============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 27 1.000 3.649 15.734 53.856 -99.200 -91.000 PHE 29 1.000 9.272 17.421 53.462 -99.200 -91.000 TYR 32 0.840 5.039 12.035 58.308 -99.200 -91.000 TRP 36 1.040 14.512 12.548 46.425 -99.200 -91.000 TRP6 36 1.020 13.105 13.715 44.920 -99.200 -91.000 PHE 37 1.000 10.897 4.830 47.350 -99.200 -91.000 TRP 47 1.040 15.634 3.994 49.335 -99.200 -91.000 TRP6 47 1.020 17.898 3.681 49.956 -99.200 -91.000 TYR 52 0.840 13.326 10.514 61.680 -99.200 -91.000 PHE 55 1.000 17.971 12.722 63.483 -99.200 -91.000 HIS 58 0.900 20.661 4.867 56.201 -99.200 -91.000 TYR 59 0.840 23.025 9.872 49.835 -99.200 -91.000 PHE 67 1.000 21.816 10.290 41.449 -99.200 -91.000 TYR 73 0.840 13.685 18.089 57.897 -99.200 -91.000 TYR 79 0.840 15.598 21.663 47.855 -99.200 -91.000 TYR 93 0.840 15.478 9.710 39.151 -99.200 -91.000 TYR 94 0.840 7.512 7.359 40.437 -99.200 -91.000 TYR 101 0.840 7.707 5.806 65.291 -99.200 -91.000 TYR 104 0.840 2.908 2.870 56.451 -99.200 -91.000 PHE 105 1.000 9.299 5.002 51.881 -99.200 -91.000 TRP 108 1.040 4.412 6.308 46.888 -99.200 -91.000 TRP6 108 1.020 6.406 5.330 46.062 -99.200 -91.000 TYR 127 0.840 11.913 6.659 6.662 -99.200 -91.000 TYR 150 0.840 10.772 9.662 18.305 -99.200 -91.000 PHE 151 1.000 17.267 12.768 23.062 -99.200 -91.000 TRP 159 1.040 -2.680 5.357 11.910 -99.200 -91.000 TRP6 159 1.020 -1.431 5.083 9.915 -99.200 -91.000 HIS 169 0.900 -3.421 -3.144 17.553 -99.200 -91.000 PHE 171 1.000 2.822 -2.285 17.520 -99.200 -91.000 TYR 180 0.840 13.829 7.898 22.826 -99.200 -91.000 TRP 193 1.040 -4.741 2.827 0.957 -99.200 -91.000 TRP6 193 1.020 -3.364 1.160 0.007 -99.200 -91.000 HIS 204 0.900 10.503 15.451 18.113 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1jgvH1 GLU 1 HA 0.02 -0.07 0.17 -0.75 4.29 3.66 1jgvH1 GLU 1 HB2 0.03 -0.03 -0.11 -0.04 2.09 1.93 1jgvH1 GLU 1 HB3 0.03 0.04 -0.04 -0.04 1.99 1.98 1jgvH1 GLU 1 HG2 0.02 -0.01 0.03 -0.04 2.34 2.34 1jgvH1 GLU 1 HG3 0.02 -0.02 0.02 -0.04 2.34 2.31 1jgvH1 VAL 2 H 0.02 0.13 0.12 -0.55 8.24 7.96 1jgvH1 VAL 2 HA 0.11 0.31 0.94 -0.75 4.13 4.74 1jgvH1 VAL 2 HB -0.04 -0.06 0.13 -0.04 2.12 2.12 1jgvH1 VAL 2 HG13 -0.17 -0.03 -0.17 -0.04 0.97 0.56 1jgvH1 VAL 2 HG23 0.03 0.02 -0.04 -0.04 0.95 0.91 1jgvH1 LYS 3 H 0.19 0.63 0.32 -0.55 8.42 9.00 1jgvH1 LYS 3 HA 0.06 0.08 0.49 -0.75 4.32 4.20 1jgvH1 LYS 3 HB2 0.07 -0.06 0.03 -0.04 1.87 1.88 1jgvH1 LYS 3 HB3 0.05 0.13 -0.24 -0.04 1.79 1.68 1jgvH1 LYS 3 HG2 0.07 0.09 -0.25 -0.04 1.46 1.33 1jgvH1 LYS 3 HG3 0.07 -0.05 -0.30 -0.04 1.46 1.15 1jgvH1 LYS 3 HD2 0.04 -0.02 -0.13 -0.04 1.69 1.55 1jgvH1 LYS 3 HD3 0.04 0.02 -0.19 -0.04 1.68 1.51 1jgvH1 LYS 3 HE2 0.03 0.08 -0.13 -0.04 2.99 2.93 1jgvH1 LYS 3 HE3 0.03 -0.04 -0.11 -0.04 2.99 2.83 1jgvH1 LEU 4 H 0.09 0.28 0.03 -0.55 8.37 8.22 1jgvH1 LEU 4 HA 0.13 0.30 0.84 -0.75 4.35 4.87 1jgvH1 LEU 4 HB2 0.07 -0.00 -0.14 -0.04 1.64 1.52 1jgvH1 LEU 4 HB3 0.04 -0.02 -0.19 -0.04 1.64 1.43 1jgvH1 LEU 4 HG 0.17 -0.03 -0.49 -0.04 1.64 1.25 1jgvH1 LEU 4 HD13 -0.09 -0.02 -0.41 -0.04 0.93 0.38 1jgvH1 LEU 4 HD23 0.25 0.02 -0.28 -0.04 0.89 0.84 1jgvH1 VAL 5 H 0.05 0.72 0.21 -0.55 8.24 8.67 1jgvH1 VAL 5 HA 0.05 0.07 0.71 -0.75 4.13 4.21 1jgvH1 VAL 5 HB 0.02 -0.08 0.22 -0.04 2.12 2.24 1jgvH1 VAL 5 HG13 0.03 0.03 -0.06 -0.04 0.97 0.92 1jgvH1 VAL 5 HG23 0.03 0.03 -0.05 -0.04 0.95 0.91 1jgvH1 GLU 6 H 0.07 0.13 0.27 -0.55 8.60 8.53 1jgvH1 GLU 6 HA 0.11 0.12 0.83 -0.75 4.29 4.59 1jgvH1 GLU 6 HB2 0.17 0.04 0.12 -0.04 2.09 2.38 1jgvH1 GLU 6 HB3 0.13 -0.11 0.15 -0.04 1.99 2.11 1jgvH1 GLU 6 HG2 0.08 0.14 -0.21 -0.04 2.34 2.31 1jgvH1 GLU 6 HG3 0.11 0.23 -0.12 -0.04 2.34 2.52 1jgvH1 SER 7 H 0.14 0.42 0.38 -0.55 8.46 8.85 1jgvH1 SER 7 HA 0.05 0.06 0.59 -0.75 4.49 4.44 1jgvH1 SER 7 HB2 0.04 -0.00 0.20 -0.04 3.95 4.14 1jgvH1 SER 7 HB3 0.07 -0.02 0.14 -0.04 3.93 4.08 1jgvH1 ARG 8 H 0.02 0.07 0.20 -0.55 8.46 8.20 1jgvH1 ARG 8 HA 0.02 0.05 0.59 -0.75 4.34 4.25 1jgvH1 ARG 8 HB2 0.01 -0.03 0.14 -0.04 1.90 1.99 1jgvH1 ARG 8 HB3 0.00 0.01 0.16 -0.04 1.80 1.94 1jgvH1 ARG 8 HG2 -0.00 0.19 -0.08 -0.04 1.67 1.73 1jgvH1 ARG 8 HG3 0.00 -0.09 0.10 -0.04 1.67 1.64 1jgvH1 ARG 8 HD2 -0.01 -0.01 0.00 -0.04 3.22 3.17 1jgvH1 ARG 8 HD3 0.00 -0.02 0.03 -0.04 3.22 3.19 1jgvH1 GLY 9 H 0.01 0.01 0.16 -0.55 8.43 8.06 1jgvH1 GLY 9 HA2 -0.04 0.09 0.47 -0.51 4.01 4.02 1jgvH1 GLY 9 HA3 -0.01 0.20 0.42 -0.51 4.01 4.11 1jgvH1 GLY 10 H -0.02 0.49 0.38 -0.55 8.43 8.74 1jgvH1 GLY 10 HA2 -0.01 0.02 0.39 -0.51 4.01 3.90 1jgvH1 GLY 10 HA3 -0.03 0.12 0.43 -0.51 4.01 4.02 1jgvH1 LEU 11 H 0.01 0.21 0.21 -0.55 8.37 8.26 1jgvH1 LEU 11 HA 0.06 0.20 0.93 -0.75 4.35 4.79 1jgvH1 LEU 11 HB2 0.04 -0.05 0.06 -0.04 1.64 1.66 1jgvH1 LEU 11 HB3 0.07 0.00 0.12 -0.04 1.64 1.79 1jgvH1 LEU 11 HG 0.19 -0.06 -0.01 -0.04 1.64 1.71 1jgvH1 LEU 11 HD13 0.33 0.00 -0.07 -0.04 0.93 1.15 1jgvH1 LEU 11 HD23 0.22 0.01 -0.13 -0.04 0.89 0.95 1jgvH1 VAL 12 H 0.06 0.72 0.40 -0.55 8.24 8.87 1jgvH1 VAL 12 HA 0.01 0.14 0.89 -0.75 4.13 4.42 1jgvH1 VAL 12 HB -0.01 -0.05 -0.18 -0.04 2.12 1.84 1jgvH1 VAL 12 HG13 -0.02 0.08 -0.14 -0.04 0.97 0.84 1jgvH1 VAL 12 HG23 -0.04 0.01 -0.47 -0.04 0.95 0.41 1jgvH1 LYS 13 H 0.00 0.10 0.14 -0.55 8.42 8.11 1jgvH1 LYS 13 HA 0.00 0.33 0.49 -0.75 4.32 4.38 1jgvH1 LYS 13 HB2 -0.00 -0.05 0.14 -0.04 1.87 1.92 1jgvH1 LYS 13 HB3 -0.01 0.06 -0.04 -0.04 1.79 1.76 1jgvH1 LYS 13 HG2 -0.03 -0.06 0.04 -0.04 1.46 1.38 1jgvH1 LYS 13 HG3 -0.03 0.16 0.15 -0.04 1.46 1.70 1jgvH1 LYS 13 HD2 -0.01 -0.02 0.03 -0.04 1.69 1.64 1jgvH1 LYS 13 HD3 -0.02 -0.02 0.02 -0.04 1.68 1.62 1jgvH1 LYS 13 HE2 -0.04 -0.07 0.07 -0.04 2.99 2.91 1jgvH1 LYS 13 HE3 -0.04 0.17 0.07 -0.04 2.99 3.15 1jgvH1 PRO 14 HA 0.01 0.17 0.30 -0.51 4.44 4.40 1jgvH1 PRO 14 HB2 -0.01 0.02 0.01 -0.04 2.28 2.27 1jgvH1 PRO 14 HB3 -0.00 -0.00 0.07 -0.04 2.02 2.05 1jgvH1 PRO 14 HG2 -0.02 0.00 0.00 -0.04 2.03 1.98 1jgvH1 PRO 14 HG3 -0.00 0.03 -0.13 -0.04 2.03 1.89 1jgvH1 PRO 14 HD2 -0.02 0.11 0.05 -0.04 3.68 3.78 1jgvH1 PRO 14 HD3 -0.01 0.07 -0.26 -0.04 3.65 3.41 1jgvH1 GLY 15 H 0.01 0.82 0.17 -0.55 8.43 8.88 1jgvH1 GLY 15 HA2 -0.00 -0.04 0.34 -0.51 4.01 3.80 1jgvH1 GLY 15 HA3 -0.01 0.09 0.58 -0.51 4.01 4.16 1jgvH1 GLY 16 H -0.01 0.45 -0.55 -0.55 8.43 7.78 1jgvH1 GLY 16 HA2 -0.02 0.05 0.42 -0.51 4.01 3.94 1jgvH1 GLY 16 HA3 -0.02 0.06 0.30 -0.51 4.01 3.84 1jgvH1 SER 17 H -0.05 0.21 0.22 -0.55 8.46 8.30 1jgvH1 SER 17 HA -0.10 0.29 0.96 -0.75 4.49 4.89 1jgvH1 SER 17 HB2 -0.06 -0.05 0.00 -0.04 3.95 3.80 1jgvH1 SER 17 HB3 -0.06 -0.06 0.05 -0.04 3.93 3.82 1jgvH1 LEU 18 H -0.18 0.76 0.36 -0.55 8.37 8.76 1jgvH1 LEU 18 HA -0.11 0.07 0.57 -0.75 4.35 4.12 1jgvH1 LEU 18 HB2 -0.11 0.10 -0.20 -0.04 1.64 1.40 1jgvH1 LEU 18 HB3 -0.20 -0.04 -0.15 -0.04 1.64 1.20 1jgvH1 LEU 18 HG -0.19 0.01 -0.36 -0.04 1.64 1.06 1jgvH1 LEU 18 HD13 -0.08 -0.00 0.03 -0.04 0.93 0.84 1jgvH1 LEU 18 HD23 -0.13 -0.01 -0.25 -0.04 0.89 0.45 1jgvH1 GLN 19 H -0.12 0.23 0.16 -0.55 8.47 8.20 1jgvH1 GLN 19 HA -0.22 0.29 1.21 -0.75 4.36 4.88 1jgvH1 GLN 19 HB2 -0.10 -0.04 -0.03 -0.04 2.15 1.94 1jgvH1 GLN 19 HB3 -0.06 -0.01 0.09 -0.04 2.02 2.00 1jgvH1 GLN 19 HG2 0.06 0.04 -0.43 -0.04 2.40 2.03 1jgvH1 GLN 19 HG3 -0.01 -0.04 -0.11 -0.04 2.39 2.20 1jgvH1 GLN 19 HE21 -0.18 -0.02 -0.08 -0.04 6.97 6.65 1jgvH1 GLN 19 HE22 -0.11 -0.01 -0.08 -0.04 7.69 7.45 1jgvH1 LEU 20 H -0.32 0.53 0.32 -0.55 8.37 8.36 1jgvH1 LEU 20 HA -0.09 0.25 0.85 -0.75 4.35 4.60 1jgvH1 LEU 20 HB2 -0.87 -0.06 0.01 -0.04 1.64 0.68 1jgvH1 LEU 20 HB3 -0.22 -0.00 0.01 -0.04 1.64 1.39 1jgvH1 LEU 20 HG -0.51 0.00 -0.17 -0.04 1.64 0.92 1jgvH1 LEU 20 HD13 -0.56 -0.00 -0.11 -0.04 0.93 0.21 1jgvH1 LEU 20 HD23 -0.16 0.04 -0.20 -0.04 0.89 0.53 1jgvH1 SER 21 H 0.16 0.25 0.24 -0.55 8.46 8.56 1jgvH1 SER 21 HA 0.31 0.30 0.74 -0.75 4.49 5.09 1jgvH1 SER 21 HB2 -0.25 0.02 0.06 -0.04 3.95 3.73 1jgvH1 SER 21 HB3 0.15 0.03 -0.22 -0.04 3.93 3.85 1jgvH1 CYS 22 H 0.02 0.51 0.34 -0.55 8.50 8.81 1jgvH1 CYS 22 HA 0.06 0.42 0.87 -0.75 4.58 5.17 1jgvH1 CYS 22 HB2 -0.17 -0.09 -0.03 -0.04 2.97 2.65 1jgvH1 CYS 22 HB3 -0.03 -0.00 -0.22 -0.04 2.97 2.67 1jgvH1 ALA 23 H 0.01 0.60 0.30 -0.55 8.40 8.76 1jgvH1 ALA 23 HA -0.10 0.21 1.15 -0.75 4.34 4.85 1jgvH1 ALA 23 HB3 -0.06 0.02 0.11 -0.04 1.41 1.44 1jgvH1 ALA 24 H -0.32 0.53 0.36 -0.55 8.40 8.42 1jgvH1 ALA 24 HA 0.01 0.11 0.67 -0.75 4.34 4.37 1jgvH1 ALA 24 HB3 -0.94 -0.02 0.04 -0.04 1.41 0.45 1jgvH1 SER 25 H 0.14 0.45 0.29 -0.55 8.46 8.79 1jgvH1 SER 25 HA -0.05 0.11 0.82 -0.75 4.49 4.62 1jgvH1 SER 25 HB2 0.01 0.03 -0.19 -0.04 3.95 3.76 1jgvH1 SER 25 HB3 0.07 -0.06 0.07 -0.04 3.93 3.97 1jgvH1 GLY 26 H -0.00 0.17 0.15 -0.55 8.43 8.20 1jgvH1 GLY 26 HA2 0.06 0.02 0.38 -0.51 4.01 3.96 1jgvH1 GLY 26 HA3 0.12 0.31 0.83 -0.51 4.01 4.76 1jgvH1 PHE 27 H -0.04 0.16 -0.16 -0.55 8.34 7.75 1jgvH1 PHE 27 HA 0.02 0.14 0.49 -0.75 4.62 4.52 1jgvH1 PHE 27 HB2 0.02 -0.02 0.10 -0.04 3.15 3.21 1jgvH1 PHE 27 HB3 -0.02 0.12 -0.29 -0.04 3.06 2.83 1jgvH1 PHE 27 HD2 -0.06 0.15 -0.27 -0.04 7.28 7.07 1jgvH1 PHE 27 HE2 -0.02 0.10 -0.17 -0.04 7.38 7.25 1jgvH1 PHE 27 HZ 0.04 -0.02 -0.21 -0.04 7.32 7.09 1jgvH1 THR 28 H 0.31 0.25 0.14 -0.55 8.28 8.43 1jgvH1 THR 28 HA -0.27 0.19 0.90 -0.75 4.39 4.46 1jgvH1 THR 28 HB 0.11 0.04 0.08 -0.04 4.32 4.51 1jgvH1 THR 28 HG23 0.08 -0.02 -0.05 -0.04 1.22 1.18 1jgvH1 PHE 29 H -0.08 0.17 0.13 -0.55 8.34 8.01 1jgvH1 PHE 29 HA 0.22 0.10 0.33 -0.75 4.62 4.52 1jgvH1 PHE 29 HB2 -0.05 -0.02 0.09 -0.04 3.15 3.12 1jgvH1 PHE 29 HB3 0.02 -0.03 -0.05 -0.04 3.06 2.96 1jgvH1 PHE 29 HD2 -0.38 -0.04 -0.20 -0.04 7.28 6.62 1jgvH1 PHE 29 HE2 -0.26 0.00 -0.42 -0.04 7.38 6.67 1jgvH1 PHE 29 HZ -0.20 0.10 -0.20 -0.04 7.32 6.97 1jgvH1 SER 30 H 0.26 0.06 -0.14 -0.55 8.46 8.10 1jgvH1 SER 30 HA 0.04 -0.08 0.42 -0.75 4.49 4.12 1jgvH1 SER 30 HB2 0.08 0.00 0.12 -0.04 3.95 4.11 1jgvH1 SER 30 HB3 0.06 0.04 0.07 -0.04 3.93 4.06 1jgvH1 GLY 31 H -0.31 0.05 0.26 -0.55 8.43 7.88 1jgvH1 GLY 31 HA2 -0.16 -0.02 0.41 -0.51 4.01 3.73 1jgvH1 GLY 31 HA3 -0.27 0.16 0.67 -0.51 4.01 4.06 1jgvH1 TYR 32 H 0.04 0.59 -0.09 -0.55 8.29 8.27 1jgvH1 TYR 32 HA -0.06 0.11 1.00 -0.75 4.56 4.85 1jgvH1 TYR 32 HB2 0.02 0.06 0.05 -0.04 3.06 3.15 1jgvH1 TYR 32 HB3 -0.09 -0.04 0.04 -0.04 2.98 2.85 1jgvH1 TYR 32 HD2 0.02 0.07 -0.12 -0.04 7.15 7.08 1jgvH1 TYR 32 HE2 0.05 -0.00 -0.03 -0.04 6.85 6.83 1jgvH1 ALA 33 H 0.03 0.70 0.25 -0.55 8.40 8.83 1jgvH1 ALA 33 HA 0.15 0.16 0.81 -0.75 4.34 4.70 1jgvH1 ALA 33 HB3 -0.01 -0.01 -0.03 -0.04 1.41 1.32 1jgvH1 MET 34 H -0.03 0.43 0.26 -0.55 8.47 8.58 1jgvH1 MET 34 HA -0.16 0.20 0.81 -0.75 4.52 4.61 1jgvH1 MET 34 HB2 -0.28 -0.03 0.15 -0.04 2.15 1.95 1jgvH1 MET 34 HB3 -0.52 0.02 0.02 -0.04 2.03 1.51 1jgvH1 MET 34 HG2 -0.30 0.06 -0.01 -0.04 2.63 2.33 1jgvH1 MET 34 HG3 -1.41 -0.07 -0.05 -0.04 2.56 0.99 1jgvH1 MET 34 HE3 -0.53 0.04 -0.20 -0.04 2.10 1.37 1jgvH1 SER 35 H -0.14 0.59 0.42 -0.55 8.46 8.78 1jgvH1 SER 35 HA -0.07 0.19 1.07 -0.75 4.49 4.93 1jgvH1 SER 35 HB2 -0.13 -0.04 -0.07 -0.04 3.95 3.67 1jgvH1 SER 35 HB3 -0.15 0.10 0.16 -0.04 3.93 4.00 1jgvH1 TRP 36 H -0.13 0.55 0.40 -0.55 7.97 8.24 1jgvH1 TRP 36 HA 0.02 0.33 1.10 -0.75 4.62 5.31 1jgvH1 TRP 36 HB2 -0.12 -0.11 0.09 -0.04 3.23 3.05 1jgvH1 TRP 36 HB3 0.07 0.08 -0.02 -0.04 3.23 3.32 1jgvH1 TRP 36 HD1 -0.04 -0.03 -0.19 -0.04 7.22 6.93 1jgvH1 TRP 36 HE1 -0.01 0.15 -0.34 -0.04 10.20 9.96 1jgvH1 TRP 36 HE3 0.16 0.10 -0.29 -0.04 7.59 7.52 1jgvH1 TRP 36 HZ2 -0.04 0.05 -0.59 -0.04 7.44 6.83 1jgvH1 TRP 36 HZ3 0.07 0.05 -0.28 -0.04 7.13 6.92 1jgvH1 TRP 36 HH2 -0.01 -0.02 -0.40 -0.04 7.19 6.72 1jgvH1 PHE 37 H 0.51 0.82 0.42 -0.55 8.34 9.53 1jgvH1 PHE 37 HA 0.13 0.14 1.01 -0.75 4.62 5.14 1jgvH1 PHE 37 HB2 0.45 -0.01 -0.04 -0.04 3.15 3.51 1jgvH1 PHE 37 HB3 0.34 0.03 0.04 -0.04 3.06 3.42 1jgvH1 PHE 37 HD2 -0.09 0.05 -0.34 -0.04 7.28 6.86 1jgvH1 PHE 37 HE2 -0.60 -0.01 -0.20 -0.04 7.38 6.54 1jgvH1 PHE 37 HZ -1.90 0.01 -0.18 -0.04 7.32 5.21 1jgvH1 ARG 38 H 0.30 0.55 0.35 -0.55 8.46 9.12 1jgvH1 ARG 38 HA 0.02 0.28 0.81 -0.75 4.34 4.70 1jgvH1 ARG 38 HB2 -0.65 0.04 -0.13 -0.04 1.90 1.12 1jgvH1 ARG 38 HB3 -0.69 0.01 -0.24 -0.04 1.80 0.84 1jgvH1 ARG 38 HG2 -0.02 -0.02 -0.12 -0.04 1.67 1.47 1jgvH1 ARG 38 HG3 -0.07 -0.04 -0.20 -0.04 1.67 1.32 1jgvH1 ARG 38 HD2 -0.21 0.12 -0.21 -0.04 3.22 2.89 1jgvH1 ARG 38 HD3 -0.05 -0.03 -0.19 -0.04 3.22 2.91 1jgvH1 LEU 39 H 0.03 0.71 0.31 -0.55 8.37 8.86 1jgvH1 LEU 39 HA 0.11 0.24 0.87 -0.75 4.35 4.82 1jgvH1 LEU 39 HB2 0.33 -0.03 0.00 -0.04 1.64 1.90 1jgvH1 LEU 39 HB3 0.17 -0.06 0.22 -0.04 1.64 1.93 1jgvH1 LEU 39 HG 0.07 0.14 -0.18 -0.04 1.64 1.63 1jgvH1 LEU 39 HD13 0.05 0.03 -0.32 -0.04 0.93 0.64 1jgvH1 LEU 39 HD23 0.09 -0.01 -0.04 -0.04 0.89 0.89 1jgvH1 THR 40 H 0.04 0.51 0.21 -0.55 8.28 8.49 1jgvH1 THR 40 HA 0.01 0.24 0.53 -0.75 4.39 4.42 1jgvH1 THR 40 HB 0.03 0.10 0.21 -0.04 4.32 4.62 1jgvH1 THR 40 HG23 0.02 0.08 0.02 -0.04 1.22 1.30 1jgvH1 PRO 41 HA 0.05 0.11 0.47 -0.51 4.44 4.55 1jgvH1 PRO 41 HB2 0.05 -0.01 0.06 -0.04 2.28 2.33 1jgvH1 PRO 41 HB3 0.07 0.03 0.09 -0.04 2.02 2.16 1jgvH1 PRO 41 HG2 0.06 0.04 0.09 -0.04 2.03 2.18 1jgvH1 PRO 41 HG3 0.06 0.03 0.02 -0.04 2.03 2.10 1jgvH1 PRO 41 HD2 0.04 0.03 0.26 -0.04 3.68 3.96 1jgvH1 PRO 41 HD3 0.04 0.47 0.35 -0.04 3.65 4.47 1jgvH1 GLU 42 H 0.03 0.09 -0.20 -0.55 8.60 7.98 1jgvH1 GLU 42 HA 0.03 0.14 0.44 -0.75 4.29 4.15 1jgvH1 GLU 42 HB2 0.03 -0.06 -0.02 -0.04 2.09 2.00 1jgvH1 GLU 42 HB3 0.03 0.04 0.09 -0.04 1.99 2.10 1jgvH1 GLU 42 HG2 0.03 0.01 0.02 -0.04 2.34 2.35 1jgvH1 GLU 42 HG3 0.03 0.04 0.01 -0.04 2.34 2.37 1jgvH1 LYS 43 H 0.04 0.41 -0.77 -0.55 8.42 7.54 1jgvH1 LYS 43 HA 0.03 0.10 0.19 -0.75 4.32 3.89 1jgvH1 LYS 43 HB2 0.02 0.26 0.23 -0.04 1.87 2.34 1jgvH1 LYS 43 HB3 0.02 -0.08 0.19 -0.04 1.79 1.88 1jgvH1 LYS 43 HG2 0.03 0.08 -0.38 -0.04 1.46 1.15 1jgvH1 LYS 43 HG3 0.02 -0.05 -0.06 -0.04 1.46 1.33 1jgvH1 LYS 43 HD2 0.03 -0.07 -0.01 -0.04 1.69 1.60 1jgvH1 LYS 43 HD3 0.04 0.10 -0.03 -0.04 1.68 1.75 1jgvH1 LYS 43 HE2 0.04 0.13 0.02 -0.04 2.99 3.13 1jgvH1 LYS 43 HE3 0.03 -0.05 -0.01 -0.04 2.99 2.92 1jgvH1 ARG 44 H 0.04 -0.01 -0.08 -0.55 8.46 7.86 1jgvH1 ARG 44 HA 0.03 0.20 0.88 -0.75 4.34 4.70 1jgvH1 ARG 44 HB2 0.05 0.06 -0.03 -0.04 1.90 1.95 1jgvH1 ARG 44 HB3 0.03 0.07 -0.09 -0.04 1.80 1.77 1jgvH1 ARG 44 HG2 0.04 -0.18 0.07 -0.04 1.67 1.55 1jgvH1 ARG 44 HG3 0.05 0.04 -0.09 -0.04 1.67 1.62 1jgvH1 ARG 44 HD2 0.04 0.04 -0.04 -0.04 3.22 3.21 1jgvH1 ARG 44 HD3 0.03 0.05 -0.08 -0.04 3.22 3.18 1jgvH1 LEU 45 H 0.05 0.17 0.16 -0.55 8.37 8.20 1jgvH1 LEU 45 HA 0.12 0.24 0.86 -0.75 4.35 4.81 1jgvH1 LEU 45 HB2 0.01 0.01 0.05 -0.04 1.64 1.67 1jgvH1 LEU 45 HB3 0.06 -0.02 0.14 -0.04 1.64 1.77 1jgvH1 LEU 45 HG 0.18 -0.03 -0.20 -0.04 1.64 1.55 1jgvH1 LEU 45 HD13 0.09 0.04 -0.11 -0.04 0.93 0.91 1jgvH1 LEU 45 HD23 -0.16 -0.00 -0.06 -0.04 0.89 0.63 1jgvH1 GLU 46 H 0.19 0.72 0.40 -0.55 8.60 9.37 1jgvH1 GLU 46 HA 0.21 0.16 1.03 -0.75 4.29 4.94 1jgvH1 GLU 46 HB2 0.08 0.02 0.05 -0.04 2.09 2.20 1jgvH1 GLU 46 HB3 0.10 0.09 -0.08 -0.04 1.99 2.07 1jgvH1 GLU 46 HG2 0.10 0.02 -0.10 -0.04 2.34 2.32 1jgvH1 GLU 46 HG3 0.08 -0.01 -0.29 -0.04 2.34 2.08 1jgvH1 TRP 47 H 0.39 0.14 0.16 -0.55 7.97 8.11 1jgvH1 TRP 47 HA -0.29 0.11 0.66 -0.75 4.62 4.34 1jgvH1 TRP 47 HB2 0.05 0.03 0.03 -0.04 3.23 3.30 1jgvH1 TRP 47 HB3 0.01 -0.02 0.09 -0.04 3.23 3.27 1jgvH1 TRP 47 HD1 -1.16 0.03 -0.07 -0.04 7.22 5.98 1jgvH1 TRP 47 HE1 -0.21 0.05 -0.40 -0.04 10.20 9.60 1jgvH1 TRP 47 HE3 0.01 -0.02 -0.17 -0.04 7.59 7.36 1jgvH1 TRP 47 HZ2 -0.01 -0.03 -0.29 -0.04 7.44 7.06 1jgvH1 TRP 47 HZ3 0.05 0.02 -0.37 -0.04 7.13 6.78 1jgvH1 TRP 47 HH2 0.08 -0.06 -0.51 -0.04 7.19 6.66 1jgvH1 VAL 48 H -0.94 0.63 0.42 -0.55 8.24 7.79 1jgvH1 VAL 48 HA -0.50 0.14 1.00 -0.75 4.13 4.02 1jgvH1 VAL 48 HB -0.07 0.07 -0.10 -0.04 2.12 1.98 1jgvH1 VAL 48 HG13 0.07 -0.01 -0.19 -0.04 0.97 0.80 1jgvH1 VAL 48 HG23 0.04 0.02 -0.32 -0.04 0.95 0.65 1jgvH1 ALA 49 H -0.95 0.35 0.36 -0.55 8.40 7.61 1jgvH1 ALA 49 HA -0.72 0.13 0.51 -0.75 4.34 3.51 1jgvH1 ALA 49 HB3 -0.04 0.04 0.02 -0.04 1.41 1.40 1jgvH1 SER 50 H 0.14 0.54 0.36 -0.55 8.46 8.96 1jgvH1 SER 50 HA 0.16 0.30 0.94 -0.75 4.49 5.13 1jgvH1 SER 50 HB2 0.38 -0.06 -0.08 -0.04 3.95 4.14 1jgvH1 SER 50 HB3 0.23 0.01 -0.10 -0.04 3.93 4.03 1jgvH1 ILE 51 H 0.09 0.61 0.30 -0.55 8.25 8.69 1jgvH1 ILE 51 HA 0.08 0.42 0.94 -0.75 4.18 4.87 1jgvH1 ILE 51 HB 0.07 0.08 -0.18 -0.04 1.89 1.81 1jgvH1 ILE 51 HG12 0.13 -0.26 -0.23 -0.04 1.49 1.09 1jgvH1 ILE 51 HG13 0.07 0.10 -0.05 -0.04 1.21 1.29 1jgvH1 ILE 51 HG23 0.03 0.01 -0.07 -0.04 0.93 0.86 1jgvH1 ILE 51 HD13 0.15 0.03 -0.14 -0.04 0.88 0.88 1jgvH1 TYR 52 H 0.04 0.47 0.31 -0.55 8.29 8.56 1jgvH1 TYR 52 HA -0.06 0.30 1.14 -0.75 4.56 5.19 1jgvH1 TYR 52 HB2 -0.09 0.05 -0.04 -0.04 3.06 2.94 1jgvH1 TYR 52 HB3 -0.24 -0.03 0.16 -0.04 2.98 2.82 1jgvH1 TYR 52 HD2 -0.51 -0.02 -0.25 -0.04 7.15 6.33 1jgvH1 TYR 52 HE2 0.01 0.14 -0.13 -0.04 6.85 6.83 1jgvH1 ASN 53 H -0.48 0.31 0.17 -0.55 8.53 7.99 1jgvH1 ASN 53 HA -0.81 0.01 0.32 -0.75 4.76 3.52 1jgvH1 ASN 53 HB2 -0.91 0.07 -0.18 -0.04 2.88 1.82 1jgvH1 ASN 53 HB3 -0.27 0.07 0.23 -0.04 2.79 2.78 1jgvH1 ASN 53 HD21 -0.18 0.01 0.07 -0.04 7.03 6.89 1jgvH1 ASN 53 HD22 -0.01 0.08 0.04 -0.04 7.74 7.81 1jgvH1 GLY 54 H 0.02 -0.01 -0.67 -0.55 8.43 7.23 1jgvH1 GLY 54 HA2 0.19 -0.02 0.23 -0.51 4.01 3.90 1jgvH1 GLY 54 HA3 0.03 0.08 0.40 -0.51 4.01 4.02 1jgvH1 PHE 55 H -0.46 0.48 -0.09 -0.55 8.34 7.72 1jgvH1 PHE 55 HA 0.06 0.24 1.00 -0.75 4.62 5.16 1jgvH1 PHE 55 HB2 0.04 -0.02 0.13 -0.04 3.15 3.26 1jgvH1 PHE 55 HB3 0.02 0.04 -0.10 -0.04 3.06 2.98 1jgvH1 PHE 55 HD2 0.03 0.05 -0.21 -0.04 7.28 7.12 1jgvH1 PHE 55 HE2 0.08 -0.03 -0.04 -0.04 7.38 7.34 1jgvH1 PHE 55 HZ 0.33 -0.03 -0.05 -0.04 7.32 7.52 1jgvH1 ARG 56 H -0.17 0.14 0.19 -0.55 8.46 8.06 1jgvH1 ARG 56 HA 0.13 0.22 0.91 -0.75 4.34 4.84 1jgvH1 ARG 56 HB2 0.10 0.04 0.01 -0.04 1.90 2.00 1jgvH1 ARG 56 HB3 0.05 -0.15 0.21 -0.04 1.80 1.87 1jgvH1 ARG 56 HG2 0.25 0.02 -0.21 -0.04 1.67 1.69 1jgvH1 ARG 56 HG3 0.18 0.06 -0.00 -0.04 1.67 1.87 1jgvH1 ARG 56 HD2 0.03 -0.05 -0.09 -0.04 3.22 3.08 1jgvH1 ARG 56 HD3 0.09 0.04 -0.07 -0.04 3.22 3.24 1jgvH1 ILE 57 H -0.04 0.27 0.11 -0.55 8.25 8.04 1jgvH1 ILE 57 HA 0.00 0.31 1.21 -0.75 4.18 4.94 1jgvH1 ILE 57 HB -0.04 -0.01 0.05 -0.04 1.89 1.85 1jgvH1 ILE 57 HG12 0.05 -0.02 -0.29 -0.04 1.49 1.18 1jgvH1 ILE 57 HG13 0.07 0.06 -0.09 -0.04 1.21 1.20 1jgvH1 ILE 57 HG23 -0.25 0.02 0.01 -0.04 0.93 0.67 1jgvH1 ILE 57 HD13 0.06 0.06 -0.40 -0.04 0.88 0.55 1jgvH1 HIS 58 H 0.03 0.55 0.34 -0.55 8.41 8.79 1jgvH1 HIS 58 HA 0.08 0.19 0.93 -0.75 4.63 5.07 1jgvH1 HIS 58 HB2 0.31 -0.06 -0.02 -0.04 3.26 3.45 1jgvH1 HIS 58 HB3 0.38 0.03 -0.02 -0.04 3.20 3.54 1jgvH1 HIS 58 HD2 0.05 -0.04 -0.40 -0.04 6.97 6.53 1jgvH1 HIS 58 HE1 0.03 0.00 -0.03 -0.04 7.75 7.70 1jgvH1 TYR 59 H 0.37 0.24 0.17 -0.55 8.29 8.52 1jgvH1 TYR 59 HA -0.17 0.22 1.02 -0.75 4.56 4.87 1jgvH1 TYR 59 HB2 0.05 -0.05 -0.01 -0.04 3.06 3.00 1jgvH1 TYR 59 HB3 -0.06 0.12 -0.05 -0.04 2.98 2.95 1jgvH1 TYR 59 HD2 -0.01 0.03 -0.04 -0.04 7.15 7.08 1jgvH1 TYR 59 HE2 0.04 -0.06 -0.09 -0.04 6.85 6.71 1jgvH1 LEU 60 H -0.34 0.64 0.23 -0.55 8.37 8.35 1jgvH1 LEU 60 HA 0.28 0.04 0.50 -0.75 4.35 4.41 1jgvH1 LEU 60 HB2 -0.31 0.19 0.16 -0.04 1.64 1.63 1jgvH1 LEU 60 HB3 -0.20 -0.03 0.19 -0.04 1.64 1.56 1jgvH1 LEU 60 HG 0.01 -0.27 -0.05 -0.04 1.64 1.29 1jgvH1 LEU 60 HD13 0.20 0.03 0.08 -0.04 0.93 1.20 1jgvH1 LEU 60 HD23 -0.05 0.06 -0.00 -0.04 0.89 0.86 1jgvH1 ASP 61 H 0.13 0.15 0.19 -0.55 8.40 8.33 1jgvH1 ASP 61 HA 0.05 0.09 0.35 -0.75 4.63 4.37 1jgvH1 ASP 61 HB2 0.05 -0.03 0.16 -0.04 2.71 2.84 1jgvH1 ASP 61 HB3 0.03 0.05 0.03 -0.04 2.70 2.77 1jgvH1 SER 62 H -0.02 0.06 -0.18 -0.55 8.46 7.78 1jgvH1 SER 62 HA -0.06 0.11 0.36 -0.75 4.49 4.15 1jgvH1 SER 62 HB2 -0.08 0.03 0.08 -0.04 3.95 3.94 1jgvH1 SER 62 HB3 -0.03 -0.02 0.07 -0.04 3.93 3.90 1jgvH1 VAL 63 H -0.17 0.41 -0.49 -0.55 8.24 7.43 1jgvH1 VAL 63 HA -0.45 0.28 1.02 -0.75 4.13 4.24 1jgvH1 VAL 63 HB -1.13 -0.09 0.12 -0.04 2.12 0.98 1jgvH1 VAL 63 HG13 -0.76 -0.01 -0.18 -0.04 0.97 -0.02 1jgvH1 VAL 63 HG23 -0.21 0.03 -0.03 -0.04 0.95 0.70 1jgvH1 LYS 64 H -0.13 0.36 -0.03 -0.55 8.42 8.08 1jgvH1 LYS 64 HA -0.33 0.01 0.49 -0.75 4.32 3.73 1jgvH1 LYS 64 HB2 -0.05 0.12 0.17 -0.04 1.87 2.06 1jgvH1 LYS 64 HB3 -0.06 -0.02 0.03 -0.04 1.79 1.69 1jgvH1 LYS 64 HG2 0.06 -0.05 -0.02 -0.04 1.46 1.41 1jgvH1 LYS 64 HG3 0.03 0.10 -0.09 -0.04 1.46 1.46 1jgvH1 LYS 64 HD2 0.05 -0.00 0.04 -0.04 1.69 1.74 1jgvH1 LYS 64 HD3 0.07 -0.01 0.01 -0.04 1.68 1.71 1jgvH1 LYS 64 HE2 0.22 -0.07 0.01 -0.04 2.99 3.11 1jgvH1 LYS 64 HE3 0.17 0.09 -0.13 -0.04 2.99 3.08 1jgvH1 GLY 65 H -0.24 0.16 0.19 -0.55 8.43 7.99 1jgvH1 GLY 65 HA2 -0.08 -0.03 0.33 -0.51 4.01 3.72 1jgvH1 GLY 65 HA3 -0.07 0.13 0.53 -0.51 4.01 4.09 1jgvH1 ARG 66 H -0.11 0.36 -0.43 -0.55 8.46 7.72 1jgvH1 ARG 66 HA 0.02 0.14 0.89 -0.75 4.34 4.64 1jgvH1 ARG 66 HB2 -0.02 -0.03 0.04 -0.04 1.90 1.85 1jgvH1 ARG 66 HB3 0.16 0.30 0.03 -0.04 1.80 2.25 1jgvH1 ARG 66 HG2 -0.01 -0.02 -0.23 -0.04 1.67 1.37 1jgvH1 ARG 66 HG3 -0.06 0.07 -0.30 -0.04 1.67 1.33 1jgvH1 ARG 66 HD2 0.02 0.22 0.05 -0.04 3.22 3.47 1jgvH1 ARG 66 HD3 -0.03 -0.09 -0.03 -0.04 3.22 3.03 1jgvH1 PHE 67 H 0.01 0.53 0.27 -0.55 8.34 8.60 1jgvH1 PHE 67 HA -0.14 0.36 1.06 -0.75 4.62 5.14 1jgvH1 PHE 67 HB2 -0.16 -0.00 0.07 -0.04 3.15 3.02 1jgvH1 PHE 67 HB3 -0.12 -0.06 -0.11 -0.04 3.06 2.74 1jgvH1 PHE 67 HD2 -0.11 -0.09 -0.42 -0.04 7.28 6.61 1jgvH1 PHE 67 HE2 -0.01 0.05 -0.13 -0.04 7.38 7.25 1jgvH1 PHE 67 HZ -0.01 -0.02 -0.09 -0.04 7.32 7.15 1jgvH1 THR 68 H -0.05 0.60 0.25 -0.55 8.28 8.54 1jgvH1 THR 68 HA 0.11 0.15 0.94 -0.75 4.39 4.84 1jgvH1 THR 68 HB -0.01 -0.06 0.09 -0.04 4.32 4.30 1jgvH1 THR 68 HG23 0.09 -0.01 -0.23 -0.04 1.22 1.03 1jgvH1 ILE 69 H 0.49 0.19 0.09 -0.55 8.25 8.47 1jgvH1 ILE 69 HA 0.19 0.31 0.92 -0.75 4.18 4.85 1jgvH1 ILE 69 HB 0.24 -0.03 -0.03 -0.04 1.89 2.03 1jgvH1 ILE 69 HG12 0.21 -0.05 -0.24 -0.04 1.49 1.37 1jgvH1 ILE 69 HG13 0.48 0.19 0.04 -0.04 1.21 1.88 1jgvH1 ILE 69 HG23 -0.04 -0.00 -0.02 -0.04 0.93 0.83 1jgvH1 ILE 69 HD13 0.19 -0.02 -0.32 -0.04 0.88 0.68 1jgvH1 SER 70 H 0.25 0.44 0.27 -0.55 8.46 8.89 1jgvH1 SER 70 HA 0.16 0.16 0.71 -0.75 4.49 4.76 1jgvH1 SER 70 HB2 0.13 -0.01 0.06 -0.04 3.95 4.08 1jgvH1 SER 70 HB3 0.11 0.08 -0.23 -0.04 3.93 3.85 1jgvH1 SER 71 H 0.18 0.27 0.18 -0.55 8.46 8.54 1jgvH1 SER 71 HA 0.15 0.30 0.97 -0.75 4.49 5.16 1jgvH1 SER 71 HB2 -0.05 0.08 -0.17 -0.04 3.95 3.77 1jgvH1 SER 71 HB3 -0.00 -0.06 -0.04 -0.04 3.93 3.79 1jgvH1 ASP 72 H 0.04 0.64 0.23 -0.55 8.40 8.76 1jgvH1 ASP 72 HA 0.11 0.19 0.87 -0.75 4.63 5.05 1jgvH1 ASP 72 HB2 0.22 0.13 0.06 -0.04 2.71 3.08 1jgvH1 ASP 72 HB3 0.06 -0.02 0.27 -0.04 2.70 2.97 1jgvH1 TYR 73 H 0.28 0.33 0.03 -0.55 8.29 8.38 1jgvH1 TYR 73 HA -0.04 0.04 0.45 -0.75 4.56 4.26 1jgvH1 TYR 73 HB2 0.02 0.08 0.05 -0.04 3.06 3.17 1jgvH1 TYR 73 HB3 0.01 0.03 0.08 -0.04 2.98 3.06 1jgvH1 TYR 73 HD2 0.07 0.02 -0.05 -0.04 7.15 7.15 1jgvH1 TYR 73 HE2 0.03 0.07 -0.13 -0.04 6.85 6.77 1jgvH1 ALA 74 H 0.06 0.02 -0.30 -0.55 8.40 7.63 1jgvH1 ALA 74 HA 0.01 0.15 0.52 -0.75 4.34 4.27 1jgvH1 ALA 74 HB3 0.02 0.01 0.06 -0.04 1.41 1.46 1jgvH1 ARG 75 H -0.05 -0.00 -0.08 -0.55 8.46 7.77 1jgvH1 ARG 75 HA -0.10 0.22 0.69 -0.75 4.34 4.39 1jgvH1 ARG 75 HB2 -0.05 -0.04 -0.01 -0.04 1.90 1.75 1jgvH1 ARG 75 HB3 -0.07 0.07 0.06 -0.04 1.80 1.82 1jgvH1 ARG 75 HG2 -0.02 0.07 -0.06 -0.04 1.67 1.61 1jgvH1 ARG 75 HG3 -0.01 -0.13 -0.03 -0.04 1.67 1.46 1jgvH1 ARG 75 HD2 0.01 0.01 -0.02 -0.04 3.22 3.18 1jgvH1 ARG 75 HD3 0.04 -0.03 -0.02 -0.04 3.22 3.17 1jgvH1 ASN 76 H -0.25 0.12 -0.17 -0.55 8.53 7.68 1jgvH1 ASN 76 HA -0.98 -0.10 0.36 -0.75 4.76 3.29 1jgvH1 ASN 76 HB2 -0.51 0.29 -0.06 -0.04 2.88 2.56 1jgvH1 ASN 76 HB3 -1.21 -0.10 0.26 -0.04 2.79 1.69 1jgvH1 ASN 76 HD21 -0.17 -0.01 0.00 -0.04 7.03 6.81 1jgvH1 ASN 76 HD22 -0.26 0.10 -0.17 -0.04 7.74 7.37 1jgvH1 ILE 77 H -0.25 0.21 0.15 -0.55 8.25 7.80 1jgvH1 ILE 77 HA -0.15 0.35 1.04 -0.75 4.18 4.66 1jgvH1 ILE 77 HB -0.14 -0.14 0.03 -0.04 1.89 1.61 1jgvH1 ILE 77 HG12 -0.15 0.08 -0.06 -0.04 1.49 1.32 1jgvH1 ILE 77 HG13 -0.17 0.02 -0.68 -0.04 1.21 0.34 1jgvH1 ILE 77 HG23 -0.55 0.02 -0.21 -0.04 0.93 0.14 1jgvH1 ILE 77 HD13 -0.02 -0.01 -0.08 -0.04 0.88 0.73 1jgvH1 LEU 78 H 0.02 0.71 0.35 -0.55 8.37 8.92 1jgvH1 LEU 78 HA 0.06 0.13 0.94 -0.75 4.35 4.72 1jgvH1 LEU 78 HB2 -0.25 -0.06 -0.00 -0.04 1.64 1.28 1jgvH1 LEU 78 HB3 -0.14 -0.03 0.09 -0.04 1.64 1.51 1jgvH1 LEU 78 HG 0.36 0.10 -0.24 -0.04 1.64 1.82 1jgvH1 LEU 78 HD13 -0.05 0.03 -0.04 -0.04 0.93 0.83 1jgvH1 LEU 78 HD23 -0.88 -0.02 -0.19 -0.04 0.89 -0.24 1jgvH1 TYR 79 H 0.32 0.59 0.38 -0.55 8.29 9.03 1jgvH1 TYR 79 HA 0.25 0.34 1.12 -0.75 4.56 5.51 1jgvH1 TYR 79 HB2 0.09 -0.08 0.03 -0.04 3.06 3.05 1jgvH1 TYR 79 HB3 0.02 0.02 0.00 -0.04 2.98 2.98 1jgvH1 TYR 79 HD2 0.05 0.05 -0.18 -0.04 7.15 7.03 1jgvH1 TYR 79 HE2 0.03 -0.03 -0.13 -0.04 6.85 6.68 1jgvH1 LEU 80 H -0.09 0.59 0.17 -0.55 8.37 8.49 1jgvH1 LEU 80 HA -0.25 0.20 0.74 -0.75 4.35 4.30 1jgvH1 LEU 80 HB2 -2.37 0.00 -0.19 -0.04 1.64 -0.95 1jgvH1 LEU 80 HB3 -1.30 -0.07 0.08 -0.04 1.64 0.31 1jgvH1 LEU 80 HG -0.70 0.02 -0.35 -0.04 1.64 0.57 1jgvH1 LEU 80 HD13 -0.21 0.01 -0.20 -0.04 0.93 0.49 1jgvH1 LEU 80 HD23 -0.73 -0.00 -0.15 -0.04 0.89 -0.03 1jgvH1 GLN 81 H -0.12 0.73 0.23 -0.55 8.47 8.77 1jgvH1 GLN 81 HA -0.21 0.11 0.84 -0.75 4.36 4.34 1jgvH1 GLN 81 HB2 -0.09 -0.03 0.05 -0.04 2.15 2.03 1jgvH1 GLN 81 HB3 -0.08 -0.02 0.20 -0.04 2.02 2.08 1jgvH1 GLN 81 HG2 -0.08 -0.02 -0.09 -0.04 2.40 2.16 1jgvH1 GLN 81 HG3 -0.12 0.05 -0.34 -0.04 2.39 1.94 1jgvH1 GLN 81 HE21 -0.10 -0.05 -0.19 -0.04 6.97 6.59 1jgvH1 GLN 81 HE22 -0.11 0.04 -0.25 -0.04 7.69 7.33 1jgvH1 MET 82 H -0.37 0.82 0.41 -0.55 8.47 8.80 1jgvH1 MET 82 HA -0.70 0.15 0.97 -0.75 4.52 4.18 1jgvH1 MET 82 HB2 -0.53 0.01 0.16 -0.04 2.15 1.74 1jgvH1 MET 82 HB3 -0.94 0.01 -0.07 -0.04 2.03 0.99 1jgvH1 MET 82 HG2 -1.99 -0.03 -0.19 -0.04 2.63 0.38 1jgvH1 MET 82 HG3 -0.83 0.03 -0.25 -0.04 2.56 1.47 1jgvH1 MET 82 HE3 -0.53 -0.00 -0.18 -0.04 2.10 1.34 1jgvH1 SER 82 H -0.06 0.70 0.23 -0.55 8.46 8.78 1jgvH1 SER 82 HA -0.07 0.12 0.98 -0.75 4.49 4.77 1jgvH1 SER 82 HB2 -0.04 -0.07 0.09 -0.04 3.95 3.90 1jgvH1 SER 82 HB3 -0.06 -0.08 -0.10 -0.04 3.93 3.65 1jgvH1 THR 82 H -0.02 0.23 0.09 -0.55 8.28 8.03 1jgvH1 THR 82 HA 0.00 0.06 0.35 -0.75 4.39 4.05 1jgvH1 THR 82 HB 0.03 0.14 0.04 -0.04 4.32 4.49 1jgvH1 THR 82 HG23 0.00 -0.02 0.08 -0.04 1.22 1.24 1jgvH1 LEU 82 H 0.00 0.52 -0.34 -0.55 8.37 8.00 1jgvH1 LEU 82 HA 0.13 0.06 0.26 -0.75 4.35 4.04 1jgvH1 LEU 82 HB2 -0.01 0.02 -0.20 -0.04 1.64 1.41 1jgvH1 LEU 82 HB3 0.02 -0.00 -0.27 -0.04 1.64 1.35 1jgvH1 LEU 82 HG -0.09 0.06 -0.41 -0.04 1.64 1.15 1jgvH1 LEU 82 HD13 -0.11 -0.02 -0.38 -0.04 0.93 0.38 1jgvH1 LEU 82 HD23 -0.04 -0.00 -0.18 -0.04 0.89 0.63 1jgvH1 ARG 83 H 0.10 0.15 0.14 -0.55 8.46 8.29 1jgvH1 ARG 83 HA 0.03 0.17 0.86 -0.75 4.34 4.64 1jgvH1 ARG 83 HB2 0.03 -0.04 0.03 -0.04 1.90 1.88 1jgvH1 ARG 83 HB3 0.02 -0.10 0.14 -0.04 1.80 1.82 1jgvH1 ARG 83 HG2 0.01 0.01 -0.06 -0.04 1.67 1.59 1jgvH1 ARG 83 HG3 0.03 0.23 -0.10 -0.04 1.67 1.79 1jgvH1 ARG 83 HD2 -0.02 0.03 0.01 -0.04 3.22 3.20 1jgvH1 ARG 83 HD3 -0.00 -0.09 0.02 -0.04 3.22 3.10 1jgvH1 SER 84 H 0.02 0.18 0.16 -0.55 8.46 8.27 1jgvH1 SER 84 HA 0.04 0.24 0.49 -0.75 4.49 4.51 1jgvH1 SER 84 HB2 0.01 -0.05 0.17 -0.04 3.95 4.04 1jgvH1 SER 84 HB3 0.02 0.04 0.09 -0.04 3.93 4.04 1jgvH1 GLU 85 H 0.03 0.06 -0.12 -0.55 8.60 8.02 1jgvH1 GLU 85 HA 0.04 0.09 0.38 -0.75 4.29 4.05 1jgvH1 GLU 85 HB2 0.02 0.02 -0.05 -0.04 2.09 2.04 1jgvH1 GLU 85 HB3 0.02 0.04 0.08 -0.04 1.99 2.08 1jgvH1 GLU 85 HG2 0.01 0.04 0.03 -0.04 2.34 2.38 1jgvH1 GLU 85 HG3 0.02 0.02 0.05 -0.04 2.34 2.38 1jgvH1 ASP 86 H 0.08 0.29 -0.69 -0.55 8.40 7.53 1jgvH1 ASP 86 HA 0.16 0.10 0.49 -0.75 4.63 4.63 1jgvH1 ASP 86 HB2 0.17 0.14 -0.01 -0.04 2.71 2.97 1jgvH1 ASP 86 HB3 0.35 -0.01 -0.01 -0.04 2.70 3.00 1jgvH1 THR 87 H 0.10 0.44 -0.19 -0.55 8.28 8.08 1jgvH1 THR 87 HA 0.14 0.19 0.53 -0.75 4.39 4.50 1jgvH1 THR 87 HB 0.08 0.03 0.25 -0.04 4.32 4.64 1jgvH1 THR 87 HG23 0.10 -0.01 -0.01 -0.04 1.22 1.26 1jgvH1 ALA 88 H 0.17 0.53 0.47 -0.55 8.40 9.03 1jgvH1 ALA 88 HA 0.02 0.01 0.39 -0.75 4.34 4.01 1jgvH1 ALA 88 HB3 -0.16 0.07 -0.20 -0.04 1.41 1.08 1jgvH1 MET 89 H -0.07 0.59 0.27 -0.55 8.47 8.71 1jgvH1 MET 89 HA -0.02 0.14 0.73 -0.75 4.52 4.61 1jgvH1 MET 89 HB2 -0.02 0.01 0.04 -0.04 2.15 2.14 1jgvH1 MET 89 HB3 -0.05 -0.02 0.22 -0.04 2.03 2.14 1jgvH1 MET 89 HG2 -0.09 -0.00 -0.06 -0.04 2.63 2.45 1jgvH1 MET 89 HG3 -0.60 0.04 -0.22 -0.04 2.56 1.74 1jgvH1 MET 89 HE3 0.02 0.01 -0.07 -0.04 2.10 2.02 1jgvH1 TYR 90 H 0.14 0.86 0.36 -0.55 8.29 9.10 1jgvH1 TYR 90 HA 0.06 0.23 1.07 -0.75 4.56 5.17 1jgvH1 TYR 90 HB2 0.02 0.04 0.12 -0.04 3.06 3.20 1jgvH1 TYR 90 HB3 0.23 -0.03 -0.01 -0.04 2.98 3.12 1jgvH1 TYR 90 HD2 0.03 0.04 -0.07 -0.04 7.15 7.11 1jgvH1 TYR 90 HE2 0.09 0.03 -0.08 -0.04 6.85 6.85 1jgvH1 TYR 91 H 0.49 0.71 0.30 -0.55 8.29 9.24 1jgvH1 TYR 91 HA 0.31 0.23 0.86 -0.75 4.56 5.21 1jgvH1 TYR 91 HB2 0.53 -0.12 -0.07 -0.04 3.06 3.36 1jgvH1 TYR 91 HB3 0.49 0.11 -0.07 -0.04 2.98 3.47 1jgvH1 TYR 91 HD2 0.27 0.10 -0.31 -0.04 7.15 7.16 1jgvH1 TYR 91 HE2 0.07 -0.06 -0.10 -0.04 6.85 6.72 1jgvH1 CYS 92 H 0.10 0.16 0.16 -0.55 8.50 8.37 1jgvH1 CYS 92 HA -0.80 0.30 0.97 -0.75 4.58 4.30 1jgvH1 CYS 92 HB2 -0.94 0.01 0.01 -0.04 2.97 2.01 1jgvH1 CYS 92 HB3 -1.78 0.00 -0.07 -0.04 2.97 1.09 1jgvH1 SER 93 H -0.41 0.54 0.33 -0.55 8.46 8.38 1jgvH1 SER 93 HA -0.33 0.19 0.75 -0.75 4.49 4.35 1jgvH1 SER 93 HB2 -1.26 0.04 -0.32 -0.04 3.95 2.37 1jgvH1 SER 93 HB3 -0.48 -0.07 -0.20 -0.04 3.93 3.13 1jgvH1 ARG 94 H -0.27 0.63 0.26 -0.55 8.46 8.53 1jgvH1 ARG 94 HA -0.18 0.13 0.83 -0.75 4.34 4.37 1jgvH1 ARG 94 HB2 -0.33 0.01 -0.05 -0.04 1.90 1.49 1jgvH1 ARG 94 HB3 -0.41 -0.09 0.13 -0.04 1.80 1.39 1jgvH1 ARG 94 HG2 -0.48 0.01 -0.29 -0.04 1.67 0.87 1jgvH1 ARG 94 HG3 -0.42 0.00 -0.08 -0.04 1.67 1.12 1jgvH1 ARG 94 HD2 -2.16 0.06 -0.12 -0.04 3.22 0.96 1jgvH1 ARG 94 HD3 -1.70 0.01 -0.14 -0.04 3.22 1.35 1jgvH1 GLY 95 H -0.17 0.42 0.19 -0.55 8.43 8.33 1jgvH1 GLY 95 HA2 -0.59 0.16 1.21 -0.51 4.01 4.28 1jgvH1 GLY 95 HA3 -1.33 0.10 0.26 -0.51 4.01 2.53 1jgvH1 ASP 96 H -0.65 0.49 0.28 -0.55 8.40 7.98 1jgvH1 ASP 96 HA -0.21 0.10 0.62 -0.75 4.63 4.39 1jgvH1 ASP 96 HB2 -0.79 0.11 0.13 -0.04 2.71 2.12 1jgvH1 ASP 96 HB3 -1.12 -0.14 0.19 -0.04 2.70 1.60 1jgvH1 ALA 97 H -0.30 0.27 0.31 -0.55 8.40 8.14 1jgvH1 ALA 97 HA -0.18 0.11 0.41 -0.75 4.34 3.93 1jgvH1 ALA 97 HB3 -0.24 0.02 0.10 -0.04 1.41 1.26 1jgvH1 TYR 98 H -0.28 -0.01 -0.10 -0.55 8.29 7.34 1jgvH1 TYR 98 HA -0.11 0.21 0.62 -0.75 4.56 4.53 1jgvH1 TYR 98 HB2 -0.09 -0.07 0.10 -0.04 3.06 2.95 1jgvH1 TYR 98 HB3 -0.06 0.06 -0.01 -0.04 2.98 2.93 1jgvH1 TYR 98 HD2 -0.07 0.05 -0.13 -0.04 7.15 6.95 1jgvH1 TYR 98 HE2 -0.05 0.02 -0.02 -0.04 6.85 6.76 1jgvH1 SER 99 H -0.15 -0.04 -0.05 -0.55 8.46 7.66 1jgvH1 SER 99 HA 0.02 0.25 0.75 -0.75 4.49 4.76 1jgvH1 SER 99 HB2 -0.20 -0.09 0.05 -0.04 3.95 3.67 1jgvH1 SER 99 HB3 0.22 0.05 0.07 -0.04 3.93 4.23 1jgvH1 ARG 100 H -0.24 0.18 -0.32 -0.55 8.46 7.52 1jgvH1 ARG 100 HA -0.24 0.17 0.25 -0.75 4.34 3.77 1jgvH1 ARG 100 HB2 -0.02 0.17 -0.08 -0.04 1.90 1.94 1jgvH1 ARG 100 HB3 -0.04 -0.06 0.11 -0.04 1.80 1.77 1jgvH1 ARG 100 HG2 -0.09 0.06 -0.13 -0.04 1.67 1.47 1jgvH1 ARG 100 HG3 -0.05 0.04 -0.54 -0.04 1.67 1.07 1jgvH1 ARG 100 HD2 -0.04 -0.01 -0.10 -0.04 3.22 3.04 1jgvH1 ARG 100 HD3 -0.07 -0.05 -0.06 -0.04 3.22 3.00 1jgvH1 TYR 100 H -0.58 -0.06 -0.11 -0.55 8.29 6.99 1jgvH1 TYR 100 HA 0.09 0.24 0.81 -0.75 4.56 4.94 1jgvH1 TYR 100 HB2 0.05 0.03 0.01 -0.04 3.06 3.11 1jgvH1 TYR 100 HB3 0.02 0.11 -0.09 -0.04 2.98 2.98 1jgvH1 TYR 100 HD2 -0.02 0.07 -0.35 -0.04 7.15 6.80 1jgvH1 TYR 100 HE2 -0.02 0.01 -0.04 -0.04 6.85 6.77 1jgvH1 PHE 100 H 0.46 0.26 0.05 -0.55 8.34 8.55 1jgvH1 PHE 100 HA 0.01 0.17 0.99 -0.75 4.62 5.04 1jgvH1 PHE 100 HB2 0.05 0.00 0.03 -0.04 3.15 3.20 1jgvH1 PHE 100 HB3 -0.61 0.04 -0.18 -0.04 3.06 2.27 1jgvH1 PHE 100 HD2 -0.05 -0.02 -0.40 -0.04 7.28 6.76 1jgvH1 PHE 100 HE2 0.06 0.09 -0.18 -0.04 7.38 7.31 1jgvH1 PHE 100 HZ 0.06 -0.02 -0.20 -0.04 7.32 7.12 1jgvH1 ASP 101 H 0.10 0.23 0.18 -0.55 8.40 8.37 1jgvH1 ASP 101 HA 0.24 0.21 0.81 -0.75 4.63 5.14 1jgvH1 ASP 101 HB2 0.05 0.04 0.02 -0.04 2.71 2.78 1jgvH1 ASP 101 HB3 0.13 -0.04 -0.04 -0.04 2.70 2.71 1jgvH1 VAL 102 H -0.09 0.22 0.15 -0.55 8.24 7.97 1jgvH1 VAL 102 HA 0.09 0.26 0.96 -0.75 4.13 4.68 1jgvH1 VAL 102 HB -0.29 -0.14 0.09 -0.04 2.12 1.74 1jgvH1 VAL 102 HG13 -0.09 0.03 -0.25 -0.04 0.97 0.62 1jgvH1 VAL 102 HG23 -0.25 0.01 -0.13 -0.04 0.95 0.53 1jgvH1 TRP 103 H 0.29 0.28 0.16 -0.55 7.97 8.15 1jgvH1 TRP 103 HA 0.00 0.21 1.09 -0.75 4.62 5.16 1jgvH1 TRP 103 HB2 -0.06 -0.02 0.03 -0.04 3.23 3.14 1jgvH1 TRP 103 HB3 -0.05 0.13 -0.00 -0.04 3.23 3.26 1jgvH1 TRP 103 HD1 -0.05 0.03 -0.60 -0.04 7.22 6.56 1jgvH1 TRP 103 HE1 -0.03 0.45 -0.16 -0.04 10.20 10.42 1jgvH1 TRP 103 HE3 -0.23 0.05 -0.15 -0.04 7.59 7.22 1jgvH1 TRP 103 HZ2 -0.38 -0.01 -0.08 -0.04 7.44 6.92 1jgvH1 TRP 103 HZ3 -0.41 -0.05 -0.17 -0.04 7.13 6.45 1jgvH1 TRP 103 HH2 -1.28 -0.03 -0.14 -0.04 7.19 5.69 1jgvH1 GLY 104 H 0.18 0.49 0.26 -0.55 8.43 8.82 1jgvH1 GLY 104 HA2 0.14 0.14 0.72 -0.51 4.01 4.50 1jgvH1 GLY 104 HA3 0.14 -0.03 0.40 -0.51 4.01 4.01 1jgvH1 ALA 105 H 0.14 0.08 0.25 -0.55 8.40 8.33 1jgvH1 ALA 105 HA 0.20 0.06 0.55 -0.75 4.34 4.40 1jgvH1 ALA 105 HB3 0.10 0.00 0.15 -0.04 1.41 1.61 1jgvH1 GLY 106 H 0.22 0.05 0.14 -0.55 8.43 8.29 1jgvH1 GLY 106 HA2 -0.31 0.21 0.37 -0.51 4.01 3.78 1jgvH1 GLY 106 HA3 -0.07 -0.05 0.27 -0.51 4.01 3.64 1jgvH1 THR 107 H -0.09 0.51 0.31 -0.55 8.28 8.45 1jgvH1 THR 107 HA 0.03 0.11 0.91 -0.75 4.39 4.69 1jgvH1 THR 107 HB 0.13 -0.06 0.15 -0.04 4.32 4.50 1jgvH1 THR 107 HG23 0.03 -0.03 -0.16 -0.04 1.22 1.02 1jgvH1 THR 108 H 0.02 0.14 0.16 -0.55 8.28 8.05 1jgvH1 THR 108 HA 0.06 0.21 0.86 -0.75 4.39 4.77 1jgvH1 THR 108 HB 0.01 -0.03 0.10 -0.04 4.32 4.36 1jgvH1 THR 108 HG23 0.03 0.01 -0.23 -0.04 1.22 0.98 1jgvH1 VAL 109 H 0.15 0.74 0.42 -0.55 8.24 9.00 1jgvH1 VAL 109 HA 0.01 0.20 1.02 -0.75 4.13 4.61 1jgvH1 VAL 109 HB 0.23 0.04 0.17 -0.04 2.12 2.53 1jgvH1 VAL 109 HG13 -0.08 -0.01 -0.25 -0.04 0.97 0.58 1jgvH1 VAL 109 HG23 -0.23 -0.00 -0.17 -0.04 0.95 0.51 1jgvH1 THR 110 H 0.05 0.65 0.31 -0.55 8.28 8.74 1jgvH1 THR 110 HA 0.11 0.13 1.04 -0.75 4.39 4.90 1jgvH1 THR 110 HB 0.10 -0.02 0.13 -0.04 4.32 4.49 1jgvH1 THR 110 HG23 0.21 -0.00 -0.12 -0.04 1.22 1.26 1jgvH1 VAL 111 H 0.10 0.20 0.12 -0.55 8.24 8.10 1jgvH1 VAL 111 HA 0.06 0.44 0.92 -0.75 4.13 4.79 1jgvH1 VAL 111 HB 0.06 -0.03 0.04 -0.04 2.12 2.16 1jgvH1 VAL 111 HG13 0.03 -0.03 -0.64 -0.04 0.97 0.29 1jgvH1 VAL 111 HG23 0.05 0.00 -0.33 -0.04 0.95 0.64 1jgvH1 SER 112 H 0.07 0.68 0.21 -0.55 8.46 8.87 1jgvH1 SER 112 HA -0.01 0.04 0.67 -0.75 4.49 4.44 1jgvH1 SER 112 HB2 0.11 0.09 -0.17 -0.04 3.95 3.94 1jgvH1 SER 112 HB3 0.19 0.04 -0.14 -0.04 3.93 3.98 1jgvH1 ALA 113 H -0.11 0.13 0.17 -0.55 8.40 8.04 1jgvH1 ALA 113 HA -0.07 0.16 0.70 -0.75 4.34 4.38 1jgvH1 ALA 113 HB3 -0.07 0.00 0.10 -0.04 1.41 1.40 1jgvH1 ALA 114 H -0.39 -0.06 -0.19 -0.55 8.40 7.21 1jgvH1 ALA 114 HA -0.30 0.05 0.39 -0.75 4.34 3.73 1jgvH1 ALA 114 HB3 -1.17 0.03 0.00 -0.04 1.41 0.23 1jgvH1 LYS 115 H -0.16 0.12 0.11 -0.55 8.42 7.94 1jgvH1 LYS 115 HA 0.01 0.13 0.70 -0.75 4.32 4.42 1jgvH1 LYS 115 HB2 -0.03 -0.00 0.03 -0.04 1.87 1.82 1jgvH1 LYS 115 HB3 0.00 0.04 -0.04 -0.04 1.79 1.75 1jgvH1 LYS 115 HG2 0.02 0.01 0.01 -0.04 1.46 1.46 1jgvH1 LYS 115 HG3 0.05 -0.10 0.11 -0.04 1.46 1.48 1jgvH1 LYS 115 HD2 0.01 0.03 0.01 -0.04 1.69 1.70 1jgvH1 LYS 115 HD3 -0.01 -0.01 -0.00 -0.04 1.68 1.62 1jgvH1 LYS 115 HE2 0.01 -0.00 0.02 -0.04 2.99 2.98 1jgvH1 LYS 115 HE3 0.02 -0.00 0.03 -0.04 2.99 3.00 1jgvH1 THR 116 H 0.13 0.07 0.08 -0.55 8.28 8.01 1jgvH1 THR 116 HA 0.34 0.21 0.31 -0.75 4.39 4.49 1jgvH1 THR 116 HB 0.10 -0.06 0.12 -0.04 4.32 4.45 1jgvH1 THR 116 HG23 0.12 0.03 -0.21 -0.04 1.22 1.13 1jgvH1 THR 117 H 0.32 0.58 0.39 -0.55 8.28 9.01 1jgvH1 THR 117 HA 0.11 0.09 0.93 -0.75 4.39 4.77 1jgvH1 THR 117 HB 0.15 -0.13 0.07 -0.04 4.32 4.37 1jgvH1 THR 117 HG23 0.05 0.06 0.02 -0.04 1.22 1.31 1jgvH1 ALA 118 H 0.09 0.10 0.14 -0.55 8.40 8.18 1jgvH1 ALA 118 HA 0.08 0.03 0.50 -0.75 4.34 4.20 1jgvH1 ALA 118 HB3 0.05 0.01 0.06 -0.04 1.41 1.48 1jgvH1 PRO 119 HA 0.01 0.32 0.37 -0.51 4.44 4.63 1jgvH1 PRO 119 HB2 -0.11 0.01 -0.25 -0.04 2.28 1.88 1jgvH1 PRO 119 HB3 -0.08 -0.03 -0.21 -0.04 2.02 1.66 1jgvH1 PRO 119 HG2 -0.17 -0.00 -0.15 -0.04 2.03 1.67 1jgvH1 PRO 119 HG3 -0.37 -0.01 -0.15 -0.04 2.03 1.46 1jgvH1 PRO 119 HD2 -0.10 0.03 0.12 -0.04 3.68 3.70 1jgvH1 PRO 119 HD3 -0.58 0.14 0.11 -0.04 3.65 3.27 1jgvH1 SER 120 H -0.09 0.69 0.27 -0.55 8.46 8.79 1jgvH1 SER 120 HA -0.19 0.09 0.71 -0.75 4.49 4.35 1jgvH1 SER 120 HB2 -0.26 0.01 0.18 -0.04 3.95 3.84 1jgvH1 SER 120 HB3 -0.57 -0.03 0.00 -0.04 3.93 3.29 1jgvH1 VAL 121 H -0.27 0.20 0.07 -0.55 8.24 7.70 1jgvH1 VAL 121 HA -0.25 0.24 0.98 -0.75 4.13 4.35 1jgvH1 VAL 121 HB -0.13 -0.02 0.04 -0.04 2.12 1.98 1jgvH1 VAL 121 HG13 -0.12 -0.00 -0.27 -0.04 0.97 0.54 1jgvH1 VAL 121 HG23 -0.15 0.02 -0.25 -0.04 0.95 0.53 1jgvH1 TYR 122 H -0.09 0.76 0.31 -0.55 8.29 8.72 1jgvH1 TYR 122 HA 0.02 0.23 0.95 -0.75 4.56 5.00 1jgvH1 TYR 122 HB2 0.03 -0.08 0.12 -0.04 3.06 3.08 1jgvH1 TYR 122 HB3 0.03 0.08 0.00 -0.04 2.98 3.05 1jgvH1 TYR 122 HD2 0.02 0.03 -0.07 -0.04 7.15 7.09 1jgvH1 TYR 122 HE2 0.02 -0.01 -0.07 -0.04 6.85 6.75 1jgvH1 PRO 123 HA 0.12 0.13 0.65 -0.51 4.44 4.83 1jgvH1 PRO 123 HB2 0.12 -0.02 0.02 -0.04 2.28 2.36 1jgvH1 PRO 123 HB3 0.10 0.06 -0.02 -0.04 2.02 2.12 1jgvH1 PRO 123 HG2 0.10 -0.00 0.16 -0.04 2.03 2.25 1jgvH1 PRO 123 HG3 0.10 0.07 0.13 -0.04 2.03 2.30 1jgvH1 PRO 123 HD2 0.20 0.06 0.28 -0.04 3.68 4.18 1jgvH1 PRO 123 HD3 0.13 0.20 0.22 -0.04 3.65 4.16 1jgvH1 LEU 124 H 0.12 0.66 0.20 -0.55 8.37 8.81 1jgvH1 LEU 124 HA 0.06 0.17 0.86 -0.75 4.35 4.68 1jgvH1 LEU 124 HB2 0.07 -0.19 0.10 -0.04 1.64 1.59 1jgvH1 LEU 124 HB3 0.04 0.03 -0.07 -0.04 1.64 1.60 1jgvH1 LEU 124 HG 0.12 0.02 -0.46 -0.04 1.64 1.28 1jgvH1 LEU 124 HD13 0.08 -0.02 -0.18 -0.04 0.93 0.77 1jgvH1 LEU 124 HD23 0.07 0.05 -0.22 -0.04 0.89 0.75 1jgvH1 ALA 125 H 0.04 0.21 0.03 -0.55 8.40 8.13 1jgvH1 ALA 125 HA -0.12 0.15 0.80 -0.75 4.34 4.42 1jgvH1 ALA 125 HB3 0.14 -0.01 -0.04 -0.04 1.41 1.47 1jgvH1 PRO 126 HA -0.02 -0.01 0.39 -0.51 4.44 4.29 1jgvH1 PRO 126 HB2 0.11 -0.05 -0.05 -0.04 2.28 2.26 1jgvH1 PRO 126 HB3 0.00 0.05 0.06 -0.04 2.02 2.09 1jgvH1 PRO 126 HG2 -0.23 0.00 0.02 -0.04 2.03 1.78 1jgvH1 PRO 126 HG3 -0.22 0.37 0.16 -0.04 2.03 2.30 1jgvH1 PRO 126 HD2 -0.10 0.05 0.10 -0.04 3.68 3.68 1jgvH1 PRO 126 HD3 -0.44 0.15 0.26 -0.04 3.65 3.58 1jgvH1 VAL 127 H 0.02 0.07 0.14 -0.55 8.24 7.92 1jgvH1 VAL 127 HA 0.04 0.14 0.48 -0.75 4.13 4.04 1jgvH1 VAL 127 HB 0.02 -0.01 0.10 -0.04 2.12 2.19 1jgvH1 VAL 127 HG13 0.01 0.02 0.04 -0.04 0.97 1.00 1jgvH1 VAL 127 HG23 0.01 -0.01 -0.14 -0.04 0.95 0.77 1jgvH1 CYS 128 H 0.03 0.15 0.14 -0.55 8.50 8.27 1jgvH1 CYS 128 HA 0.05 0.04 0.45 -0.75 4.58 4.36 1jgvH1 CYS 128 HB2 0.03 0.03 0.16 -0.04 2.97 3.14 1jgvH1 CYS 128 HB3 0.02 0.01 0.21 -0.04 2.97 3.17 1jgvH1 GLY 129 H 0.04 0.14 0.22 -0.55 8.43 8.29 1jgvH1 GLY 129 HA2 0.03 0.01 0.35 -0.51 4.01 3.89 1jgvH1 GLY 129 HA3 0.02 0.27 0.92 -0.51 4.01 4.71 1jgvH1 ASP 130 H 0.04 0.48 -0.10 -0.55 8.40 8.28 1jgvH1 ASP 130 HA 0.02 0.19 0.89 -0.75 4.63 4.98 1jgvH1 ASP 130 HB2 0.02 0.02 0.09 -0.04 2.71 2.80 1jgvH1 ASP 130 HB3 0.01 0.00 0.25 -0.04 2.70 2.92 1jgvH1 THR 131 H 0.06 0.07 -0.31 -0.55 8.28 7.55 1jgvH1 THR 131 HA 0.11 0.25 0.93 -0.75 4.39 4.93 1jgvH1 THR 131 HB 0.19 0.11 0.15 -0.04 4.32 4.73 1jgvH1 THR 131 HG23 0.23 0.00 -0.11 -0.04 1.22 1.29 1jgvH1 THR 132 H 0.04 0.08 -0.13 -0.55 8.28 7.72 1jgvH1 THR 132 HA 0.04 0.35 1.04 -0.75 4.39 5.07 1jgvH1 THR 132 HB 0.02 0.01 0.19 -0.04 4.32 4.50 1jgvH1 THR 132 HG23 0.03 -0.02 -0.14 -0.04 1.22 1.04 1jgvH1 GLY 133 H 0.03 0.11 -0.20 -0.55 8.43 7.82 1jgvH1 GLY 133 HA2 0.01 0.15 0.66 -0.51 4.01 4.32 1jgvH1 GLY 133 HA3 0.01 0.02 0.35 -0.51 4.01 3.88 1jgvH1 SER 134 H 0.01 0.11 0.16 -0.55 8.46 8.19 1jgvH1 SER 134 HA 0.01 0.11 0.48 -0.75 4.49 4.33 1jgvH1 SER 134 HB2 0.00 -0.00 0.07 -0.04 3.95 3.98 1jgvH1 SER 134 HB3 0.01 0.02 0.13 -0.04 3.93 4.05 1jgvH1 SER 135 H 0.01 0.09 -0.06 -0.55 8.46 7.95 1jgvH1 SER 135 HA 0.00 0.10 0.95 -0.75 4.49 4.79 1jgvH1 SER 135 HB2 -0.02 0.11 -0.08 -0.04 3.95 3.91 1jgvH1 SER 135 HB3 -0.01 -0.05 -0.21 -0.04 3.93 3.63 1jgvH1 VAL 136 H -0.02 0.77 0.28 -0.55 8.24 8.71 1jgvH1 VAL 136 HA -0.02 0.16 0.92 -0.75 4.13 4.44 1jgvH1 VAL 136 HB 0.07 0.04 -0.10 -0.04 2.12 2.09 1jgvH1 VAL 136 HG13 0.05 0.01 -0.11 -0.04 0.97 0.89 1jgvH1 VAL 136 HG23 -0.04 0.04 -0.01 -0.04 0.95 0.90 1jgvH1 THR 137 H -0.09 0.20 0.20 -0.55 8.28 8.05 1jgvH1 THR 137 HA -0.18 0.30 1.20 -0.75 4.39 4.95 1jgvH1 THR 137 HB -0.06 -0.04 0.11 -0.04 4.32 4.28 1jgvH1 THR 137 HG23 -0.06 0.01 -0.15 -0.04 1.22 0.98 1jgvH1 LEU 138 H -0.34 0.69 0.45 -0.55 8.37 8.63 1jgvH1 LEU 138 HA -0.27 0.23 0.95 -0.75 4.35 4.51 1jgvH1 LEU 138 HB2 -0.57 -0.06 0.04 -0.04 1.64 1.01 1jgvH1 LEU 138 HB3 -0.35 0.04 0.16 -0.04 1.64 1.45 1jgvH1 LEU 138 HG -0.62 -0.02 -0.19 -0.04 1.64 0.78 1jgvH1 LEU 138 HD13 -1.06 -0.01 -0.05 -0.04 0.93 -0.23 1jgvH1 LEU 138 HD23 -1.10 0.05 -0.12 -0.04 0.89 -0.31 1jgvH1 GLY 139 H 0.00 0.59 0.38 -0.55 8.43 8.86 1jgvH1 GLY 139 HA2 0.26 0.26 1.10 -0.51 4.01 5.12 1jgvH1 GLY 139 HA3 0.13 -0.03 0.34 -0.51 4.01 3.95 1jgvH1 CYS 140 H 0.29 0.46 0.34 -0.55 8.50 9.04 1jgvH1 CYS 140 HA 0.12 0.26 0.87 -0.75 4.58 5.07 1jgvH1 CYS 140 HB2 -0.10 -0.02 -0.25 -0.04 2.97 2.57 1jgvH1 CYS 140 HB3 -0.03 -0.06 0.05 -0.04 2.97 2.89 1jgvH1 LEU 141 H 0.11 0.70 0.26 -0.55 8.37 8.90 1jgvH1 LEU 141 HA 0.10 0.18 1.03 -0.75 4.35 4.91 1jgvH1 LEU 141 HB2 0.13 -0.02 -0.03 -0.04 1.64 1.67 1jgvH1 LEU 141 HB3 0.25 -0.02 0.15 -0.04 1.64 1.98 1jgvH1 LEU 141 HG 0.19 -0.01 -0.23 -0.04 1.64 1.55 1jgvH1 LEU 141 HD13 0.09 0.04 -0.05 -0.04 0.93 0.97 1jgvH1 LEU 141 HD23 0.13 -0.01 -0.07 -0.04 0.89 0.90 1jgvH1 VAL 142 H 0.07 0.82 0.30 -0.55 8.24 8.88 1jgvH1 VAL 142 HA -0.08 0.24 0.86 -0.75 4.13 4.39 1jgvH1 VAL 142 HB 0.03 -0.08 0.12 -0.04 2.12 2.15 1jgvH1 VAL 142 HG13 -0.19 -0.00 -0.22 -0.04 0.97 0.52 1jgvH1 VAL 142 HG23 -0.09 0.00 -0.27 -0.04 0.95 0.56 1jgvH1 LYS 143 H -0.07 0.74 0.29 -0.55 8.42 8.83 1jgvH1 LYS 143 HA 0.13 0.14 1.15 -0.75 4.32 4.98 1jgvH1 LYS 143 HB2 0.16 -0.04 -0.17 -0.04 1.87 1.77 1jgvH1 LYS 143 HB3 0.13 0.03 0.06 -0.04 1.79 1.97 1jgvH1 LYS 143 HG2 0.10 0.04 -0.15 -0.04 1.46 1.41 1jgvH1 LYS 143 HG3 0.09 -0.03 0.01 -0.04 1.46 1.49 1jgvH1 LYS 143 HD2 0.16 -0.02 -0.08 -0.04 1.69 1.71 1jgvH1 LYS 143 HD3 0.26 0.01 -0.07 -0.04 1.68 1.83 1jgvH1 LYS 143 HE2 0.06 -0.01 -0.06 -0.04 2.99 2.94 1jgvH1 LYS 143 HE3 0.06 -0.02 -0.06 -0.04 2.99 2.94 1jgvH1 GLY 144 H 0.05 0.24 0.17 -0.55 8.43 8.34 1jgvH1 GLY 144 HA2 0.00 0.00 0.29 -0.51 4.01 3.80 1jgvH1 GLY 144 HA3 0.04 0.03 0.42 -0.51 4.01 3.99 1jgvH1 TYR 145 H -0.08 0.35 0.10 -0.55 8.29 8.10 1jgvH1 TYR 145 HA -0.02 0.43 0.83 -0.75 4.56 5.05 1jgvH1 TYR 145 HB2 -0.55 0.10 -0.02 -0.04 3.06 2.56 1jgvH1 TYR 145 HB3 -0.22 -0.07 -0.27 -0.04 2.98 2.39 1jgvH1 TYR 145 HD2 -0.06 0.10 -0.39 -0.04 7.15 6.75 1jgvH1 TYR 145 HE2 -0.06 -0.05 -0.27 -0.04 6.85 6.42 1jgvH1 PHE 146 H 0.28 0.64 0.24 -0.55 8.34 8.95 1jgvH1 PHE 146 HA 0.28 -0.08 0.42 -0.75 4.62 4.48 1jgvH1 PHE 146 HB2 0.03 0.06 -0.15 -0.04 3.15 3.05 1jgvH1 PHE 146 HB3 0.09 0.16 -0.06 -0.04 3.06 3.20 1jgvH1 PHE 146 HD2 0.05 0.02 -0.33 -0.04 7.28 6.97 1jgvH1 PHE 146 HE2 0.07 0.00 -0.14 -0.04 7.38 7.27 1jgvH1 PHE 146 HZ 0.07 -0.03 -0.13 -0.04 7.32 7.18 1jgvH1 PRO 147 HA -0.98 0.05 0.29 -0.51 4.44 3.28 1jgvH1 PRO 147 HB2 -0.50 0.00 0.10 -0.04 2.28 1.84 1jgvH1 PRO 147 HB3 -1.30 0.01 0.01 -0.04 2.02 0.70 1jgvH1 PRO 147 HG2 -0.15 0.25 -0.14 -0.04 2.03 1.95 1jgvH1 PRO 147 HG3 -0.15 -0.00 0.01 -0.04 2.03 1.85 1jgvH1 PRO 147 HD2 0.01 0.03 0.28 -0.04 3.68 3.96 1jgvH1 PRO 147 HD3 0.06 0.08 0.07 -0.04 3.65 3.81 1jgvH1 GLU 148 H -0.37 0.05 0.07 -0.55 8.60 7.80 1jgvH1 GLU 148 HA 0.03 0.04 0.41 -0.75 4.29 4.01 1jgvH1 GLU 148 HB2 -0.27 -0.02 0.05 -0.04 2.09 1.81 1jgvH1 GLU 148 HB3 -0.17 0.03 0.03 -0.04 1.99 1.84 1jgvH1 GLU 148 HG2 -1.48 -0.03 -0.04 -0.04 2.34 0.74 1jgvH1 GLU 148 HG3 -0.69 0.02 -0.02 -0.04 2.34 1.62 1jgvH1 PRO 149 HA 0.01 -0.01 0.36 -0.51 4.44 4.29 1jgvH1 PRO 149 HB2 -0.04 0.12 0.13 -0.04 2.28 2.45 1jgvH1 PRO 149 HB3 -0.05 -0.01 0.05 -0.04 2.02 1.97 1jgvH1 PRO 149 HG2 -0.04 0.04 -0.17 -0.04 2.03 1.82 1jgvH1 PRO 149 HG3 -0.04 0.02 -0.02 -0.04 2.03 1.95 1jgvH1 PRO 149 HD2 -0.06 0.03 0.29 -0.04 3.68 3.90 1jgvH1 PRO 149 HD3 -0.06 0.11 0.02 -0.04 3.65 3.68 1jgvH1 VAL 150 H -0.07 0.21 0.21 -0.55 8.24 8.03 1jgvH1 VAL 150 HA -0.06 0.30 0.96 -0.75 4.13 4.57 1jgvH1 VAL 150 HB -0.27 0.04 -0.03 -0.04 2.12 1.82 1jgvH1 VAL 150 HG13 -0.83 -0.02 -0.21 -0.04 0.97 -0.13 1jgvH1 VAL 150 HG23 -0.26 -0.03 -0.16 -0.04 0.95 0.46 1jgvH1 THR 151 H -0.10 0.66 0.34 -0.55 8.28 8.64 1jgvH1 THR 151 HA -0.07 0.17 0.96 -0.75 4.39 4.69 1jgvH1 THR 151 HB -0.07 -0.07 0.16 -0.04 4.32 4.31 1jgvH1 THR 151 HG23 -0.06 0.00 -0.17 -0.04 1.22 0.96 1jgvH1 LEU 152 H -0.09 0.22 0.12 -0.55 8.37 8.07 1jgvH1 LEU 152 HA -0.19 0.51 1.22 -0.75 4.35 5.14 1jgvH1 LEU 152 HB2 -0.16 -0.05 -0.15 -0.04 1.64 1.24 1jgvH1 LEU 152 HB3 -0.12 -0.02 0.03 -0.04 1.64 1.49 1jgvH1 LEU 152 HG -0.40 0.07 -0.09 -0.04 1.64 1.17 1jgvH1 LEU 152 HD13 -0.17 -0.01 -0.21 -0.04 0.93 0.50 1jgvH1 LEU 152 HD23 -0.48 -0.01 -0.43 -0.04 0.89 -0.07 1jgvH1 THR 153 H -0.25 0.56 0.35 -0.55 8.28 8.40 1jgvH1 THR 153 HA -0.07 0.24 0.79 -0.75 4.39 4.59 1jgvH1 THR 153 HB -0.01 -0.06 -0.05 -0.04 4.32 4.16 1jgvH1 THR 153 HG23 -0.04 0.03 -0.29 -0.04 1.22 0.88 1jgvH1 TRP 154 H 0.16 0.34 0.17 -0.55 7.97 8.09 1jgvH1 TRP 154 HA -0.01 0.32 1.03 -0.75 4.62 5.20 1jgvH1 TRP 154 HB2 -0.03 0.25 0.12 -0.04 3.23 3.53 1jgvH1 TRP 154 HB3 -0.02 -0.03 -0.02 -0.04 3.23 3.12 1jgvH1 TRP 154 HD1 -0.03 0.04 -0.17 -0.04 7.22 7.01 1jgvH1 TRP 154 HE1 -0.01 -0.01 -0.35 -0.04 10.20 9.79 1jgvH1 TRP 154 HE3 -0.02 -0.04 -0.27 -0.04 7.59 7.22 1jgvH1 TRP 154 HZ2 0.00 0.16 -0.37 -0.04 7.44 7.19 1jgvH1 TRP 154 HZ3 -0.04 -0.00 -0.28 -0.04 7.13 6.76 1jgvH1 TRP 154 HH2 -0.03 0.09 -0.50 -0.04 7.19 6.70 1jgvH1 ASN 155 H 0.21 0.68 0.29 -0.55 8.53 9.16 1jgvH1 ASN 155 HA 0.10 0.07 0.33 -0.75 4.76 4.50 1jgvH1 ASN 155 HB2 0.13 0.01 -0.17 -0.04 2.88 2.81 1jgvH1 ASN 155 HB3 0.08 0.03 0.23 -0.04 2.79 3.09 1jgvH1 ASN 155 HD21 0.10 0.33 0.10 -0.04 7.03 7.52 1jgvH1 ASN 155 HD22 0.07 -0.04 -0.01 -0.04 7.74 7.73 1jgvH1 SER 156 H 0.03 0.12 -0.37 -0.55 8.46 7.69 1jgvH1 SER 156 HA -0.01 0.03 0.14 -0.75 4.49 3.90 1jgvH1 SER 156 HB2 0.02 0.20 -0.06 -0.04 3.95 4.07 1jgvH1 SER 156 HB3 0.01 0.03 0.12 -0.04 3.93 4.05 1jgvH1 GLY 157 H 0.06 0.44 -0.60 -0.55 8.43 7.79 1jgvH1 GLY 157 HA2 0.04 -0.02 0.26 -0.51 4.01 3.78 1jgvH1 GLY 157 HA3 0.02 0.21 0.77 -0.51 4.01 4.50 1jgvH1 SER 158 H 0.04 0.41 -0.18 -0.55 8.46 8.20 1jgvH1 SER 158 HA 0.02 0.06 0.41 -0.75 4.49 4.23 1jgvH1 SER 158 HB2 0.03 -0.05 0.08 -0.04 3.95 3.97 1jgvH1 SER 158 HB3 0.03 0.02 0.09 -0.04 3.93 4.03 1jgvH1 LEU 159 H 0.09 0.27 -0.21 -0.55 8.37 7.96 1jgvH1 LEU 159 HA 0.02 0.08 0.72 -0.75 4.35 4.41 1jgvH1 LEU 159 HB2 0.08 -0.03 -0.07 -0.04 1.64 1.58 1jgvH1 LEU 159 HB3 0.17 -0.05 -0.01 -0.04 1.64 1.70 1jgvH1 LEU 159 HG -0.08 0.07 -0.19 -0.04 1.64 1.40 1jgvH1 LEU 159 HD13 -0.03 -0.00 -0.02 -0.04 0.93 0.84 1jgvH1 LEU 159 HD23 -0.06 -0.02 -0.11 -0.04 0.89 0.66 1jgvH1 SER 160 H 0.00 0.08 0.11 -0.55 8.46 8.12 1jgvH1 SER 160 HA 0.04 0.20 0.97 -0.75 4.49 4.95 1jgvH1 SER 160 HB2 -0.00 -0.03 0.03 -0.04 3.95 3.90 1jgvH1 SER 160 HB3 0.02 0.16 -0.09 -0.04 3.93 3.98 1jgvH1 SER 161 H -0.03 0.01 0.17 -0.55 8.46 8.07 1jgvH1 SER 161 HA -0.07 0.10 0.65 -0.75 4.49 4.42 1jgvH1 SER 161 HB2 -0.05 0.01 0.09 -0.04 3.95 3.97 1jgvH1 SER 161 HB3 -0.03 0.02 0.14 -0.04 3.93 4.01 1jgvH1 GLY 162 H -0.13 0.14 0.21 -0.55 8.43 8.11 1jgvH1 GLY 162 HA2 -0.15 -0.00 0.33 -0.51 4.01 3.68 1jgvH1 GLY 162 HA3 -0.13 0.16 0.52 -0.51 4.01 4.06 1jgvH1 VAL 163 H -0.21 0.16 -0.15 -0.55 8.24 7.50 1jgvH1 VAL 163 HA -0.21 0.30 1.01 -0.75 4.13 4.48 1jgvH1 VAL 163 HB -0.04 0.09 0.06 -0.04 2.12 2.18 1jgvH1 VAL 163 HG13 0.22 -0.01 -0.17 -0.04 0.97 0.96 1jgvH1 VAL 163 HG23 -0.10 0.02 -0.32 -0.04 0.95 0.51 1jgvH1 HIS 164 H 0.03 0.64 0.26 -0.55 8.41 8.79 1jgvH1 HIS 164 HA -0.18 0.16 0.82 -0.75 4.63 4.67 1jgvH1 HIS 164 HB2 -0.02 -0.06 0.13 -0.04 3.26 3.27 1jgvH1 HIS 164 HB3 -0.60 0.02 -0.03 -0.04 3.20 2.54 1jgvH1 HIS 164 HD2 0.01 -0.00 -0.19 -0.04 6.97 6.74 1jgvH1 HIS 164 HE1 -0.04 -0.03 -0.03 -0.04 7.75 7.61 1jgvH1 THR 165 H -0.12 0.23 0.11 -0.55 8.28 7.96 1jgvH1 THR 165 HA 0.10 0.16 1.09 -0.75 4.39 4.99 1jgvH1 THR 165 HB -0.01 -0.02 0.14 -0.04 4.32 4.39 1jgvH1 THR 165 HG23 0.04 0.02 -0.07 -0.04 1.22 1.16 1jgvH1 PHE 166 H 0.35 0.59 0.32 -0.55 8.34 9.05 1jgvH1 PHE 166 HA 0.06 0.17 0.82 -0.75 4.62 4.91 1jgvH1 PHE 166 HB2 0.06 -0.09 0.11 -0.04 3.15 3.20 1jgvH1 PHE 166 HB3 0.05 0.08 0.08 -0.04 3.06 3.22 1jgvH1 PHE 166 HD2 0.06 0.08 -0.09 -0.04 7.28 7.29 1jgvH1 PHE 166 HE2 0.03 -0.02 -0.07 -0.04 7.38 7.28 1jgvH1 PHE 166 HZ -0.04 -0.02 -0.08 -0.04 7.32 7.14 1jgvH1 PRO 167 HA 0.08 -0.02 0.49 -0.51 4.44 4.48 1jgvH1 PRO 167 HB2 0.10 0.05 0.06 -0.04 2.28 2.44 1jgvH1 PRO 167 HB3 0.07 0.02 0.13 -0.04 2.02 2.19 1jgvH1 PRO 167 HG2 0.08 0.03 0.11 -0.04 2.03 2.20 1jgvH1 PRO 167 HG3 0.05 0.04 0.12 -0.04 2.03 2.20 1jgvH1 PRO 167 HD2 0.21 0.08 0.21 -0.04 3.68 4.14 1jgvH1 PRO 167 HD3 0.09 0.15 0.28 -0.04 3.65 4.13 1jgvH1 ALA 168 H 0.09 0.01 0.20 -0.55 8.40 8.15 1jgvH1 ALA 168 HA 0.15 0.25 0.59 -0.75 4.34 4.58 1jgvH1 ALA 168 HB3 0.14 -0.04 0.03 -0.04 1.41 1.50 1jgvH1 VAL 169 H 0.13 0.58 0.44 -0.55 8.24 8.84 1jgvH1 VAL 169 HA 0.10 0.15 0.86 -0.75 4.13 4.48 1jgvH1 VAL 169 HB 0.04 -0.00 0.07 -0.04 2.12 2.19 1jgvH1 VAL 169 HG13 0.06 0.03 -0.11 -0.04 0.97 0.91 1jgvH1 VAL 169 HG23 0.05 0.03 -0.03 -0.04 0.95 0.95 1jgvH1 LEU 170 H 0.02 0.13 0.13 -0.55 8.37 8.10 1jgvH1 LEU 170 HA -0.21 0.23 0.64 -0.75 4.35 4.25 1jgvH1 LEU 170 HB2 -0.05 -0.01 0.13 -0.04 1.64 1.67 1jgvH1 LEU 170 HB3 -0.12 -0.10 -0.09 -0.04 1.64 1.29 1jgvH1 LEU 170 HG -0.13 -0.01 -0.06 -0.04 1.64 1.40 1jgvH1 LEU 170 HD13 -0.74 -0.00 -0.35 -0.04 0.93 -0.21 1jgvH1 LEU 170 HD23 0.07 -0.01 -0.14 -0.04 0.89 0.78 1jgvH1 GLN 171 H -0.14 1.09 0.25 -0.55 8.47 9.12 1jgvH1 GLN 171 HA -0.04 0.07 0.75 -0.75 4.36 4.39 1jgvH1 GLN 171 HB2 -0.01 0.04 -0.21 -0.04 2.15 1.92 1jgvH1 GLN 171 HB3 -0.03 0.01 0.05 -0.04 2.02 2.02 1jgvH1 GLN 171 HG2 -0.01 -0.00 -0.15 -0.04 2.40 2.19 1jgvH1 GLN 171 HG3 -0.01 -0.00 0.02 -0.04 2.39 2.35 1jgvH1 GLN 171 HE21 0.02 0.00 -0.05 -0.04 6.97 6.90 1jgvH1 GLN 171 HE22 0.00 -0.01 -0.05 -0.04 7.69 7.60 1jgvH1 SER 172 H -0.05 0.16 0.09 -0.55 8.46 8.11 1jgvH1 SER 172 HA -0.05 0.03 0.33 -0.75 4.49 4.05 1jgvH1 SER 172 HB2 -0.04 0.24 0.11 -0.04 3.95 4.22 1jgvH1 SER 172 HB3 -0.04 0.02 0.20 -0.04 3.93 4.06 1jgvH1 ASP 173 H -0.10 0.05 -0.12 -0.55 8.40 7.68 1jgvH1 ASP 173 HA -0.15 -0.02 0.24 -0.75 4.63 3.94 1jgvH1 ASP 173 HB2 -0.12 0.20 -0.28 -0.04 2.71 2.47 1jgvH1 ASP 173 HB3 -0.19 -0.05 0.15 -0.04 2.70 2.57 1jgvH1 LEU 174 H -0.14 0.28 -1.01 -0.55 8.37 6.96 1jgvH1 LEU 174 HA -0.13 0.20 0.83 -0.75 4.35 4.49 1jgvH1 LEU 174 HB2 -0.07 0.12 0.04 -0.04 1.64 1.68 1jgvH1 LEU 174 HB3 -0.05 -0.07 -0.05 -0.04 1.64 1.42 1jgvH1 LEU 174 HG -0.09 0.08 -0.18 -0.04 1.64 1.41 1jgvH1 LEU 174 HD13 -0.01 0.02 -0.06 -0.04 0.93 0.84 1jgvH1 LEU 174 HD23 -0.02 0.01 -0.20 -0.04 0.89 0.64 1jgvH1 TYR 175 H -0.22 0.74 0.26 -0.55 8.29 8.52 1jgvH1 TYR 175 HA -0.18 0.24 0.84 -0.75 4.56 4.71 1jgvH1 TYR 175 HB2 -1.63 0.06 -0.01 -0.04 3.06 1.43 1jgvH1 TYR 175 HB3 -0.56 -0.02 -0.07 -0.04 2.98 2.28 1jgvH1 TYR 175 HD2 -0.16 0.12 -0.16 -0.04 7.15 6.91 1jgvH1 TYR 175 HE2 -0.09 -0.02 -0.08 -0.04 6.85 6.61 1jgvH1 THR 176 H 0.06 0.56 0.40 -0.55 8.28 8.76 1jgvH1 THR 176 HA 0.16 0.30 1.05 -0.75 4.39 5.13 1jgvH1 THR 176 HB 0.05 0.00 0.08 -0.04 4.32 4.41 1jgvH1 THR 176 HG23 0.08 0.00 -0.15 -0.04 1.22 1.12 1jgvH1 LEU 177 H 0.20 0.80 0.39 -0.55 8.37 9.22 1jgvH1 LEU 177 HA 0.16 0.19 0.76 -0.75 4.35 4.70 1jgvH1 LEU 177 HB2 0.22 -0.05 -0.10 -0.04 1.64 1.67 1jgvH1 LEU 177 HB3 0.20 -0.03 0.02 -0.04 1.64 1.79 1jgvH1 LEU 177 HG 0.13 0.29 0.07 -0.04 1.64 2.09 1jgvH1 LEU 177 HD13 0.04 -0.04 -0.06 -0.04 0.93 0.83 1jgvH1 LEU 177 HD23 0.04 -0.03 -0.37 -0.04 0.89 0.49 1jgvH1 SER 178 H 0.20 0.30 0.23 -0.55 8.46 8.64 1jgvH1 SER 178 HA 0.13 0.29 1.02 -0.75 4.49 5.18 1jgvH1 SER 178 HB2 0.11 0.02 0.12 -0.04 3.95 4.15 1jgvH1 SER 178 HB3 0.07 -0.01 -0.07 -0.04 3.93 3.88 1jgvH1 SER 179 H 0.24 0.48 0.38 -0.55 8.46 9.01 1jgvH1 SER 179 HA 0.39 0.27 0.93 -0.75 4.49 5.33 1jgvH1 SER 179 HB2 0.16 0.01 -0.11 -0.04 3.95 3.96 1jgvH1 SER 179 HB3 0.22 -0.06 -0.02 -0.04 3.93 4.04 1jgvH1 SER 180 H 0.35 0.60 0.38 -0.55 8.46 9.24 1jgvH1 SER 180 HA 0.14 0.29 1.18 -0.75 4.49 5.34 1jgvH1 SER 180 HB2 0.05 0.06 0.08 -0.04 3.95 4.11 1jgvH1 SER 180 HB3 0.22 -0.06 -0.02 -0.04 3.93 4.03 1jgvH1 VAL 181 H -0.40 0.65 0.35 -0.55 8.24 8.29 1jgvH1 VAL 181 HA -0.40 0.30 0.82 -0.75 4.13 4.10 1jgvH1 VAL 181 HB -2.03 -0.02 -0.20 -0.04 2.12 -0.17 1jgvH1 VAL 181 HG13 -1.29 -0.02 -0.12 -0.04 0.97 -0.49 1jgvH1 VAL 181 HG23 -0.50 0.01 -0.21 -0.04 0.95 0.21 1jgvH1 THR 182 H -0.22 0.52 0.23 -0.55 8.28 8.25 1jgvH1 THR 182 HA -0.17 0.28 1.14 -0.75 4.39 4.88 1jgvH1 THR 182 HB -0.08 -0.01 0.14 -0.04 4.32 4.33 1jgvH1 THR 182 HG23 -0.05 -0.02 -0.21 -0.04 1.22 0.90 1jgvH1 VAL 183 H -0.12 0.66 0.34 -0.55 8.24 8.58 1jgvH1 VAL 183 HA -0.06 0.17 0.91 -0.75 4.13 4.39 1jgvH1 VAL 183 HB -0.02 -0.06 0.10 -0.04 2.12 2.09 1jgvH1 VAL 183 HG13 -0.14 0.00 -0.27 -0.04 0.97 0.53 1jgvH1 VAL 183 HG23 -0.04 0.05 -0.13 -0.04 0.95 0.78 1jgvH1 THR 184 H -0.01 0.12 0.17 -0.55 8.28 8.02 1jgvH1 THR 184 HA 0.00 0.16 0.58 -0.75 4.39 4.38 1jgvH1 THR 184 HB 0.01 0.03 0.14 -0.04 4.32 4.47 1jgvH1 THR 184 HG23 -0.00 0.02 0.09 -0.04 1.22 1.29 1jgvH1 SER 185 H 0.02 0.65 0.29 -0.55 8.46 8.88 1jgvH1 SER 185 HA 0.08 0.04 0.25 -0.75 4.49 4.11 1jgvH1 SER 185 HB2 0.04 0.08 -0.30 -0.04 3.95 3.72 1jgvH1 SER 185 HB3 0.03 -0.08 0.06 -0.04 3.93 3.90 1jgvH1 SER 186 H 0.03 0.01 -0.27 -0.55 8.46 7.69 1jgvH1 SER 186 HA 0.03 0.17 0.48 -0.75 4.49 4.41 1jgvH1 SER 186 HB2 0.01 0.01 0.05 -0.04 3.95 3.98 1jgvH1 SER 186 HB3 0.02 -0.00 0.04 -0.04 3.93 3.95 1jgvH1 THR 187 H 0.06 0.38 -0.30 -0.55 8.28 7.87 1jgvH1 THR 187 HA 0.05 0.02 0.40 -0.75 4.39 4.10 1jgvH1 THR 187 HB 0.09 0.15 0.10 -0.04 4.32 4.61 1jgvH1 THR 187 HG23 0.09 -0.00 -0.19 -0.04 1.22 1.07 1jgvH1 TRP 188 H 0.26 0.22 -0.07 -0.55 7.97 7.84 1jgvH1 TRP 188 HA -0.00 0.20 0.77 -0.75 4.62 4.84 1jgvH1 TRP 188 HB2 -0.02 -0.04 -0.05 -0.04 3.23 3.08 1jgvH1 TRP 188 HB3 -0.02 0.01 0.02 -0.04 3.23 3.19 1jgvH1 TRP 188 HD1 0.02 0.05 0.07 -0.04 7.22 7.32 1jgvH1 TRP 188 HE1 0.04 0.50 0.18 -0.04 10.20 10.88 1jgvH1 TRP 188 HE3 -0.01 0.03 -0.19 -0.04 7.59 7.38 1jgvH1 TRP 188 HZ2 0.03 -0.07 -0.48 -0.04 7.44 6.87 1jgvH1 TRP 188 HZ3 0.00 -0.04 -0.06 -0.04 7.13 6.99 1jgvH1 TRP 188 HH2 0.02 -0.08 -0.13 -0.04 7.19 6.96 1jgvH1 PRO 189 HA -0.94 0.16 0.36 -0.51 4.44 3.52 1jgvH1 PRO 189 HB2 -0.65 0.02 0.11 -0.04 2.28 1.72 1jgvH1 PRO 189 HB3 -2.12 0.01 0.10 -0.04 2.02 -0.03 1jgvH1 PRO 189 HG2 -0.42 0.03 -0.06 -0.04 2.03 1.55 1jgvH1 PRO 189 HG3 -0.66 -0.02 0.06 -0.04 2.03 1.36 1jgvH1 PRO 189 HD2 -0.34 0.12 0.43 -0.04 3.68 3.85 1jgvH1 PRO 189 HD3 -0.91 0.07 -0.01 -0.04 3.65 2.75 1jgvH1 SER 190 H -0.14 0.21 -0.20 -0.55 8.46 7.77 1jgvH1 SER 190 HA -0.09 -0.01 0.40 -0.75 4.49 4.03 1jgvH1 SER 190 HB2 -0.06 -0.02 0.06 -0.04 3.95 3.89 1jgvH1 SER 190 HB3 -0.02 0.18 0.07 -0.04 3.93 4.11 1jgvH1 GLN 191 H 0.02 0.61 0.09 -0.55 8.47 8.64 1jgvH1 GLN 191 HA 0.03 0.06 0.79 -0.75 4.36 4.49 1jgvH1 GLN 191 HB2 0.07 0.25 0.10 -0.04 2.15 2.53 1jgvH1 GLN 191 HB3 0.08 -0.01 -0.09 -0.04 2.02 1.96 1jgvH1 GLN 191 HG2 0.04 -0.06 0.01 -0.04 2.40 2.35 1jgvH1 GLN 191 HG3 0.03 0.01 0.03 -0.04 2.39 2.41 1jgvH1 GLN 191 HE21 0.02 -0.03 -0.03 -0.04 6.97 6.90 1jgvH1 GLN 191 HE22 0.03 -0.04 -0.01 -0.04 7.69 7.63 1jgvH1 SER 192 H 0.07 0.07 0.10 -0.55 8.46 8.15 1jgvH1 SER 192 HA 0.20 0.19 0.56 -0.75 4.49 4.69 1jgvH1 SER 192 HB2 0.12 -0.02 -0.01 -0.04 3.95 4.01 1jgvH1 SER 192 HB3 0.08 0.06 0.04 -0.04 3.93 4.07 1jgvH1 ILE 193 H 0.30 0.32 0.21 -0.55 8.25 8.53 1jgvH1 ILE 193 HA 0.18 0.10 0.79 -0.75 4.18 4.49 1jgvH1 ILE 193 HB 0.08 0.05 0.15 -0.04 1.89 2.13 1jgvH1 ILE 193 HG12 0.33 0.10 -0.38 -0.04 1.49 1.50 1jgvH1 ILE 193 HG13 -0.10 -0.01 -0.11 -0.04 1.21 0.96 1jgvH1 ILE 193 HG23 0.03 -0.01 -0.16 -0.04 0.93 0.75 1jgvH1 ILE 193 HD13 0.03 0.03 -0.10 -0.04 0.88 0.80 1jgvH1 THR 194 H 0.26 0.12 0.15 -0.55 8.28 8.27 1jgvH1 THR 194 HA 0.17 0.30 1.05 -0.75 4.39 5.15 1jgvH1 THR 194 HB 0.09 -0.13 -0.03 -0.04 4.32 4.21 1jgvH1 THR 194 HG23 0.02 0.02 -0.42 -0.04 1.22 0.80 1jgvH1 CYS 195 H -0.03 0.80 0.29 -0.55 8.50 9.01 1jgvH1 CYS 195 HA -0.90 0.17 0.81 -0.75 4.58 3.91 1jgvH1 CYS 195 HB2 -0.72 0.02 -0.01 -0.04 2.97 2.22 1jgvH1 CYS 195 HB3 -0.25 0.01 0.16 -0.04 2.97 2.84 1jgvH1 ASN 196 H -0.37 0.71 0.32 -0.55 8.53 8.64 1jgvH1 ASN 196 HA -0.13 0.24 1.00 -0.75 4.76 5.11 1jgvH1 ASN 196 HB2 -0.12 -0.07 0.04 -0.04 2.88 2.69 1jgvH1 ASN 196 HB3 -0.08 0.07 -0.06 -0.04 2.79 2.67 1jgvH1 ASN 196 HD21 -0.01 -0.06 -0.24 -0.04 7.03 6.68 1jgvH1 ASN 196 HD22 -0.05 0.11 -0.22 -0.04 7.74 7.54 1jgvH1 VAL 197 H -0.13 0.83 0.32 -0.55 8.24 8.71 1jgvH1 VAL 197 HA -0.16 0.34 1.12 -0.75 4.13 4.67 1jgvH1 VAL 197 HB -0.14 0.00 0.06 -0.04 2.12 2.00 1jgvH1 VAL 197 HG13 -0.19 -0.01 -0.27 -0.04 0.97 0.45 1jgvH1 VAL 197 HG23 -0.21 -0.01 -0.33 -0.04 0.95 0.35 1jgvH1 ALA 198 H -0.11 0.62 0.34 -0.55 8.40 8.71 1jgvH1 ALA 198 HA -0.05 0.29 1.07 -0.75 4.34 4.89 1jgvH1 ALA 198 HB3 -0.05 -0.02 0.04 -0.04 1.41 1.34 1jgvH1 HIS 199 H 0.02 0.70 0.17 -0.55 8.41 8.76 1jgvH1 HIS 199 HA -0.12 0.27 0.96 -0.75 4.63 4.98 1jgvH1 HIS 199 HB2 -0.14 0.01 -0.09 -0.04 3.26 3.00 1jgvH1 HIS 199 HB3 -0.06 -0.06 0.17 -0.04 3.20 3.21 1jgvH1 HIS 199 HD2 -0.12 0.25 -0.01 -0.04 6.97 7.04 1jgvH1 HIS 199 HE1 0.11 0.19 -0.19 -0.04 7.75 7.82 1jgvH1 PRO 200 HA -0.10 0.03 0.38 -0.51 4.44 4.24 1jgvH1 PRO 200 HB2 -0.14 0.03 0.08 -0.04 2.28 2.21 1jgvH1 PRO 200 HB3 -0.09 0.03 0.03 -0.04 2.02 1.95 1jgvH1 PRO 200 HG2 -0.07 0.06 -0.02 -0.04 2.03 1.96 1jgvH1 PRO 200 HG3 -0.07 0.00 -0.02 -0.04 2.03 1.91 1jgvH1 PRO 200 HD2 -0.10 0.39 0.16 -0.04 3.68 4.09 1jgvH1 PRO 200 HD3 -0.06 0.14 -0.21 -0.04 3.65 3.48 1jgvH1 ALA 201 H -0.42 0.22 -0.15 -0.55 8.40 7.50 1jgvH1 ALA 201 HA -0.14 0.03 0.33 -0.75 4.34 3.79 1jgvH1 ALA 201 HB3 -0.33 0.02 0.02 -0.04 1.41 1.08 1jgvH1 SER 202 H -0.31 0.20 -0.33 -0.55 8.46 7.46 1jgvH1 SER 202 HA 0.00 0.19 0.79 -0.75 4.49 4.72 1jgvH1 SER 202 HB2 0.09 -0.01 0.08 -0.04 3.95 4.07 1jgvH1 SER 202 HB3 0.17 -0.00 -0.15 -0.04 3.93 3.91 1jgvH1 SER 203 H -0.08 0.63 -0.18 -0.55 8.46 8.29 1jgvH1 SER 203 HA -0.04 -0.02 0.29 -0.75 4.49 3.97 1jgvH1 SER 203 HB2 -0.01 0.13 -0.09 -0.04 3.95 3.93 1jgvH1 SER 203 HB3 -0.01 -0.08 0.19 -0.04 3.93 3.98 1jgvH1 THR 204 H 0.00 0.27 -0.22 -0.55 8.28 7.78 1jgvH1 THR 204 HA 0.00 0.22 0.99 -0.75 4.39 4.85 1jgvH1 THR 204 HB 0.01 0.00 -0.06 -0.04 4.32 4.23 1jgvH1 THR 204 HG23 0.04 0.08 -0.13 -0.04 1.22 1.17 1jgvH1 LYS 205 H -0.01 0.29 0.12 -0.55 8.42 8.26 1jgvH1 LYS 205 HA -0.04 0.23 0.94 -0.75 4.32 4.69 1jgvH1 LYS 205 HB2 -0.03 0.00 -0.12 -0.04 1.87 1.68 1jgvH1 LYS 205 HB3 -0.02 -0.01 0.11 -0.04 1.79 1.83 1jgvH1 LYS 205 HG2 -0.03 -0.03 -0.10 -0.04 1.46 1.26 1jgvH1 LYS 205 HG3 -0.03 -0.02 -0.30 -0.04 1.46 1.06 1jgvH1 LYS 205 HD2 -0.05 0.16 -0.21 -0.04 1.69 1.55 1jgvH1 LYS 205 HD3 -0.04 -0.02 -0.09 -0.04 1.68 1.49 1jgvH1 LYS 205 HE2 -0.03 -0.00 -0.13 -0.04 2.99 2.77 1jgvH1 LYS 205 HE3 -0.05 -0.05 -0.21 -0.04 2.99 2.65 1jgvH1 VAL 206 H -0.06 0.80 0.28 -0.55 8.24 8.71 1jgvH1 VAL 206 HA -0.04 0.19 1.07 -0.75 4.13 4.59 1jgvH1 VAL 206 HB -0.09 -0.02 0.08 -0.04 2.12 2.06 1jgvH1 VAL 206 HG13 -0.06 -0.01 -0.17 -0.04 0.97 0.69 1jgvH1 VAL 206 HG23 -0.05 0.01 -0.14 -0.04 0.95 0.73 1jgvH1 ASP 207 H -0.03 0.25 0.17 -0.55 8.40 8.24 1jgvH1 ASP 207 HA -0.07 0.28 1.03 -0.75 4.63 5.12 1jgvH1 ASP 207 HB2 -0.01 0.01 0.09 -0.04 2.71 2.76 1jgvH1 ASP 207 HB3 -0.01 -0.03 -0.08 -0.04 2.70 2.53 1jgvH1 LYS 208 H -0.07 0.72 0.25 -0.55 8.42 8.76 1jgvH1 LYS 208 HA 0.01 0.18 1.04 -0.75 4.32 4.80 1jgvH1 LYS 208 HB2 -0.04 -0.00 -0.13 -0.04 1.87 1.65 1jgvH1 LYS 208 HB3 -0.02 -0.09 0.02 -0.04 1.79 1.66 1jgvH1 LYS 208 HG2 0.04 0.01 -0.12 -0.04 1.46 1.35 1jgvH1 LYS 208 HG3 0.06 0.09 -0.05 -0.04 1.46 1.52 1jgvH1 LYS 208 HD2 0.02 0.01 0.17 -0.04 1.69 1.85 1jgvH1 LYS 208 HD3 0.00 0.03 0.02 -0.04 1.68 1.69 1jgvH1 LYS 208 HE2 0.08 0.03 0.13 -0.04 2.99 3.19 1jgvH1 LYS 208 HE3 0.06 -0.01 0.10 -0.04 2.99 3.11 1jgvH1 LYS 209 H 0.06 0.19 0.13 -0.55 8.42 8.24 1jgvH1 LYS 209 HA 0.13 0.07 0.74 -0.75 4.32 4.51 1jgvH1 LYS 209 HB2 0.09 0.00 0.07 -0.04 1.87 2.00 1jgvH1 LYS 209 HB3 0.13 0.07 -0.02 -0.04 1.79 1.93 1jgvH1 LYS 209 HG2 0.08 -0.03 -0.08 -0.04 1.46 1.39 1jgvH1 LYS 209 HG3 0.06 -0.03 -0.04 -0.04 1.46 1.41 1jgvH1 LYS 209 HD2 0.05 -0.01 -0.03 -0.04 1.69 1.65 1jgvH1 LYS 209 HD3 0.06 0.02 -0.00 -0.04 1.68 1.71 1jgvH1 LYS 209 HE2 0.09 0.05 -0.06 -0.04 2.99 3.03 1jgvH1 LYS 209 HE3 0.07 -0.03 -0.05 -0.04 2.99 2.93 1jgvH1 ILE 210 H 0.22 0.63 0.37 -0.55 8.25 8.91 1jgvH1 ILE 210 HA 0.17 0.10 0.76 -0.75 4.18 4.46 1jgvH1 ILE 210 HB 0.07 -0.03 0.19 -0.04 1.89 2.08 1jgvH1 ILE 210 HG12 0.29 0.01 -0.02 -0.04 1.49 1.73 1jgvH1 ILE 210 HG13 0.25 -0.04 -0.05 -0.04 1.21 1.33 1jgvH1 ILE 210 HG23 -0.05 -0.01 -0.15 -0.04 0.93 0.67 1jgvH1 ILE 210 HD13 0.19 -0.00 -0.06 -0.04 0.88 0.97 1jgvH1 GLU 211 H 0.22 0.22 0.14 -0.55 8.60 8.64 1jgvH1 GLU 211 HA 0.39 0.22 1.00 -0.75 4.29 5.15 1jgvH1 GLU 211 HB2 0.13 0.01 0.04 -0.04 2.09 2.23 1jgvH1 GLU 211 HB3 0.09 0.06 0.05 -0.04 1.99 2.16 1jgvH1 GLU 211 HG2 0.12 0.06 -0.09 -0.04 2.34 2.38 1jgvH1 GLU 211 HG3 0.16 -0.11 -0.54 -0.04 2.34 1.81 1jgvH1 PRO 212 HA 0.33 0.01 0.36 -0.51 4.44 4.63 1jgvH1 PRO 212 HB2 -0.06 0.03 -0.01 -0.04 2.28 2.20 1jgvH1 PRO 212 HB3 -0.09 -0.01 0.08 -0.04 2.02 1.95 1jgvH1 PRO 212 HG2 -0.38 0.05 0.07 -0.04 2.03 1.73 1jgvH1 PRO 212 HG3 -0.92 0.05 0.07 -0.04 2.03 1.19 1jgvH1 PRO 212 HD2 -0.05 0.11 0.18 -0.04 3.68 3.87 1jgvH1 PRO 212 HD3 -0.10 0.19 0.26 -0.04 3.65 3.96 1jgvH1 ARG 213 H 0.13 0.10 0.04 -0.55 8.46 8.19 1jgvH1 ARG 213 HA 0.07 0.03 0.18 -0.75 4.34 3.87 1jgvH1 ARG 213 HB2 0.04 -0.01 0.05 -0.04 1.90 1.93 1jgvH1 ARG 213 HB3 0.03 -0.04 -0.08 -0.04 1.80 1.67 1jgvH1 ARG 213 HG2 0.03 0.13 -0.43 -0.04 1.67 1.36 1jgvH1 ARG 213 HG3 0.04 0.03 0.07 -0.04 1.67 1.77 1jgvH1 ARG 213 HD2 0.02 -0.04 -0.03 -0.04 3.22 3.13 1jgvH1 ARG 213 HD3 0.01 -0.02 -0.08 -0.04 3.22 3.08