200 -91.000 PHE 41 1.000 30.452 29.849 1.798 -99.200 -91.000 PHE 47 1.000 18.182 35.094 5.295 -99.200 -91.000 PHE 52 1.000 23.976 32.876 -0.293 -99.200 -91.000 PHE 62 1.000 41.951 44.947 7.843 -99.200 -91.000 HIS 70 0.900 45.982 41.445 19.910 -99.200 -91.000 PHE 74 1.000 38.084 37.396 12.050 -99.200 -91.000 HIS 102 0.900 45.052 46.313 22.412 -99.200 -91.000 PHE 109 1.000 33.122 40.600 3.372 -99.200 -91.000 HIS 110 0.900 26.891 44.704 -1.001 -99.200 -91.000 TYR 122 0.840 17.207 30.319 -3.628 -99.200 -91.000 PHE 142 1.000 39.160 25.367 6.304 -99.200 -91.000 PHE 152 1.000 41.912 12.411 8.971 -99.200 -91.000 TYR 159 0.840 35.878 24.829 16.118 -99.200 -91.000 PHE 164 1.000 44.027 29.900 24.362 -99.200 -91.000 TYR 170 0.840 35.983 32.530 35.116 -99.200 -91.000 PHE 185 1.000 34.838 12.435 18.263 -99.200 -91.000 HIS 200 0.900 29.384 25.818 30.529 -99.200 -91.000 TRP 215 1.040 24.914 20.911 18.664 -99.200 -91.000 TRP6 215 1.020 25.444 22.397 20.416 -99.200 -91.000 HIS 225 0.900 22.282 14.809 12.829 -99.200 -91.000 HIS 231 0.900 32.745 17.703 30.727 -99.200 -91.000 PHE 232 1.000 38.513 19.701 25.605 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2gvhC1 ILE 7 HA -0.02 -0.04 0.19 -0.75 4.18 3.55 2gvhC1 GLU 8 H -0.02 0.22 0.03 -0.55 8.60 8.28 2gvhC1 GLU 8 HA -0.04 0.16 0.89 -0.75 4.29 4.55 2gvhC1 GLU 8 HB2 -0.02 -0.10 -0.11 -0.04 2.09 1.82 2gvhC1 GLU 8 HB3 -0.02 -0.01 0.06 -0.04 1.99 1.98 2gvhC1 GLU 8 HG2 -0.02 -0.08 -0.04 -0.04 2.34 2.16 2gvhC1 GLU 8 HG3 -0.03 0.14 -0.05 -0.04 2.34 2.36 2gvhC1 LYS 9 H -0.06 0.15 0.14 -0.55 8.42 8.09 2gvhC1 LYS 9 HA -0.06 0.03 0.39 -0.75 4.32 3.93 2gvhC1 LYS 9 HB2 -0.10 -0.06 0.08 -0.04 1.87 1.75 2gvhC1 LYS 9 HB3 -0.10 0.15 0.02 -0.04 1.79 1.82 2gvhC1 LYS 9 HG2 -0.10 -0.01 0.07 -0.04 1.46 1.38 2gvhC1 LYS 9 HG3 -0.11 -0.07 0.10 -0.04 1.46 1.33 2gvhC1 LYS 9 HD2 -0.23 0.12 -0.04 -0.04 1.69 1.50 2gvhC1 LYS 9 HD3 -0.17 0.01 -0.00 -0.04 1.68 1.48 2gvhC1 PRO 10 HA -0.02 0.06 0.72 -0.51 4.44 4.68 2gvhC1 PRO 10 HB2 -0.01 0.10 0.06 -0.04 2.28 2.39 2gvhC1 PRO 10 HB3 -0.02 -0.04 0.16 -0.04 2.02 2.07 2gvhC1 PRO 10 HG2 -0.04 0.09 0.09 -0.04 2.03 2.13 2gvhC1 PRO 10 HG3 -0.03 -0.03 0.11 -0.04 2.03 2.04 2gvhC1 PRO 10 HD2 -0.06 0.10 0.24 -0.04 3.68 3.92 2gvhC1 PRO 10 HD3 -0.04 0.08 0.21 -0.04 3.65 3.87 2gvhC1 ALA 11 H -0.01 -0.00 0.17 -0.55 8.40 8.01 2gvhC1 ALA 11 HA -0.01 0.08 0.47 -0.75 4.34 4.13 2gvhC1 ALA 11 HB3 -0.00 -0.03 0.00 -0.04 1.41 1.34 2gvhC1 GLN 12 H 0.06 0.77 0.33 -0.55 8.47 9.09 2gvhC1 GLN 12 HA 0.10 0.08 0.94 -0.75 4.36 4.73 2gvhC1 GLN 12 HB2 -0.21 0.04 0.03 -0.04 2.15 1.97 2gvhC1 GLN 12 HB3 0.05 0.08 -0.04 -0.04 2.02 2.07 2gvhC1 GLN 12 HG2 -0.04 -0.09 0.04 -0.04 2.40 2.27 2gvhC1 GLN 12 HG3 -0.12 0.12 -0.27 -0.04 2.39 2.08 2gvhC1 GLN 12 HE21 -0.18 0.20 0.12 -0.04 6.97 7.07 2gvhC1 GLN 12 HE22 -0.06 -0.09 0.04 -0.04 7.69 7.55 2gvhC1 HIS 13 H 0.32 0.12 0.11 -0.55 8.41 8.41 2gvhC1 HIS 13 HA 0.06 0.13 0.46 -0.75 4.63 4.52 2gvhC1 HIS 13 HB2 0.02 -0.00 0.04 -0.04 3.26 3.28 2gvhC1 HIS 13 HB3 0.02 -0.02 -0.12 -0.04 3.20 3.04 2gvhC1 HIS 13 HD2 0.01 -0.02 -0.01 -0.04 6.97 6.90 2gvhC1 HIS 13 HE1 0.00 -0.02 -0.07 -0.04 7.75 7.62 2gvhC1 GLY 14 H 0.06 0.20 0.07 -0.55 8.43 8.22 2gvhC1 GLY 14 HA2 0.06 0.10 0.56 -0.51 4.01 4.23 2gvhC1 GLY 14 HA3 -0.02 0.07 0.41 -0.51 4.01 3.96 2gvhC1 ALA 15 H 0.08 0.22 0.20 -0.55 8.40 8.35 2gvhC1 ALA 15 HA 0.02 0.04 0.65 -0.75 4.34 4.30 2gvhC1 ALA 15 HB3 0.02 0.02 0.03 -0.04 1.41 1.44 2gvhC1 THR 16 H 0.00 0.10 0.18 -0.55 8.28 8.01 2gvhC1 THR 16 HA -0.01 0.39 1.10 -0.75 4.39 5.11 2gvhC1 THR 16 HB 0.00 -0.03 0.12 -0.04 4.32 4.37 2gvhC1 THR 16 HG23 0.00 0.01 -0.14 -0.04 1.22 1.05 2gvhC1 THR 17 H -0.01 0.58 0.34 -0.55 8.28 8.64 2gvhC1 THR 17 HA 0.01 0.14 0.89 -0.75 4.39 4.68 2gvhC1 THR 17 HB -0.01 -0.03 0.14 -0.04 4.32 4.38 2gvhC1 THR 17 HG23 0.00 0.01 -0.11 -0.04 1.22 1.08 2gvhC1 ARG 18 H 0.04 0.28 0.31 -0.55 8.46 8.54 2gvhC1 ARG 18 HA 0.07 0.26 1.07 -0.75 4.34 4.98 2gvhC1 ARG 18 HB2 0.07 0.26 0.15 -0.04 1.90 2.33 2gvhC1 ARG 18 HB3 0.07 -0.07 -0.02 -0.04 1.80 1.73 2gvhC1 ARG 18 HG2 0.03 -0.04 -0.21 -0.04 1.67 1.42 2gvhC1 ARG 18 HG3 0.03 -0.10 -0.33 -0.04 1.67 1.23 2gvhC1 ARG 18 HD2 0.03 0.01 -0.01 -0.04 3.22 3.21 2gvhC1 ARG 18 HD3 0.04 0.01 0.04 -0.04 3.22 3.27 2gvhC1 LEU 19 H 0.15 0.57 0.37 -0.55 8.37 8.91 2gvhC1 LEU 19 HA 0.13 0.35 0.88 -0.75 4.35 4.96 2gvhC1 LEU 19 HB2 0.05 -0.01 -0.03 -0.04 1.64 1.61 2gvhC1 LEU 19 HB3 0.08 -0.03 0.22 -0.04 1.64 1.86 2gvhC1 LEU 19 HG 0.07 0.16 0.16 -0.04 1.64 1.99 2gvhC1 LEU 19 HD13 -0.04 -0.04 -0.03 -0.04 0.93 0.78 2gvhC1 LEU 19 HD23 -0.10 -0.02 -0.27 -0.04 0.89 0.46 2gvhC1 ILE 20 H 0.16 0.27 0.16 -0.55 8.25 8.28 2gvhC1 ILE 20 HA 0.22 0.35 1.19 -0.75 4.18 5.19 2gvhC1 ILE 20 HB 0.09 -0.03 0.02 -0.04 1.89 1.93 2gvhC1 ILE 20 HG12 0.09 0.06 -0.14 -0.04 1.49 1.46 2gvhC1 ILE 20 HG13 0.11 -0.05 -0.53 -0.04 1.21 0.70 2gvhC1 ILE 20 HG23 0.08 -0.01 -0.27 -0.04 0.93 0.68 2gvhC1 ILE 20 HD13 0.06 -0.01 -0.13 -0.04 0.88 0.76 2gvhC1 ASP 21 H 0.21 0.72 0.36 -0.55 8.40 9.14 2gvhC1 ASP 21 HA 0.11 0.14 0.98 -0.75 4.63 5.10 2gvhC1 ASP 21 HB2 0.13 0.03 -0.12 -0.04 2.71 2.70 2gvhC1 ASP 21 HB3 0.18 -0.00 -0.01 -0.04 2.70 2.82 2gvhC1 ILE 22 H 0.06 0.15 0.15 -0.55 8.25 8.06 2gvhC1 ILE 22 HA -0.04 0.28 1.08 -0.75 4.18 4.74 2gvhC1 ILE 22 HB -0.25 -0.05 0.10 -0.04 1.89 1.64 2gvhC1 ILE 22 HG12 -0.06 0.04 -0.09 -0.04 1.49 1.34 2gvhC1 ILE 22 HG13 -0.04 -0.06 -0.24 -0.04 1.21 0.83 2gvhC1 ILE 22 HG23 -0.78 -0.01 -0.24 -0.04 0.93 -0.15 2gvhC1 ILE 22 HD13 -0.42 0.01 -0.04 -0.04 0.88 0.39 2gvhC1 VAL 23 H -0.02 0.85 0.32 -0.55 8.24 8.84 2gvhC1 VAL 23 HA 0.29 0.09 0.91 -0.75 4.13 4.67 2gvhC1 VAL 23 HB 0.16 -0.07 0.22 -0.04 2.12 2.40 2gvhC1 VAL 23 HG13 0.20 0.01 -0.11 -0.04 0.97 1.03 2gvhC1 VAL 23 HG23 -0.39 0.02 -0.16 -0.04 0.95 0.38 2gvhC1 PHE 24 H 0.39 0.10 0.05 -0.55 8.34 8.33 2gvhC1 PHE 24 HA 0.08 0.12 0.40 -0.75 4.62 4.46 2gvhC1 PHE 24 HB2 0.06 -0.08 0.06 -0.04 3.15 3.14 2gvhC1 PHE 24 HB3 0.05 0.13 -0.02 -0.04 3.06 3.18 2gvhC1 PHE 24 HD2 0.03 -0.00 -0.01 -0.04 7.28 7.26 2gvhC1 PHE 24 HE2 -0.10 0.05 -0.03 -0.04 7.38 7.26 2gvhC1 PHE 24 HZ -0.51 0.03 -0.04 -0.04 7.32 6.76 2gvhC1 PRO 25 HA 0.10 0.08 0.25 -0.51 4.44 4.36 2gvhC1 PRO 25 HB2 0.10 0.05 0.06 -0.04 2.28 2.46 2gvhC1 PRO 25 HB3 0.06 0.01 0.09 -0.04 2.02 2.15 2gvhC1 PRO 25 HG2 0.12 0.09 0.09 -0.04 2.03 2.29 2gvhC1 PRO 25 HG3 0.06 -0.05 0.15 -0.04 2.03 2.15 2gvhC1 PRO 25 HD2 0.35 0.13 0.17 -0.04 3.68 4.30 2gvhC1 PRO 25 HD3 0.13 0.14 0.21 -0.04 3.65 4.08 2gvhC1 GLY 26 H 0.08 0.32 0.15 -0.55 8.43 8.43 2gvhC1 GLY 26 HA2 0.04 0.01 0.35 -0.51 4.01 3.90 2gvhC1 GLY 26 HA3 0.06 0.10 0.44 -0.51 4.01 4.11 2gvhC1 ASP 27 H 0.16 0.60 -0.48 -0.55 8.40 8.13 2gvhC1 ASP 27 HA 0.10 0.11 0.85 -0.75 4.63 4.94 2gvhC1 ASP 27 HB2 0.17 0.08 0.05 -0.04 2.71 2.97 2gvhC1 ASP 27 HB3 0.25 0.08 0.20 -0.04 2.70 3.19 2gvhC1 THR 28 H 0.07 0.35 0.12 -0.55 8.28 8.28 2gvhC1 THR 28 HA 0.10 0.13 0.13 -0.75 4.39 3.99 2gvhC1 THR 28 HB 0.04 0.02 0.04 -0.04 4.32 4.38 2gvhC1 THR 28 HG23 0.01 0.05 0.01 -0.04 1.22 1.24 2gvhC1 ASN 29 H 0.10 0.07 -0.19 -0.55 8.53 7.97 2gvhC1 ASN 29 HA 0.08 0.14 0.48 -0.75 4.76 4.71 2gvhC1 ASN 29 HB2 0.05 -0.00 0.08 -0.04 2.88 2.98 2gvhC1 ASN 29 HB3 0.07 0.01 0.01 -0.04 2.79 2.84 2gvhC1 ASN 29 HD21 0.03 0.02 -0.05 -0.04 7.03 6.99 2gvhC1 ASN 29 HD22 0.06 -0.01 -0.25 -0.04 7.74 7.51 2gvhC1 HIS 30 H 0.21 0.09 -0.10 -0.55 8.41 8.07 2gvhC1 HIS 30 HA 0.04 0.06 0.43 -0.75 4.63 4.40 2gvhC1 HIS 30 HB2 0.08 -0.04 0.13 -0.04 3.26 3.39 2gvhC1 HIS 30 HB3 0.12 0.08 0.12 -0.04 3.20 3.47 2gvhC1 HIS 30 HD2 -0.00 -0.08 0.02 -0.04 6.97 6.87 2gvhC1 HIS 30 HE1 0.02 0.17 -0.07 -0.04 7.75 7.83 2gvhC1 HIS 31 H 0.28 0.54 -0.10 -0.55 8.41 8.59 2gvhC1 HIS 31 HA 0.15 0.03 0.31 -0.75 4.63 4.37 2gvhC1 HIS 31 HB2 0.17 0.13 0.02 -0.04 3.26 3.54 2gvhC1 HIS 31 HB3 0.14 0.01 0.02 -0.04 3.20 3.32 2gvhC1 HIS 31 HD2 0.30 0.16 -0.10 -0.04 6.97 7.28 2gvhC1 HIS 31 HE1 -0.10 0.09 -0.20 -0.04 7.75 7.50 2gvhC1 GLY 32 H 0.21 0.39 -0.41 -0.55 8.43 8.07 2gvhC1 GLY 32 HA2 0.20 0.06 0.21 -0.51 4.01 3.97 2gvhC1 GLY 32 HA3 0.13 0.02 0.27 -0.51 4.01 3.92 2gvhC1 THR 33 H 0.08 0.38 -0.32 -0.55 8.28 7.87 2gvhC1 THR 33 HA 0.01 0.04 0.70 -0.75 4.39 4.38 2gvhC1 THR 33 HB 0.02 -0.15 -0.00 -0.04 4.32 4.15 2gvhC1 THR 33 HG23 0.04 0.01 -0.03 -0.04 1.22 1.20 2gvhC1 LEU 34 H -0.09 0.88 0.00 -0.55 8.37 8.61 2gvhC1 LEU 34 HA -0.12 -0.10 0.29 -0.75 4.35 3.67 2gvhC1 LEU 34 HB2 -0.49 -0.01 -0.01 -0.04 1.64 1.09 2gvhC1 LEU 34 HB3 -0.68 0.04 -0.02 -0.04 1.64 0.94 2gvhC1 LEU 34 HG -0.15 -0.04 -0.09 -0.04 1.64 1.31 2gvhC1 LEU 34 HD13 -0.21 -0.00 -0.16 -0.04 0.93 0.51 2gvhC1 LEU 34 HD23 -0.81 0.02 -0.24 -0.04 0.89 -0.18 2gvhC1 PHE 35 H -0.18 0.59 -0.11 -0.55 8.34 8.08 2gvhC1 PHE 35 HA 0.04 0.08 0.61 -0.75 4.62 4.61 2gvhC1 PHE 35 HB2 -0.16 0.11 0.14 -0.04 3.15 3.20 2gvhC1 PHE 35 HB3 -0.03 -0.05 0.08 -0.04 3.06 3.02 2gvhC1 PHE 35 HD2 -0.50 0.07 0.02 -0.04 7.28 6.83 2gvhC1 PHE 35 HE2 -0.32 -0.02 -0.08 -0.04 7.38 6.92 2gvhC1 PHE 35 HZ -0.45 -0.03 -0.13 -0.04 7.32 6.67 2gvhC1 GLY 36 H -0.16 0.58 -0.34 -0.55 8.43 7.96 2gvhC1 GLY 36 HA2 -0.32 0.01 0.34 -0.51 4.01 3.53 2gvhC1 GLY 36 HA3 -0.11 0.12 0.16 -0.51 4.01 3.67 2gvhC1 GLY 37 H -0.08 0.15 0.17 -0.55 8.43 8.13 2gvhC1 GLY 37 HA2 -0.07 0.06 0.17 -0.51 4.01 3.66 2gvhC1 GLY 37 HA3 -0.04 0.02 0.35 -0.51 4.01 3.83 2gvhC1 THR 38 H -0.03 0.28 -0.01 -0.55 8.28 7.97 2gvhC1 THR 38 HA -0.01 -0.02 0.33 -0.75 4.39 3.94 2gvhC1 THR 38 HB -0.01 0.05 -0.48 -0.04 4.32 3.84 2gvhC1 THR 38 HG23 0.01 0.00 -0.12 -0.04 1.22 1.07 2gvhC1 GLY 39 H -0.02 0.34 -0.19 -0.55 8.43 8.01 2gvhC1 GLY 39 HA2 0.16 -0.07 0.32 -0.51 4.01 3.92 2gvhC1 GLY 39 HA3 0.20 0.23 0.38 -0.51 4.01 4.31 2gvhC1 LEU 40 H 0.09 0.29 -0.24 -0.55 8.37 7.96 2gvhC1 LEU 40 HA 0.31 0.03 0.51 -0.75 4.35 4.45 2gvhC1 LEU 40 HB2 0.07 0.15 0.23 -0.04 1.64 2.04 2gvhC1 LEU 40 HB3 0.15 -0.05 -0.02 -0.04 1.64 1.68 2gvhC1 LEU 40 HG 0.22 0.03 -0.03 -0.04 1.64 1.81 2gvhC1 LEU 40 HD13 0.06 -0.04 -0.05 -0.04 0.93 0.87 2gvhC1 LEU 40 HD23 0.34 0.00 -0.03 -0.04 0.89 1.16 2gvhC1 ALA 41 H 0.04 0.44 0.02 -0.55 8.40 8.35 2gvhC1 ALA 41 HA 0.02 -0.04 0.23 -0.75 4.34 3.80 2gvhC1 ALA 41 HB3 -0.02 -0.02 0.07 -0.04 1.41 1.40 2gvhC1 LEU 42 H -0.10 0.53 -0.39 -0.55 8.37 7.86 2gvhC1 LEU 42 HA -0.23 -0.06 0.31 -0.75 4.35 3.61 2gvhC1 LEU 42 HB2 -0.77 0.19 0.05 -0.04 1.64 1.07 2gvhC1 LEU 42 HB3 -1.23 -0.02 0.04 -0.04 1.64 0.38 2gvhC1 LEU 42 HG -0.19 0.09 -0.10 -0.04 1.64 1.40 2gvhC1 LEU 42 HD13 -0.25 -0.01 -0.11 -0.04 0.93 0.51 2gvhC1 LEU 42 HD23 -0.14 -0.03 -0.10 -0.04 0.89 0.58 2gvhC1 ASP 44 HA -0.91 -0.13 0.30 -0.75 4.63 3.14 2gvhC1 ASP 44 HB2 0.07 -0.04 0.02 -0.04 2.71 2.71 2gvhC1 ASP 44 HB3 -0.03 0.10 0.02 -0.04 2.70 2.74 2gvhC1 ARG 45 H -0.12 0.72 -0.53 -0.55 8.46 7.97 2gvhC1 ARG 45 HA -0.03 -0.06 0.29 -0.75 4.34 3.78 2gvhC1 ARG 45 HB2 -0.06 0.13 0.11 -0.04 1.90 2.04 2gvhC1 ARG 45 HB3 -0.08 0.07 0.09 -0.04 1.80 1.84 2gvhC1 ARG 45 HG2 0.01 -0.06 -0.03 -0.04 1.67 1.55 2gvhC1 ARG 45 HG3 -0.03 -0.04 0.01 -0.04 1.67 1.57 2gvhC1 ARG 45 HD2 0.02 0.04 -0.02 -0.04 3.22 3.22 2gvhC1 ARG 45 HD3 0.01 -0.09 -0.01 -0.04 3.22 3.09 2gvhC1 VAL 46 H -0.12 0.72 0.09 -0.55 8.24 8.37 2gvhC1 VAL 46 HA -0.02 0.01 0.34 -0.75 4.13 3.70 2gvhC1 VAL 46 HB -0.02 0.00 0.04 -0.04 2.12 2.10 2gvhC1 VAL 46 HG13 0.01 0.05 -0.25 -0.04 0.97 0.74 2gvhC1 VAL 46 HG23 0.02 0.05 -0.15 -0.04 0.95 0.82 2gvhC1 ALA 47 H -0.22 0.20 -0.29 -0.55 8.40 7.54 2gvhC1 ALA 47 HA -0.13 0.01 0.41 -0.75 4.34 3.87 2gvhC1 ALA 47 HB3 -0.38 0.04 0.00 -0.04 1.41 1.03 2gvhC1 PHE 48 H 0.03 0.66 -0.24 -0.55 8.34 8.23 2gvhC1 PHE 48 HA -0.11 -0.00 0.18 -0.75 4.62 3.93 2gvhC1 PHE 48 HB2 -0.05 -0.04 -0.04 -0.04 3.15 2.98 2gvhC1 PHE 48 HB3 -0.07 0.17 0.15 -0.04 3.06 3.27 2gvhC1 PHE 48 HD2 0.01 0.04 -0.15 -0.04 7.28 7.15 2gvhC1 PHE 48 HE2 0.04 0.03 -0.01 -0.04 7.38 7.39 2gvhC1 PHE 48 HZ 0.03 -0.05 -0.03 -0.04 7.32 7.23 2gvhC1 ILE 49 H 0.09 0.63 -0.05 -0.55 8.25 8.37 2gvhC1 ILE 49 HA -0.18 -0.03 0.43 -0.75 4.18 3.64 2gvhC1 ILE 49 HB -0.02 0.14 0.08 -0.04 1.89 2.05 2gvhC1 ILE 49 HG12 0.06 -0.08 -0.05 -0.04 1.49 1.37 2gvhC1 ILE 49 HG13 0.17 0.11 0.03 -0.04 1.21 1.48 2gvhC1 ILE 49 HG23 -0.03 -0.01 -0.17 -0.04 0.93 0.67 2gvhC1 ILE 49 HD13 -0.00 -0.03 -0.17 -0.04 0.88 0.64 2gvhC1 ALA 50 H -0.10 0.59 -0.26 -0.55 8.40 8.09 2gvhC1 ALA 50 HA -0.07 -0.00 0.23 -0.75 4.34 3.75 2gvhC1 ALA 50 HB3 -0.09 0.03 0.01 -0.04 1.41 1.31 2gvhC1 ALA 51 H -0.27 0.66 -0.16 -0.55 8.40 8.09 2gvhC1 ALA 51 HA -0.37 -0.03 0.34 -0.75 4.34 3.53 2gvhC1 ALA 51 HB3 -1.08 0.02 0.00 -0.04 1.41 0.31 2gvhC1 THR 52 H -0.34 0.44 -0.37 -0.55 8.28 7.46 2gvhC1 THR 52 HA 0.21 0.04 0.17 -0.75 4.39 4.06 2gvhC1 THR 52 HB -0.27 0.02 0.08 -0.04 4.32 4.11 2gvhC1 THR 52 HG23 -0.05 0.06 -0.13 -0.04 1.22 1.06 2gvhC1 ARG 53 H -0.08 0.60 -0.08 -0.55 8.46 8.34 2gvhC1 ARG 53 HA -0.01 0.05 0.48 -0.75 4.34 4.10 2gvhC1 ARG 53 HB2 -0.02 0.17 0.12 -0.04 1.90 2.13 2gvhC1 ARG 53 HB3 0.01 -0.06 -0.08 -0.04 1.80 1.63 2gvhC1 ARG 53 HG2 -0.03 -0.05 -0.01 -0.04 1.67 1.54 2gvhC1 ARG 53 HG3 -0.05 0.02 -0.02 -0.04 1.67 1.59 2gvhC1 ARG 53 HD2 -0.03 -0.02 -0.13 -0.04 3.22 2.99 2gvhC1 ARG 53 HD3 -0.02 0.00 -0.08 -0.04 3.22 3.08 2gvhC1 PHE 54 H 0.11 0.37 -0.39 -0.55 8.34 7.88 2gvhC1 PHE 54 HA -0.00 0.03 0.45 -0.75 4.62 4.34 2gvhC1 PHE 54 HB2 -0.06 -0.01 0.07 -0.04 3.15 3.12 2gvhC1 PHE 54 HB3 -0.06 0.07 0.16 -0.04 3.06 3.19 2gvhC1 PHE 54 HD2 0.03 0.00 -0.11 -0.04 7.28 7.16 2gvhC1 PHE 54 HE2 0.02 0.05 -0.20 -0.04 7.38 7.21 2gvhC1 PHE 54 HZ 0.00 -0.02 -0.49 -0.04 7.32 6.77 2gvhC1 GLY 55 H 0.30 0.52 0.05 -0.55 8.43 8.76 2gvhC1 GLY 55 HA2 0.03 0.12 0.49 -0.51 4.01 4.14 2gvhC1 GLY 55 HA3 0.43 -0.07 0.23 -0.51 4.01 4.09 2gvhC1 ARG 56 H 0.10 0.31 -0.34 -0.55 8.46 7.99 2gvhC1 ARG 56 HA 0.03 0.21 0.42 -0.75 4.34 4.25 2gvhC1 ARG 56 HB2 0.02 -0.04 -0.14 -0.04 1.90 1.70 2gvhC1 ARG 56 HB3 0.01 0.25 0.25 -0.04 1.80 2.28 2gvhC1 ARG 56 HG2 -0.02 0.11 -0.24 -0.04 1.67 1.48 2gvhC1 ARG 56 HG3 -0.03 -0.12 -0.09 -0.04 1.67 1.40 2gvhC1 ARG 56 HD2 -0.01 -0.18 -0.51 -0.04 3.22 2.47 2gvhC1 ARG 56 HD3 -0.00 0.26 0.06 -0.04 3.22 3.50 2gvhC1 THR 57 H 0.05 0.30 -0.07 -0.55 8.28 8.02 2gvhC1 THR 57 HA -0.12 -0.01 0.58 -0.75 4.39 4.09 2gvhC1 THR 57 HB -0.20 0.24 -0.22 -0.04 4.32 4.09 2gvhC1 THR 57 HG23 -0.57 -0.00 -0.31 -0.04 1.22 0.29 2gvhC1 PRO 58 HA 0.00 0.02 0.52 -0.51 4.44 4.48 2gvhC1 PRO 58 HB2 -0.10 0.10 0.05 -0.04 2.28 2.29 2gvhC1 PRO 58 HB3 0.01 -0.03 0.09 -0.04 2.02 2.04 2gvhC1 PRO 58 HG2 -0.08 0.05 0.12 -0.04 2.03 2.08 2gvhC1 PRO 58 HG3 -0.04 -0.05 0.08 -0.04 2.03 1.98 2gvhC1 PRO 58 HD2 -0.24 0.12 0.14 -0.04 3.68 3.67 2gvhC1 PRO 58 HD3 -0.13 0.06 0.21 -0.04 3.65 3.75 2gvhC1 PHE 59 H 0.25 0.11 0.19 -0.55 8.34 8.33 2gvhC1 PHE 59 HA 0.03 0.26 0.95 -0.75 4.62 5.11 2gvhC1 PHE 59 HB2 -0.10 -0.08 -0.00 -0.04 3.15 2.93 2gvhC1 PHE 59 HB3 0.08 0.10 -0.13 -0.04 3.06 3.07 2gvhC1 PHE 59 HD2 -0.06 0.12 -0.30 -0.04 7.28 7.00 2gvhC1 PHE 59 HE2 0.04 -0.04 -0.17 -0.04 7.38 7.17 2gvhC1 PHE 59 HZ 0.14 -0.02 -0.10 -0.04 7.32 7.30 2gvhC1 VAL 60 H 0.23 0.80 0.27 -0.55 8.24 8.99 2gvhC1 VAL 60 HA 0.20 0.11 0.75 -0.75 4.13 4.43 2gvhC1 VAL 60 HB 0.10 -0.07 0.05 -0.04 2.12 2.16 2gvhC1 VAL 60 HG13 0.07 -0.02 -0.17 -0.04 0.97 0.81 2gvhC1 VAL 60 HG23 0.09 0.02 -0.16 -0.04 0.95 0.86 2gvhC1 THR 61 H 0.13 0.11 0.06 -0.55 8.28 8.03 2gvhC1 THR 61 HA 0.19 0.25 0.81 -0.75 4.39 4.88 2gvhC1 THR 61 HB 0.13 -0.04 0.11 -0.04 4.32 4.48 2gvhC1 THR 61 HG23 0.26 -0.01 -0.15 -0.04 1.22 1.28 2gvhC1 ALA 62 H 0.16 0.70 0.43 -0.55 8.40 9.14 2gvhC1 ALA 62 HA 0.08 0.04 0.55 -0.75 4.34 4.25 2gvhC1 ALA 62 HB3 0.09 -0.00 0.09 -0.04 1.41 1.54 2gvhC1 SER 63 H 0.15 0.37 0.21 -0.55 8.46 8.65 2gvhC1 SER 63 HA 0.06 0.13 0.48 -0.75 4.49 4.41 2gvhC1 SER 63 HB2 0.02 -0.02 0.10 -0.04 3.95 4.01 2gvhC1 SER 63 HB3 0.02 0.10 -0.45 -0.04 3.93 3.56 2gvhC1 CYS 64 H -0.00 0.25 0.16 -0.55 8.50 8.36 2gvhC1 CYS 64 HA -0.38 0.20 0.95 -0.75 4.58 4.59 2gvhC1 CYS 64 HB2 -0.06 -0.02 -0.10 -0.04 2.97 2.74 2gvhC1 CYS 64 HB3 -0.06 -0.05 0.13 -0.04 2.97 2.95 2gvhC1 GLU 65 H -0.24 0.64 0.35 -0.55 8.60 8.81 2gvhC1 GLU 65 HA -0.02 0.04 0.65 -0.75 4.29 4.20 2gvhC1 GLU 65 HB2 -0.07 0.05 0.24 -0.04 2.09 2.27 2gvhC1 GLU 65 HB3 -0.03 0.06 0.14 -0.04 1.99 2.12 2gvhC1 GLU 65 HG2 0.03 -0.04 0.07 -0.04 2.34 2.35 2gvhC1 GLU 65 HG3 0.13 -0.02 -0.06 -0.04 2.34 2.35 2gvhC1 ARG 66 H -0.02 0.03 0.18 -0.55 8.46 8.10 2gvhC1 ARG 66 HA -0.00 0.04 0.49 -0.75 4.34 4.12 2gvhC1 ARG 66 HB2 0.01 0.02 0.10 -0.04 1.90 1.98 2gvhC1 ARG 66 HB3 -0.00 -0.03 0.17 -0.04 1.80 1.90 2gvhC1 ARG 66 HG2 -0.01 -0.04 0.03 -0.04 1.67 1.61 2gvhC1 ARG 66 HG3 -0.01 0.04 -0.34 -0.04 1.67 1.32 2gvhC1 ARG 66 HD2 -0.00 -0.02 0.01 -0.04 3.22 3.17 2gvhC1 ARG 66 HD3 -0.00 -0.01 -0.04 -0.04 3.22 3.13 2gvhC1 ILE 67 H 0.04 0.18 0.24 -0.55 8.25 8.15 2gvhC1 ILE 67 HA -0.03 0.21 0.92 -0.75 4.18 4.53 2gvhC1 ILE 67 HB 0.14 -0.08 0.06 -0.04 1.89 1.97 2gvhC1 ILE 67 HG12 -0.04 0.05 0.03 -0.04 1.49 1.49 2gvhC1 ILE 67 HG13 -0.05 0.20 -0.47 -0.04 1.21 0.85 2gvhC1 ILE 67 HG23 -0.19 0.03 -0.19 -0.04 0.93 0.54 2gvhC1 ILE 67 HD13 0.03 -0.02 -0.05 -0.04 0.88 0.80 2gvhC1 ASP 68 H -0.06 0.23 0.19 -0.55 8.40 8.22 2gvhC1 ASP 68 HA 0.08 0.13 0.91 -0.75 4.63 5.00 2gvhC1 ASP 68 HB2 -0.03 0.00 0.11 -0.04 2.71 2.75 2gvhC1 ASP 68 HB3 0.01 0.04 -0.05 -0.04 2.70 2.65 2gvhC1 PHE 69 H 0.21 0.21 0.16 -0.55 8.34 8.36 2gvhC1 PHE 69 HA 0.03 0.17 0.86 -0.75 4.62 4.93 2gvhC1 PHE 69 HB2 0.03 -0.04 0.01 -0.04 3.15 3.12 2gvhC1 PHE 69 HB3 0.05 0.03 -0.22 -0.04 3.06 2.88 2gvhC1 PHE 69 HD2 0.07 0.00 -0.20 -0.04 7.28 7.12 2gvhC1 PHE 69 HE2 0.07 0.03 -0.10 -0.04 7.38 7.34 2gvhC1 PHE 69 HZ 0.09 0.05 -0.22 -0.04 7.32 7.21 2gvhC1 ARG 70 H 0.10 0.24 0.13 -0.55 8.46 8.39 2gvhC1 ARG 70 HA 0.07 0.14 0.80 -0.75 4.34 4.59 2gvhC1 GLN 71 H 0.02 0.12 0.08 -0.55 8.47 8.15 2gvhC1 GLN 71 HA -0.17 0.19 0.78 -0.75 4.36 4.40 2gvhC1 GLN 71 HB2 0.02 -0.10 0.13 -0.04 2.15 2.15 2gvhC1 GLN 71 HB3 -0.00 0.12 -0.05 -0.04 2.02 2.05 2gvhC1 GLN 71 HG2 0.08 0.02 -0.01 -0.04 2.40 2.45 2gvhC1 GLN 71 HG3 0.07 -0.05 -0.02 -0.04 2.39 2.34 2gvhC1 GLN 71 HE21 0.21 -0.13 -0.05 -0.04 6.97 6.96 2gvhC1 GLN 71 HE22 0.12 0.39 0.10 -0.04 7.69 8.26 2gvhC1 PRO 72 HA -0.10 0.08 0.40 -0.51 4.44 4.31 2gvhC1 PRO 72 HB2 0.03 0.03 0.05 -0.04 2.28 2.35 2gvhC1 PRO 72 HB3 -0.17 0.02 -0.00 -0.04 2.02 1.83 2gvhC1 PRO 72 HG2 -0.84 0.12 -0.13 -0.04 2.03 1.13 2gvhC1 PRO 72 HG3 -1.38 0.00 -0.04 -0.04 2.03 0.57 2gvhC1 PRO 72 HD2 -1.36 0.06 0.16 -0.04 3.68 2.50 2gvhC1 PRO 72 HD3 -0.84 0.24 0.22 -0.04 3.65 3.23 2gvhC1 ALA 73 H 0.11 0.08 0.12 -0.55 8.40 8.16 2gvhC1 ALA 73 HA 0.03 0.08 0.52 -0.75 4.34 4.22 2gvhC1 ALA 73 HB3 0.09 0.00 0.10 -0.04 1.41 1.57 2gvhC1 ARG 74 H -0.03 0.09 0.11 -0.55 8.46 8.08 2gvhC1 ILE 75 H 0.11 0.04 -0.74 -0.55 8.25 7.11 2gvhC1 GLY 76 H -0.09 0.05 0.17 -0.55 8.43 8.02 2gvhC1 GLY 76 HA2 0.10 0.31 0.60 -0.51 4.01 4.51 2gvhC1 GLY 76 HA3 -0.02 -0.06 0.30 -0.51 4.01 3.73 2gvhC1 HIS 77 H 0.10 0.67 0.31 -0.55 8.41 8.95 2gvhC1 HIS 77 HA -0.00 0.24 1.10 -0.75 4.63 5.22 2gvhC1 HIS 77 HB2 0.16 -0.06 -0.04 -0.04 3.26 3.28 2gvhC1 HIS 77 HB3 0.09 0.06 -0.25 -0.04 3.20 3.06 2gvhC1 HIS 77 HD2 -0.10 -0.01 -0.71 -0.04 6.97 6.11 2gvhC1 HIS 77 HE1 0.10 0.21 -0.22 -0.04 7.75 7.79 2gvhC1 ILE 78 H 0.04 0.43 0.13 -0.55 8.25 8.30 2gvhC1 ILE 78 HA 0.04 0.10 0.95 -0.75 4.18 4.51 2gvhC1 ILE 78 HB 0.04 0.04 0.09 -0.04 1.89 2.01 2gvhC1 ILE 78 HG12 0.13 -0.03 -0.04 -0.04 1.49 1.50 2gvhC1 ILE 78 HG13 0.06 -0.08 -0.08 -0.04 1.21 1.06 2gvhC1 ILE 78 HG23 0.06 0.01 -0.22 -0.04 0.93 0.73 2gvhC1 ILE 78 HD13 0.05 0.02 -0.05 -0.04 0.88 0.85 2gvhC1 VAL 79 H 0.05 0.68 0.28 -0.55 8.24 8.70 2gvhC1 VAL 79 HA -0.05 0.33 1.07 -0.75 4.13 4.72 2gvhC1 VAL 79 HB 0.06 -0.06 0.10 -0.04 2.12 2.17 2gvhC1 VAL 79 HG13 -0.46 0.01 -0.27 -0.04 0.97 0.21 2gvhC1 VAL 79 HG23 -0.05 -0.02 -0.25 -0.04 0.95 0.58 2gvhC1 GLU 80 H -0.16 0.77 0.41 -0.55 8.60 9.06 2gvhC1 GLU 80 HA 0.10 0.16 1.09 -0.75 4.29 4.89 2gvhC1 GLU 80 HB2 0.01 -0.07 -0.06 -0.04 2.09 1.92 2gvhC1 GLU 80 HB3 -0.04 0.03 0.15 -0.04 1.99 2.09 2gvhC1 GLU 80 HG2 0.04 0.02 -0.22 -0.04 2.34 2.14 2gvhC1 GLU 80 HG3 0.07 -0.02 -0.09 -0.04 2.34 2.26 2gvhC1 PHE 81 H 0.34 0.76 0.41 -0.55 8.34 9.29 2gvhC1 PHE 81 HA -0.00 0.43 1.12 -0.75 4.62 5.41 2gvhC1 PHE 81 HB2 0.00 -0.06 0.28 -0.04 3.15 3.34 2gvhC1 PHE 81 HB3 -0.01 -0.02 0.01 -0.04 3.06 3.00 2gvhC1 PHE 81 HD2 0.01 0.14 -0.05 -0.04 7.28 7.33 2gvhC1 PHE 81 HE2 -0.01 0.05 -0.08 -0.04 7.38 7.30 2gvhC1 PHE 81 HZ -0.09 -0.09 -0.12 -0.04 7.32 6.98 2gvhC1 THR 82 H 0.05 0.54 0.28 -0.55 8.28 8.59 2gvhC1 THR 82 HA 0.05 0.36 0.97 -0.75 4.39 5.02 2gvhC1 THR 82 HB 0.01 -0.00 -0.02 -0.04 4.32 4.27 2gvhC1 THR 82 HG23 0.02 0.00 -0.11 -0.04 1.22 1.08 2gvhC1 ALA 83 H 0.01 0.56 0.38 -0.55 8.40 8.81 2gvhC1 ALA 83 HA -0.00 0.39 1.07 -0.75 4.34 5.05 2gvhC1 ALA 83 HB3 -0.04 -0.03 -0.17 -0.04 1.41 1.12 2gvhC1 ARG 84 H -0.03 0.53 0.33 -0.55 8.46 8.74 2gvhC1 ARG 84 HA -0.05 0.36 0.77 -0.75 4.34 4.67 2gvhC1 ARG 84 HB2 -0.04 -0.10 0.09 -0.04 1.90 1.81 2gvhC1 ARG 84 HB3 -0.05 0.14 -0.10 -0.04 1.80 1.75 2gvhC1 ARG 84 HG2 -0.02 0.08 -0.10 -0.04 1.67 1.60 2gvhC1 ARG 84 HG3 -0.02 -0.06 -0.23 -0.04 1.67 1.33 2gvhC1 ARG 84 HD2 -0.01 -0.03 -0.08 -0.04 3.22 3.06 2gvhC1 ARG 84 HD3 -0.02 -0.05 -0.06 -0.04 3.22 3.04 2gvhC1 PRO 85 HA -0.17 0.19 1.00 -0.51 4.44 4.96 2gvhC1 PRO 85 HB2 -0.43 -0.01 -0.01 -0.04 2.28 1.79 2gvhC1 PRO 85 HB3 -0.47 0.04 0.05 -0.04 2.02 1.60 2gvhC1 PRO 85 HG2 -0.30 0.05 0.05 -0.04 2.03 1.78 2gvhC1 PRO 85 HG3 -0.24 0.05 -0.07 -0.04 2.03 1.72 2gvhC1 PRO 85 HD2 -0.10 0.07 0.18 -0.04 3.68 3.80 2gvhC1 PRO 85 HD3 -0.09 0.20 0.07 -0.04 3.65 3.79 2gvhC1 VAL 86 H -0.12 0.63 0.39 -0.55 8.24 8.59 2gvhC1 VAL 86 HA -0.08 0.24 1.02 -0.75 4.13 4.56 2gvhC1 VAL 86 HB -0.04 -0.05 0.05 -0.04 2.12 2.04 2gvhC1 VAL 86 HG13 -0.05 0.01 -0.18 -0.04 0.97 0.71 2gvhC1 VAL 86 HG23 -0.06 -0.00 -0.14 -0.04 0.95 0.71 2gvhC1 LYS 87 H -0.10 0.31 0.32 -0.55 8.42 8.40 2gvhC1 LYS 87 HA -0.05 0.15 0.52 -0.75 4.32 4.19 2gvhC1 LYS 87 HB2 -0.02 0.11 -0.08 -0.04 1.87 1.85 2gvhC1 LYS 87 HB3 -0.00 -0.10 0.01 -0.04 1.79 1.66 2gvhC1 LYS 87 HG2 0.02 -0.03 -0.14 -0.04 1.46 1.26 2gvhC1 LYS 87 HG3 -0.00 0.03 0.10 -0.04 1.46 1.55 2gvhC1 LYS 87 HD2 0.03 -0.05 -0.06 -0.04 1.69 1.58 2gvhC1 LYS 87 HD3 0.02 -0.01 -0.02 -0.04 1.68 1.62 2gvhC1 LYS 87 HE2 -0.00 0.12 0.04 -0.04 2.99 3.11 2gvhC1 LYS 87 HE3 0.01 -0.03 -0.04 -0.04 2.99 2.89 2gvhC1 ALA 88 H -0.01 0.22 0.13 -0.55 8.40 8.20 2gvhC1 ALA 88 HA 0.03 0.20 0.95 -0.75 4.34 4.76 2gvhC1 ALA 88 HB3 0.02 0.03 -0.05 -0.04 1.41 1.38 2gvhC1 GLY 89 H 0.08 0.62 0.19 -0.55 8.43 8.78 2gvhC1 GLY 89 HA2 0.05 0.16 0.69 -0.51 4.01 4.40 2gvhC1 GLY 89 HA3 0.06 -0.18 0.46 -0.51 4.01 3.85 2gvhC1 ARG 90 H 0.06 0.02 0.22 -0.55 8.46 8.21 2gvhC1 ARG 90 HA 0.05 0.26 0.84 -0.75 4.34 4.74 2gvhC1 ARG 90 HB2 0.06 -0.11 0.17 -0.04 1.90 1.98 2gvhC1 ARG 90 HB3 0.05 0.14 0.09 -0.04 1.80 2.05 2gvhC1 ARG 90 HG2 0.03 -0.09 0.09 -0.04 1.67 1.66 2gvhC1 ARG 90 HG3 0.03 0.02 0.06 -0.04 1.67 1.73 2gvhC1 ARG 90 HD2 0.01 0.09 0.09 -0.04 3.22 3.38 2gvhC1 ARG 90 HD3 0.02 0.02 -0.10 -0.04 3.22 3.12 2gvhC1 ARG 91 H 0.10 -0.20 0.19 -0.55 8.46 7.99 2gvhC1 ARG 91 HA 0.19 0.31 0.86 -0.75 4.34 4.96 2gvhC1 ARG 91 HB2 0.08 -0.10 0.05 -0.04 1.90 1.89 2gvhC1 ARG 91 HB3 0.08 0.01 0.11 -0.04 1.80 1.96 2gvhC1 ARG 91 HG2 0.10 0.05 0.10 -0.04 1.67 1.88 2gvhC1 ARG 91 HG3 0.17 0.14 -0.28 -0.04 1.67 1.66 2gvhC1 ARG 91 HD2 0.06 -0.14 -0.01 -0.04 3.22 3.09 2gvhC1 ARG 91 HD3 0.03 0.08 0.04 -0.04 3.22 3.33 2gvhC1 SER 92 H 0.11 -0.17 0.17 -0.55 8.46 8.02 2gvhC1 SER 92 HA 0.16 0.21 0.71 -0.75 4.49 4.82 2gvhC1 SER 92 HB2 0.08 -0.13 0.17 -0.04 3.95 4.02 2gvhC1 SER 92 HB3 0.11 0.06 -0.08 -0.04 3.93 3.98 2gvhC1 LEU 93 H 0.16 0.31 0.25 -0.55 8.37 8.55 2gvhC1 LEU 93 HA 0.02 0.23 1.04 -0.75 4.35 4.89 2gvhC1 LEU 93 HB2 0.11 0.04 -0.07 -0.04 1.64 1.68 2gvhC1 LEU 93 HB3 -0.10 0.00 0.13 -0.04 1.64 1.64 2gvhC1 LEU 93 HG -0.19 0.01 -0.17 -0.04 1.64 1.25 2gvhC1 LEU 93 HD13 -0.33 0.04 0.03 -0.04 0.93 0.63 2gvhC1 LEU 93 HD23 -0.30 0.01 -0.04 -0.04 0.89 0.52 2gvhC1 THR 94 H -0.03 0.58 0.26 -0.55 8.28 8.53 2gvhC1 THR 94 HA -0.11 0.27 1.04 -0.75 4.39 4.83 2gvhC1 THR 94 HB -0.05 -0.15 0.17 -0.04 4.32 4.25 2gvhC1 THR 94 HG23 -0.22 0.01 -0.10 -0.04 1.22 0.87 2gvhC1 VAL 95 H -0.08 0.84 0.43 -0.55 8.24 8.88 2gvhC1 VAL 95 HA -0.09 0.24 1.20 -0.75 4.13 4.73 2gvhC1 VAL 95 HB -0.00 -0.08 0.10 -0.04 2.12 2.09 2gvhC1 VAL 95 HG13 -0.08 0.02 -0.24 -0.04 0.97 0.63 2gvhC1 VAL 95 HG23 -0.15 0.04 -0.20 -0.04 0.95 0.60 2gvhC1 GLU 96 H -0.04 0.79 0.40 -0.55 8.60 9.20 2gvhC1 GLU 96 HA 0.02 0.17 1.05 -0.75 4.29 4.78 2gvhC1 GLU 96 HB2 -0.03 -0.07 0.03 -0.04 2.09 1.98 2gvhC1 GLU 96 HB3 -0.02 0.01 0.18 -0.04 1.99 2.11 2gvhC1 GLU 96 HG2 -0.00 0.02 -0.21 -0.04 2.34 2.10 2gvhC1 GLU 96 HG3 -0.01 0.02 0.01 -0.04 2.34 2.33 2gvhC1 VAL 97 H 0.10 0.85 0.46 -0.55 8.24 9.10 2gvhC1 VAL 97 HA 0.04 0.48 1.30 -0.75 4.13 5.19 2gvhC1 VAL 97 HB 0.24 -0.09 0.09 -0.04 2.12 2.32 2gvhC1 VAL 97 HG13 0.11 0.03 -0.17 -0.04 0.97 0.90 2gvhC1 VAL 97 HG23 -0.04 -0.02 -0.26 -0.04 0.95 0.59 2gvhC1 GLU 98 H 0.02 0.51 0.26 -0.55 8.60 8.85 2gvhC1 GLU 98 HA -0.02 0.35 0.97 -0.75 4.29 4.83 2gvhC1 GLU 98 HB2 -0.01 -0.06 -0.07 -0.04 2.09 1.90 2gvhC1 GLU 98 HB3 -0.02 -0.02 0.11 -0.04 1.99 2.01 2gvhC1 GLU 98 HG2 -0.05 0.08 -0.03 -0.04 2.34 2.29 2gvhC1 GLU 98 HG3 -0.04 0.03 -0.05 -0.04 2.34 2.24 2gvhC1 VAL 100 HA -0.08 -0.11 0.27 -0.75 4.13 3.46 2gvhC1 VAL 100 HB -0.07 -0.00 0.08 -0.04 2.12 2.09 2gvhC1 VAL 100 HG13 -0.02 0.02 -0.15 -0.04 0.97 0.77 2gvhC1 VAL 100 HG23 -0.06 -0.02 -0.04 -0.04 0.95 0.79 2gvhC1 ALA 101 H -0.01 0.08 0.17 -0.55 8.40 8.09 2gvhC1 ALA 101 HA 0.02 0.32 1.03 -0.75 4.34 4.95 2gvhC1 ALA 101 HB3 0.05 -0.03 -0.01 -0.04 1.41 1.38 2gvhC1 GLU 102 H 0.07 0.69 0.27 -0.55 8.60 9.08 2gvhC1 GLU 102 HA 0.04 0.23 0.79 -0.75 4.29 4.59 2gvhC1 GLU 102 HB2 0.02 0.04 0.05 -0.04 2.09 2.15 2gvhC1 GLU 102 HB3 -0.01 0.02 -0.17 -0.04 1.99 1.79 2gvhC1 GLU 102 HG2 0.01 -0.04 -0.32 -0.04 2.34 1.96 2gvhC1 GLU 102 HG3 0.01 -0.05 -0.34 -0.04 2.34 1.92 2gvhC1 THR 103 H -0.15 0.45 0.15 -0.55 8.28 8.18 2gvhC1 THR 103 HA -0.47 0.20 0.56 -0.75 4.39 3.92 2gvhC1 THR 103 HB -0.21 -0.01 0.07 -0.04 4.32 4.13 2gvhC1 THR 103 HG23 -0.53 0.02 0.06 -0.04 1.22 0.73 2gvhC1 ILE 104 H -0.19 0.44 0.22 -0.55 8.25 8.17 2gvhC1 ILE 104 HA -0.04 0.12 0.36 -0.75 4.18 3.86 2gvhC1 ILE 104 HB -0.04 -0.13 0.05 -0.04 1.89 1.73 2gvhC1 ILE 104 HG12 0.04 0.05 -0.20 -0.04 1.49 1.34 2gvhC1 ILE 104 HG13 -0.05 -0.03 -0.38 -0.04 1.21 0.71 2gvhC1 ILE 104 HG23 0.02 0.00 -0.28 -0.04 0.93 0.64 2gvhC1 ILE 104 HD13 -0.08 -0.02 -0.18 -0.04 0.88 0.55 2gvhC1 ILE 105 H -0.07 -0.02 0.04 -0.55 8.25 7.65 2gvhC1 ILE 105 HA -0.03 0.47 0.90 -0.75 4.18 4.76 2gvhC1 ILE 105 HB -0.04 -0.09 0.21 -0.04 1.89 1.93 2gvhC1 ILE 105 HG12 -0.00 0.06 0.12 -0.04 1.49 1.62 2gvhC1 ILE 105 HG13 -0.01 -0.09 0.01 -0.04 1.21 1.07 2gvhC1 ILE 105 HG23 -0.01 0.02 0.02 -0.04 0.93 0.91 2gvhC1 ILE 105 HD13 0.00 -0.02 0.09 -0.04 0.88 0.91 2gvhC1 GLY 106 H -0.04 0.82 0.23 -0.55 8.43 8.90 2gvhC1 GLY 106 HA2 -0.02 0.04 0.33 -0.51 4.01 3.85 2gvhC1 GLY 106 HA3 -0.02 0.03 0.53 -0.51 4.01 4.04 2gvhC1 ARG 107 H -0.05 0.24 -0.60 -0.55 8.46 7.49 2gvhC1 ARG 107 HA -0.04 0.23 0.23 -0.75 4.34 4.01 2gvhC1 ARG 107 HB2 -0.03 -0.02 -0.29 -0.04 1.90 1.52 2gvhC1 ARG 107 HB3 -0.02 0.01 0.27 -0.04 1.80 2.01 2gvhC1 ARG 107 HG2 -0.01 -0.08 0.03 -0.04 1.67 1.56 2gvhC1 ARG 107 HG3 -0.03 0.04 0.02 -0.04 1.67 1.67 2gvhC1 ARG 107 HD2 -0.03 0.15 0.07 -0.04 3.22 3.38 2gvhC1 ARG 107 HD3 -0.02 -0.03 0.05 -0.04 3.22 3.18 2gvhC1 GLN 108 H -0.06 0.04 -0.10 -0.55 8.47 7.80 2gvhC1 GLN 108 HA 0.03 0.20 0.84 -0.75 4.36 4.68 2gvhC1 GLN 108 HB2 0.13 -0.08 -0.01 -0.04 2.15 2.15 2gvhC1 GLN 108 HB3 0.13 0.04 0.02 -0.04 2.02 2.17 2gvhC1 GLN 108 HG2 0.03 0.11 -0.11 -0.04 2.40 2.39 2gvhC1 GLN 108 HG3 0.01 -0.04 -0.10 -0.04 2.39 2.21 2gvhC1 GLN 108 HE21 0.06 -0.05 -0.00 -0.04 6.97 6.94 2gvhC1 GLN 108 HE22 0.04 0.04 -0.01 -0.04 7.69 7.72 2gvhC1 GLN 109 H 0.06 0.15 0.17 -0.55 8.47 8.31 2gvhC1 GLN 109 HA 0.06 0.21 0.67 -0.75 4.36 4.55 2gvhC1 GLN 109 HB2 0.03 0.04 0.10 -0.04 2.15 2.28 2gvhC1 GLN 109 HB3 0.04 -0.05 0.16 -0.04 2.02 2.12 2gvhC1 GLN 109 HG2 0.03 -0.07 -0.24 -0.04 2.40 2.08 2gvhC1 GLN 109 HG3 0.03 0.08 0.11 -0.04 2.39 2.57 2gvhC1 GLN 109 HE21 -0.00 -0.02 -0.01 -0.04 6.97 6.90 2gvhC1 GLN 109 HE22 0.01 0.00 0.01 -0.04 7.69 7.67 2gvhC1 HIS 110 H 0.14 0.58 0.46 -0.55 8.41 9.05 2gvhC1 HIS 110 HA 0.00 0.17 0.97 -0.75 4.63 5.02 2gvhC1 HIS 110 HB2 0.03 0.07 0.05 -0.04 3.26 3.36 2gvhC1 HIS 110 HB3 -0.07 -0.08 0.01 -0.04 3.20 3.02 2gvhC1 HIS 110 HD2 0.18 -0.10 0.02 -0.04 6.97 7.02 2gvhC1 HIS 110 HE1 0.03 -0.02 -0.06 -0.04 7.75 7.66 2gvhC1 THR 111 H 0.05 0.25 0.35 -0.55 8.28 8.38 2gvhC1 THR 111 HA -0.02 0.20 0.82 -0.75 4.39 4.64 2gvhC1 THR 111 HB -0.01 -0.04 0.18 -0.04 4.32 4.41 2gvhC1 THR 111 HG23 -0.10 0.03 -0.25 -0.04 1.22 0.86 2gvhC1 CYS 112 H -0.05 0.13 0.02 -0.55 8.50 8.06 2gvhC1 CYS 112 HA -0.06 0.17 0.65 -0.75 4.58 4.58 2gvhC1 CYS 112 HB2 -0.02 0.09 -0.39 -0.04 2.97 2.61 2gvhC1 CYS 112 HB3 -0.04 -0.05 0.07 -0.04 2.97 2.92 2gvhC1 THR 113 H -0.12 0.19 0.19 -0.55 8.28 7.98 2gvhC1 THR 113 HA -0.14 0.09 0.68 -0.75 4.39 4.26 2gvhC1 THR 113 HB -0.28 0.02 0.13 -0.04 4.32 4.15 2gvhC1 THR 113 HG23 -0.51 0.04 -0.10 -0.04 1.22 0.62 2gvhC1 ARG 114 H -0.10 0.14 0.30 -0.55 8.46 8.25 2gvhC1 ARG 114 HA -0.03 0.38 1.21 -0.75 4.34 5.15 2gvhC1 ARG 114 HB2 -0.04 -0.04 0.06 -0.04 1.90 1.84 2gvhC1 ARG 114 HB3 -0.04 -0.06 0.02 -0.04 1.80 1.69 2gvhC1 ARG 114 HG2 -0.01 0.11 0.03 -0.04 1.67 1.76 2gvhC1 ARG 114 HG3 -0.03 0.00 -0.04 -0.04 1.67 1.57 2gvhC1 ARG 114 HD2 -0.02 -0.06 -0.04 -0.04 3.22 3.06 2gvhC1 ARG 114 HD3 -0.02 -0.02 -0.07 -0.04 3.22 3.07 2gvhC1 GLY 115 H 0.04 0.83 0.45 -0.55 8.43 9.21 2gvhC1 GLY 115 HA2 -0.05 0.15 0.83 -0.51 4.01 4.43 2gvhC1 GLY 115 HA3 0.09 0.05 0.32 -0.51 4.01 3.96 2gvhC1 ILE 116 H -0.17 0.23 0.20 -0.55 8.25 7.96 2gvhC1 ILE 116 HA -0.03 0.30 1.10 -0.75 4.18 4.79 2gvhC1 ILE 116 HB -0.10 -0.07 0.17 -0.04 1.89 1.85 2gvhC1 ILE 116 HG23 -0.26 -0.01 -0.15 -0.04 0.93 0.46 2gvhC1 PHE 117 H 0.07 0.87 0.42 -0.55 8.34 9.14 2gvhC1 PHE 117 HA -0.05 0.16 1.14 -0.75 4.62 5.12 2gvhC1 PHE 117 HB2 -0.06 0.03 0.16 -0.04 3.15 3.23 2gvhC1 PHE 117 HB3 -0.02 0.02 0.02 -0.04 3.06 3.04 2gvhC1 PHE 117 HD2 0.01 0.01 -0.13 -0.04 7.28 7.12 2gvhC1 PHE 117 HE2 0.04 -0.02 -0.08 -0.04 7.38 7.28 2gvhC1 PHE 117 HZ 0.07 0.07 -0.02 -0.04 7.32 7.39 2gvhC1 HIS 118 H 0.13 0.73 0.36 -0.55 8.41 9.09 2gvhC1 HIS 118 HA 0.06 0.33 0.91 -0.75 4.63 5.18 2gvhC1 HIS 118 HB2 0.04 -0.07 0.15 -0.04 3.26 3.34 2gvhC1 HIS 118 HB3 0.05 -0.00 0.07 -0.04 3.20 3.27 2gvhC1 HIS 118 HD2 -0.04 0.02 -0.25 -0.04 6.97 6.65 2gvhC1 HIS 118 HE1 -0.00 -0.01 -0.10 -0.04 7.75 7.59 2gvhC1 VAL 120 HA 0.23 0.06 0.41 -0.75 4.13 4.08 2gvhC1 VAL 120 HB 0.12 -0.06 0.07 -0.04 2.12 2.21 2gvhC1 VAL 120 HG13 0.05 0.00 -0.19 -0.04 0.97 0.79 2gvhC1 VAL 120 HG23 0.11 -0.04 -0.20 -0.04 0.95 0.77 2gvhC1 ALA 121 H 0.07 0.39 0.27 -0.55 8.40 8.59 2gvhC1 ALA 121 HA -0.86 0.23 0.74 -0.75 4.34 3.69 2gvhC1 ALA 121 HB3 -0.42 -0.02 0.07 -0.04 1.41 1.00 2gvhC1 ILE 122 H -0.32 0.60 0.08 -0.55 8.25 8.06 2gvhC1 ILE 122 HA -0.13 0.17 0.76 -0.75 4.18 4.23 2gvhC1 ILE 122 HB -0.08 -0.06 0.08 -0.04 1.89 1.79 2gvhC1 ILE 122 HG12 -0.04 0.07 -0.38 -0.04 1.49 1.09 2gvhC1 ILE 122 HG13 -0.01 -0.08 -0.13 -0.04 1.21 0.95 2gvhC1 ILE 122 HG23 -0.05 -0.02 -0.09 -0.04 0.93 0.73 2gvhC1 ILE 122 HD13 -0.02 0.03 -0.10 -0.04 0.88 0.75 2gvhC1 PRO 123 HA -0.31 0.05 0.55 -0.51 4.44 4.22 2gvhC1 PRO 123 HB2 -0.20 0.02 -0.01 -0.04 2.28 2.05 2gvhC1 PRO 123 HB3 -0.89 0.09 0.06 -0.04 2.02 1.23 2gvhC1 PRO 123 HG2 -0.10 -0.05 0.03 -0.04 2.03 1.87 2gvhC1 PRO 123 HG3 -0.20 0.13 0.03 -0.04 2.03 1.95 2gvhC1 PRO 123 HD2 -0.14 0.05 0.07 -0.04 3.68 3.62 2gvhC1 PRO 123 HD3 -0.31 0.17 -0.28 -0.04 3.65 3.19 2gvhC1 GLU 124 H -0.12 0.17 0.24 -0.55 8.60 8.35 2gvhC1 GLU 124 HA -0.05 0.14 0.76 -0.75 4.29 4.39 2gvhC1 GLY 125 H -0.02 0.10 0.12 -0.55 8.43 8.08 2gvhC1 GLY 125 HA2 -0.01 0.00 0.31 -0.51 4.01 3.80 2gvhC1 GLY 125 HA3 -0.01 0.23 0.74 -0.51 4.01 4.46 2gvhC1 GLU 126 H 0.00 0.15 0.14 -0.55 8.60 8.34 2gvhC1 GLU 126 HA 0.00 0.10 0.55 -0.75 4.29 4.19 2gvhC1 ASP 127 H 0.01 0.12 -0.14 -0.55 8.40 7.84 2gvhC1 ASP 127 HA 0.02 0.10 0.48 -0.75 4.63 4.48 2gvhC1 ALA 128 H 0.01 0.30 -0.99 -0.55 8.40 7.18 2gvhC1 ALA 129 H 0.02 0.13 -0.03 -0.55 8.40 7.97 2gvhC1 SER 130 H 0.04 0.02 -0.72 -0.55 8.46 7.25 2gvhC1 SER 130 HA 0.02 0.11 0.57 -0.75 4.49 4.44 2gvhC1 TYR 131 H 0.14 0.48 -0.30 -0.55 8.29 8.06 2gvhC1 TYR 131 HA -0.02 0.05 0.51 -0.75 4.56 4.35 2gvhC1 TYR 131 HB2 -0.03 -0.01 0.11 -0.04 3.06 3.08 2gvhC1 TYR 131 HB3 -0.03 0.02 0.16 -0.04 2.98 3.09 2gvhC1 TYR 131 HD2 -0.03 -0.07 -0.16 -0.04 7.15 6.85 2gvhC1 TYR 131 HE2 -0.03 0.02 -0.11 -0.04 6.85 6.70 2gvhC1 VAL 132 H -0.37 0.18 0.26 -0.55 8.24 7.77 2gvhC1 VAL 132 HA -0.06 0.23 1.11 -0.75 4.13 4.65 2gvhC1 VAL 132 HB -0.05 -0.01 0.19 -0.04 2.12 2.20 2gvhC1 VAL 132 HG13 -0.04 -0.01 -0.10 -0.04 0.97 0.78 2gvhC1 VAL 132 HG23 -0.13 0.04 -0.07 -0.04 0.95 0.75 2gvhC1 LEU 133 H 0.04 0.67 0.29 -0.55 8.37 8.82 2gvhC1 LEU 133 HA 0.02 0.07 0.53 -0.75 4.35 4.22 2gvhC1 LEU 133 HB2 0.14 0.02 -0.06 -0.04 1.64 1.69 2gvhC1 LEU 133 HB3 0.25 0.11 -0.11 -0.04 1.64 1.85 2gvhC1 LEU 133 HG 0.34 0.07 -0.06 -0.04 1.64 1.95 2gvhC1 LEU 133 HD13 0.25 -0.10 -0.60 -0.04 0.93 0.44 2gvhC1 LEU 133 HD23 0.53 0.01 -0.07 -0.04 0.89 1.31 2gvhC1 PRO 134 HA -0.08 0.03 0.45 -0.51 4.44 4.34 2gvhC1 PRO 134 HB2 -0.27 0.02 -0.20 -0.04 2.28 1.78 2gvhC1 PRO 134 HB3 -0.17 0.16 0.02 -0.04 2.02 1.99 2gvhC1 PRO 134 HG2 -0.67 0.15 -0.00 -0.04 2.03 1.47 2gvhC1 PRO 134 HG3 -0.23 0.04 0.06 -0.04 2.03 1.85 2gvhC1 PRO 134 HD2 -0.04 0.02 0.09 -0.04 3.68 3.71 2gvhC1 PRO 134 HD3 -0.10 0.18 0.20 -0.04 3.65 3.90 2gvhC1 GLU 135 H -0.00 0.11 0.01 -0.55 8.60 8.17 2gvhC1 GLU 135 HA 0.08 0.15 0.56 -0.75 4.29 4.33 2gvhC1 GLU 135 HB2 0.01 0.03 0.05 -0.04 2.09 2.14 2gvhC1 GLU 135 HB3 0.01 -0.09 0.09 -0.04 1.99 1.96 2gvhC1 GLU 135 HG2 0.02 0.10 -0.23 -0.04 2.34 2.19 2gvhC1 GLU 135 HG3 0.02 0.00 0.03 -0.04 2.34 2.35 2gvhC1 LEU 136 H 0.09 0.13 0.14 -0.55 8.37 8.19 2gvhC1 LEU 136 HA 0.26 0.34 0.87 -0.75 4.35 5.06 2gvhC1 LEU 136 HB2 -0.02 0.06 -0.10 -0.04 1.64 1.54 2gvhC1 LEU 136 HB3 -0.00 -0.11 0.08 -0.04 1.64 1.56 2gvhC1 LEU 136 HG -0.06 -0.01 -0.45 -0.04 1.64 1.07 2gvhC1 LEU 136 HD13 -0.21 0.05 -0.06 -0.04 0.93 0.67 2gvhC1 LEU 136 HD23 -0.17 -0.01 -0.42 -0.04 0.89 0.25 2gvhC1 LEU 137 H -0.01 0.75 0.20 -0.55 8.37 8.76 2gvhC1 LEU 137 HA -0.09 0.10 0.84 -0.75 4.35 4.45 2gvhC1 LEU 137 HB2 -0.58 -0.02 -0.19 -0.04 1.64 0.82 2gvhC1 LEU 137 HB3 -0.30 -0.01 0.06 -0.04 1.64 1.34 2gvhC1 LEU 137 HG -0.09 -0.02 -0.31 -0.04 1.64 1.18 2gvhC1 LEU 137 HD13 -0.20 -0.01 -0.23 -0.04 0.93 0.45 2gvhC1 LEU 137 HD23 -0.07 0.00 -0.09 -0.04 0.89 0.69 2gvhC1 THR 138 H -0.09 0.07 0.14 -0.55 8.28 7.85 2gvhC1 THR 138 HA -0.04 0.16 0.83 -0.75 4.39 4.59 2gvhC1 THR 138 HB -0.01 0.06 0.15 -0.04 4.32 4.47 2gvhC1 THR 138 HG23 -0.03 0.00 0.04 -0.04 1.22 1.18 2gvhC1 GLU 139 H 0.02 0.18 0.20 -0.55 8.60 8.46 2gvhC1 GLU 139 HA 0.22 0.03 0.50 -0.75 4.29 4.28 2gvhC1 GLU 140 H 0.08 0.18 0.08 -0.55 8.60 8.39 2gvhC1 GLU 140 HA 0.03 0.13 0.79 -0.75 4.29 4.49 2gvhC1 THR 141 H 0.01 0.12 -0.02 -0.55 8.28 7.85 2gvhC1 THR 141 HA 0.01 0.11 0.38 -0.75 4.39 4.13 2gvhC1 PRO 142 HA 0.00 0.09 0.68 -0.51 4.44 4.70 2gvhC1 PRO 142 HB2 -0.00 0.02 -0.02 -0.04 2.28 2.23 2gvhC1 PRO 142 HB3 -0.01 0.02 0.08 -0.04 2.02 2.07 2gvhC1 PRO 142 HG2 -0.00 0.04 0.07 -0.04 2.03 2.10 2gvhC1 PRO 142 HG3 -0.00 0.05 0.11 -0.04 2.03 2.15 2gvhC1 PRO 142 HD2 0.00 0.07 0.21 -0.04 3.68 3.93 2gvhC1 PRO 142 HD3 0.01 0.12 0.26 -0.04 3.65 3.99 2gvhC1 ASP 143 H -0.00 0.10 0.06 -0.55 8.40 8.01 2gvhC1 ASP 143 HA 0.00 0.06 -0.01 -0.75 4.63 3.92 2gvhC1 ALA 147 HA 0.13 0.01 0.38 -0.75 4.34 4.11 2gvhC1 ALA 147 HB3 0.04 -0.03 -0.02 -0.04 1.41 1.36 2gvhC1 VAL 148 H 0.09 0.57 0.33 -0.55 8.24 8.68 2gvhC1 VAL 148 HA 0.06 0.16 0.78 -0.75 4.13 4.37 2gvhC1 VAL 148 HB 0.06 -0.09 0.07 -0.04 2.12 2.12 2gvhC1 VAL 148 HG13 0.05 -0.01 -0.05 -0.04 0.97 0.92 2gvhC1 VAL 148 HG23 0.05 0.02 -0.04 -0.04 0.95 0.94 2gvhC1 THR 149 H 0.07 0.18 0.14 -0.55 8.28 8.11 2gvhC1 THR 149 HA 0.12 0.46 0.98 -0.75 4.39 5.20 2gvhC1 THR 149 HB 0.05 0.00 0.12 -0.04 4.32 4.45 2gvhC1 THR 149 HG23 0.05 0.00 0.00 -0.04 1.22 1.24 2gvhC1 VAL 151 HA 0.10 0.07 0.52 -0.75 4.13 4.06 2gvhC1 VAL 151 HB 0.00 -0.02 0.10 -0.04 2.12 2.17 2gvhC1 VAL 151 HG13 0.04 -0.02 -0.04 -0.04 0.97 0.91 2gvhC1 VAL 151 HG23 0.02 0.00 -0.12 -0.04 0.95 0.81 2gvhC1 GLU 152 H -0.16 0.46 0.37 -0.55 8.60 8.73 2gvhC1 GLU 152 HA -0.06 0.05 0.40 -0.75 4.29 3.93 2gvhC1 GLU 152 HB2 0.03 0.13 0.08 -0.04 2.09 2.29 2gvhC1 GLU 152 HB3 -0.52 -0.08 0.05 -0.04 1.99 1.40 2gvhC1 GLU 152 HG2 0.11 -0.06 0.06 -0.04 2.34 2.41 2gvhC1 GLU 152 HG3 -0.13 0.23 0.05 -0.04 2.34 2.45 2gvhC1 ILE 153 H -0.24 0.10 0.13 -0.55 8.25 7.69 2gvhC1 ILE 153 HA -0.20 0.13 0.75 -0.75 4.18 4.10 2gvhC1 ILE 153 HB -0.56 -0.06 0.07 -0.04 1.89 1.30 2gvhC1 ILE 153 HG12 -0.03 0.05 -0.02 -0.04 1.49 1.45 2gvhC1 ILE 153 HG13 -0.07 -0.04 -0.07 -0.04 1.21 0.99 2gvhC1 ILE 153 HG23 -0.37 0.00 -0.16 -0.04 0.93 0.36 2gvhC1 ILE 153 HD13 0.03 0.00 -0.04 -0.04 0.88 0.83 2gvhC1 VAL 154 H -0.21 0.51 0.30 -0.55 8.24 8.29 2gvhC1 VAL 154 HA -0.18 0.02 0.72 -0.75 4.13 3.94 2gvhC1 VAL 154 HB -0.10 0.19 0.21 -0.04 2.12 2.38 2gvhC1 VAL 154 HG13 -0.04 -0.03 -0.33 -0.04 0.97 0.52 2gvhC1 VAL 154 HG23 -0.08 -0.02 -0.15 -0.04 0.95 0.66 2gvhC1 PHE 155 H 0.03 0.12 0.06 -0.55 8.34 8.00 2gvhC1 PHE 155 HA -0.02 0.24 0.62 -0.75 4.62 4.71 2gvhC1 PHE 155 HB2 0.00 -0.06 0.03 -0.04 3.15 3.08 2gvhC1 PHE 155 HB3 -0.01 -0.07 0.03 -0.04 3.06 2.98 2gvhC1 PHE 155 HD2 -0.02 -0.01 -0.01 -0.04 7.28 7.20 2gvhC1 PHE 155 HE2 -0.04 0.02 -0.03 -0.04 7.38 7.30 2gvhC1 PHE 155 HZ -0.04 0.02 -0.03 -0.04 7.32 7.22 2gvhC1 PRO 156 HA 0.05 0.10 0.39 -0.51 4.44 4.46 2gvhC1 PRO 156 HB2 0.05 -0.00 0.04 -0.04 2.28 2.33 2gvhC1 PRO 156 HB3 0.04 0.04 0.07 -0.04 2.02 2.13 2gvhC1 PRO 156 HG2 0.06 0.03 0.08 -0.04 2.03 2.17 2gvhC1 PRO 156 HG3 0.05 0.08 0.08 -0.04 2.03 2.20 2gvhC1 PRO 156 HD2 0.23 0.07 0.20 -0.04 3.68 4.14 2gvhC1 PRO 156 HD3 0.12 0.26 0.21 -0.04 3.65 4.20 2gvhC1 ASP 157 H 0.11 0.09 -0.23 -0.55 8.40 7.82 2gvhC1 ASP 157 HA 0.09 0.08 0.31 -0.75 4.63 4.36 2gvhC1 ASP 157 HB2 0.03 -0.03 0.00 -0.04 2.71 2.67 2gvhC1 ASP 157 HB3 0.04 0.03 -0.03 -0.04 2.70 2.69 2gvhC1 GLN 158 H 0.16 0.35 -0.54 -0.55 8.47 7.90 2gvhC1 GLN 158 HA 0.24 0.10 0.75 -0.75 4.36 4.70 2gvhC1 GLN 158 HB2 0.12 0.09 -0.01 -0.04 2.15 2.31 2gvhC1 GLN 158 HB3 0.15 -0.03 0.10 -0.04 2.02 2.19 2gvhC1 GLN 158 HG2 0.15 0.00 -0.04 -0.04 2.40 2.48 2gvhC1 GLN 158 HG3 0.21 -0.12 -0.09 -0.04 2.39 2.34 2gvhC1 GLN 158 HE21 0.13 0.08 -0.01 -0.04 6.97 7.12 2gvhC1 GLN 158 HE22 0.15 -0.02 -0.01 -0.04 7.69 7.76 2gvhC1 ALA 159 H 0.09 0.55 -0.28 -0.55 8.40 8.21 2gvhC1 ALA 159 HA -0.33 0.34 0.54 -0.75 4.34 4.13 2gvhC1 ALA 159 HB3 -0.08 -0.04 -0.17 -0.04 1.41 1.07 2gvhC1 ASN 160 H -0.57 0.59 0.27 -0.55 8.53 8.27 2gvhC1 ASN 160 HA -0.10 0.21 0.73 -0.75 4.76 4.84 2gvhC1 ASN 160 HB2 -0.10 -0.13 0.22 -0.04 2.88 2.82 2gvhC1 ASN 160 HB3 -0.76 0.11 0.15 -0.04 2.79 2.25 2gvhC1 ASN 160 HD21 -0.20 -0.03 -0.01 -0.04 7.03 6.75 2gvhC1 ASN 160 HD22 -0.33 0.04 0.02 -0.04 7.74 7.43 2gvhC1 SER 161 H -0.02 0.16 0.18 -0.55 8.46 8.24 2gvhC1 SER 161 HA -0.02 0.18 0.31 -0.75 4.49 4.20 2gvhC1 SER 161 HB2 -0.00 0.05 0.13 -0.04 3.95 4.09 2gvhC1 SER 161 HB3 0.01 0.01 0.14 -0.04 3.93 4.06 2gvhC1 ALA 162 H -0.08 -0.00 -0.31 -0.55 8.40 7.47 2gvhC1 ALA 162 HA -0.04 0.20 0.77 -0.75 4.34 4.53 2gvhC1 ALA 162 HB3 -0.06 -0.00 0.06 -0.04 1.41 1.37 2gvhC1 GLY 163 H -0.09 0.58 -0.32 -0.55 8.43 8.06 2gvhC1 GLY 163 HA2 -0.06 0.09 0.26 -0.51 4.01 3.79 2gvhC1 GLY 163 HA3 -0.05 0.09 0.56 -0.51 4.01 4.10 2gvhC1 ARG 164 H -0.17 -0.03 -0.19 -0.55 8.46 7.52 2gvhC1 ARG 164 HA -0.11 0.41 0.64 -0.75 4.34 4.53 2gvhC1 ARG 164 HB2 -0.18 -0.12 0.00 -0.04 1.90 1.56 2gvhC1 ARG 164 HB3 -0.14 0.04 0.00 -0.04 1.80 1.66 2gvhC1 ARG 164 HG2 -0.07 0.10 -0.28 -0.04 1.67 1.38 2gvhC1 ARG 164 HG3 -0.08 0.01 -0.34 -0.04 1.67 1.21 2gvhC1 ARG 164 HD2 -0.09 -0.06 -0.07 -0.04 3.22 2.97 2gvhC1 ARG 164 HD3 -0.07 -0.02 -0.08 -0.04 3.22 3.01 2gvhC1 PHE 166 HA -0.07 -0.10 0.15 -0.75 4.62 3.85 2gvhC1 PHE 166 HB2 -0.01 0.01 0.18 -0.04 3.15 3.28 2gvhC1 PHE 166 HB3 -0.02 -0.16 0.06 -0.04 3.06 2.90 2gvhC1 PHE 166 HD2 -0.01 0.04 -0.08 -0.04 7.28 7.19 2gvhC1 PHE 166 HE2 -0.01 0.08 -0.17 -0.04 7.38 7.24 2gvhC1 PHE 166 HZ -0.01 -0.03 -0.06 -0.04 7.32 7.19 2gvhC1 GLY 167 H -0.08 0.15 0.09 -0.55 8.43 8.05 2gvhC1 GLY 167 HA2 -0.41 0.10 0.47 -0.51 4.01 3.66 2gvhC1 GLY 167 HA3 -0.45 0.07 0.32 -0.51 4.01 3.45 2gvhC1 GLY 168 H 0.08 0.09 -0.22 -0.55 8.43 7.83 2gvhC1 GLY 168 HA2 0.12 0.08 0.39 -0.51 4.01 4.10 2gvhC1 GLY 168 HA3 0.07 0.06 0.26 -0.51 4.01 3.88 2gvhC1 GLU 169 H 0.15 0.30 -0.32 -0.55 8.60 8.19 2gvhC1 GLU 169 HA 0.11 0.02 0.40 -0.75 4.29 4.08 2gvhC1 GLU 169 HB2 0.21 0.00 0.17 -0.04 2.09 2.43 2gvhC1 GLU 169 HB3 0.14 0.13 0.08 -0.04 1.99 2.29 2gvhC1 GLU 169 HG2 0.15 0.01 0.05 -0.04 2.34 2.50 2gvhC1 GLU 169 HG3 0.13 -0.04 0.06 -0.04 2.34 2.45 2gvhC1 ALA 170 H 0.11 0.42 -0.02 -0.55 8.40 8.37 2gvhC1 ALA 170 HA 0.18 0.04 0.57 -0.75 4.34 4.38 2gvhC1 ALA 170 HB3 0.22 0.01 0.06 -0.04 1.41 1.65 2gvhC1 ILE 171 H 0.23 0.36 -0.41 -0.55 8.25 7.87 2gvhC1 ILE 171 HA 0.25 0.03 0.42 -0.75 4.18 4.13 2gvhC1 ILE 171 HB 0.19 0.06 0.19 -0.04 1.89 2.29 2gvhC1 ILE 171 HG12 0.21 -0.03 -0.04 -0.04 1.49 1.60 2gvhC1 ILE 171 HG13 0.50 0.04 -0.07 -0.04 1.21 1.64 2gvhC1 ILE 171 HG23 0.23 -0.02 -0.16 -0.04 0.93 0.94 2gvhC1 ILE 171 HD13 0.26 -0.04 -0.11 -0.04 0.88 0.95 2gvhC1 ALA 172 H 0.14 0.52 -0.03 -0.55 8.40 8.48 2gvhC1 ALA 172 HA 0.04 -0.02 0.34 -0.75 4.34 3.94 2gvhC1 ALA 172 HB3 0.08 0.00 0.08 -0.04 1.41 1.53 2gvhC1 TYR 173 H 0.22 0.39 -0.35 -0.55 8.29 8.00 2gvhC1 TYR 173 HA 0.03 -0.02 0.24 -0.75 4.56 4.06 2gvhC1 TYR 173 HB2 0.07 0.03 0.07 -0.04 3.06 3.19 2gvhC1 TYR 173 HB3 0.07 0.12 0.09 -0.04 2.98 3.22 2gvhC1 TYR 173 HD2 0.07 -0.00 -0.02 -0.04 7.15 7.16 2gvhC1 TYR 173 HE2 0.07 -0.05 -0.02 -0.04 6.85 6.81 2gvhC1 THR 175 HA -0.92 -0.14 0.28 -0.75 4.39 2.86 2gvhC1 THR 175 HB -0.13 0.10 0.08 -0.04 4.32 4.33 2gvhC1 THR 175 HG23 -0.15 -0.03 -0.06 -0.04 1.22 0.93 2gvhC1 LYS 176 H -0.16 0.80 -0.66 -0.55 8.42 7.84 2gvhC1 LYS 176 HA -0.08 -0.05 0.39 -0.75 4.32 3.83 2gvhC1 LYS 176 HB2 -0.08 0.02 0.06 -0.04 1.87 1.83 2gvhC1 LYS 176 HB3 -0.30 0.14 0.16 -0.04 1.79 1.75 2gvhC1 LYS 176 HG2 -0.09 -0.03 -0.18 -0.04 1.46 1.12 2gvhC1 LYS 176 HG3 -0.07 -0.09 0.02 -0.04 1.46 1.28 2gvhC1 LYS 176 HD2 -0.00 0.00 0.02 -0.04 1.69 1.67 2gvhC1 LYS 176 HD3 -0.03 0.12 0.02 -0.04 1.68 1.74 2gvhC1 LYS 176 HE2 0.04 -0.08 0.10 -0.04 2.99 3.00 2gvhC1 LYS 176 HE3 0.03 -0.06 0.04 -0.04 2.99 2.95 2gvhC1 ALA 177 H -0.35 0.70 0.22 -0.55 8.40 8.42 2gvhC1 ALA 177 HA -0.10 0.03 0.46 -0.75 4.34 3.98 2gvhC1 ALA 177 HB3 -0.16 0.02 -0.05 -0.04 1.41 1.17 2gvhC1 ALA 178 H -0.24 0.23 -0.49 -0.55 8.40 7.36 2gvhC1 ALA 178 HA -0.06 0.00 0.19 -0.75 4.34 3.71 2gvhC1 ALA 178 HB3 -0.29 0.03 0.01 -0.04 1.41 1.12 2gvhC1 PHE 179 H 0.07 0.55 -0.28 -0.55 8.34 8.12 2gvhC1 PHE 179 HA -0.03 0.01 0.28 -0.75 4.62 4.13 2gvhC1 PHE 179 HB2 -0.03 -0.03 -0.00 -0.04 3.15 3.05 2gvhC1 PHE 179 HB3 -0.05 0.20 0.18 -0.04 3.06 3.34 2gvhC1 PHE 179 HD2 0.01 0.04 -0.23 -0.04 7.28 7.06 2gvhC1 PHE 179 HE2 0.01 0.08 -0.03 -0.04 7.38 7.40 2gvhC1 PHE 179 HZ -0.12 -0.07 -0.04 -0.04 7.32 7.05 2gvhC1 VAL 180 H 0.18 0.61 -0.06 -0.55 8.24 8.42 2gvhC1 VAL 180 HA 0.12 -0.03 0.31 -0.75 4.13 3.77 2gvhC1 VAL 180 HB 0.04 0.09 0.13 -0.04 2.12 2.34 2gvhC1 VAL 180 HG13 0.05 -0.01 -0.17 -0.04 0.97 0.80 2gvhC1 VAL 180 HG23 0.11 0.03 -0.07 -0.04 0.95 0.97 2gvhC1 ALA 181 H -0.00 0.53 -0.24 -0.55 8.40 8.15 2gvhC1 ALA 181 HA 0.03 0.05 0.30 -0.75 4.34 3.96 2gvhC1 ALA 181 HB3 0.01 0.00 -0.07 -0.04 1.41 1.32 2gvhC1 ALA 182 H -0.07 0.55 -0.16 -0.55 8.40 8.17 2gvhC1 ALA 182 HA -0.03 -0.01 0.26 -0.75 4.34 3.81 2gvhC1 ALA 182 HB3 -0.10 0.01 0.00 -0.04 1.41 1.28 2gvhC1 SER 183 H -0.25 0.65 -0.25 -0.55 8.46 8.06 2gvhC1 SER 183 HA -0.19 0.09 0.36 -0.75 4.49 3.99 2gvhC1 SER 183 HB2 -0.82 -0.09 0.06 -0.04 3.95 3.05 2gvhC1 SER 183 HB3 -0.34 0.06 0.08 -0.04 3.93 3.69 2gvhC1 ARG 184 H -0.06 0.58 -0.00 -0.55 8.46 8.42 2gvhC1 ARG 184 HA -0.02 -0.01 0.50 -0.75 4.34 4.05 2gvhC1 ARG 184 HB2 0.02 0.16 0.16 -0.04 1.90 2.20 2gvhC1 ARG 184 HB3 0.02 -0.04 -0.00 -0.04 1.80 1.73 2gvhC1 ARG 184 HG2 0.00 -0.05 0.03 -0.04 1.67 1.61 2gvhC1 ARG 184 HG3 0.00 0.05 0.07 -0.04 1.67 1.74 2gvhC1 ARG 184 HD2 0.03 -0.01 -0.11 -0.04 3.22 3.09 2gvhC1 ARG 184 HD3 0.02 -0.00 -0.05 -0.04 3.22 3.15 2gvhC1 TYR 185 H 0.11 0.39 -0.44 -0.55 8.29 7.79 2gvhC1 TYR 185 HA -0.02 0.02 0.28 -0.75 4.56 4.09 2gvhC1 TYR 185 HB2 -0.01 -0.00 0.06 -0.04 3.06 3.06 2gvhC1 TYR 185 HB3 -0.03 0.13 0.12 -0.04 2.98 3.15 2gvhC1 TYR 185 HD2 -0.00 0.01 -0.14 -0.04 7.15 6.98 2gvhC1 TYR 185 HE2 0.01 -0.04 -0.04 -0.04 6.85 6.74 2gvhC1 CYS 186 H 0.07 0.42 -0.03 -0.55 8.50 8.41 2gvhC1 CYS 186 HA -0.03 0.12 0.74 -0.75 4.58 4.65 2gvhC1 CYS 186 HB2 0.03 -0.09 0.10 -0.04 2.97 2.97 2gvhC1 CYS 186 HB3 0.13 -0.02 0.03 -0.04 2.97 3.07 2gvhC1 GLY 187 H -0.04 0.63 -0.07 -0.55 8.43 8.40 2gvhC1 GLY 187 HA2 -0.05 0.07 0.31 -0.51 4.01 3.83 2gvhC1 GLY 187 HA3 -0.05 0.00 0.45 -0.51 4.01 3.91 2gvhC1 LYS 188 H -0.04 0.11 -0.25 -0.55 8.42 7.68 2gvhC1 LYS 188 HA -0.02 0.05 0.91 -0.75 4.32 4.50 2gvhC1 LYS 188 HB2 -0.02 -0.02 -0.08 -0.04 1.87 1.72 2gvhC1 LYS 188 HB3 -0.01 0.08 0.16 -0.04 1.79 1.98 2gvhC1 LYS 188 HG2 -0.01 -0.07 -0.04 -0.04 1.46 1.29 2gvhC1 LYS 188 HG3 -0.02 0.13 -0.36 -0.04 1.46 1.17 2gvhC1 LYS 188 HD2 -0.00 0.11 -0.10 -0.04 1.69 1.66 2gvhC1 LYS 188 HD3 0.00 -0.05 -0.15 -0.04 1.68 1.45 2gvhC1 LYS 188 HE2 0.00 -0.09 -0.07 -0.04 2.99 2.79 2gvhC1 LYS 188 HE3 0.00 -0.07 -0.04 -0.04 2.99 2.84 2gvhC1 LEU 189 H 0.01 0.10 0.14 -0.55 8.37 8.07 2gvhC1 LEU 189 HA 0.01 0.03 0.50 -0.75 4.35 4.14 2gvhC1 LEU 189 HB2 0.08 -0.09 0.09 -0.04 1.64 1.68 2gvhC1 LEU 189 HB3 0.06 0.05 0.09 -0.04 1.64 1.81 2gvhC1 LEU 189 HG 0.18 0.10 -0.20 -0.04 1.64 1.68 2gvhC1 LEU 189 HD13 0.40 -0.03 0.04 -0.04 0.93 1.30 2gvhC1 LEU 189 HD23 0.14 -0.02 -0.05 -0.04 0.89 0.92 2gvhC1 VAL 190 H -0.07 0.14 0.18 -0.55 8.24 7.94 2gvhC1 VAL 190 HA 0.00 0.34 0.97 -0.75 4.13 4.68 2gvhC1 VAL 190 HB -0.06 0.15 -0.13 -0.04 2.12 2.04 2gvhC1 VAL 190 HG13 -0.13 0.01 -0.39 -0.04 0.97 0.41 2gvhC1 VAL 190 HG23 -0.49 -0.04 -0.16 -0.04 0.95 0.23 2gvhC1 VAL 191 H 0.05 0.83 0.26 -0.55 8.24 8.83 2gvhC1 VAL 191 HA 0.18 0.06 0.75 -0.75 4.13 4.36 2gvhC1 VAL 191 HB 0.07 -0.02 0.03 -0.04 2.12 2.17 2gvhC1 VAL 191 HG13 0.10 -0.02 -0.22 -0.04 0.97 0.79 2gvhC1 VAL 191 HG23 0.05 0.03 -0.12 -0.04 0.95 0.87 2gvhC1 LEU 192 H 0.10 0.06 0.09 -0.55 8.37 8.08 2gvhC1 LEU 192 HA 0.09 0.18 0.57 -0.75 4.35 4.43 2gvhC1 LEU 192 HB2 0.08 0.01 0.05 -0.04 1.64 1.75 2gvhC1 LEU 192 HB3 0.07 -0.04 0.11 -0.04 1.64 1.74 2gvhC1 LEU 192 HG 0.10 -0.02 -0.38 -0.04 1.64 1.29 2gvhC1 LEU 192 HD13 0.19 0.04 -0.05 -0.04 0.93 1.07 2gvhC1 LEU 192 HD23 0.09 -0.01 -0.09 -0.04 0.89 0.84 2gvhC1 ALA 193 H 0.07 0.62 0.41 -0.55 8.40 8.96 2gvhC1 ALA 193 HA 0.04 0.18 0.97 -0.75 4.34 4.78 2gvhC1 ALA 193 HB3 0.03 -0.02 -0.04 -0.04 1.41 1.35 2gvhC1 SER 194 H 0.07 0.31 0.30 -0.55 8.46 8.60 2gvhC1 SER 194 HA 0.05 0.09 0.42 -0.75 4.49 4.30 2gvhC1 SER 194 HB2 0.01 0.04 0.08 -0.04 3.95 4.03 2gvhC1 SER 194 HB3 0.02 0.15 -0.02 -0.04 3.93 4.04 2gvhC1 SER 195 H 0.03 0.22 0.20 -0.55 8.46 8.36 2gvhC1 SER 195 HA -0.12 0.24 1.02 -0.75 4.49 4.87 2gvhC1 SER 195 HB2 -0.25 0.06 0.09 -0.04 3.95 3.80 2gvhC1 SER 195 HB3 0.20 -0.02 -0.00 -0.04 3.93 4.06 2gvhC1 GLU 196 H -0.26 0.45 0.30 -0.55 8.60 8.55 2gvhC1 GLU 196 HA -0.07 0.09 0.72 -0.75 4.29 4.27 2gvhC1 GLU 196 HB2 -0.09 -0.04 0.19 -0.04 2.09 2.11 2gvhC1 GLU 196 HB3 -0.09 -0.06 0.18 -0.04 1.99 1.98 2gvhC1 GLU 196 HG2 -0.08 0.15 0.02 -0.04 2.34 2.39 2gvhC1 GLU 196 HG3 -0.11 -0.02 0.03 -0.04 2.34 2.19 2gvhC1 ARG 197 H -0.06 0.06 0.16 -0.55 8.46 8.07 2gvhC1 ARG 197 HA -0.05 0.02 0.43 -0.75 4.34 3.98 2gvhC1 ARG 197 HB2 -0.04 -0.01 0.16 -0.04 1.90 1.97 2gvhC1 ARG 197 HB3 -0.05 -0.01 0.11 -0.04 1.80 1.81 2gvhC1 ARG 197 HG2 -0.04 0.02 -0.25 -0.04 1.67 1.35 2gvhC1 ARG 197 HG3 -0.02 0.00 0.02 -0.04 1.67 1.63 2gvhC1 ARG 197 HD2 -0.03 -0.01 0.00 -0.04 3.22 3.14 2gvhC1 ARG 197 HD3 -0.03 -0.00 -0.04 -0.04 3.22 3.10 2gvhC1 ILE 198 H -0.06 0.16 0.21 -0.55 8.25 8.00 2gvhC1 ILE 198 HA -0.17 0.26 0.94 -0.75 4.18 4.46 2gvhC1 ILE 198 HB -0.12 -0.07 0.13 -0.04 1.89 1.79 2gvhC1 ILE 198 HG12 -0.23 0.02 0.04 -0.04 1.49 1.27 2gvhC1 ILE 198 HG13 -0.17 0.28 -0.24 -0.04 1.21 1.03 2gvhC1 ILE 198 HG23 -0.50 0.01 -0.21 -0.04 0.93 0.19 2gvhC1 ILE 198 HD13 -0.07 -0.02 -0.04 -0.04 0.88 0.70 2gvhC1 ASP 199 H -0.16 0.23 0.14 -0.55 8.40 8.06 2gvhC1 ASP 199 HA -0.04 0.13 0.95 -0.75 4.63 4.92 2gvhC1 ASP 199 HB2 -0.07 -0.00 0.11 -0.04 2.71 2.70 2gvhC1 ASP 199 HB3 -0.02 0.06 -0.04 -0.04 2.70 2.65 2gvhC1 PHE 200 H 0.17 0.13 0.14 -0.55 8.34 8.22 2gvhC1 PHE 200 HA -0.01 0.30 0.94 -0.75 4.62 5.09 2gvhC1 PHE 200 HB2 0.00 -0.07 0.12 -0.04 3.15 3.16 2gvhC1 PHE 200 HB3 0.00 0.09 -0.07 -0.04 3.06 3.04 2gvhC1 PHE 200 HD2 0.01 0.04 -0.03 -0.04 7.28 7.27 2gvhC1 PHE 200 HE2 0.04 0.01 -0.10 -0.04 7.38 7.29 2gvhC1 PHE 200 HZ 0.06 0.13 -0.09 -0.04 7.32 7.38 2gvhC1 ALA 201 H 0.06 0.80 0.39 -0.55 8.40 9.10 2gvhC1 ALA 201 HA 0.03 0.03 0.50 -0.75 4.34 4.15 2gvhC1 ALA 201 HB3 0.00 0.01 0.07 -0.04 1.41 1.45 2gvhC1 ARG 202 H 0.09 0.24 0.16 -0.55 8.46 8.39 2gvhC1 ARG 202 HA 0.01 0.11 0.45 -0.75 4.34 4.15 2gvhC1 ARG 202 HB2 -0.04 -0.05 0.13 -0.04 1.90 1.90 2gvhC1 ARG 202 HB3 -0.06 0.07 -0.09 -0.04 1.80 1.68 2gvhC1 ARG 202 HG2 0.03 -0.01 -0.13 -0.04 1.67 1.52 2gvhC1 ARG 202 HG3 0.03 0.09 -0.38 -0.04 1.67 1.37 2gvhC1 ARG 202 HD2 -0.36 -0.01 -0.08 -0.04 3.22 2.73 2gvhC1 ARG 202 HD3 -0.02 -0.02 -0.13 -0.04 3.22 3.01 2gvhC1 ALA 203 H -0.02 0.13 0.09 -0.55 8.40 8.05 2gvhC1 ALA 203 HA -0.05 0.11 0.73 -0.75 4.34 4.38 2gvhC1 ALA 203 HB3 -0.06 0.00 0.01 -0.04 1.41 1.32 2gvhC1 ILE 204 H -0.04 0.11 0.12 -0.55 8.25 7.89 2gvhC1 ILE 204 HA 0.02 0.11 0.58 -0.75 4.18 4.14 2gvhC1 ILE 204 HB -0.01 -0.03 0.05 -0.04 1.89 1.86 2gvhC1 ILE 204 HG12 0.07 0.04 -0.12 -0.04 1.49 1.44 2gvhC1 ILE 204 HG13 0.06 -0.03 -0.15 -0.04 1.21 1.05 2gvhC1 ILE 204 HG23 -0.00 0.02 -0.21 -0.04 0.93 0.70 2gvhC1 ILE 204 HD13 0.10 0.00 -0.08 -0.04 0.88 0.86 2gvhC1 GLU 205 H 0.00 0.13 0.09 -0.55 8.60 8.28 2gvhC1 GLU 205 HA -0.04 0.33 1.01 -0.75 4.29 4.83 2gvhC1 GLU 205 HB2 0.00 -0.01 0.03 -0.04 2.09 2.07 2gvhC1 GLU 205 HB3 -0.01 -0.10 0.01 -0.04 1.99 1.85 2gvhC1 GLU 205 HG2 -0.03 0.06 -0.05 -0.04 2.34 2.29 2gvhC1 GLU 205 HG3 -0.03 -0.01 -0.34 -0.04 2.34 1.92 2gvhC1 ILE 206 H -0.04 0.38 0.24 -0.55 8.25 8.28 2gvhC1 ILE 206 HA -0.04 0.09 0.18 -0.75 4.18 3.65 2gvhC1 ILE 206 HB -0.04 0.04 0.08 -0.04 1.89 1.93 2gvhC1 ILE 206 HG12 -0.01 -0.04 -0.05 -0.04 1.49 1.35 2gvhC1 ILE 206 HG13 -0.01 0.02 -0.15 -0.04 1.21 1.03 2gvhC1 ILE 206 HG23 -0.02 -0.00 0.07 -0.04 0.93 0.93 2gvhC1 ILE 206 HD13 -0.01 0.02 -0.27 -0.04 0.88 0.58 2gvhC1 GLY 207 H -0.01 0.02 -0.17 -0.55 8.43 7.72 2gvhC1 GLY 207 HA2 -0.00 0.16 0.52 -0.51 4.01 4.17 2gvhC1 GLY 207 HA3 0.00 -0.07 0.36 -0.51 4.01 3.80 2gvhC1 GLU 208 H -0.03 0.46 -0.45 -0.55 8.60 8.03 2gvhC1 GLU 208 HA -0.01 0.11 1.10 -0.75 4.29 4.74 2gvhC1 GLU 208 HB2 -0.01 0.17 0.01 -0.04 2.09 2.22 2gvhC1 GLU 208 HB3 0.01 0.04 0.03 -0.04 1.99 2.02 2gvhC1 GLU 208 HG2 0.02 -0.02 -0.22 -0.04 2.34 2.07 2gvhC1 GLU 208 HG3 0.01 -0.15 -0.38 -0.04 2.34 1.77 2gvhC1 ILE 209 H -0.01 0.50 0.35 -0.55 8.25 8.53 2gvhC1 ILE 209 HA -0.09 0.13 1.08 -0.75 4.18 4.55 2gvhC1 ILE 209 HB -0.05 0.15 0.05 -0.04 1.89 1.99 2gvhC1 ILE 209 HG12 -0.02 0.01 0.01 -0.04 1.49 1.45 2gvhC1 ILE 209 HG13 -0.00 -0.13 0.02 -0.04 1.21 1.05 2gvhC1 ILE 209 HG23 -0.03 -0.03 -0.10 -0.04 0.93 0.72 2gvhC1 ILE 209 HD13 -0.02 0.02 -0.14 -0.04 0.88 0.71 2gvhC1 VAL 210 H -0.16 0.53 0.30 -0.55 8.24 8.37 2gvhC1 VAL 210 HA 0.03 0.29 1.09 -0.75 4.13 4.79 2gvhC1 VAL 210 HB -0.04 -0.01 0.04 -0.04 2.12 2.07 2gvhC1 VAL 210 HG13 -0.04 -0.02 -0.07 -0.04 0.97 0.81 2gvhC1 VAL 210 HG23 -0.65 0.02 0.00 -0.04 0.95 0.28 2gvhC1 GLU 211 H 0.21 0.53 0.31 -0.55 8.60 9.11 2gvhC1 GLU 211 HA 0.19 0.23 0.94 -0.75 4.29 4.90 2gvhC1 GLU 211 HB2 0.10 0.03 -0.14 -0.04 2.09 2.04 2gvhC1 GLU 211 HB3 0.32 -0.12 0.09 -0.04 1.99 2.24 2gvhC1 GLU 211 HG2 0.25 -0.01 -0.26 -0.04 2.34 2.28 2gvhC1 GLU 211 HG3 0.12 0.12 0.00 -0.04 2.34 2.55 2gvhC1 ALA 212 H 0.40 0.24 0.20 -0.55 8.40 8.70 2gvhC1 ALA 212 HA 0.27 0.36 1.22 -0.75 4.34 5.43 2gvhC1 ALA 212 HB3 0.17 -0.02 0.03 -0.04 1.41 1.55 2gvhC1 GLN 213 H 0.18 0.47 0.38 -0.55 8.47 8.96 2gvhC1 GLN 213 HA 0.19 0.55 1.16 -0.75 4.36 5.50 2gvhC1 GLN 213 HB2 0.44 -0.09 0.19 -0.04 2.15 2.65 2gvhC1 GLN 213 HB3 0.27 -0.01 -0.03 -0.04 2.02 2.21 2gvhC1 GLN 213 HG2 0.23 0.14 -0.02 -0.04 2.40 2.71 2gvhC1 GLN 213 HG3 0.59 -0.05 -0.19 -0.04 2.39 2.70 2gvhC1 GLN 213 HE21 0.10 -0.03 -0.07 -0.04 6.97 6.93 2gvhC1 GLN 213 HE22 -0.18 -0.01 -0.09 -0.04 7.69 7.37 2gvhC1 ALA 214 H 0.11 0.61 0.29 -0.55 8.40 8.86 2gvhC1 ALA 214 HA 0.04 0.40 1.17 -0.75 4.34 5.20 2gvhC1 ALA 214 HB3 0.01 -0.03 -0.15 -0.04 1.41 1.20 2gvhC1 HIS 215 H -0.14 0.51 0.36 -0.55 8.41 8.60 2gvhC1 HIS 215 HA 0.02 0.12 0.56 -0.75 4.63 4.58 2gvhC1 HIS 215 HB2 0.03 0.07 0.15 -0.04 3.26 3.47 2gvhC1 HIS 215 HB3 0.04 0.03 -0.14 -0.04 3.20 3.09 2gvhC1 HIS 215 HD2 0.03 0.01 -0.12 -0.04 6.97 6.85 2gvhC1 HIS 215 HE1 0.02 -0.02 -0.10 -0.04 7.75 7.60 2gvhC1 VAL 216 H 0.06 0.19 0.15 -0.55 8.24 8.09 2gvhC1 VAL 216 HA -0.16 0.19 0.70 -0.75 4.13 4.10 2gvhC1 VAL 216 HB -0.21 -0.02 0.13 -0.04 2.12 1.98 2gvhC1 VAL 216 HG13 -0.45 0.04 -0.21 -0.04 0.97 0.31 2gvhC1 VAL 216 HG23 -0.25 0.00 -0.08 -0.04 0.95 0.58 2gvhC1 GLU 217 H -0.13 0.62 0.39 -0.55 8.60 8.93 2gvhC1 GLU 217 HA 0.05 0.10 0.74 -0.75 4.29 4.42 2gvhC1 GLU 217 HB2 -0.04 0.03 0.05 -0.04 2.09 2.09 2gvhC1 GLU 217 HB3 -0.00 -0.05 -0.08 -0.04 1.99 1.82 2gvhC1 GLU 217 HG2 0.07 -0.01 0.00 -0.04 2.34 2.36 2gvhC1 GLU 217 HG3 -0.18 0.00 -0.03 -0.04 2.34 2.09 2gvhC1 ARG 218 H -0.07 0.36 0.29 -0.55 8.46 8.49 2gvhC1 ARG 218 HA -0.04 0.16 0.70 -0.75 4.34 4.40 2gvhC1 ARG 218 HB2 -0.02 -0.05 0.07 -0.04 1.90 1.86 2gvhC1 ARG 218 HB3 -0.02 0.05 -0.09 -0.04 1.80 1.71 2gvhC1 VAL 219 H -0.03 0.18 0.14 -0.55 8.24 7.97 2gvhC1 VAL 219 HA -0.06 0.26 1.18 -0.75 4.13 4.75 2gvhC1 VAL 219 HB 0.01 -0.08 0.15 -0.04 2.12 2.16 2gvhC1 VAL 219 HG13 0.07 0.08 -0.06 -0.04 0.97 1.02 2gvhC1 VAL 219 HG23 -0.18 0.00 -0.19 -0.04 0.95 0.54 2gvhC1 GLY 220 H -0.01 0.37 0.11 -0.55 8.43 8.35 2gvhC1 GLY 220 HA2 0.00 0.11 0.67 -0.51 4.01 4.28 2gvhC1 GLY 220 HA3 0.00 -0.15 0.38 -0.51 4.01 3.73 2gvhC1 ARG 221 H 0.01 0.04 0.17 -0.55 8.46 8.13 2gvhC1 ARG 221 HA 0.02 0.20 0.70 -0.75 4.34 4.51 2gvhC1 SER 222 H 0.01 -0.07 0.12 -0.55 8.46 7.97 2gvhC1 SER 222 HA 0.02 0.43 1.03 -0.75 4.49 5.21 2gvhC1 SER 223 H 0.01 -0.14 -0.07 -0.55 8.46 7.71 2gvhC1 SER 223 HA 0.01 0.30 0.67 -0.75 4.49 4.71 2gvhC1 SER 223 HB2 0.01 0.11 0.09 -0.04 3.95 4.12 2gvhC1 SER 223 HB3 0.01 -0.06 0.00 -0.04 3.93 3.84 2gvhC1 SER 225 HA 0.00 0.04 0.45 -0.75 4.49 4.23 2gvhC1 SER 225 HB2 -0.02 -0.05 0.05 -0.04 3.95 3.89 2gvhC1 SER 225 HB3 -0.03 -0.15 0.11 -0.04 3.93 3.83 2gvhC1 ILE 226 H 0.05 0.68 0.38 -0.55 8.25 8.81 2gvhC1 ILE 226 HA -0.12 0.24 1.24 -0.75 4.18 4.79 2gvhC1 ILE 226 HB 0.08 -0.07 0.15 -0.04 1.89 2.01 2gvhC1 ILE 226 HG12 -0.04 0.00 -0.07 -0.04 1.49 1.34 2gvhC1 ILE 226 HG13 -0.08 0.11 -0.19 -0.04 1.21 1.01 2gvhC1 ILE 226 HG23 -0.03 -0.00 -0.19 -0.04 0.93 0.67 2gvhC1 ILE 226 HD13 -0.02 -0.03 -0.17 -0.04 0.88 0.62 2gvhC1 GLN 227 H -0.31 0.43 0.33 -0.55 8.47 8.37 2gvhC1 GLN 227 HA -0.38 0.25 1.15 -0.75 4.36 4.62 2gvhC1 GLN 227 HB2 -0.13 -0.05 0.10 -0.04 2.15 2.03 2gvhC1 GLN 227 HB3 -0.40 0.02 0.18 -0.04 2.02 1.78 2gvhC1 GLN 227 HG2 -0.10 -0.01 -0.33 -0.04 2.40 1.92 2gvhC1 GLN 227 HG3 -0.40 0.08 0.02 -0.04 2.39 2.04 2gvhC1 GLN 227 HE21 0.15 -0.03 -0.05 -0.04 6.97 7.00 2gvhC1 GLN 227 HE22 0.18 0.02 -0.10 -0.04 7.69 7.75 2gvhC1 THR 228 H -0.16 0.60 0.38 -0.55 8.28 8.55 2gvhC1 THR 228 HA -0.00 0.45 1.13 -0.75 4.39 5.22 2gvhC1 THR 228 HB 0.21 -0.09 -0.00 -0.04 4.32 4.40 2gvhC1 THR 228 HG23 0.03 0.01 -0.26 -0.04 1.22 0.96 2gvhC1 LYS 229 H -0.02 0.68 0.39 -0.55 8.42 8.92 2gvhC1 LYS 229 HA -0.26 0.18 1.16 -0.75 4.32 4.65 2gvhC1 LYS 229 HB2 -0.27 0.02 0.21 -0.04 1.87 1.79 2gvhC1 LYS 229 HB3 -0.94 -0.01 0.07 -0.04 1.79 0.87 2gvhC1 LYS 229 HG2 -0.19 0.01 -0.01 -0.04 1.46 1.22 2gvhC1 LYS 229 HG3 -0.06 0.04 -0.09 -0.04 1.46 1.32 2gvhC1 LYS 229 HD2 -0.18 0.01 -0.02 -0.04 1.69 1.46 2gvhC1 LYS 229 HD3 -0.24 -0.03 0.00 -0.04 1.68 1.37 2gvhC1 LYS 229 HE2 -0.01 -0.03 -0.04 -0.04 2.99 2.88 2gvhC1 LYS 229 HE3 0.06 0.03 -0.06 -0.04 2.99 2.98 2gvhC1 LEU 230 H -0.30 0.74 0.46 -0.55 8.37 8.72 2gvhC1 LEU 230 HA 0.07 0.36 1.21 -0.75 4.35 5.24 2gvhC1 LEU 230 HB2 0.05 0.02 -0.07 -0.04 1.64 1.60 2gvhC1 LEU 230 HB3 -0.01 -0.16 0.16 -0.04 1.64 1.59 2gvhC1 LEU 230 HG 0.13 0.04 -0.10 -0.04 1.64 1.66 2gvhC1 LEU 230 HD13 0.26 0.05 -0.08 -0.04 0.93 1.12 2gvhC1 LEU 230 HD23 0.19 0.01 -0.06 -0.04 0.89 0.99 2gvhC1 TRP 231 H 0.36 0.68 0.45 -0.55 7.97 8.91 2gvhC1 TRP 231 HA 0.07 0.14 1.19 -0.75 4.62 5.26 2gvhC1 TRP 231 HB2 0.04 0.04 0.10 -0.04 3.23 3.37 2gvhC1 TRP 231 HB3 0.03 0.10 -0.01 -0.04 3.23 3.31 2gvhC1 TRP 231 HD1 0.04 -0.06 -0.60 -0.04 7.22 6.56 2gvhC1 TRP 231 HE1 0.03 -0.05 -0.08 -0.04 10.20 10.06 2gvhC1 TRP 231 HE3 0.06 0.19 -0.12 -0.04 7.59 7.68 2gvhC1 TRP 231 HZ2 0.02 -0.03 -0.06 -0.04 7.44 7.34 2gvhC1 TRP 231 HZ3 0.05 0.03 -0.11 -0.04 7.13 7.06 2gvhC1 TRP 231 HH2 0.03 0.01 -0.06 -0.04 7.19 7.13 2gvhC1 SER 232 H 0.28 0.48 0.36 -0.55 8.46 9.04 2gvhC1 SER 232 HA 0.12 0.39 1.14 -0.75 4.49 5.38 2gvhC1 SER 232 HB2 0.09 -0.03 0.04 -0.04 3.95 4.00 2gvhC1 SER 232 HB3 0.10 -0.04 -0.01 -0.04 3.93 3.94 2gvhC1 GLU 233 H 0.04 0.49 0.26 -0.55 8.60 8.84 2gvhC1 GLU 233 HA 0.00 0.33 0.74 -0.75 4.29 4.60 2gvhC1 GLU 233 HB2 -0.01 0.02 -0.22 -0.04 2.09 1.83 2gvhC1 GLU 233 HB3 -0.00 -0.04 -0.05 -0.04 1.99 1.86 2gvhC1 GLU 233 HG2 -0.03 0.02 -0.48 -0.04 2.34 1.81 2gvhC1 GLU 233 HG3 -0.05 0.06 -0.29 -0.04 2.34 2.02 2gvhC1 ASN 234 H -0.01 0.55 0.11 -0.55 8.53 8.63 2gvhC1 ASN 234 HA 0.01 0.13 0.74 -0.75 4.76 4.88 2gvhC1 ASN 234 HB2 0.02 0.10 0.13 -0.04 2.88 3.08 2gvhC1 ASN 234 HB3 -0.00 -0.24 0.20 -0.04 2.79 2.71 2gvhC1 ASN 234 HD21 0.01 0.01 0.01 -0.04 7.03 7.01 2gvhC1 ASN 234 HD22 0.02 0.02 -0.01 -0.04 7.74 7.73 2gvhC1 LEU 235 H 0.00 0.40 0.33 -0.55 8.37 8.55 2gvhC1 LEU 235 HA -0.02 0.13 0.08 -0.75 4.35 3.78 2gvhC1 LEU 235 HB2 0.02 0.05 0.15 -0.04 1.64 1.81 2gvhC1 LEU 235 HB3 -0.01 0.05 -0.09 -0.04 1.64 1.54 2gvhC1 LEU 235 HG 0.00 -0.04 -0.04 -0.04 1.64 1.52 2gvhC1 LEU 235 HD13 0.06 -0.00 -0.09 -0.04 0.93 0.86 2gvhC1 LEU 235 HD23 -0.04 0.01 -0.09 -0.04 0.89 0.72 2gvhC1 LEU 236 H 0.00 -0.03 -0.09 -0.55 8.37 7.70 2gvhC1 LEU 236 HA -0.00 0.24 0.40 -0.75 4.35 4.24 2gvhC1 LEU 236 HB2 -0.00 -0.12 0.03 -0.04 1.64 1.52 2gvhC1 LEU 236 HB3 -0.01 0.11 -0.05 -0.04 1.64 1.66 2gvhC1 LEU 236 HG 0.01 -0.08 -0.05 -0.04 1.64 1.48 2gvhC1 LEU 236 HD13 -0.00 -0.01 -0.02 -0.04 0.93 0.85 2gvhC1 LEU 236 HD23 -0.01 0.04 -0.30 -0.04 0.89 0.58 2gvhC1 THR 237 H -0.00 -0.13 -0.17 -0.55 8.28 7.43 2gvhC1 THR 237 HA -0.01 0.27 0.64 -0.75 4.39 4.53 2gvhC1 THR 237 HB -0.01 0.04 0.06 -0.04 4.32 4.38 2gvhC1 THR 237 HG23 0.00 -0.01 -0.02 -0.04 1.22 1.15 2gvhC1 GLY 238 H -0.02 0.41 -0.05 -0.55 8.43 8.23 2gvhC1 GLY 238 HA2 -0.04 0.12 0.25 -0.51 4.01 3.83 2gvhC1 GLY 238 HA3 -0.04 0.21 0.67 -0.51 4.01 4.34 2gvhC1 GLU 239 H -0.03 -0.06 -0.15 -0.55 8.60 7.81 2gvhC1 GLU 239 HA -0.10 0.10 0.47 -0.75 4.29 4.01 2gvhC1 GLU 239 HB2 -0.03 0.01 0.06 -0.04 2.09 2.09 2gvhC1 GLU 239 HB3 -0.03 -0.11 0.10 -0.04 1.99 1.91 2gvhC1 GLU 239 HG2 -0.33 0.11 -0.15 -0.04 2.34 1.92 2gvhC1 GLU 239 HG3 -0.07 0.03 0.02 -0.04 2.34 2.27 2gvhC1 ARG 240 H -0.18 0.17 0.28 -0.55 8.46 8.18 2gvhC1 ARG 240 HA -0.06 0.37 1.15 -0.75 4.34 5.05 2gvhC1 ARG 240 HB2 -0.08 -0.08 -0.03 -0.04 1.90 1.67 2gvhC1 ARG 240 HB3 -0.05 0.04 0.09 -0.04 1.80 1.84 2gvhC1 ARG 240 HG2 -0.09 0.03 -0.12 -0.04 1.67 1.44 2gvhC1 ARG 240 HG3 -0.11 0.07 0.10 -0.04 1.67 1.69 2gvhC1 ARG 240 HD2 -0.16 0.03 -0.01 -0.04 3.22 3.04 2gvhC1 ARG 240 HD3 -0.23 -0.08 -0.03 -0.04 3.22 2.84 2gvhC1 HIS 241 H 0.20 0.50 0.32 -0.55 8.41 8.89 2gvhC1 HIS 241 HA 0.17 0.07 0.65 -0.75 4.63 4.77 2gvhC1 HIS 241 HB2 0.10 -0.07 -0.04 -0.04 3.26 3.21 2gvhC1 HIS 241 HB3 0.09 0.12 -0.01 -0.04 3.20 3.36 2gvhC1 HIS 241 HD2 0.06 -0.03 0.10 -0.04 6.97 7.06 2gvhC1 HIS 241 HE1 0.03 -0.05 -0.12 -0.04 7.75 7.57 2gvhC1 ILE 242 H 0.27 0.12 0.15 -0.55 8.25 8.24 2gvhC1 ILE 242 HA -0.43 0.16 0.82 -0.75 4.18 3.97 2gvhC1 ILE 242 HB -0.06 0.03 0.11 -0.04 1.89 1.93 2gvhC1 ILE 242 HG12 -0.20 -0.02 -0.06 -0.04 1.49 1.17 2gvhC1 ILE 242 HG13 -0.26 -0.03 -0.18 -0.04 1.21 0.70 2gvhC1 ILE 242 HG23 0.06 -0.01 0.06 -0.04 0.93 1.00 2gvhC1 ILE 242 HD13 -0.92 0.05 0.02 -0.04 0.88 0.00 2gvhC1 THR 243 H -0.22 0.70 0.49 -0.55 8.28 8.71 2gvhC1 THR 243 HA 0.04 0.09 0.93 -0.75 4.39 4.69 2gvhC1 THR 243 HB 0.05 0.09 -0.05 -0.04 4.32 4.37 2gvhC1 THR 243 HG23 0.23 0.01 -0.13 -0.04 1.22 1.29 2gvhC1 ALA 244 H -0.18 0.35 0.41 -0.55 8.40 8.43 2gvhC1 ALA 244 HA -0.21 0.20 0.72 -0.75 4.34 4.30 2gvhC1 ALA 244 HB3 -0.38 0.02 -0.08 -0.04 1.41 0.93 2gvhC1 THR 245 H -0.20 0.27 0.29 -0.55 8.28 8.09 2gvhC1 THR 245 HA -0.20 0.31 1.07 -0.75 4.39 4.82 2gvhC1 THR 245 HB -0.11 -0.05 0.16 -0.04 4.32 4.28 2gvhC1 THR 245 HG23 -0.18 0.02 -0.02 -0.04 1.22 1.00 2gvhC1 GLY 246 H -0.21 0.76 0.42 -0.55 8.43 8.85 2gvhC1 GLY 246 HA2 -0.25 0.21 0.97 -0.51 4.01 4.43 2gvhC1 GLY 246 HA3 -0.33 0.02 0.31 -0.51 4.01 3.50 2gvhC1 HIS 247 H -0.36 0.20 0.19 -0.55 8.41 7.89 2gvhC1 HIS 247 HA -0.17 0.42 1.09 -0.75 4.63 5.22 2gvhC1 HIS 247 HB2 -0.18 -0.10 0.17 -0.04 3.26 3.10 2gvhC1 HIS 247 HB3 -0.12 0.03 0.01 -0.04 3.20 3.08 2gvhC1 HIS 247 HD2 -0.15 0.02 -0.20 -0.04 6.97 6.60 2gvhC1 HIS 247 HE1 -0.05 0.00 -0.04 -0.04 7.75 7.62 2gvhC1 PHE 248 H 0.14 0.66 0.35 -0.55 8.34 8.93 2gvhC1 PHE 248 HA 0.01 0.19 1.13 -0.75 4.62 5.20 2gvhC1 PHE 248 HB2 -0.01 0.00 0.12 -0.04 3.15 3.22 2gvhC1 PHE 248 HB3 0.01 0.06 0.10 -0.04 3.06 3.19 2gvhC1 PHE 248 HD2 -0.03 0.05 -0.04 -0.04 7.28 7.22 2gvhC1 PHE 248 HE2 -0.03 -0.01 -0.08 -0.04 7.38 7.21 2gvhC1 PHE 248 HZ -0.02 0.06 -0.05 -0.04 7.32 7.28 2gvhC1 THR 249 H 0.10 0.79 0.38 -0.55 8.28 9.00 2gvhC1 THR 249 HA 0.05 0.25 0.86 -0.75 4.39 4.79 2gvhC1 THR 249 HB 0.04 -0.09 0.20 -0.04 4.32 4.42 2gvhC1 THR 249 HG23 0.02 0.03 0.08 -0.04 1.22 1.31 2gvhC1 VAL 251 HA 0.01 -0.10 0.36 -0.75 4.13 3.64 2gvhC1 VAL 251 HB 0.03 0.00 0.02 -0.04 2.12 2.12 2gvhC1 VAL 251 HG13 0.02 0.04 -0.12 -0.04 0.97 0.87 2gvhC1 VAL 251 HG23 0.02 -0.05 -0.12 -0.04 0.95 0.76 2gvhC1 ALA 252 H 0.01 0.48 0.29 -0.55 8.40 8.63 2gvhC1 ALA 252 HA -0.00 0.20 0.71 -0.75 4.34 4.49 2gvhC1 ALA 252 HB3 0.01 0.02 -0.01 -0.04 1.41 1.39 2gvhC1 VAL 253 H 0.01 0.57 0.24 -0.55 8.24 8.52 2gvhC1 VAL 253 HA 0.02 0.17 0.70 -0.75 4.13 4.27 2gvhC1 VAL 253 HB 0.05 -0.01 -0.20 -0.04 2.12 1.92 2gvhC1 VAL 253 HG13 0.04 -0.00 -0.18 -0.04 0.97 0.79 2gvhC1 VAL 253 HG23 0.04 -0.01 -0.43 -0.04 0.95 0.51 2gvhC1 ASP 254 H 0.02 1.01 0.18 -0.55 8.40 9.06 2gvhC1 ASP 254 HA 0.02 0.10 0.56 -0.75 4.63 4.55 2gvhC1 ARG 258 HA 0.02 -0.02 0.27 -0.75 4.34 3.85 2gvhC1 PRO 259 HA 0.02 0.36 0.48 -0.51 4.44 4.79 2gvhC1 ALA 260 H 0.01 0.55 0.18 -0.55 8.40 8.59 2gvhC1 ALA 260 HA 0.01 0.11 0.78 -0.75 4.34 4.49 2gvhC1 ALA 260 HB3 0.01 0.00 -0.22 -0.04 1.41 1.16 2gvhC1 THR 261 H 0.01 0.09 0.10 -0.55 8.28 7.93 2gvhC1 THR 261 HA 0.01 0.17 0.68 -0.75 4.39 4.50 2gvhC1 ILE 262 H 0.03 0.53 0.24 -0.55 8.25 8.49 2gvhC1 ILE 262 HA 0.03 0.09 0.05 -0.75 4.18 3.61