#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hmc s HIS 3 N 0.00 2.92 -0.46 0.66 5.65 -1.26 -4.97 115.29 117.83 3hmc s HIS 3 Ca 0.00 1.07 0.06 0.00 0.25 0.00 0.00 55.06 56.44 3hmc s HIS 3 Cb 0.00 -3.87 0.21 0.00 -1.18 0.00 0.00 32.58 27.75 3hmc s HIS 3 CO 0.00 -2.73 0.48 -1.33 -0.65 0.00 0.00 174.74 170.51 3hmc n MET 4 N 1.79 0.84 -1.68 2.88 0.00 -1.26 -5.13 117.12 114.56 3hmc n MET 4 Ca 0.05 -3.50 -0.31 0.00 0.00 0.00 0.00 57.70 53.94 3hmc n MET 4 Cb 0.40 -1.62 0.04 0.00 0.00 0.00 0.00 33.22 32.04 3hmc n MET 4 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3hmc s GLY 5 N -0.89 1.66 0.05 3.03 0.00 -1.26 -4.74 107.32 105.17 3hmc s GLY 5 Ca 0.34 -0.00 0.03 0.00 0.00 0.00 0.00 44.72 45.08 3hmc s GLY 5 CO -0.14 0.30 -0.09 0.30 0.00 0.00 0.00 173.10 173.47 3hmc s HIS 6 N -3.11 0.75 -0.33 1.90 0.09 0.02 -4.84 115.29 109.77 3hmc s HIS 6 Ca 0.57 -0.52 -0.09 0.00 -0.00 0.00 0.00 55.06 55.03 3hmc s HIS 6 Cb -0.13 -0.44 0.01 0.00 -0.00 0.00 0.00 32.58 32.02 3hmc s HIS 6 CO 0.55 -0.07 0.14 0.42 -0.00 0.00 0.00 174.74 175.77 3hmc s ILE 7 N -1.49 4.28 -0.05 0.60 1.01 -1.25 -0.50 121.20 123.79 3hmc s ILE 7 Ca -0.08 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 59.90 3hmc s ILE 7 Cb -0.09 -3.28 -0.01 0.00 0.01 0.00 0.00 42.46 39.08 3hmc s ILE 7 CO 0.00 -0.05 -0.23 -0.63 0.00 0.00 0.00 174.94 174.03 3hmc s ILE 8 N 1.53 2.21 -0.10 2.92 1.01 -0.45 -0.96 121.20 127.35 3hmc s ILE 8 Ca 0.02 -1.02 -0.04 0.00 0.00 0.00 0.00 60.65 59.62 3hmc s ILE 8 Cb -0.18 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 3hmc s ILE 8 CO 0.05 0.57 0.04 1.51 0.00 0.00 0.00 174.94 177.11 3hmc s ASP 9 N -0.26 5.58 0.19 3.58 -4.77 -1.20 -1.33 116.67 118.46 3hmc s ASP 9 Ca -0.00 0.22 0.02 0.00 -3.30 0.00 0.00 52.55 49.49 3hmc s ASP 9 Cb -0.13 -1.68 -0.05 0.00 -1.09 0.00 0.00 42.92 39.97 3hmc s ASP 9 CO 0.03 0.37 0.03 0.27 0.70 0.00 0.00 175.17 176.56 3hmc s ILE 10 N -0.80 0.63 0.33 2.11 -4.36 -0.27 -4.22 121.20 114.62 3hmc s ILE 10 Ca 0.13 -1.98 -0.07 0.00 -0.26 0.00 0.00 60.65 58.46 3hmc s ILE 10 Cb -0.12 -2.25 0.03 0.00 1.25 0.00 0.00 42.46 41.38 3hmc s ILE 10 CO 0.03 -0.36 0.56 -1.54 0.24 0.00 0.00 174.94 173.87 3hmc n SER 11 N -0.29 -1.60 0.29 4.36 3.41 -1.26 -1.12 113.62 117.40 3hmc n SER 11 Ca -0.05 -2.52 0.19 0.00 -0.26 0.00 0.00 58.87 56.23 3hmc n SER 11 Cb 0.64 2.79 0.98 0.00 -0.26 0.00 0.00 64.21 68.36 3hmc n SER 11 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3hmc h LYS 12 N 0.00 0.00 0.00 4.33 5.09 -1.94 -0.99 116.57 123.05 3hmc h LYS 12 Ca -0.27 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.47 3hmc h LYS 12 Cb 1.06 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.39 3hmc h LYS 12 CO 0.35 0.00 -0.01 -1.49 -2.09 0.00 0.00 179.45 176.21 3hmc h TRP 13 N 0.00 0.00 0.00 0.07 4.06 -2.02 -1.12 115.95 116.93 3hmc h TRP 13 Ca 0.03 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.98 3hmc h TRP 13 Cb 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.49 3hmc h TRP 13 CO 0.00 0.01 0.00 0.09 -3.56 0.00 0.00 178.44 174.98 3hmc n ASN 14 N -3.16 0.00 0.00 -3.49 4.13 -0.38 -5.01 115.26 107.36 3hmc n ASN 14 Ca -0.02 0.46 0.00 0.00 1.68 0.00 0.00 54.58 56.70 3hmc n ASN 14 Cb 0.14 -0.48 0.00 0.00 -1.54 0.00 0.00 39.78 37.90 3hmc n ASN 14 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hmc n GLY 15 N 1.19 0.66 3.77 7.41 0.00 -0.43 -4.70 105.19 113.09 3hmc n GLY 15 Ca 0.07 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 3hmc n GLY 15 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hmc s ASP 16 N -4.00 6.96 -0.03 1.61 -0.00 -1.26 -5.00 116.67 114.95 3hmc s ASP 16 Ca 0.00 2.50 0.07 0.00 -0.00 0.00 0.00 52.55 55.12 3hmc s ASP 16 Cb 0.00 -2.64 -0.02 0.00 -0.00 0.00 0.00 42.92 40.26 3hmc s ASP 16 CO 0.00 -0.38 -0.24 -0.63 -0.00 0.00 0.00 175.17 173.92 3hmc s ILE 17 N -1.17 2.22 -1.03 0.77 1.01 -1.26 -4.91 121.20 116.83 3hmc s ILE 17 Ca 0.48 -1.04 -0.17 0.00 0.00 0.00 0.00 60.65 59.91 3hmc s ILE 17 Cb -0.36 -1.79 0.14 0.00 0.01 0.00 0.00 42.46 40.46 3hmc s ILE 17 CO 0.47 0.58 1.26 0.21 0.00 0.00 0.00 174.94 177.46 3hmc s ASN 18 N -0.60 6.77 0.36 3.58 3.04 -0.30 -4.87 114.94 122.91 3hmc s ASN 18 Ca 0.09 -2.32 0.04 0.00 0.04 0.00 0.00 52.86 50.72 3hmc s ASN 18 Cb -0.10 -2.41 0.67 0.00 -1.54 0.00 0.00 41.25 37.86 3hmc s ASN 18 CO -0.01 -0.99 1.95 -0.50 -3.04 0.00 0.00 177.10 174.51 3hmc h TRP 19 N 8.32 0.61 -0.83 0.43 4.06 -1.95 -1.30 115.95 125.29 3hmc h TRP 19 Ca 0.22 -0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.13 3hmc h TRP 19 Cb 0.97 -0.19 -0.04 0.00 -1.00 0.00 0.00 29.16 28.90 3hmc h TRP 19 CO 1.16 0.48 0.48 0.77 -3.56 0.00 0.00 178.44 177.77 3hmc h SER 20 N 0.61 1.01 0.43 -3.49 0.02 -1.99 -0.55 113.55 109.60 3hmc h SER 20 Ca 0.15 -0.07 -0.31 0.00 -0.84 0.00 0.00 61.79 60.72 3hmc h SER 20 Cb 0.13 -0.26 0.02 0.00 0.14 0.00 0.00 62.40 62.43 3hmc h SER 20 CO -0.01 0.80 -1.39 0.40 -1.14 0.00 0.00 176.83 175.48 3hmc h ILE 21 N 1.15 1.36 -0.01 3.27 1.08 -1.84 -3.33 117.51 119.19 3hmc h ILE 21 Ca 0.30 -2.86 -0.11 0.00 -0.39 0.00 0.00 64.86 61.79 3hmc h ILE 21 Cb -0.01 2.98 -0.02 0.00 -3.07 0.00 0.00 36.82 36.70 3hmc h ILE 21 CO -0.05 0.85 -0.54 0.00 -0.69 0.00 0.00 178.15 177.72 3hmc h ALA 22 N 0.36 1.10 -0.82 1.87 0.00 -1.08 -3.36 119.26 117.33 3hmc h ALA 22 Ca -0.21 -0.49 0.08 0.00 0.00 0.00 0.00 54.91 54.29 3hmc h ALA 22 Cb 2.08 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 19.68 3hmc h ALA 22 CO 0.24 0.67 -0.45 1.17 0.00 0.00 0.00 179.25 180.88 3hmc n LYS 23 N -3.90 -0.33 0.21 0.00 3.00 -0.23 -0.07 118.16 116.85 3hmc n LYS 23 Ca -0.01 1.24 0.14 0.00 -0.00 0.00 0.00 58.31 59.68 3hmc n LYS 23 Cb 0.55 -1.82 0.75 0.00 0.00 0.00 0.00 35.03 34.51 3hmc n LYS 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 3hmc h GLN 24 N 0.00 0.00 -0.02 1.64 3.07 -1.82 -1.44 115.11 116.54 3hmc h GLN 24 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.90 3hmc h GLN 24 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.92 3hmc h GLN 24 CO -0.78 0.00 -0.13 0.72 0.09 0.00 0.00 178.83 178.73 3hmc n HIS 25 N -2.50 0.00 -4.09 0.06 8.25 0.91 -4.62 115.22 113.22 3hmc n HIS 25 Ca -0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.10 3hmc n HIS 25 Cb 0.07 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.06 3hmc n HIS 25 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3hmc s ILE 26 N -2.00 4.09 -0.23 1.59 1.01 -0.54 -0.80 121.20 124.32 3hmc s ILE 26 Ca 0.23 -0.27 0.05 0.00 0.00 0.00 0.00 60.65 60.67 3hmc s ILE 26 Cb 0.18 -2.85 -0.17 0.00 0.01 0.00 0.00 42.46 39.63 3hmc s ILE 26 CO 0.35 0.43 -0.16 0.47 0.00 0.00 0.00 174.94 176.04 3hmc n ASP 27 N 4.09 1.74 -3.56 3.58 8.00 0.34 -4.75 116.55 126.00 3hmc n ASP 27 Ca -0.17 -0.10 -0.17 0.00 0.71 0.00 0.00 54.79 55.06 3hmc n ASP 27 Cb 0.52 -0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.46 3hmc n ASP 27 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3hmc s PHE 28 N -2.48 -0.70 -0.01 1.24 5.36 -1.13 -4.69 117.98 115.56 3hmc s PHE 28 Ca -0.28 1.40 0.06 0.00 -0.96 0.00 0.00 56.93 57.15 3hmc s PHE 28 Cb 0.08 0.36 -0.02 0.00 -0.34 0.00 0.00 43.02 43.11 3hmc s PHE 28 CO 0.60 -0.53 -0.19 0.42 -1.46 0.00 0.00 175.22 174.06 3hmc s ILE 29 N -0.66 1.51 -0.21 3.12 -1.09 -1.03 -1.35 121.20 121.50 3hmc s ILE 29 Ca -0.07 -0.83 0.01 0.00 -2.23 0.00 0.00 60.65 57.53 3hmc s ILE 29 Cb -0.02 -1.26 0.05 0.00 -1.58 0.00 0.00 42.46 39.65 3hmc s ILE 29 CO 0.07 0.42 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.48 3hmc s ILE 30 N -0.46 1.57 0.02 2.92 1.01 -0.44 0.04 121.20 125.86 3hmc s ILE 30 Ca 0.07 -1.04 0.02 0.00 0.00 0.00 0.00 60.65 59.70 3hmc s ILE 30 Cb -0.07 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 3hmc s ILE 30 CO -0.01 0.09 0.01 0.00 0.00 0.00 0.00 174.94 175.04 3hmc s ALA 31 N 1.41 3.34 -0.01 9.38 0.00 -0.40 -1.12 121.76 134.36 3hmc s ALA 31 Ca -0.02 -0.97 -0.30 0.00 0.00 0.00 0.00 51.96 50.67 3hmc s ALA 31 Cb -0.17 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 3hmc s ALA 31 CO -0.08 0.67 1.17 0.50 0.00 0.00 0.00 175.76 178.02 3hmc s ARG 32 N -1.73 4.40 -0.18 0.00 3.52 -0.28 -1.34 118.95 123.35 3hmc s ARG 32 Ca 0.21 1.67 -0.04 0.00 -0.13 0.00 0.00 55.73 57.44 3hmc s ARG 32 Cb -0.12 -3.47 -0.22 0.00 -1.56 0.00 0.00 34.95 29.58 3hmc s ARG 32 CO 0.12 -0.33 0.13 0.28 -0.81 0.00 0.00 175.30 174.69 3hmc n VAL 33 N 4.29 1.67 -3.71 7.11 0.31 -0.09 -4.57 118.33 123.34 3hmc n VAL 33 Ca 0.10 -0.60 -0.10 0.00 -0.01 0.00 0.00 64.34 63.73 3hmc n VAL 33 Cb 0.47 -1.63 -0.04 0.00 -0.91 0.00 0.00 33.84 31.73 3hmc n VAL 33 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hmc s GLN 34 N -2.54 1.35 -0.56 5.55 -2.07 -1.26 -1.59 119.66 118.55 3hmc s GLN 34 Ca -0.28 -0.83 0.04 0.00 -1.82 0.00 0.00 55.36 52.48 3hmc s GLN 34 Cb 0.08 0.52 0.14 0.00 -1.09 0.00 0.00 33.01 32.66 3hmc s GLN 34 CO 0.70 -0.57 0.31 0.34 -1.32 0.00 0.00 175.29 174.75 3hmc s ASP 35 N -2.86 4.43 0.14 12.60 2.15 0.01 -1.82 116.67 131.32 3hmc s ASP 35 Ca 0.08 -3.20 0.00 0.00 0.43 0.00 0.00 52.55 49.86 3hmc s ASP 35 Cb -0.01 -1.64 0.00 0.00 -0.30 0.00 0.00 42.92 40.97 3hmc s ASP 35 CO -0.04 -0.20 0.00 0.61 -0.17 0.00 0.00 175.17 175.37 3hmc n GLY 36 N 2.86 -2.09 0.23 2.66 0.00 0.18 -3.19 105.19 105.84 3hmc n GLY 36 Ca 0.08 -1.40 0.10 0.00 0.00 0.00 0.00 46.02 44.81 3hmc n GLY 36 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hmc h SER 37 N -0.37 0.00 -0.07 1.61 0.02 -1.90 -3.30 113.55 109.54 3hmc h SER 37 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3hmc h SER 37 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3hmc h SER 37 CO 0.00 0.21 0.00 0.59 -1.14 0.00 0.00 176.83 176.49 3hmc n ASN 38 N -3.37 1.65 -3.68 3.07 3.02 -1.26 -4.80 115.26 109.89 3hmc n ASN 38 Ca 0.00 -1.60 -0.23 0.00 -0.03 0.00 0.00 54.58 52.73 3hmc n ASN 38 Cb 0.42 -0.04 -0.18 0.00 -0.61 0.00 0.00 39.78 39.38 3hmc n ASN 38 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3hmc s TYR 39 N -1.92 0.31 -0.19 3.10 5.04 -1.19 -5.04 117.35 117.46 3hmc s TYR 39 Ca 0.36 -0.06 -0.17 0.00 -2.44 0.00 0.00 57.07 54.76 3hmc s TYR 39 Cb 0.20 -0.64 -0.04 0.00 0.35 0.00 0.00 41.96 41.83 3hmc s TYR 39 CO 0.31 -0.33 0.45 0.08 -1.34 0.00 0.00 175.55 174.72 3hmc s VAL 40 N 2.09 5.17 0.03 3.14 1.01 -1.26 -0.81 120.40 129.76 3hmc s VAL 40 Ca 0.04 0.83 -0.30 0.00 0.00 0.00 0.00 61.98 62.54 3hmc s VAL 40 Cb -0.13 -3.78 -0.08 0.00 0.00 0.00 0.00 36.38 32.39 3hmc s VAL 40 CO -0.05 0.24 1.77 -0.62 0.00 0.00 0.00 175.10 176.43 3hmc s ASP 41 N 1.01 6.56 0.14 3.32 2.15 -0.62 -4.88 116.67 124.34 3hmc s ASP 41 Ca 0.22 2.49 0.21 0.00 0.43 0.00 0.00 52.55 55.90 3hmc s ASP 41 Cb -0.15 -2.54 0.87 0.00 -0.30 0.00 0.00 42.92 40.79 3hmc s ASP 41 CO 0.09 -0.96 1.66 -0.81 -0.17 0.00 0.00 175.17 174.98 3hmc n PRO 42 N 6.68 0.12 -0.00 4.34 -0.04 -1.26 -3.50 135.00 141.34 3hmc n PRO 42 Ca 0.18 0.29 0.05 0.00 -0.04 0.00 0.00 63.50 63.98 3hmc n PRO 42 Cb 0.41 -1.70 -0.06 0.00 -0.04 0.00 0.00 33.50 32.11 3hmc n PRO 42 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hmc n LEU 43 N -1.92 0.47 -0.07 1.53 4.77 -1.26 -4.72 117.00 115.80 3hmc n LEU 43 Ca 0.04 -0.46 -0.09 0.00 -0.03 0.00 0.00 56.01 55.47 3hmc n LEU 43 Cb 0.25 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 3hmc n LEU 43 CO 0.20 0.12 0.64 0.22 -1.33 0.00 0.00 177.39 177.24 3hmc h TYR 44 N 0.00 -0.90 -0.91 -1.77 3.20 -1.80 -0.50 116.97 114.30 3hmc h TYR 44 Ca 0.00 0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.98 3hmc h TYR 44 Cb 0.27 0.44 -0.06 0.00 1.54 0.00 0.00 36.73 38.92 3hmc h TYR 44 CO 0.00 -0.39 0.58 0.87 -1.64 0.00 0.00 178.16 177.58 3hmc h LYS 45 N -0.31 1.03 -0.43 1.82 1.57 -1.84 -0.52 116.57 117.89 3hmc h LYS 45 Ca 0.14 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 3hmc h LYS 45 Cb 0.54 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 3hmc h LYS 45 CO -0.46 0.68 -0.14 0.78 -0.57 0.00 0.00 179.45 179.74 3hmc h GLY 46 N 1.06 0.87 0.93 3.86 0.00 -1.74 -1.80 103.07 106.26 3hmc h GLY 46 Ca 0.39 -0.69 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 3hmc h GLY 46 CO -0.16 0.63 0.14 -0.97 0.00 0.00 0.00 176.54 176.18 3hmc h TYR 47 N 0.72 0.51 -0.44 5.60 0.05 -0.15 -2.03 116.97 121.23 3hmc h TYR 47 Ca 0.11 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.85 3hmc h TYR 47 Cb 0.64 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.21 3hmc h TYR 47 CO 0.03 0.48 0.26 0.28 -1.05 0.00 0.00 178.16 178.16 3hmc h VAL 48 N 0.40 1.15 -0.54 -2.88 2.07 -0.96 0.12 116.25 115.61 3hmc h VAL 48 Ca 0.11 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.34 3hmc h VAL 48 Cb 0.18 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 3hmc h VAL 48 CO -0.01 0.15 0.27 -0.61 0.02 0.00 0.00 177.57 177.39 3hmc h GLN 49 N 0.58 0.50 -0.35 1.57 4.15 -1.20 -0.65 115.11 119.72 3hmc h GLN 49 Ca 0.16 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.49 3hmc h GLN 49 Cb 0.01 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 3hmc h GLN 49 CO -0.03 0.33 -0.02 0.00 -1.93 0.00 0.00 178.83 177.18 3hmc h ALA 50 N 1.30 0.47 -0.76 3.38 0.00 -0.99 -2.11 119.26 120.54 3hmc h ALA 50 Ca 0.24 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3hmc h ALA 50 Cb 0.16 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3hmc h ALA 50 CO -0.17 0.26 0.34 0.52 0.00 0.00 0.00 179.25 180.19 3hmc h MET 51 N 0.43 1.11 -0.49 0.00 2.86 -0.38 -0.84 114.93 117.61 3hmc h MET 51 Ca 0.10 -0.17 -0.06 0.00 -2.06 0.00 0.00 59.70 57.50 3hmc h MET 51 Cb 0.49 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 3hmc h MET 51 CO 0.02 0.87 0.07 0.87 1.06 0.00 0.00 176.91 179.81 3hmc h LYS 52 N 1.09 0.82 -0.57 1.72 1.57 -1.04 0.20 116.57 120.37 3hmc h LYS 52 Ca 0.26 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3hmc h LYS 52 Cb 0.15 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3hmc h LYS 52 CO -0.03 0.82 0.30 1.96 -0.57 0.00 0.00 179.45 181.93 3hmc h GLN 53 N 0.69 0.79 -0.33 3.15 1.08 -0.98 -2.40 115.11 117.12 3hmc h GLN 53 Ca 0.15 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 3hmc h GLN 53 Cb 0.40 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 3hmc h GLN 53 CO 0.01 0.59 0.00 0.72 -0.95 0.00 0.00 178.83 179.20 3hmc n HIS 54 N -4.38 0.43 -3.03 2.96 8.25 -0.36 -4.95 115.22 114.14 3hmc n HIS 54 Ca 0.05 -0.22 -0.19 0.00 -0.26 0.00 0.00 57.72 57.11 3hmc n HIS 54 Cb 0.11 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.26 3hmc n HIS 54 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hmc n GLY 55 N 1.28 -0.30 3.58 -1.41 0.00 -0.33 -5.00 105.19 103.02 3hmc n GLY 55 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3hmc n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hmc s ILE 56 N -3.12 5.05 0.38 -0.61 1.01 0.57 -5.03 121.20 119.45 3hmc s ILE 56 Ca 0.32 0.08 -0.25 0.00 0.00 0.00 0.00 60.65 60.79 3hmc s ILE 56 Cb -0.14 -3.37 -0.09 0.00 0.01 0.00 0.00 42.46 38.87 3hmc s ILE 56 CO 0.39 0.32 1.10 -2.16 0.00 0.00 0.00 174.94 174.59 3hmc s PRO 57 N 1.38 4.20 0.18 2.79 0.04 -1.26 -4.47 135.00 137.86 3hmc s PRO 57 Ca 0.07 1.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.68 3hmc s PRO 57 Cb -0.15 -2.70 -0.00 0.00 0.04 0.00 0.00 34.50 31.69 3hmc s PRO 57 CO 0.06 -0.15 0.35 -0.59 0.04 0.00 0.00 177.00 176.71 3hmc s PHE 58 N -1.48 0.34 0.34 0.56 -0.12 -1.26 -2.46 117.98 113.90 3hmc s PHE 58 Ca 0.55 -0.70 0.03 0.00 -0.05 0.00 0.00 56.93 56.77 3hmc s PHE 58 Cb -0.27 0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.11 3hmc s PHE 58 CO 0.34 -0.79 0.10 0.20 -0.05 0.00 0.00 175.22 175.02 3hmc s GLY 59 N -2.97 2.21 0.09 1.99 0.00 0.11 -1.13 107.32 107.62 3hmc s GLY 59 Ca 0.18 -1.69 0.09 0.00 0.00 0.00 0.00 44.72 43.30 3hmc s GLY 59 CO 0.01 -1.76 -0.24 -1.31 0.00 0.00 0.00 173.10 169.81 3hmc s ASN 60 N -3.49 3.45 0.04 1.64 0.02 0.10 -1.28 114.94 115.42 3hmc s ASN 60 Ca 0.32 -0.61 0.01 0.00 -1.02 0.00 0.00 52.86 51.55 3hmc s ASN 60 Cb 0.06 -0.36 -0.03 0.00 0.02 0.00 0.00 41.25 40.94 3hmc s ASN 60 CO 0.15 0.22 -0.05 -0.72 0.02 0.00 0.00 177.10 176.72 3hmc s TYR 61 N -0.97 0.45 -0.04 2.20 -0.85 -0.45 -0.27 117.35 117.43 3hmc s TYR 61 Ca 0.14 -0.62 0.01 0.00 -0.52 0.00 0.00 57.07 56.08 3hmc s TYR 61 Cb -0.10 -0.30 0.02 0.00 0.38 0.00 0.00 41.96 41.96 3hmc s TYR 61 CO 0.05 -0.18 -0.03 0.00 -1.52 0.00 0.00 175.55 173.87 3hmc s ALA 62 N -1.91 0.53 0.06 9.51 0.00 -0.46 -0.91 121.76 128.58 3hmc s ALA 62 Ca -0.09 0.03 -0.31 0.00 0.00 0.00 0.00 51.96 51.59 3hmc s ALA 62 Cb -0.07 -0.37 -0.06 0.00 0.00 0.00 0.00 23.12 22.63 3hmc s ALA 62 CO -0.02 -0.02 1.23 0.12 0.00 0.00 0.00 175.76 177.06 3hmc s PHE 63 N 0.91 3.38 -0.04 0.00 2.19 -0.76 -0.81 117.98 122.85 3hmc s PHE 63 Ca -0.11 1.24 -0.21 0.00 0.33 0.00 0.00 56.93 58.19 3hmc s PHE 63 Cb -0.14 -3.46 -0.05 0.00 -1.31 0.00 0.00 43.02 38.07 3hmc s PHE 63 CO -0.00 -1.44 0.59 0.00 1.83 0.00 0.00 175.22 176.20 3hmc n ARG 65 N 3.08 0.00 -2.16 0.00 1.74 -1.26 -4.77 116.66 113.29 3hmc n ARG 65 Ca -0.06 -1.59 -0.38 0.00 -0.77 0.00 0.00 57.85 55.05 3hmc n ARG 65 Cb 0.51 -0.20 -0.01 0.00 -1.02 0.00 0.00 32.46 31.75 3hmc n ARG 65 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3hmc s PHE 66 N 0.00 2.87 -1.46 -1.55 -0.12 -1.26 -4.94 117.98 111.51 3hmc s PHE 66 Ca 0.20 1.49 0.12 0.00 -0.05 0.00 0.00 56.93 58.69 3hmc s PHE 66 Cb 0.23 -3.52 0.08 0.00 -0.63 0.00 0.00 43.02 39.18 3hmc s PHE 66 CO -0.10 -1.76 0.86 1.33 -0.05 0.00 0.00 175.22 175.50 3hmc n VAL 67 N -0.13 0.00 -3.79 -2.49 0.24 -1.26 -4.02 118.33 106.88 3hmc n VAL 67 Ca 0.05 -0.48 -0.04 0.00 -2.04 0.00 0.00 64.34 61.83 3hmc n VAL 67 Cb 0.46 1.24 -0.01 0.00 -1.47 0.00 0.00 33.84 34.06 3hmc n VAL 67 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3hmc s SER 68 N -1.08 -0.15 0.12 -1.34 1.04 -1.26 -4.74 113.70 106.29 3hmc s SER 68 Ca 0.14 -0.50 -0.19 0.00 0.48 0.00 0.00 55.95 55.87 3hmc s SER 68 Cb 0.10 0.54 -0.06 0.00 0.10 0.00 0.00 66.02 66.70 3hmc s SER 68 CO 0.17 -1.01 1.76 0.40 0.98 0.00 0.00 173.24 175.54 3hmc h ILE 69 N 2.00 1.07 -0.71 -1.02 1.08 -1.94 0.41 117.51 118.41 3hmc h ILE 69 Ca -0.24 -0.16 -0.02 0.00 -0.39 0.00 0.00 64.86 64.05 3hmc h ILE 69 Cb 1.23 0.78 -0.03 0.00 -3.07 0.00 0.00 36.82 35.73 3hmc h ILE 69 CO 0.27 0.07 0.37 0.00 -0.69 0.00 0.00 178.15 178.17 3hmc h ALA 70 N 1.06 0.91 -0.02 1.87 0.00 -1.99 -2.18 119.26 118.91 3hmc h ALA 70 Ca 0.08 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3hmc h ALA 70 Cb -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3hmc h ALA 70 CO -0.02 0.44 -0.34 0.22 0.00 0.00 0.00 179.25 179.55 3hmc h ASP 71 N 0.98 0.04 -0.53 0.00 3.58 -1.86 -2.24 116.42 116.38 3hmc h ASP 71 Ca 0.25 -0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.58 3hmc h ASP 71 Cb 0.07 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 3hmc h ASP 71 CO -0.04 0.38 -0.08 0.00 -2.88 0.00 0.00 179.24 176.62 3hmc h ALA 72 N 1.62 0.72 -0.49 -0.78 0.00 -0.33 -0.33 119.26 119.68 3hmc h ALA 72 Ca 0.00 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 3hmc h ALA 72 Cb 0.62 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3hmc h ALA 72 CO 0.05 0.61 0.02 0.87 0.00 0.00 0.00 179.25 180.80 3hmc h LYS 73 N 0.86 0.79 -0.35 0.00 1.57 -1.05 -1.36 116.57 117.04 3hmc h LYS 73 Ca 0.14 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 3hmc h LYS 73 Cb 0.64 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3hmc h LYS 73 CO 0.04 0.78 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.46 3hmc h LYS 74 N 0.74 0.63 -0.85 3.15 1.63 -1.03 -1.24 116.57 119.60 3hmc h LYS 74 Ca 0.15 -0.21 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 3hmc h LYS 74 Cb 0.42 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.96 3hmc h LYS 74 CO 0.02 0.76 0.51 0.93 -3.45 0.00 0.00 179.45 178.21 3hmc h GLU 75 N 0.43 1.16 -0.64 1.90 5.08 -0.78 -0.43 114.58 121.30 3hmc h GLU 75 Ca 0.10 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3hmc h GLU 75 Cb 0.49 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 3hmc h GLU 75 CO 0.02 0.81 0.15 0.00 -1.00 0.00 0.00 179.01 178.99 3hmc h ALA 76 N 1.39 0.85 -0.59 3.43 0.00 -1.01 -0.30 119.26 123.03 3hmc h ALA 76 Ca 0.31 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3hmc h ALA 76 Cb -0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3hmc h ALA 76 CO -0.06 0.57 0.24 1.96 0.00 0.00 0.00 179.25 181.97 3hmc h GLN 77 N 0.95 0.87 -0.62 0.00 4.20 -0.59 0.04 115.11 119.97 3hmc h GLN 77 Ca 0.20 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 3hmc h GLN 77 Cb 0.37 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 3hmc h GLN 77 CO 0.00 0.74 0.20 -0.44 -0.67 0.00 0.00 178.83 178.66 3hmc h ASP 78 N 0.81 0.90 0.02 1.46 3.32 -0.80 -1.02 116.42 121.11 3hmc h ASP 78 Ca 0.20 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 57.05 3hmc h ASP 78 Cb 0.18 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3hmc h ASP 78 CO -0.02 0.87 -0.04 0.15 -1.72 0.00 0.00 179.24 178.47 3hmc h PHE 79 N 0.89 -0.11 -0.31 4.55 3.57 -0.68 -0.62 116.94 124.23 3hmc h PHE 79 Ca 0.20 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 3hmc h PHE 79 Cb 0.28 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 3hmc h PHE 79 CO 0.02 -0.07 0.19 2.35 -2.23 0.00 0.00 178.31 178.57 3hmc h TRP 80 N -0.09 0.41 -0.14 0.41 2.91 -0.85 0.12 115.95 118.74 3hmc h TRP 80 Ca 0.01 0.00 -0.09 0.00 1.13 0.00 0.00 58.89 59.94 3hmc h TRP 80 Cb 0.10 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 28.60 3hmc h TRP 80 CO -0.11 0.30 -0.30 -0.91 -1.03 0.00 0.00 178.44 176.38 3hmc h ASN 81 N 0.41 0.26 1.16 2.65 2.35 -1.03 -3.09 115.58 118.29 3hmc h ASN 81 Ca 0.11 -0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.68 3hmc h ASN 81 Cb 0.00 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3hmc h ASN 81 CO -0.02 0.57 -0.88 0.03 -1.65 0.00 0.00 177.43 175.47 3hmc h ARG 82 N 0.23 0.00 -6.95 0.81 3.08 -0.93 -3.47 114.38 107.15 3hmc h ARG 82 Ca 0.03 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.63 3hmc h ARG 82 Cb 0.66 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 3hmc h ARG 82 CO 0.05 0.27 0.29 0.20 -1.07 0.00 0.00 179.97 179.71 3hmc s GLY 83 N -4.54 2.46 0.13 0.04 0.00 0.02 -5.01 107.32 100.41 3hmc s GLY 83 Ca 0.01 0.35 -0.30 0.00 0.00 0.00 0.00 44.72 44.78 3hmc s GLY 83 CO 0.77 0.65 1.13 -0.35 0.00 0.00 0.00 173.10 175.29 3hmc s ASP 84 N -2.08 7.20 0.00 1.64 2.15 -1.26 -4.92 116.67 119.40 3hmc s ASP 84 Ca 0.58 2.04 0.20 0.00 0.43 0.00 0.00 52.55 55.79 3hmc s ASP 84 Cb -0.11 -2.59 1.09 0.00 -0.30 0.00 0.00 42.92 41.00 3hmc s ASP 84 CO 0.16 -0.32 1.59 0.29 -0.17 0.00 0.00 175.17 176.72 3hmc n LYS 85 N 3.01 0.46 0.00 4.34 4.76 -1.26 -2.45 118.16 127.03 3hmc n LYS 85 Ca 0.05 0.05 0.14 0.00 -2.87 0.00 0.00 58.31 55.68 3hmc n LYS 85 Cb 0.46 -1.50 0.60 0.00 -1.84 0.00 0.00 35.03 32.75 3hmc n LYS 85 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3hmc n SER 86 N -1.13 0.42 -4.76 4.39 7.64 -1.26 -4.87 113.62 114.04 3hmc n SER 86 Ca 0.12 -0.47 -0.39 0.00 1.01 0.00 0.00 58.87 59.14 3hmc n SER 86 Cb 0.11 -0.09 0.01 0.00 -1.01 0.00 0.00 64.21 63.23 3hmc n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hmc s ALA 87 N -2.54 3.18 -0.15 -0.43 0.00 -1.02 -4.79 121.76 116.01 3hmc s ALA 87 Ca 0.27 1.39 0.18 0.00 0.00 0.00 0.00 51.96 53.79 3hmc s ALA 87 Cb 0.20 -3.56 -0.09 0.00 0.00 0.00 0.00 23.12 19.67 3hmc s ALA 87 CO 0.49 -1.12 0.93 1.79 0.00 0.00 0.00 175.76 177.84 3hmc h THR 88 N 2.22 0.40 -4.00 0.00 1.35 -1.41 -3.48 112.91 107.99 3hmc h THR 88 Ca -0.51 -1.77 -0.12 0.00 -0.55 0.00 0.00 66.41 63.46 3hmc h THR 88 Cb 1.27 1.94 -0.17 0.00 -1.73 0.00 0.00 68.15 69.46 3hmc h THR 88 CO 0.61 0.23 -0.59 0.68 -0.25 0.00 0.00 175.52 176.20 3hmc s VAL 89 N -3.03 0.17 -0.08 6.82 -7.23 -1.26 -4.41 120.40 111.37 3hmc s VAL 89 Ca -0.02 -1.36 0.02 0.00 -1.81 0.00 0.00 61.98 58.81 3hmc s VAL 89 Cb 0.09 -1.11 0.01 0.00 0.56 0.00 0.00 36.38 35.93 3hmc s VAL 89 CO 0.80 -0.75 -0.13 0.26 -0.31 0.00 0.00 175.10 174.97 3hmc s TRP 90 N -3.12 1.59 -0.07 2.82 0.52 -0.60 -0.72 118.94 119.36 3hmc s TRP 90 Ca -0.01 -0.63 0.05 0.00 0.02 0.00 0.00 56.10 55.53 3hmc s TRP 90 Cb 0.02 -1.17 -0.01 0.00 -1.15 0.00 0.00 33.47 31.16 3hmc s TRP 90 CO -0.07 -0.33 -0.24 0.08 0.02 0.00 0.00 176.95 176.41 3hmc s VAL 91 N 0.79 2.12 -0.31 4.03 1.01 0.63 -0.50 120.40 128.17 3hmc s VAL 91 Ca -0.12 -1.04 -0.20 0.00 0.00 0.00 0.00 61.98 60.62 3hmc s VAL 91 Cb -0.15 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 3hmc s VAL 91 CO 0.02 0.57 0.64 0.00 0.00 0.00 0.00 175.10 176.32 3hmc s ALA 92 N -0.08 3.52 -0.50 5.51 0.00 -0.48 -1.36 121.76 128.37 3hmc s ALA 92 Ca -0.06 -0.66 -0.14 0.00 0.00 0.00 0.00 51.96 51.09 3hmc s ALA 92 Cb -0.14 -3.12 0.11 0.00 0.00 0.00 0.00 23.12 19.97 3hmc s ALA 92 CO 0.05 -1.11 0.43 0.34 0.00 0.00 0.00 175.76 175.46 3hmc s ASP 93 N 1.66 6.07 -0.34 0.00 2.15 0.01 -0.64 116.67 125.58 3hmc s ASP 93 Ca 0.25 -1.64 -0.10 0.00 0.43 0.00 0.00 52.55 51.50 3hmc s ASP 93 Cb -0.15 -2.16 0.01 0.00 -0.30 0.00 0.00 42.92 40.32 3hmc s ASP 93 CO 0.12 -0.75 0.17 -0.69 -0.17 0.00 0.00 175.17 173.86 3hmc s VAL 94 N 1.57 4.52 0.00 1.11 1.01 0.04 -0.60 120.40 128.04 3hmc s VAL 94 Ca 0.04 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3hmc s VAL 94 Cb -0.27 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.69 3hmc s VAL 94 CO 0.04 -0.09 0.00 -0.62 0.00 0.00 0.00 175.10 174.43 3hmc n GLU 95 N 4.98 3.50 -4.13 2.72 1.02 -1.26 -1.03 120.64 126.43 3hmc n GLU 95 Ca -0.13 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.86 3hmc n GLU 95 Cb 0.47 -0.53 -0.12 0.00 -0.02 0.00 0.00 31.44 31.24 3hmc n GLU 95 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3hmc s VAL 96 N -0.60 0.67 -0.31 2.62 -7.23 -1.26 -4.84 120.40 109.46 3hmc s VAL 96 Ca 0.00 -0.97 -0.29 0.00 -1.81 0.00 0.00 61.98 58.91 3hmc s VAL 96 Cb 0.00 -0.68 0.01 0.00 0.56 0.00 0.00 36.38 36.27 3hmc s VAL 96 CO 0.00 -0.23 1.19 -0.75 -0.31 0.00 0.00 175.10 175.00 3hmc s LYS 97 N -1.32 3.99 0.00 4.82 2.20 -1.26 -4.84 119.74 123.34 3hmc s LYS 97 Ca -0.06 1.17 0.05 0.00 -0.36 0.00 0.00 55.97 56.77 3hmc s LYS 97 Cb -0.08 -3.81 -0.02 0.00 -1.51 0.00 0.00 37.83 32.40 3hmc s LYS 97 CO 0.01 -1.01 0.34 0.25 -0.36 0.00 0.00 175.35 174.57 3hmc n THR 98 N 6.03 0.00 -3.57 3.43 -2.24 -1.26 -5.02 114.28 111.65 3hmc n THR 98 Ca 0.13 -0.42 -0.14 0.00 -2.27 0.00 0.00 64.05 61.35 3hmc n THR 98 Cb 0.47 1.03 -0.05 0.00 -2.10 0.00 0.00 70.33 69.68 3hmc n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hmc s MET 99 N -1.14 1.03 0.21 -0.78 0.00 -1.26 -4.29 119.30 113.07 3hmc s MET 99 Ca 0.03 -0.20 -0.10 0.00 0.00 0.00 0.00 55.69 55.42 3hmc s MET 99 Cb 0.04 0.47 0.20 0.00 0.00 0.00 0.00 34.83 35.53 3hmc s MET 99 CO 0.15 -0.37 1.84 -0.97 0.00 0.00 0.00 175.02 175.68 3hmc h ASN 100 N 2.82 0.69 -3.44 -1.18 -1.24 -1.95 -3.29 115.58 107.99 3hmc h ASN 100 Ca -0.31 0.00 -0.78 0.00 0.71 0.00 0.00 56.30 55.93 3hmc h ASN 100 Cb 1.21 -0.14 -0.30 0.00 0.73 0.00 0.00 38.32 39.82 3hmc h ASN 100 CO 0.41 0.47 0.34 -0.67 -1.29 0.00 0.00 177.43 176.69 3hmc n ASP 101 N -4.69 5.26 0.15 1.15 -0.08 -1.26 -4.86 116.55 112.22 3hmc n ASP 101 Ca 0.08 -3.09 0.03 0.00 -1.51 0.00 0.00 54.79 50.29 3hmc n ASP 101 Cb 0.10 -1.29 0.41 0.00 2.34 0.00 0.00 41.12 42.69 3hmc n ASP 101 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 3hmc h MET 102 N 6.37 0.17 -0.43 -0.67 2.86 -1.88 -2.03 114.93 119.33 3hmc h MET 102 Ca 0.18 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.72 3hmc h MET 102 Cb 0.84 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.46 3hmc h MET 102 CO 1.00 0.33 0.04 -0.09 1.06 0.00 0.00 176.91 179.26 3hmc h ARG 103 N 0.16 0.73 -0.50 1.72 1.12 -1.89 0.76 114.38 116.48 3hmc h ARG 103 Ca 0.03 -0.21 -0.07 0.00 -1.11 0.00 0.00 59.98 58.62 3hmc h ARG 103 Cb 0.37 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.24 3hmc h ARG 103 CO 0.02 0.77 0.04 0.00 -3.11 0.00 0.00 179.97 177.69 3hmc h ALA 104 N 0.92 0.66 -0.55 2.80 0.00 -1.84 -0.69 119.26 120.57 3hmc h ALA 104 Ca 0.13 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3hmc h ALA 104 Cb 0.42 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3hmc h ALA 104 CO 0.01 0.44 0.09 0.78 0.00 0.00 0.00 179.25 180.58 3hmc h GLY 105 N 0.72 0.97 1.02 0.00 0.00 -1.24 -1.41 103.07 103.13 3hmc h GLY 105 Ca 0.15 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 3hmc h GLY 105 CO 0.02 0.60 0.24 -0.84 0.00 0.00 0.00 176.54 176.55 3hmc h THR 106 N 0.79 1.25 -0.44 4.70 2.02 -0.67 -0.83 112.91 119.72 3hmc h THR 106 Ca 0.17 -0.80 -0.09 0.00 0.77 0.00 0.00 66.41 66.45 3hmc h THR 106 Cb 0.40 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 3hmc h THR 106 CO 0.01 0.31 -0.09 -0.61 0.37 0.00 0.00 175.52 175.52 3hmc h GLN 107 N 0.95 0.78 -0.58 6.66 5.75 -0.93 -0.17 115.11 127.58 3hmc h GLN 107 Ca 0.22 -0.25 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 3hmc h GLN 107 Cb 0.25 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.70 3hmc h GLN 107 CO -0.01 0.85 0.23 0.00 -2.65 0.00 0.00 178.83 177.24 3hmc h ALA 108 N 1.19 0.75 0.14 3.38 0.00 -0.83 0.18 119.26 124.07 3hmc h ALA 108 Ca 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hmc h ALA 108 Cb 0.56 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3hmc h ALA 108 CO 0.03 0.37 -0.07 0.35 0.00 0.00 0.00 179.25 179.94 3hmc h PHE 109 N 0.80 -0.18 -0.35 0.00 3.57 -0.80 -1.42 116.94 118.56 3hmc h PHE 109 Ca 0.19 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 3hmc h PHE 109 Cb 0.21 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 3hmc h PHE 109 CO 0.01 -0.10 0.15 0.82 -2.23 0.00 0.00 178.31 176.96 3hmc h ILE 110 N -0.21 1.18 -0.44 1.41 2.04 -0.85 -2.36 117.51 118.28 3hmc h ILE 110 Ca -0.02 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 3hmc h ILE 110 Cb 0.16 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3hmc h ILE 110 CO 0.03 0.19 0.18 0.44 0.00 0.00 0.00 178.15 178.99 3hmc h ASP 111 N 0.42 0.56 -0.24 1.72 3.32 -0.58 -1.83 116.42 119.79 3hmc h ASP 111 Ca 0.12 -0.06 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 3hmc h ASP 111 Cb 0.16 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3hmc h ASP 111 CO -0.01 0.51 -0.25 -0.08 -1.72 0.00 0.00 179.24 177.69 3hmc h GLU 112 N 0.62 0.71 -0.49 3.56 4.57 -1.00 -0.36 114.58 122.19 3hmc h GLU 112 Ca 0.15 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 58.02 3hmc h GLU 112 Cb 0.12 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 3hmc h GLU 112 CO -0.02 0.89 0.22 -0.07 -1.18 0.00 0.00 179.01 178.85 3hmc h LEU 113 N 0.62 0.65 -0.68 1.64 3.38 -0.84 -0.49 115.31 119.59 3hmc h LEU 113 Ca 0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3hmc h LEU 113 Cb 0.74 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 3hmc h LEU 113 CO 0.06 0.62 0.40 1.88 0.09 0.00 0.00 178.44 181.48 3hmc h TYR 114 N 0.65 0.92 -0.71 1.13 0.05 -1.05 -1.02 116.97 116.93 3hmc h TYR 114 Ca 0.17 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.92 3hmc h TYR 114 Cb 0.15 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.56 3hmc h TYR 114 CO -0.00 0.63 0.40 -0.09 -1.05 0.00 0.00 178.16 178.05 3hmc h ARG 115 N 0.93 0.97 0.00 4.88 2.43 -0.59 -2.31 114.38 120.70 3hmc h ARG 115 Ca 0.24 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3hmc h ARG 115 Cb -0.00 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.35 3hmc h ARG 115 CO -0.04 0.70 -0.15 -0.07 -1.51 0.00 0.00 179.97 178.90 3hmc h LEU 116 N 0.98 0.00 0.00 3.80 3.38 -0.64 -3.47 115.31 119.36 3hmc h LEU 116 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3hmc h LEU 116 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3hmc h LEU 116 CO -0.04 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.25 3hmc n GLY 117 N 0.38 0.40 3.74 0.83 0.00 -0.84 -5.10 105.19 104.60 3hmc n GLY 117 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3hmc n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hmc s ALA 118 N -0.59 3.70 -0.11 4.61 0.00 -0.45 -4.92 121.76 124.00 3hmc s ALA 118 Ca 0.00 1.41 0.18 0.00 0.00 0.00 0.00 51.96 53.56 3hmc s ALA 118 Cb 0.00 -3.60 -0.27 0.00 0.00 0.00 0.00 23.12 19.25 3hmc s ALA 118 CO 0.00 -0.82 0.25 1.63 0.00 0.00 0.00 175.76 176.82 3hmc n LYS 119 N 2.61 0.79 -3.86 0.00 4.76 -1.26 -4.36 118.16 116.83 3hmc n LYS 119 Ca 0.09 -0.10 -0.28 0.00 -2.87 0.00 0.00 58.31 55.15 3hmc n LYS 119 Cb 0.39 -1.48 -0.16 0.00 -1.84 0.00 0.00 35.03 31.94 3hmc n LYS 119 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3hmc s LYS 120 N -2.92 1.25 -0.04 1.97 1.02 -1.26 -5.04 119.74 114.72 3hmc s LYS 120 Ca -0.08 -0.58 0.05 0.00 0.02 0.00 0.00 55.97 55.38 3hmc s LYS 120 Cb 0.09 -2.13 -0.01 0.00 -0.52 0.00 0.00 37.83 35.27 3hmc s LYS 120 CO 0.80 -0.52 -0.21 0.08 -0.92 0.00 0.00 175.35 174.58 3hmc s VAL 121 N 1.65 1.70 0.43 3.17 1.01 -1.26 -1.56 120.40 125.53 3hmc s VAL 121 Ca -0.01 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.13 3hmc s VAL 121 Cb -0.16 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 3hmc s VAL 121 CO -0.07 0.48 0.07 -0.83 0.00 0.00 0.00 175.10 174.74 3hmc s GLY 122 N -0.12 2.64 -0.03 4.51 0.00 0.34 -0.46 107.32 114.20 3hmc s GLY 122 Ca -0.02 -1.22 0.01 0.00 0.00 0.00 0.00 44.72 43.49 3hmc s GLY 122 CO 0.02 -1.97 -0.02 -2.27 0.00 0.00 0.00 173.10 168.86 3hmc s LEU 123 N -3.68 1.30 -0.14 0.66 2.96 -0.58 -1.38 118.68 117.82 3hmc s LEU 123 Ca 0.21 -0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 54.02 3hmc s LEU 123 Cb 0.04 -0.32 -0.02 0.00 0.50 0.00 0.00 46.19 46.38 3hmc s LEU 123 CO 0.11 -0.07 -0.06 -0.47 -1.32 0.00 0.00 176.35 174.54 3hmc s TYR 124 N 0.89 2.96 -0.16 5.38 5.04 0.19 -0.17 117.35 131.48 3hmc s TYR 124 Ca -0.10 -0.37 0.00 0.00 -2.44 0.00 0.00 57.07 54.16 3hmc s TYR 124 Cb -0.13 -1.91 0.03 0.00 0.35 0.00 0.00 41.96 40.30 3hmc s TYR 124 CO -0.01 -0.06 -0.11 0.08 -1.34 0.00 0.00 175.55 174.12 3hmc s VAL 125 N 0.28 1.46 0.89 3.14 1.01 -0.86 -0.78 120.40 125.54 3hmc s VAL 125 Ca -0.05 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.08 3hmc s VAL 125 Cb -0.14 -1.48 0.13 0.00 0.00 0.00 0.00 36.38 34.89 3hmc s VAL 125 CO 0.04 0.30 1.19 -0.83 0.00 0.00 0.00 175.10 175.79 3hmc s GLY 126 N 1.50 1.62 0.53 4.51 0.00 -0.20 -4.34 107.32 110.94 3hmc s GLY 126 Ca 0.02 -0.72 -0.22 0.00 0.00 0.00 0.00 44.72 43.80 3hmc s GLY 126 CO -0.09 -0.13 1.34 1.42 0.00 0.00 0.00 173.10 175.63 3hmc n HIS 127 N -3.64 2.25 -2.23 1.90 8.25 -1.26 -2.96 115.22 117.54 3hmc n HIS 127 Ca 0.09 0.44 -0.17 0.00 -0.26 0.00 0.00 57.72 57.82 3hmc n HIS 127 Cb 0.60 -2.36 -0.01 0.00 1.12 0.00 0.00 29.99 29.33 3hmc n HIS 127 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3hmc n HIS 128 N -0.89 -0.71 0.00 4.41 8.25 -1.26 -4.85 115.22 120.17 3hmc n HIS 128 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 3hmc n HIS 128 Cb 0.44 -3.35 0.00 0.00 1.12 0.00 0.00 29.99 28.20 3hmc n HIS 128 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3hmc n MET 129 N -2.60 2.50 0.19 -0.41 2.00 -1.15 -4.81 117.12 112.83 3hmc n MET 129 Ca -0.20 0.00 -0.07 0.00 0.00 0.00 0.00 57.70 57.43 3hmc n MET 129 Cb 0.64 -0.83 -0.04 0.00 0.00 0.00 0.00 33.22 33.00 3hmc n MET 129 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 3hmc h TYR 130 N 0.00 -0.45 -0.25 2.03 3.20 -1.89 -3.22 116.97 116.40 3hmc h TYR 130 Ca 0.00 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 3hmc h TYR 130 Cb 0.51 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 3hmc h TYR 130 CO 0.00 -0.28 -0.15 1.15 -1.64 0.00 0.00 178.16 177.25 3hmc h THR 131 N -0.52 1.30 -0.47 1.81 2.02 -1.96 -0.33 112.91 114.76 3hmc h THR 131 Ca -0.05 -1.25 0.13 0.00 0.77 0.00 0.00 66.41 66.01 3hmc h THR 131 Cb 0.37 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 3hmc h THR 131 CO 0.08 0.39 0.34 -0.65 0.37 0.00 0.00 175.52 176.05 3hmc h PRO 132 N 0.26 0.04 -0.03 6.66 0.11 -1.88 -2.34 132.00 134.82 3hmc h PRO 132 Ca 0.05 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3hmc h PRO 132 Cb 0.66 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.76 3hmc h PRO 132 CO 0.04 0.03 0.00 1.19 -0.21 0.00 0.00 178.00 179.05 3hmc n PHE 133 N -4.41 0.03 -3.31 0.65 3.01 -1.22 -5.00 117.46 107.21 3hmc n PHE 133 Ca 0.08 -0.03 -0.17 0.00 1.01 0.00 0.00 57.45 58.35 3hmc n PHE 133 Cb 0.52 -0.00 0.07 0.00 -0.01 0.00 0.00 39.48 40.06 3hmc n PHE 133 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hmc n GLY 134 N 0.69 -0.27 0.03 1.37 0.00 -0.63 -4.23 105.19 102.15 3hmc n GLY 134 Ca 0.08 0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.21 3hmc n GLY 134 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3hmc n MET 135 N -3.96 0.04 0.20 1.61 2.81 -0.23 -1.65 117.12 115.94 3hmc n MET 135 Ca -0.12 0.41 0.14 0.00 -1.81 0.00 0.00 57.70 56.32 3hmc n MET 135 Cb 0.60 -1.60 0.63 0.00 -0.71 0.00 0.00 33.22 32.14 3hmc n MET 135 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hmc h ALA 136 N 2.23 1.00 -0.02 3.04 0.00 -1.90 -2.40 119.26 121.22 3hmc h ALA 136 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hmc h ALA 136 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hmc h ALA 136 CO 0.00 0.00 -0.00 0.09 0.00 0.00 0.00 179.25 179.34 3hmc n ASN 137 N -2.57 1.51 -4.74 0.00 3.02 -0.66 -4.88 115.26 106.94 3hmc n ASN 137 Ca 0.01 -1.50 -0.41 0.00 -0.03 0.00 0.00 54.58 52.65 3hmc n ASN 137 Cb 0.22 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.35 3hmc n ASN 137 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hmc s VAL 138 N -2.01 3.88 -0.29 2.41 1.01 -0.90 -5.01 120.40 119.48 3hmc s VAL 138 Ca 0.38 1.66 -0.11 0.00 0.00 0.00 0.00 61.98 63.91 3hmc s VAL 138 Cb 0.21 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3hmc s VAL 138 CO 0.34 0.31 0.18 -0.54 0.00 0.00 0.00 175.10 175.38 3hmc s LYS 139 N -0.53 3.78 0.34 2.72 1.02 -1.26 -5.05 119.74 120.76 3hmc s LYS 139 Ca 0.48 -0.43 -0.10 0.00 0.02 0.00 0.00 55.97 55.94 3hmc s LYS 139 Cb -0.29 -3.64 0.02 0.00 -0.52 0.00 0.00 37.83 33.40 3hmc s LYS 139 CO 0.35 -0.25 0.60 -1.54 -0.92 0.00 0.00 175.35 173.59 3hmc s SER 140 N 1.72 0.35 0.27 2.83 1.04 -1.26 -4.95 113.70 113.71 3hmc s SER 140 Ca 0.07 -1.22 0.15 0.00 0.48 0.00 0.00 55.95 55.43 3hmc s SER 140 Cb -0.16 0.72 0.08 0.00 0.10 0.00 0.00 66.02 66.75 3hmc s SER 140 CO 0.10 -1.40 1.45 0.44 0.98 0.00 0.00 173.24 174.80 3hmc h ASP 141 N 2.09 0.00 -5.00 7.02 5.19 -1.15 -3.48 116.42 121.10 3hmc h ASP 141 Ca -0.29 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.10 3hmc h ASP 141 Cb 1.25 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.62 3hmc h ASP 141 CO 0.38 0.53 0.20 0.72 -3.12 0.00 0.00 179.24 177.95 3hmc s PHE 142 N -2.97 -0.56 0.03 4.55 -0.12 -1.22 -5.02 117.98 112.67 3hmc s PHE 142 Ca 0.04 0.50 0.09 0.00 -0.05 0.00 0.00 56.93 57.50 3hmc s PHE 142 Cb 0.08 0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 42.97 3hmc s PHE 142 CO 0.75 -0.80 -0.25 0.08 -0.05 0.00 0.00 175.22 174.95 3hmc s VAL 143 N -3.19 2.03 -0.09 -2.49 1.01 -1.26 -1.52 120.40 114.89 3hmc s VAL 143 Ca -0.02 -1.28 -0.01 0.00 0.00 0.00 0.00 61.98 60.68 3hmc s VAL 143 Cb -0.01 -1.72 0.03 0.00 0.00 0.00 0.00 36.38 34.68 3hmc s VAL 143 CO -0.08 0.40 -0.03 0.86 0.00 0.00 0.00 175.10 176.24 3hmc s TRP 144 N -0.74 1.02 0.02 5.22 -0.00 0.76 -0.23 118.94 124.98 3hmc s TRP 144 Ca 0.11 -0.42 0.02 0.00 -0.00 0.00 0.00 56.10 55.81 3hmc s TRP 144 Cb -0.10 -0.99 -0.01 0.00 -0.00 0.00 0.00 33.47 32.37 3hmc s TRP 144 CO 0.01 -0.41 -0.07 0.42 -0.00 0.00 0.00 176.95 176.90 3hmc s ILE 145 N 1.86 0.55 0.23 5.86 1.01 -0.56 -2.04 121.20 128.12 3hmc s ILE 145 Ca 0.05 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 60.07 3hmc s ILE 145 Cb -0.12 -0.53 -0.04 0.00 0.01 0.00 0.00 42.46 41.78 3hmc s ILE 145 CO -0.07 -0.07 0.42 -2.16 0.00 0.00 0.00 174.94 173.07 3hmc s PRO 146 N -0.76 3.51 -0.30 2.79 0.04 -1.26 -1.37 135.00 137.65 3hmc s PRO 146 Ca -0.02 -0.37 -0.15 0.00 0.04 0.00 0.00 61.00 60.50 3hmc s PRO 146 Cb -0.06 -2.81 0.18 0.00 0.04 0.00 0.00 34.50 31.85 3hmc s PRO 146 CO 0.00 0.35 1.11 0.50 0.04 0.00 0.00 177.00 179.00 3hmc s ARG 147 N -3.58 0.14 -0.16 4.56 3.52 -0.67 -4.77 118.95 117.99 3hmc s ARG 147 Ca 0.38 0.26 0.16 0.00 -0.13 0.00 0.00 55.73 56.41 3hmc s ARG 147 Cb -0.10 0.15 0.74 0.00 -1.56 0.00 0.00 34.95 34.17 3hmc s ARG 147 CO 0.30 -0.15 1.64 0.66 -0.81 0.00 0.00 175.30 176.95 3hmc n TYR 148 N 5.42 1.67 -0.68 5.12 0.53 -1.26 -4.31 117.16 123.65 3hmc n TYR 148 Ca -0.08 -0.62 0.09 0.00 -1.02 0.00 0.00 57.90 56.26 3hmc n TYR 148 Cb 0.54 -0.34 0.33 0.00 -1.03 0.00 0.00 39.34 38.84 3hmc n TYR 148 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3hmc n GLY 149 N 0.92 2.98 1.27 2.72 0.00 -1.26 -4.90 105.19 106.92 3hmc n GLY 149 Ca 0.26 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3hmc n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hmc n GLY 150 N 0.76 3.13 3.86 -0.02 0.00 -1.26 -5.02 105.19 106.64 3hmc n GLY 150 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 3hmc n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hmc s ASN 151 N -0.28 6.11 0.87 1.61 4.22 -1.26 -5.10 114.94 121.11 3hmc s ASN 151 Ca 0.00 0.24 -0.11 0.00 -2.14 0.00 0.00 52.86 50.85 3hmc s ASN 151 Cb 0.00 -1.84 0.11 0.00 1.28 0.00 0.00 41.25 40.80 3hmc s ASN 151 CO 0.00 0.23 1.10 -1.59 -2.04 0.00 0.00 177.10 174.80 3hmc s LYS 152 N -2.10 1.46 0.72 3.55 -2.85 -1.26 -4.78 119.74 114.47 3hmc s LYS 152 Ca 0.29 1.10 -0.16 0.00 -1.00 0.00 0.00 55.97 56.19 3hmc s LYS 152 Cb -0.13 -1.81 -0.01 0.00 -2.06 0.00 0.00 37.83 33.82 3hmc s LYS 152 CO 0.21 -2.18 0.77 -2.30 0.10 0.00 0.00 175.35 171.94 3hmc n PRO 153 N -3.88 0.41 0.00 1.78 -0.02 -1.26 -4.87 135.00 127.15 3hmc n PRO 153 Ca 0.08 0.19 0.10 0.00 -2.02 0.00 0.00 63.50 61.85 3hmc n PRO 153 Cb 0.54 -2.04 0.54 0.00 -0.02 0.00 0.00 33.50 32.51 3hmc n PRO 153 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hmc n ALA 154 N -2.46 2.12 -2.51 3.55 0.00 -1.26 -4.75 120.51 115.19 3hmc n ALA 154 Ca 0.12 -0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.31 3hmc n ALA 154 Cb 0.50 -1.33 -0.11 0.00 0.00 0.00 0.00 19.45 18.51 3hmc n ALA 154 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3hmc s TYR 155 N -2.43 1.07 0.39 0.00 1.51 -1.26 -5.12 117.35 111.51 3hmc s TYR 155 Ca 0.22 -0.63 -0.27 0.00 -1.01 0.00 0.00 57.07 55.37 3hmc s TYR 155 Cb 0.14 -0.59 -0.10 0.00 -0.11 0.00 0.00 41.96 41.30 3hmc s TYR 155 CO 0.29 0.01 1.40 -1.25 -1.11 0.00 0.00 175.55 174.89 3hmc s PRO 156 N -2.69 4.04 0.21 -1.71 0.04 -1.26 -5.00 135.00 128.63 3hmc s PRO 156 Ca 0.05 2.39 -0.17 0.00 0.04 0.00 0.00 61.00 63.31 3hmc s PRO 156 Cb -0.04 -2.88 0.02 0.00 0.04 0.00 0.00 34.50 31.64 3hmc s PRO 156 CO 0.00 -0.52 0.52 0.00 0.04 0.00 0.00 177.00 177.05 3hmc n ASP 158 N -0.35 0.15 -4.11 0.00 8.00 0.67 -3.22 116.55 117.69 3hmc n ASP 158 Ca -0.08 -0.01 -0.29 0.00 0.71 0.00 0.00 54.79 55.11 3hmc n ASP 158 Cb 0.62 0.89 -0.17 0.00 -0.02 0.00 0.00 41.12 42.45 3hmc n ASP 158 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hmc s ILE 159 N -2.49 1.65 -0.27 0.53 1.01 -0.74 -1.76 121.20 119.14 3hmc s ILE 159 Ca -0.12 -0.76 -0.05 0.00 0.00 0.00 0.00 60.65 59.72 3hmc s ILE 159 Cb 0.06 -1.47 0.01 0.00 0.01 0.00 0.00 42.46 41.06 3hmc s ILE 159 CO 0.81 0.47 0.02 0.86 0.00 0.00 0.00 174.94 177.11 3hmc s TRP 160 N 0.70 3.09 -0.65 3.97 -0.00 0.73 -1.50 118.94 125.28 3hmc s TRP 160 Ca -0.12 -1.05 -0.24 0.00 -0.00 0.00 0.00 56.10 54.69 3hmc s TRP 160 Cb -0.16 -2.18 0.06 0.00 -0.00 0.00 0.00 33.47 31.19 3hmc s TRP 160 CO 0.03 -0.59 1.02 -1.14 -0.00 0.00 0.00 176.95 176.27 3hmc s GLN 161 N 1.47 3.17 0.00 5.86 0.74 -0.47 -0.74 119.66 129.69 3hmc s GLN 161 Ca 0.03 -0.60 0.26 0.00 0.05 0.00 0.00 55.36 55.10 3hmc s GLN 161 Cb -0.16 -4.18 0.65 0.00 1.10 0.00 0.00 33.01 30.41 3hmc s GLN 161 CO -0.00 -1.80 1.50 2.48 -0.55 0.00 0.00 175.29 176.91 3hmc n TYR 162 N 7.96 0.00 -3.53 1.67 0.18 -0.77 -1.67 117.16 121.00 3hmc n TYR 162 Ca -0.01 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.62 3hmc n TYR 162 Cb 0.46 -0.18 -0.05 0.00 -0.38 0.00 0.00 39.34 39.19 3hmc n TYR 162 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 3hmc s THR 163 N -2.73 0.00 -0.11 -3.48 -1.32 -1.23 -4.22 115.64 102.55 3hmc s THR 163 Ca 0.18 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.67 3hmc s THR 163 Cb 0.18 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.21 3hmc s THR 163 CO 0.60 0.00 1.01 -1.84 -2.21 0.00 0.00 174.62 172.19 3hmc n GLU 164 N 0.70 2.86 -1.27 7.08 0.28 -1.26 -1.84 120.64 127.18 3hmc n GLU 164 Ca -0.16 -1.53 -0.00 0.00 -0.16 0.00 0.00 57.16 55.31 3hmc n GLU 164 Cb 0.58 -1.03 0.11 0.00 1.43 0.00 0.00 31.44 32.54 3hmc n GLU 164 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3hmc n THR 165 N -0.37 1.60 -1.67 3.84 -2.24 -1.24 -4.47 114.28 109.73 3hmc n THR 165 Ca 0.01 -2.79 -0.29 0.00 -2.27 0.00 0.00 64.05 58.72 3hmc n THR 165 Cb 0.26 0.08 0.13 0.00 -2.10 0.00 0.00 70.33 68.70 3hmc n THR 165 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hmc s GLY 166 N -3.02 1.60 -0.09 3.38 0.00 -0.29 -4.81 107.32 104.09 3hmc s GLY 166 Ca 0.38 -0.63 -0.03 0.00 0.00 0.00 0.00 44.72 44.44 3hmc s GLY 166 CO -0.08 -0.07 0.17 0.21 0.00 0.00 0.00 173.10 173.34 3hmc s ASN 167 N -4.27 0.39 -0.05 1.64 3.84 -1.26 -1.18 114.94 114.05 3hmc s ASN 167 Ca 0.64 0.37 0.04 0.00 0.21 0.00 0.00 52.86 54.12 3hmc s ASN 167 Cb -0.13 0.31 -0.00 0.00 -0.55 0.00 0.00 41.25 40.88 3hmc s ASN 167 CO 0.52 -0.21 -0.18 -0.69 -2.79 0.00 0.00 177.10 173.75 3hmc s VAL 168 N 1.92 1.52 0.15 -5.21 1.01 -0.95 -4.96 120.40 113.87 3hmc s VAL 168 Ca -0.01 -0.75 -0.34 0.00 0.00 0.00 0.00 61.98 60.87 3hmc s VAL 168 Cb -0.12 -1.31 -0.15 0.00 0.00 0.00 0.00 36.38 34.80 3hmc s VAL 168 CO -0.06 0.44 1.38 -2.65 0.00 0.00 0.00 175.10 174.21 3hmc n PRO 169 N 3.26 1.59 0.00 2.72 -0.02 -1.26 -0.96 135.00 140.33 3hmc n PRO 169 Ca -0.19 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3hmc n PRO 169 Cb 0.53 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3hmc n PRO 169 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hmc n GLY 170 N 2.61 2.38 0.01 -1.23 0.00 -1.26 -3.53 105.19 104.18 3hmc n GLY 170 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 3hmc n GLY 170 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hmc n ILE 171 N -2.00 0.13 -3.22 -0.61 5.41 -0.13 -1.15 119.36 117.78 3hmc n ILE 171 Ca 0.00 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.69 3hmc n ILE 171 Cb 0.00 -0.76 0.00 0.00 -0.71 0.00 0.00 39.64 38.17 3hmc n ILE 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hmc n GLY 172 N 3.15 -0.02 3.73 7.39 0.00 -0.31 -4.86 105.19 114.28 3hmc n GLY 172 Ca -0.03 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 3hmc n GLY 172 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hmc s LYS 173 N 0.00 4.22 0.22 1.61 2.20 -1.26 -2.25 119.74 124.48 3hmc s LYS 173 Ca 0.00 2.37 -0.22 0.00 -0.36 0.00 0.00 55.97 57.76 3hmc s LYS 173 Cb 0.00 -3.12 0.05 0.00 -1.51 0.00 0.00 37.83 33.25 3hmc s LYS 173 CO 0.00 -0.54 0.67 0.00 -0.36 0.00 0.00 175.35 175.12 3hmc s ASP 175 N -2.83 7.20 0.04 0.00 1.01 -1.26 -1.14 116.67 119.68 3hmc s ASP 175 Ca 0.06 1.45 0.07 0.00 0.71 0.00 0.00 52.55 54.83 3hmc s ASP 175 Cb -0.03 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 3hmc s ASP 175 CO -0.03 -0.19 -0.16 -0.76 0.21 0.00 0.00 175.17 174.24 3hmc s LEU 176 N 0.91 2.70 0.10 1.23 1.43 -0.77 -3.27 118.68 121.00 3hmc s LEU 176 Ca 0.45 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 53.22 3hmc s LEU 176 Cb -0.20 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 3hmc s LEU 176 CO 0.23 0.26 -0.13 0.20 0.23 0.00 0.00 176.35 177.14 3hmc s ASN 177 N -1.46 1.74 0.09 2.29 0.01 -0.14 -1.85 114.94 115.62 3hmc s ASN 177 Ca 0.15 -0.74 0.04 0.00 -0.71 0.00 0.00 52.86 51.61 3hmc s ASN 177 Cb -0.11 -0.04 -0.03 0.00 0.41 0.00 0.00 41.25 41.48 3hmc s ASN 177 CO 0.06 -0.15 -0.11 -0.94 -1.51 0.00 0.00 177.10 174.45 3hmc s SER 178 N -2.18 1.52 -0.25 -1.22 1.04 0.08 -3.91 113.70 108.77 3hmc s SER 178 Ca 0.04 -0.76 -0.15 0.00 0.48 0.00 0.00 55.95 55.55 3hmc s SER 178 Cb -0.06 -0.01 -0.04 0.00 0.10 0.00 0.00 66.02 66.01 3hmc s SER 178 CO 0.02 -0.21 0.38 -0.76 0.98 0.00 0.00 173.24 173.65 3hmc s LEU 179 N -2.28 4.07 -0.05 2.42 1.43 -1.26 -0.19 118.68 122.81 3hmc s LEU 179 Ca 0.04 0.36 0.14 0.00 -1.03 0.00 0.00 54.13 53.63 3hmc s LEU 179 Cb -0.05 -2.46 0.25 0.00 0.03 0.00 0.00 46.19 43.97 3hmc s LEU 179 CO 0.01 -0.16 1.11 2.30 0.23 0.00 0.00 176.35 179.84 3hmc n ILE 180 N 4.91 0.59 -0.60 -0.59 -5.35 -0.72 -4.98 119.36 112.60 3hmc n ILE 180 Ca -0.08 -1.15 0.00 0.00 -0.27 0.00 0.00 62.75 61.25 3hmc n ILE 180 Cb 0.51 0.47 0.00 0.00 -1.74 0.00 0.00 39.64 38.87 3hmc n ILE 180 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hmc n GLY 181 N -0.19 5.17 1.06 3.28 0.00 -1.20 -4.77 105.19 108.55 3hmc n GLY 181 Ca 0.07 -1.65 0.08 0.00 0.00 0.00 0.00 46.02 44.52 3hmc n GLY 181 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hmc n ASN 182 N 0.00 3.91 -4.38 1.61 0.23 -1.26 -4.91 115.26 110.47 3hmc n ASN 182 Ca 0.00 -2.51 -0.36 0.00 -0.53 0.00 0.00 54.58 51.18 3hmc n ASN 182 Cb 0.00 -0.46 -0.13 0.00 -2.08 0.00 0.00 39.78 37.11 3hmc n ASN 182 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3hmc s LYS 183 N -1.93 3.47 0.77 -3.83 -0.14 -1.26 -5.10 119.74 111.71 3hmc s LYS 183 Ca 0.39 -0.59 -0.12 0.00 -1.36 0.00 0.00 55.97 54.30 3hmc s LYS 183 Cb 0.27 -3.21 0.05 0.00 -1.68 0.00 0.00 37.83 33.26 3hmc s LYS 183 CO 0.16 -0.23 1.14 -1.54 -0.76 0.00 0.00 175.35 174.13 3hmc s SER 184 N 1.55 4.88 0.24 2.83 1.04 -1.26 -4.87 113.70 118.11 3hmc s SER 184 Ca 0.06 0.91 -0.06 0.00 0.48 0.00 0.00 55.95 57.33 3hmc s SER 184 Cb -0.15 -1.52 0.30 0.00 0.10 0.00 0.00 66.02 64.75 3hmc s SER 184 CO 0.01 -1.68 1.88 0.25 0.98 0.00 0.00 173.24 174.68 3hmc h LEU 185 N -0.89 0.95 -2.10 2.42 5.85 -2.00 -1.52 115.31 118.03 3hmc h LEU 185 Ca -0.46 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 3hmc h LEU 185 Cb 1.30 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 3hmc h LEU 185 CO 0.65 0.64 -0.05 0.77 -0.34 0.00 0.00 178.44 180.11 3hmc h SER 186 N 1.10 0.00 -0.03 1.25 4.64 -1.97 -0.68 113.55 117.86 3hmc h SER 186 Ca 0.37 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.62 3hmc h SER 186 Cb 0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 3hmc h SER 186 CO -0.13 0.05 -0.16 -0.25 -0.87 0.00 0.00 176.83 175.46 3hmc h TRP 187 N 0.00 0.40 0.13 4.77 7.01 -1.64 -0.03 115.95 126.60 3hmc h TRP 187 Ca -0.00 -0.06 -0.30 0.00 2.11 0.00 0.00 58.89 60.64 3hmc h TRP 187 Cb 0.11 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 27.06 3hmc h TRP 187 CO 0.00 0.53 -1.51 0.74 -2.79 0.00 0.00 178.44 175.40 3hmc h PHE 188 N 0.35 0.51 0.00 2.65 -1.00 -1.19 -3.38 116.94 114.88 3hmc h PHE 188 Ca 0.06 -0.37 -0.13 0.00 2.81 0.00 0.00 57.97 60.34 3hmc h PHE 188 Cb 0.50 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 40.02 3hmc h PHE 188 CO 0.01 1.59 -0.61 1.79 -1.61 0.00 0.00 178.31 179.48 3hmc h THR 189 N -0.19 1.13 0.00 -1.55 1.35 -1.18 -3.44 112.91 109.03 3hmc h THR 189 Ca -0.32 -2.38 0.00 0.00 -0.55 0.00 0.00 66.41 63.16 3hmc h THR 189 Cb 1.85 2.41 0.00 0.00 -1.73 0.00 0.00 68.15 70.69 3hmc h THR 189 CO 0.09 0.60 0.00 -0.62 -0.25 0.00 0.00 175.52 175.34