#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hnn n LYS 5 N 0.00 2.68 -1.83 -1.46 2.85 -1.26 -4.95 118.16 114.19 3hnn n LYS 5 Ca 0.00 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.94 3hnn n LYS 5 Cb 0.00 -0.28 0.03 0.00 -0.65 0.00 0.00 35.03 34.14 3hnn n LYS 5 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 3hnn s PRO 6 N -0.19 3.06 0.14 -1.58 0.04 -1.26 -4.69 135.00 130.52 3hnn s PRO 6 Ca 0.00 1.19 -0.30 0.00 0.04 0.00 0.00 61.00 61.93 3hnn s PRO 6 Cb 0.00 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.47 3hnn s PRO 6 CO 0.00 -1.02 1.08 1.03 0.04 0.00 0.00 177.00 178.14 3hnn s ARG 7 N -4.34 4.59 0.28 4.56 0.52 -1.26 -4.84 118.95 118.47 3hnn s ARG 7 Ca 0.63 1.66 0.04 0.00 -0.52 0.00 0.00 55.73 57.54 3hnn s ARG 7 Cb -0.17 -3.32 -0.04 0.00 0.52 0.00 0.00 34.95 31.95 3hnn s ARG 7 CO 0.43 0.04 0.20 0.16 0.02 0.00 0.00 175.30 176.15 3hnn s ASP 8 N 0.15 1.18 -0.17 0.23 1.47 -1.20 -4.98 116.67 113.36 3hnn s ASP 8 Ca 0.50 -1.59 0.01 0.00 1.18 0.00 0.00 52.55 52.65 3hnn s ASP 8 Cb -0.28 0.45 0.01 0.00 -0.34 0.00 0.00 42.92 42.77 3hnn s ASP 8 CO 0.33 -0.94 -0.17 -0.69 0.68 0.00 0.00 175.17 174.37 3hnn s VAL 9 N -3.71 2.38 -0.33 2.11 1.01 -1.26 -0.43 120.40 120.18 3hnn s VAL 9 Ca 0.39 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 61.36 3hnn s VAL 9 Cb 0.05 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 3hnn s VAL 9 CO 0.20 0.52 0.38 -1.58 0.00 0.00 0.00 175.10 174.62 3hnn s GLN 10 N 1.09 3.66 -0.14 2.72 0.74 -0.02 -4.91 119.66 122.81 3hnn s GLN 10 Ca -0.00 -0.30 -0.05 0.00 0.05 0.00 0.00 55.36 55.06 3hnn s GLN 10 Cb -0.14 -3.77 -0.04 0.00 1.10 0.00 0.00 33.01 30.16 3hnn s GLN 10 CO -0.06 -0.49 0.04 0.08 -0.55 0.00 0.00 175.29 174.31 3hnn s VAL 11 N 2.07 4.64 -0.16 1.34 1.01 -1.26 -0.66 120.40 127.37 3hnn s VAL 11 Ca 0.13 -0.10 -0.13 0.00 0.00 0.00 0.00 61.98 61.87 3hnn s VAL 11 Cb -0.16 -3.03 0.05 0.00 0.00 0.00 0.00 36.38 33.24 3hnn s VAL 11 CO 0.12 0.54 0.43 -0.22 0.00 0.00 0.00 175.10 175.96 3hnn s LEU 12 N -0.25 0.23 0.29 3.92 2.96 -0.73 -5.00 118.68 120.10 3hnn s LEU 12 Ca 0.07 0.88 -0.29 0.00 -0.22 0.00 0.00 54.13 54.57 3hnn s LEU 12 Cb -0.12 1.45 -0.10 0.00 0.50 0.00 0.00 46.19 47.92 3hnn s LEU 12 CO 0.02 -0.16 1.37 -2.84 -1.32 0.00 0.00 176.35 173.42 3hnn s PRO 13 N 0.54 4.31 0.00 0.98 0.02 -1.26 -0.67 135.00 138.92 3hnn s PRO 13 Ca -0.03 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.25 3hnn s PRO 13 Cb -0.04 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.38 3hnn s PRO 13 CO -0.03 -0.31 0.00 0.44 -0.33 0.00 0.00 177.00 176.77 3hnn n ILE 14 N 1.58 0.00 -3.69 2.83 -5.35 -0.21 -4.90 119.36 109.62 3hnn n ILE 14 Ca 0.03 -0.38 0.04 0.00 -0.27 0.00 0.00 62.75 62.17 3hnn n ILE 14 Cb 0.41 0.97 0.00 0.00 -1.74 0.00 0.00 39.64 39.28 3hnn n ILE 14 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hnn s ALA 15 N -0.85 -2.53 -0.16 -1.28 0.00 -1.21 -5.03 121.76 110.71 3hnn s ALA 15 Ca 0.00 0.70 -0.39 0.00 0.00 0.00 0.00 51.96 52.27 3hnn s ALA 15 Cb 0.00 0.44 -0.16 0.00 0.00 0.00 0.00 23.12 23.40 3hnn s ALA 15 CO 0.00 -1.09 1.60 2.41 0.00 0.00 0.00 175.76 178.68 3hnn n THR 16 N -0.62 0.20 -1.28 0.00 -1.04 -1.26 -1.15 114.28 109.13 3hnn n THR 16 Ca -0.06 -0.04 -0.10 0.00 -2.04 0.00 0.00 64.05 61.82 3hnn n THR 16 Cb 0.62 -1.06 -0.04 0.00 -1.82 0.00 0.00 70.33 68.03 3hnn n THR 16 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3hnn n ASN 17 N 4.35 -5.54 -4.14 8.00 5.03 -1.26 -4.92 115.26 116.78 3hnn n ASN 17 Ca 0.24 0.25 -0.28 0.00 0.87 0.00 0.00 54.58 55.66 3hnn n ASN 17 Cb 0.15 -4.05 -0.17 0.00 -1.02 0.00 0.00 39.78 34.69 3hnn n ASN 17 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3hnn s THR 18 N -1.84 1.60 0.09 3.41 2.01 -0.30 -1.05 115.64 119.55 3hnn s THR 18 Ca 0.00 -0.77 0.05 0.00 0.31 0.00 0.00 61.69 61.28 3hnn s THR 18 Cb 0.00 -1.39 -0.03 0.00 0.01 0.00 0.00 72.50 71.08 3hnn s THR 18 CO 0.00 0.46 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.71 3hnn s LYS 19 N 0.30 0.89 0.04 4.92 1.02 -0.52 -1.05 119.74 125.34 3hnn s LYS 19 Ca -0.12 -1.05 0.03 0.00 0.02 0.00 0.00 55.97 54.85 3hnn s LYS 19 Cb -0.15 -0.85 -0.04 0.00 -0.52 0.00 0.00 37.83 36.27 3hnn s LYS 19 CO 0.05 0.18 0.00 0.54 -0.92 0.00 0.00 175.35 175.20 3hnn s VAL 20 N -1.58 4.12 -0.29 3.17 0.11 0.15 -1.37 120.40 124.72 3hnn s VAL 20 Ca 0.02 -0.75 0.02 0.00 -2.93 0.00 0.00 61.98 58.34 3hnn s VAL 20 Cb -0.08 -2.89 0.08 0.00 -1.53 0.00 0.00 36.38 31.96 3hnn s VAL 20 CO 0.02 0.27 0.00 -0.76 -3.33 0.00 0.00 175.10 171.30 3hnn s LEU 21 N -1.88 3.54 -0.41 2.54 1.02 0.84 -1.76 118.68 122.57 3hnn s LEU 21 Ca 0.22 -1.68 -0.18 0.00 0.02 0.00 0.00 54.13 52.52 3hnn s LEU 21 Cb -0.12 -1.37 0.02 0.00 0.02 0.00 0.00 46.19 44.74 3hnn s LEU 21 CO 0.14 -0.31 0.48 -0.13 0.02 0.00 0.00 176.35 176.54 3hnn s ARG 22 N 1.18 3.23 -0.27 1.70 0.52 0.16 -0.91 118.95 124.57 3hnn s ARG 22 Ca 0.03 -0.59 -0.28 0.00 -0.52 0.00 0.00 55.73 54.37 3hnn s ARG 22 Cb -0.19 -3.93 0.01 0.00 0.52 0.00 0.00 34.95 31.36 3hnn s ARG 22 CO -0.10 -0.83 1.01 0.00 0.02 0.00 0.00 175.30 175.40 3hnn s ALA 23 N 2.28 3.60 -0.09 2.13 0.00 0.00 -0.84 121.76 128.84 3hnn s ALA 23 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 51.96 52.09 3hnn s ALA 23 Cb -0.16 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 3hnn s ALA 23 CO 0.14 -1.22 -0.02 1.03 0.00 0.00 0.00 175.76 175.69 3hnn s ARG 24 N 3.32 3.02 -0.05 0.00 0.52 0.43 -1.02 118.95 125.16 3hnn s ARG 24 Ca 0.43 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 55.18 3hnn s ARG 24 Cb -0.14 -2.76 0.02 0.00 0.52 0.00 0.00 34.95 32.60 3hnn s ARG 24 CO 0.10 0.63 -0.03 0.45 0.02 0.00 0.00 175.30 176.47 3hnn s SER 25 N -0.68 1.14 0.00 0.23 0.15 -0.47 -3.22 113.70 110.85 3hnn s SER 25 Ca 0.11 -0.11 0.28 0.00 0.70 0.00 0.00 55.95 56.93 3hnn s SER 25 Cb -0.12 -0.44 1.13 0.00 -1.71 0.00 0.00 66.02 64.88 3hnn s SER 25 CO 0.02 -0.10 1.83 0.79 1.20 0.00 0.00 173.24 176.97 3hnn n TRP 26 N 4.42 0.00 -4.56 3.44 7.02 -1.26 -0.66 117.44 125.83 3hnn n TRP 26 Ca -0.19 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.01 3hnn n TRP 26 Cb 0.50 -0.34 -0.08 0.00 -2.42 0.00 0.00 31.31 28.98 3hnn n TRP 26 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3hnn s SER 27 N -2.80 3.07 0.51 -0.99 1.04 -1.26 -3.55 113.70 109.72 3hnn s SER 27 Ca 0.19 -1.72 -0.22 0.00 0.48 0.00 0.00 55.95 54.68 3hnn s SER 27 Cb 0.19 0.60 -0.07 0.00 0.10 0.00 0.00 66.02 66.84 3hnn s SER 27 CO 0.54 -0.97 1.18 -2.11 0.98 0.00 0.00 173.24 172.85 3hnn n ARG 28 N -1.00 1.48 -0.02 4.02 0.00 -1.26 -4.31 116.66 115.58 3hnn n ARG 28 Ca -0.08 0.54 -0.07 0.00 -0.00 0.00 0.00 57.85 58.24 3hnn n ARG 28 Cb 0.65 -2.33 -0.13 0.00 -0.00 0.00 0.00 32.46 30.65 3hnn n ARG 28 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3hnn n LEU 29 N -0.39 0.76 -3.81 2.89 7.94 -1.26 -4.97 117.00 118.16 3hnn n LEU 29 Ca 0.10 0.36 -0.11 0.00 -1.11 0.00 0.00 56.01 55.25 3hnn n LEU 29 Cb 0.43 0.19 -0.08 0.00 0.53 0.00 0.00 43.42 44.49 3hnn n LEU 29 CO 0.54 0.34 -0.05 -0.13 -1.11 0.00 0.00 177.39 176.99 3hnn s ARG 30 N -2.67 0.75 -1.38 1.96 1.81 -1.26 -5.07 118.95 113.10 3hnn s ARG 30 Ca -0.05 -0.59 -0.09 0.00 -1.72 0.00 0.00 55.73 53.28 3hnn s ARG 30 Cb 0.08 0.32 -0.06 0.00 -0.45 0.00 0.00 34.95 34.83 3hnn s ARG 30 CO 0.82 -0.23 2.92 1.19 -0.68 0.00 0.00 175.30 179.32 3hnn n PHE 31 N 0.61 2.19 -4.48 -0.53 3.72 -1.26 -4.80 117.46 112.92 3hnn n PHE 31 Ca -0.19 -2.86 -0.23 0.00 -0.05 0.00 0.00 57.45 54.12 3hnn n PHE 31 Cb 0.59 -2.25 -0.10 0.00 -0.94 0.00 0.00 39.48 36.78 3hnn n PHE 31 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3hnn s GLU 32 N 1.29 1.67 0.59 -1.08 0.41 -1.26 -5.04 118.70 115.28 3hnn s GLU 32 Ca 0.66 -1.83 0.30 0.00 -0.41 0.00 0.00 54.97 53.69 3hnn s GLU 32 Cb 0.20 -1.49 1.79 0.00 -1.78 0.00 0.00 34.13 32.86 3hnn s GLU 32 CO -0.07 0.14 2.23 -0.84 -0.49 0.00 0.00 175.26 176.23 3hnn h ILE 33 N 2.19 0.51 -0.72 -1.63 3.07 -2.01 -2.39 117.51 116.53 3hnn h ILE 33 Ca -0.41 0.00 0.12 0.00 1.55 0.00 0.00 64.86 66.13 3hnn h ILE 33 Cb 1.24 0.97 -0.05 0.00 -0.27 0.00 0.00 36.82 38.71 3hnn h ILE 33 CO 0.67 0.00 0.48 -0.33 -1.05 0.00 0.00 178.15 177.92 3hnn h GLU 34 N 0.00 0.48 -0.58 0.16 3.07 -1.96 -1.89 114.58 113.86 3hnn h GLU 34 Ca 0.02 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3hnn h GLU 34 Cb 0.10 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 3hnn h GLU 34 CO -0.00 0.32 0.00 0.66 -1.40 0.00 0.00 179.01 178.59 3hnn n TYR 35 N -4.49 0.77 0.31 4.33 4.01 -0.90 -4.63 117.16 116.57 3hnn n TYR 35 Ca 0.13 -0.39 0.19 0.00 -0.16 0.00 0.00 57.90 57.68 3hnn n TYR 35 Cb 0.44 0.00 1.04 0.00 -0.31 0.00 0.00 39.34 40.51 3hnn n TYR 35 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hnn h ALA 36 N 4.38 1.15 0.00 -0.72 0.00 -1.43 0.08 119.26 122.72 3hnn h ALA 36 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hnn h ALA 36 Cb 0.95 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3hnn h ALA 36 CO 0.00 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.55 3hnn n LEU 37 N -3.32 0.00 -3.39 0.00 4.77 -1.26 -4.96 117.00 108.85 3hnn n LEU 37 Ca -0.02 0.19 -0.17 0.00 -0.03 0.00 0.00 56.01 55.97 3hnn n LEU 37 Cb 0.12 -0.19 0.07 0.00 -2.33 0.00 0.00 43.42 41.09 3hnn n LEU 37 CO 0.24 -0.00 0.04 -0.62 -1.33 0.00 0.00 177.39 175.71 3hnn n GLU 38 N -1.19 -3.92 -0.09 3.23 -0.58 0.01 -4.94 120.64 113.16 3hnn n GLU 38 Ca 0.17 0.81 0.02 0.00 -0.42 0.00 0.00 57.16 57.74 3hnn n GLU 38 Cb 0.19 -5.66 0.03 0.00 -0.57 0.00 0.00 31.44 25.43 3hnn n GLU 38 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3hnn n ARG 39 N -3.70 1.28 0.00 3.49 1.74 -1.26 -5.05 116.66 113.15 3hnn n ARG 39 Ca -0.17 -1.32 0.00 0.00 -0.77 0.00 0.00 57.85 55.59 3hnn n ARG 39 Cb 0.64 -0.86 0.00 0.00 -1.02 0.00 0.00 32.46 31.22 3hnn n ARG 39 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hnn n GLY 40 N -0.44 -1.03 3.84 -0.13 0.00 -1.23 -0.80 105.19 105.39 3hnn n GLY 40 Ca 0.03 -1.16 -0.07 0.00 0.00 0.00 0.00 46.02 44.82 3hnn n GLY 40 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hnn s THR 41 N 0.00 0.00 0.11 2.61 -1.32 0.16 -3.16 115.64 114.04 3hnn s THR 41 Ca 0.00 -0.98 0.06 0.00 -1.21 0.00 0.00 61.69 59.56 3hnn s THR 41 Cb 0.00 -1.97 -0.04 0.00 -1.51 0.00 0.00 72.50 68.98 3hnn s THR 41 CO 0.00 -0.00 -0.14 0.42 -2.21 0.00 0.00 174.62 172.69 3hnn s THR 42 N -3.92 1.31 -0.28 5.08 -4.23 -1.26 -1.36 115.64 110.99 3hnn s THR 42 Ca 0.11 -1.64 -0.03 0.00 -1.18 0.00 0.00 61.69 58.95 3hnn s THR 42 Cb -0.06 -1.46 0.03 0.00 1.34 0.00 0.00 72.50 72.35 3hnn s THR 42 CO 0.06 -0.37 0.00 -0.55 -0.54 0.00 0.00 174.62 173.23 3hnn s SER 43 N -2.31 4.71 -0.23 3.99 0.15 -0.19 -3.42 113.70 116.41 3hnn s SER 43 Ca 0.07 -0.90 -0.10 0.00 0.70 0.00 0.00 55.95 55.71 3hnn s SER 43 Cb -0.06 -1.75 -0.05 0.00 -1.71 0.00 0.00 66.02 62.45 3hnn s SER 43 CO 0.03 -0.18 0.15 0.20 1.20 0.00 0.00 173.24 174.64 3hnn s ASN 44 N 1.37 6.15 0.23 5.45 0.01 0.38 -0.82 114.94 127.71 3hnn s ASN 44 Ca -0.00 0.15 0.11 0.00 -0.71 0.00 0.00 52.86 52.41 3hnn s ASN 44 Cb -0.17 -2.10 -0.05 0.00 0.41 0.00 0.00 41.25 39.34 3hnn s ASN 44 CO -0.01 0.10 -0.17 -0.55 -1.51 0.00 0.00 177.10 174.96 3hnn s SER 45 N 0.83 3.79 0.08 -1.22 0.15 -0.09 -4.71 113.70 112.53 3hnn s SER 45 Ca 0.08 -0.84 0.04 0.00 0.70 0.00 0.00 55.95 55.92 3hnn s SER 45 Cb -0.13 -0.43 -0.03 0.00 -1.71 0.00 0.00 66.02 63.72 3hnn s SER 45 CO 0.02 0.07 -0.10 -0.31 1.20 0.00 0.00 173.24 174.13 3hnn s TYR 46 N -2.05 1.00 -0.07 3.44 1.51 -0.65 -0.11 117.35 120.42 3hnn s TYR 46 Ca 0.26 -0.60 0.00 0.00 -1.01 0.00 0.00 57.07 55.72 3hnn s TYR 46 Cb -0.07 -0.56 0.02 0.00 -0.11 0.00 0.00 41.96 41.25 3hnn s TYR 46 CO 0.14 -0.01 -0.05 0.08 -1.11 0.00 0.00 175.55 174.59 3hnn s VAL 47 N -2.07 0.70 -0.16 0.71 1.01 -0.47 -0.28 120.40 119.84 3hnn s VAL 47 Ca 0.01 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.86 3hnn s VAL 47 Cb -0.05 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.59 3hnn s VAL 47 CO 0.00 0.29 -0.20 -0.63 0.00 0.00 0.00 175.10 174.56 3hnn s ILE 48 N 1.41 2.03 -0.54 2.22 1.01 0.08 -1.44 121.20 125.97 3hnn s ILE 48 Ca -0.02 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 59.67 3hnn s ILE 48 Cb -0.13 -1.82 0.14 0.00 0.01 0.00 0.00 42.46 40.66 3hnn s ILE 48 CO -0.03 0.54 0.34 -1.61 0.00 0.00 0.00 174.94 174.18 3hnn s GLU 49 N 1.13 2.30 0.00 2.79 2.02 -0.22 -1.60 118.70 125.12 3hnn s GLU 49 Ca 0.01 -2.32 0.00 0.00 0.02 0.00 0.00 54.97 52.67 3hnn s GLU 49 Cb -0.14 -3.63 0.00 0.00 0.10 0.00 0.00 34.13 30.47 3hnn s GLU 49 CO -0.09 -1.13 0.00 0.41 0.02 0.00 0.00 175.26 174.47 3hnn n GLY 50 N 3.77 1.36 0.11 -1.39 0.00 -1.26 -4.80 105.19 102.98 3hnn n GLY 50 Ca 0.05 -1.17 -0.04 0.00 0.00 0.00 0.00 46.02 44.86 3hnn n GLY 50 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hnn h ASP 51 N 0.00 0.02 -2.16 1.61 3.32 -0.32 -3.43 116.42 115.46 3hnn h ASP 51 Ca 0.00 -0.02 -0.55 0.00 0.02 0.00 0.00 57.03 56.48 3hnn h ASP 51 Cb 0.00 -0.01 -0.09 0.00 0.22 0.00 0.00 39.33 39.45 3hnn h ASP 51 CO 0.00 0.77 -0.62 -0.54 -1.72 0.00 0.00 179.24 177.13 3hnn s LYS 52 N -3.31 2.35 -0.07 3.56 1.02 0.17 -5.01 119.74 118.45 3hnn s LYS 52 Ca -0.01 -1.41 0.05 0.00 0.02 0.00 0.00 55.97 54.62 3hnn s LYS 52 Cb 0.12 -2.19 -0.00 0.00 -0.52 0.00 0.00 37.83 35.23 3hnn s LYS 52 CO 0.79 0.33 -0.22 0.99 -0.92 0.00 0.00 175.35 176.32 3hnn s THR 53 N -2.33 1.85 0.01 2.17 2.01 -1.26 -4.55 115.64 113.55 3hnn s THR 53 Ca 0.32 -0.93 0.06 0.00 0.31 0.00 0.00 61.69 61.46 3hnn s THR 53 Cb -0.06 -1.59 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 3hnn s THR 53 CO 0.21 0.52 -0.20 0.00 -0.69 0.00 0.00 174.62 174.46 3hnn s ALA 54 N 0.12 1.64 0.13 7.40 0.00 -0.63 -1.54 121.76 128.89 3hnn s ALA 54 Ca -0.10 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 50.99 3hnn s ALA 54 Cb -0.15 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 3hnn s ALA 54 CO 0.05 0.38 0.04 0.96 0.00 0.00 0.00 175.76 177.19 3hnn s ILE 55 N -0.62 4.07 -0.10 0.00 -4.36 -0.54 -0.74 121.20 118.90 3hnn s ILE 55 Ca 0.07 -1.14 0.03 0.00 -0.26 0.00 0.00 60.65 59.35 3hnn s ILE 55 Cb -0.08 -3.01 0.01 0.00 1.25 0.00 0.00 42.46 40.63 3hnn s ILE 55 CO 0.00 -0.01 -0.18 -0.63 0.24 0.00 0.00 174.94 174.37 3hnn s ILE 56 N -1.55 1.64 -0.77 8.37 1.01 0.62 -0.70 121.20 129.81 3hnn s ILE 56 Ca 0.28 -0.75 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 3hnn s ILE 56 Cb -0.11 -1.46 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 3hnn s ILE 56 CO 0.20 0.47 0.72 0.47 0.00 0.00 0.00 174.94 176.80 3hnn n ASP 57 N 3.91 -7.64 -4.71 3.58 8.00 -0.12 -1.63 116.55 117.94 3hnn n ASP 57 Ca -0.20 -0.15 -0.39 0.00 0.71 0.00 0.00 54.79 54.76 3hnn n ASP 57 Cb 0.52 -5.23 0.04 0.00 -0.02 0.00 0.00 41.12 36.42 3hnn n ASP 57 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3hnn n PRO 58 N -1.93 1.62 -1.94 -0.24 -0.02 -1.26 -4.31 135.00 126.92 3hnn n PRO 58 Ca -0.01 0.59 -0.28 0.00 -2.02 0.00 0.00 63.50 61.78 3hnn n PRO 58 Cb 0.52 -2.45 0.19 0.00 -0.02 0.00 0.00 33.50 31.73 3hnn n PRO 58 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3hnn n PRO 59 N -0.72 -1.12 -1.35 0.52 -0.04 -1.26 -5.03 135.00 126.01 3hnn n PRO 59 Ca 0.10 -2.09 -0.32 0.00 -0.04 0.00 0.00 63.50 61.15 3hnn n PRO 59 Cb 0.44 -1.25 0.09 0.00 -0.04 0.00 0.00 33.50 32.73 3hnn n PRO 59 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3hnn s VAL 60 N -3.73 3.17 0.61 0.52 -7.23 -1.26 -4.71 120.40 107.76 3hnn s VAL 60 Ca 0.72 0.43 0.29 0.00 -1.81 0.00 0.00 61.98 61.61 3hnn s VAL 60 Cb -0.02 -2.88 0.36 0.00 0.56 0.00 0.00 36.38 34.39 3hnn s VAL 60 CO 0.50 -0.45 1.99 1.05 -0.31 0.00 0.00 175.10 177.88 3hnn h GLU 61 N -0.86 0.00 0.00 4.82 4.11 -1.89 0.10 114.58 120.86 3hnn h GLU 61 Ca -0.44 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.95 3hnn h GLU 61 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 3hnn h GLU 61 CO 0.51 0.00 -0.15 0.66 0.07 0.00 0.00 179.01 180.10 3hnn h SER 62 N 0.00 0.00 -2.59 3.06 4.64 -1.91 -3.40 113.55 113.35 3hnn h SER 62 Ca 0.12 0.00 -0.76 0.00 -0.47 0.00 0.00 61.79 60.68 3hnn h SER 62 Cb 0.80 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.58 3hnn h SER 62 CO -0.00 0.15 0.49 0.49 -0.87 0.00 0.00 176.83 177.09 3hnn n PHE 63 N -3.61 2.73 0.00 4.77 3.72 0.36 -4.94 117.46 120.49 3hnn n PHE 63 Ca -0.01 -2.96 0.00 0.00 -0.05 0.00 0.00 57.45 54.43 3hnn n PHE 63 Cb 0.28 -1.06 0.00 0.00 -0.94 0.00 0.00 39.48 37.76 3hnn n PHE 63 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3hnn n LYS 65 N 0.81 0.00 0.11 -1.08 4.81 -1.26 -1.34 118.16 120.21 3hnn n LYS 65 Ca 0.32 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.77 3hnn n LYS 65 Cb 0.33 0.00 0.36 0.00 0.02 0.00 0.00 35.03 35.74 3hnn n LYS 65 CO 0.00 0.00 0.00 -0.84 1.17 0.00 0.00 177.40 177.73 3hnn h ILE 66 N 0.00 1.20 0.23 3.15 3.07 -1.96 -2.23 117.51 120.97 3hnn h ILE 66 Ca 0.00 -0.92 -0.01 0.00 1.55 0.00 0.00 64.86 65.48 3hnn h ILE 66 Cb 0.00 1.30 0.00 0.00 -0.27 0.00 0.00 36.82 37.85 3hnn h ILE 66 CO 0.00 0.28 -0.11 0.22 -1.05 0.00 0.00 178.15 177.49 3hnn h TYR 67 N 0.22 -0.28 -0.82 0.16 3.20 -1.62 -1.86 116.97 115.97 3hnn h TYR 67 Ca 0.04 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3hnn h TYR 67 Cb 0.46 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.78 3hnn h TYR 67 CO 0.01 -0.01 0.46 -0.07 -1.64 0.00 0.00 178.16 176.91 3hnn h LEU 68 N -0.53 1.01 -0.16 2.82 3.38 -1.78 0.13 115.31 120.18 3hnn h LEU 68 Ca -0.03 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3hnn h LEU 68 Cb 0.40 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3hnn h LEU 68 CO 0.05 0.80 0.05 -0.33 0.09 0.00 0.00 178.44 179.11 3hnn h GLU 69 N 1.14 0.13 -0.57 1.13 5.08 -1.40 -2.09 114.58 118.00 3hnn h GLU 69 Ca 0.29 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.57 3hnn h GLU 69 Cb 0.01 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3hnn h GLU 69 CO -0.05 0.08 0.04 0.00 -1.00 0.00 0.00 179.01 178.09 3hnn h ALA 70 N 1.10 1.00 -0.56 3.43 0.00 -0.74 -2.76 119.26 120.73 3hnn h ALA 70 Ca 0.07 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 3hnn h ALA 70 Cb 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3hnn h ALA 70 CO -0.07 0.62 0.01 1.25 0.00 0.00 0.00 179.25 181.06 3hnn h LEU 71 N 0.88 0.93 -1.55 0.00 5.85 -0.69 -2.22 115.31 118.52 3hnn h LEU 71 Ca 0.17 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 3hnn h LEU 71 Cb 0.46 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3hnn h LEU 71 CO 0.02 0.99 -0.10 1.56 -0.34 0.00 0.00 178.44 180.57 3hnn h GLN 72 N 0.89 0.17 0.00 1.25 4.20 -1.20 -0.17 115.11 120.25 3hnn h GLN 72 Ca 0.16 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3hnn h GLN 72 Cb 0.51 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3hnn h GLN 72 CO 0.03 0.28 0.00 1.96 -0.67 0.00 0.00 178.83 180.42 3hnn h GLN 73 N 0.16 0.00 0.00 1.46 4.20 -1.12 -3.34 115.11 116.47 3hnn h GLN 73 Ca 0.04 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.37 3hnn h GLN 73 Cb 0.28 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.99 3hnn h GLN 73 CO 0.02 0.00 -2.44 2.41 -0.67 0.00 0.00 178.83 178.15 3hnn n THR 74 N -3.03 1.45 -3.85 -0.54 -1.04 -0.56 -5.02 114.28 101.68 3hnn n THR 74 Ca 0.01 -0.55 -0.12 0.00 -2.04 0.00 0.00 64.05 61.36 3hnn n THR 74 Cb 0.35 -1.40 -0.10 0.00 -1.82 0.00 0.00 70.33 67.36 3hnn n THR 74 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3hnn s VAL 75 N -2.50 0.08 -0.32 12.58 -7.23 -0.18 -5.11 120.40 117.71 3hnn s VAL 75 Ca -0.34 -0.62 -0.29 0.00 -1.81 0.00 0.00 61.98 58.92 3hnn s VAL 75 Cb 0.09 -0.46 -0.01 0.00 0.56 0.00 0.00 36.38 36.56 3hnn s VAL 75 CO 0.58 -0.34 1.64 0.21 -0.31 0.00 0.00 175.10 176.88 3hnn s ASN 76 N -1.31 6.15 0.46 4.85 2.47 -1.26 -4.32 114.94 121.98 3hnn s ASN 76 Ca -0.14 1.27 0.12 0.00 0.42 0.00 0.00 52.86 54.53 3hnn s ASN 76 Cb -0.07 -2.53 1.03 0.00 -1.45 0.00 0.00 41.25 38.23 3hnn s ASN 76 CO 0.02 -1.50 2.07 -0.07 -3.72 0.00 0.00 177.10 173.89 3hnn h LEU 77 N 12.71 0.18 -1.70 3.21 3.38 -1.90 -1.16 115.31 130.03 3hnn h LEU 77 Ca -0.32 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3hnn h LEU 77 Cb 1.15 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3hnn h LEU 77 CO 1.04 0.19 0.00 0.11 0.09 0.00 0.00 178.44 179.86 3hnn h LYS 78 N 0.21 0.00 -0.39 1.13 1.57 -1.90 -2.79 116.57 114.39 3hnn h LYS 78 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3hnn h LYS 78 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3hnn h LYS 78 CO -0.00 0.00 0.00 0.36 -0.57 0.00 0.00 179.45 179.24 3hnn n LYS 79 N -2.92 2.38 -2.06 3.15 -0.00 -0.44 -4.92 118.16 113.34 3hnn n LYS 79 Ca -0.00 -2.16 -0.42 0.00 -0.00 0.00 0.00 58.31 55.73 3hnn n LYS 79 Cb 0.23 -1.43 -0.03 0.00 -0.00 0.00 0.00 35.03 33.80 3hnn n LYS 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3hnn s LEU 80 N -1.22 4.39 -0.22 -5.58 1.43 -1.05 -4.64 118.68 111.78 3hnn s LEU 80 Ca 0.34 2.56 -0.16 0.00 -1.03 0.00 0.00 54.13 55.84 3hnn s LEU 80 Cb 0.19 -3.61 -0.11 0.00 0.03 0.00 0.00 46.19 42.69 3hnn s LEU 80 CO 0.26 -0.68 -0.16 0.47 0.23 0.00 0.00 176.35 176.47 3hnn n ASP 81 N 2.83 1.90 -4.27 2.29 8.00 -0.59 -4.29 116.55 122.43 3hnn n ASP 81 Ca 0.08 0.41 -0.25 0.00 0.71 0.00 0.00 54.79 55.74 3hnn n ASP 81 Cb 0.41 -0.86 -0.14 0.00 -0.02 0.00 0.00 41.12 40.52 3hnn n ASP 81 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3hnn s TYR 82 N -2.50 1.83 -0.21 1.24 2.02 -0.73 -0.17 117.35 118.82 3hnn s TYR 82 Ca -0.30 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.03 3hnn s TYR 82 Cb 0.08 -1.06 0.04 0.00 -0.40 0.00 0.00 41.96 40.62 3hnn s TYR 82 CO 0.46 0.13 -0.14 0.08 -1.57 0.00 0.00 175.55 174.51 3hnn s VAL 83 N -0.91 1.96 -0.18 0.71 1.01 -0.46 -1.46 120.40 121.07 3hnn s VAL 83 Ca 0.07 -1.17 -0.09 0.00 0.00 0.00 0.00 61.98 60.79 3hnn s VAL 83 Cb -0.09 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 3hnn s VAL 83 CO 0.03 0.25 0.11 -0.63 0.00 0.00 0.00 175.10 174.85 3hnn s ILE 84 N 1.27 5.22 -0.17 2.22 1.01 0.12 -0.29 121.20 130.57 3hnn s ILE 84 Ca -0.01 0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.73 3hnn s ILE 84 Cb -0.16 -3.35 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 3hnn s ILE 84 CO -0.09 0.48 -0.07 -0.76 0.00 0.00 0.00 174.94 174.50 3hnn s LEU 85 N 0.10 2.96 0.17 2.97 1.43 -0.42 -0.95 118.68 124.95 3hnn s LEU 85 Ca 0.08 -0.29 0.26 0.00 -1.03 0.00 0.00 54.13 53.15 3hnn s LEU 85 Cb -0.12 -1.72 0.91 0.00 0.03 0.00 0.00 46.19 45.30 3hnn s LEU 85 CO -0.00 0.09 1.79 0.61 0.23 0.00 0.00 176.35 179.07 3hnn n GLY 86 N 4.02 -1.58 3.67 -3.19 0.00 -1.26 -4.55 105.19 102.30 3hnn n GLY 86 Ca -0.18 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 45.84 3hnn n GLY 86 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3hnn s HIS 87 N -3.11 -0.02 -0.10 1.61 0.00 -1.25 -0.47 115.29 111.96 3hnn s HIS 87 Ca 0.10 -0.05 0.02 0.00 -3.00 0.00 0.00 55.06 52.13 3hnn s HIS 87 Cb 0.13 0.53 -0.01 0.00 -4.00 0.00 0.00 32.58 29.23 3hnn s HIS 87 CO 0.54 -0.19 -0.16 0.12 -1.00 0.00 0.00 174.74 174.05 3hnn s PHE 88 N -2.23 2.71 -0.08 0.38 5.36 -1.26 -5.01 117.98 117.85 3hnn s PHE 88 Ca 0.17 -0.60 -0.03 0.00 -0.96 0.00 0.00 56.93 55.51 3hnn s PHE 88 Cb 0.05 -1.75 0.05 0.00 -0.34 0.00 0.00 43.02 41.02 3hnn s PHE 88 CO -0.04 -0.15 0.16 -1.12 -1.46 0.00 0.00 175.22 172.61 3hnn s SER 89 N 0.05 0.47 0.32 6.13 0.01 -1.26 -4.99 113.70 114.43 3hnn s SER 89 Ca -0.06 0.34 0.08 0.00 1.31 0.00 0.00 55.95 57.61 3hnn s SER 89 Cb -0.15 0.27 0.92 0.00 0.21 0.00 0.00 66.02 67.27 3hnn s SER 89 CO 0.05 -0.22 1.59 -0.65 0.41 0.00 0.00 173.24 174.42 3hnn h PRO 90 N 8.01 0.06 0.00 12.44 0.11 -1.99 -1.31 132.00 149.32 3hnn h PRO 90 Ca -0.22 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3hnn h PRO 90 Cb 1.12 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3hnn h PRO 90 CO 0.23 0.04 0.00 0.27 -0.21 0.00 0.00 178.00 178.33 3hnn n ASN 91 N -5.36 0.00 -0.48 -2.05 2.04 -1.26 -2.04 115.26 106.11 3hnn n ASN 91 Ca 0.27 -0.65 0.07 0.00 -0.44 0.00 0.00 54.58 53.82 3hnn n ASN 91 Cb 0.90 0.00 0.04 0.00 -2.53 0.00 0.00 39.78 38.19 3hnn n ASN 91 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 3hnn n ARG 92 N -0.74 1.05 -0.23 -3.83 1.74 -0.49 -3.11 116.66 111.04 3hnn n ARG 92 Ca 0.05 -1.17 -0.07 0.00 -0.77 0.00 0.00 57.85 55.89 3hnn n ARG 92 Cb 0.02 -1.23 0.04 0.00 -1.02 0.00 0.00 32.46 30.27 3hnn n ARG 92 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3hnn h ILE 93 N 2.36 1.22 -0.96 0.55 2.04 -1.55 -1.92 117.51 119.25 3hnn h ILE 93 Ca 0.00 -0.64 0.11 0.00 1.00 0.00 0.00 64.86 65.33 3hnn h ILE 93 Cb 0.53 0.47 -0.08 0.00 -0.74 0.00 0.00 36.82 37.00 3hnn h ILE 93 CO 0.00 0.26 0.61 -0.65 0.00 0.00 0.00 178.15 178.37 3hnn h PRO 94 N 0.88 0.93 -0.18 2.37 0.11 -1.82 0.41 132.00 134.70 3hnn h PRO 94 Ca 0.22 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.20 3hnn h PRO 94 Cb 0.14 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.03 3hnn h PRO 94 CO -0.03 0.62 -0.16 1.15 -0.21 0.00 0.00 178.00 179.37 3hnn h THR 95 N 0.96 1.33 -0.96 -1.15 2.02 -1.78 -0.43 112.91 112.91 3hnn h THR 95 Ca 0.46 -1.31 0.03 0.00 0.77 0.00 0.00 66.41 66.37 3hnn h THR 95 Cb 0.45 1.79 -0.06 0.00 -1.74 0.00 0.00 68.15 68.60 3hnn h THR 95 CO -0.22 0.39 0.62 -0.26 0.37 0.00 0.00 175.52 176.42 3hnn h PHE 96 N 0.08 1.17 0.08 3.16 0.04 -0.83 -0.16 116.94 120.48 3hnn h PHE 96 Ca 0.03 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 3hnn h PHE 96 Cb 0.69 -0.39 0.00 0.00 2.20 0.00 0.00 35.95 38.45 3hnn h PHE 96 CO 0.08 0.68 -0.04 -0.22 -0.60 0.00 0.00 178.31 178.21 3hnn h LYS 97 N 1.22 -0.11 -0.87 1.51 1.63 -0.02 -0.49 116.57 119.44 3hnn h LYS 97 Ca 0.38 0.01 0.17 0.00 -0.85 0.00 0.00 60.65 60.36 3hnn h LYS 97 Cb -0.01 0.02 -0.10 0.00 -0.60 0.00 0.00 32.23 31.54 3hnn h LYS 97 CO -0.12 0.18 0.43 0.00 -3.45 0.00 0.00 179.45 176.49 3hnn h ALA 98 N 0.49 1.34 -0.20 5.00 0.00 -0.92 -2.10 119.26 122.88 3hnn h ALA 98 Ca -0.01 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3hnn h ALA 98 Cb 0.34 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3hnn h ALA 98 CO 0.02 -0.17 -0.39 1.25 0.00 0.00 0.00 179.25 179.95 3hnn h LEU 99 N 0.55 0.47 -0.81 0.00 6.46 -0.65 -3.01 115.31 118.32 3hnn h LEU 99 Ca 0.50 -0.20 -0.13 0.00 -0.12 0.00 0.00 57.88 57.93 3hnn h LEU 99 Cb 0.79 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.58 3hnn h LEU 99 CO -0.42 0.82 -0.55 -0.07 -0.62 0.00 0.00 178.44 177.60 3hnn h LEU 100 N 0.38 0.13 -1.11 2.25 3.38 -0.45 0.05 115.31 119.94 3hnn h LEU 100 Ca 0.04 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3hnn h LEU 100 Cb 0.86 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3hnn h LEU 100 CO 0.07 0.66 -0.27 -0.33 0.09 0.00 0.00 178.44 178.65 3hnn h GLU 101 N 0.09 0.00 0.00 1.13 5.08 -1.32 -2.41 114.58 117.15 3hnn h GLU 101 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 3hnn h GLU 101 Cb 1.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.21 3hnn h GLU 101 CO 0.08 0.27 -2.04 1.28 -1.00 0.00 0.00 179.01 177.60 3hnn n LEU 102 N -3.48 0.21 -3.20 1.33 4.77 -1.09 -4.71 117.00 110.83 3hnn n LEU 102 Ca -0.00 0.09 -0.24 0.00 -0.03 0.00 0.00 56.01 55.83 3hnn n LEU 102 Cb 0.44 0.25 -0.07 0.00 -2.33 0.00 0.00 43.42 41.71 3hnn n LEU 102 CO 0.34 0.26 -0.29 0.00 -1.33 0.00 0.00 177.39 176.38 3hnn n ALA 103 N -2.52 2.38 0.31 -1.18 0.00 -0.01 -4.43 120.51 115.06 3hnn n ALA 103 Ca -0.19 -3.33 0.20 0.00 0.00 0.00 0.00 53.44 50.13 3hnn n ALA 103 Cb 0.91 -0.82 0.99 0.00 0.00 0.00 0.00 19.45 20.53 3hnn n ALA 103 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3hnn h PRO 104 N 4.15 0.00 0.00 0.00 0.11 -1.66 -2.53 132.00 132.07 3hnn h PRO 104 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3hnn h PRO 104 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3hnn h PRO 104 CO 0.45 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.25 3hnn n GLN 105 N -3.13 0.03 -1.94 1.05 0.00 -1.26 -4.91 117.38 107.21 3hnn n GLN 105 Ca -0.02 0.12 -0.38 0.00 0.00 0.00 0.00 57.00 56.72 3hnn n GLN 105 Cb 0.17 -1.50 0.03 0.00 0.00 0.00 0.00 30.24 28.93 3hnn n GLN 105 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 3hnn s ILE 106 N -2.96 2.43 -0.23 -0.39 -4.36 -0.95 -4.91 121.20 109.82 3hnn s ILE 106 Ca 0.12 0.32 -0.05 0.00 -0.26 0.00 0.00 60.65 60.78 3hnn s ILE 106 Cb 0.15 -3.16 -0.01 0.00 1.25 0.00 0.00 42.46 40.69 3hnn s ILE 106 CO 0.40 -0.01 -0.01 -0.89 0.24 0.00 0.00 174.94 174.67 3hnn s THR 107 N -1.40 3.61 0.25 8.37 2.01 0.76 -4.47 115.64 124.77 3hnn s THR 107 Ca 0.70 -0.42 -0.30 0.00 0.31 0.00 0.00 61.69 61.98 3hnn s THR 107 Cb -0.36 -2.66 -0.09 0.00 0.01 0.00 0.00 72.50 69.40 3hnn s THR 107 CO 0.43 0.39 1.15 -0.36 -0.69 0.00 0.00 174.62 175.54 3hnn s PHE 108 N 1.51 3.48 -0.15 4.92 0.08 -0.07 -1.35 117.98 126.41 3hnn s PHE 108 Ca 0.06 1.58 0.00 0.00 0.12 0.00 0.00 56.93 58.69 3hnn s PHE 108 Cb -0.15 -3.37 0.03 0.00 -0.57 0.00 0.00 43.02 38.97 3hnn s PHE 108 CO -0.01 -0.88 -0.11 0.08 -0.10 0.00 0.00 175.22 174.20 3hnn s VAL 109 N -0.78 1.38 0.33 -0.44 1.01 0.60 -0.74 120.40 121.76 3hnn s VAL 109 Ca 0.48 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.80 3hnn s VAL 109 Cb -0.33 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.70 3hnn s VAL 109 CO 0.41 0.36 0.54 0.00 0.00 0.00 0.00 175.10 176.41 3hnn s SER 111 N -3.16 6.76 0.22 0.00 0.15 -1.26 -4.36 113.70 112.05 3hnn s SER 111 Ca 0.26 1.97 -0.12 0.00 0.70 0.00 0.00 55.95 58.76 3hnn s SER 111 Cb -0.01 -2.58 0.28 0.00 -1.71 0.00 0.00 66.02 62.00 3hnn s SER 111 CO 0.16 -0.49 1.64 0.25 1.20 0.00 0.00 173.24 176.00 3hnn h LEU 112 N 2.35 -0.44 -1.96 3.45 5.85 -1.92 -0.28 115.31 122.36 3hnn h LEU 112 Ca -0.48 0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.47 3hnn h LEU 112 Cb 1.21 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 3hnn h LEU 112 CO 0.62 -0.17 0.39 -0.65 -0.34 0.00 0.00 178.44 178.29 3hnn h PRO 113 N 0.05 0.00 0.24 5.25 0.11 -1.94 -0.94 132.00 134.77 3hnn h PRO 113 Ca 0.32 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 66.11 3hnn h PRO 113 Cb 0.52 0.00 0.04 0.00 0.11 0.00 0.00 31.00 31.66 3hnn h PRO 113 CO -0.61 0.00 -1.41 0.00 -0.21 0.00 0.00 178.00 175.77 3hnn h ALA 114 N 1.39 -0.14 -0.99 -0.75 0.00 -1.39 -3.36 119.26 114.02 3hnn h ALA 114 Ca 0.09 -0.86 0.14 0.00 0.00 0.00 0.00 54.91 54.28 3hnn h ALA 114 Cb 0.87 0.19 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 3hnn h ALA 114 CO -0.00 0.67 -0.42 0.00 0.00 0.00 0.00 179.25 179.49 3hnn h ALA 115 N 0.14 0.03 -0.52 0.00 0.00 -1.07 -0.21 119.26 117.64 3hnn h ALA 115 Ca -0.25 0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3hnn h ALA 115 Cb 2.10 1.07 -0.02 0.00 0.00 0.00 0.00 17.79 20.94 3hnn h ALA 115 CO 0.26 -0.68 -0.03 0.78 0.00 0.00 0.00 179.25 179.57 3hnn h GLY 116 N -0.01 0.97 2.00 0.00 0.00 -1.73 -2.95 103.07 101.35 3hnn h GLY 116 Ca 0.31 -0.70 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 3hnn h GLY 116 CO -0.97 0.64 -0.27 -0.55 0.00 0.00 0.00 176.54 175.39 3hnn h ASP 117 N 0.82 0.00 -0.06 0.19 3.32 -1.47 -2.79 116.42 116.42 3hnn h ASP 117 Ca 0.15 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3hnn h ASP 117 Cb 0.54 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 3hnn h ASP 117 CO 0.03 0.27 0.02 -0.07 -1.72 0.00 0.00 179.24 177.77 3hnn h LEU 118 N 0.00 0.09 -1.07 1.55 3.38 -0.95 -2.66 115.31 115.65 3hnn h LEU 118 Ca -0.00 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.78 3hnn h LEU 118 Cb 1.11 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 3hnn h LEU 118 CO 0.04 0.27 0.63 0.03 0.09 0.00 0.00 178.44 179.50 3hnn h ARG 119 N -0.09 1.24 -0.00 1.13 3.08 -1.48 -0.77 114.38 117.48 3hnn h ARG 119 Ca 0.02 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 3hnn h ARG 119 Cb 0.21 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3hnn h ARG 119 CO -0.00 0.82 -0.22 0.00 -1.07 0.00 0.00 179.97 179.50 3hnn h ALA 120 N 1.41 1.64 0.00 0.04 0.00 -1.49 -2.77 119.26 118.09 3hnn h ALA 120 Ca 0.36 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3hnn h ALA 120 Cb -0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3hnn h ALA 120 CO -0.08 0.27 -0.43 0.00 0.00 0.00 0.00 179.25 179.01 3hnn h ALA 121 N 1.78 0.72 -2.85 0.00 0.00 -0.81 -3.37 119.26 114.74 3hnn h ALA 121 Ca -0.00 -0.39 -0.61 0.00 0.00 0.00 0.00 54.91 53.90 3hnn h ALA 121 Cb 0.39 -0.07 -0.42 0.00 0.00 0.00 0.00 17.79 17.69 3hnn h ALA 121 CO 0.03 0.54 -0.61 1.19 0.00 0.00 0.00 179.25 180.39 3hnn n PHE 122 N -3.21 2.96 -0.06 0.00 3.72 -0.64 -5.00 117.46 115.21 3hnn n PHE 122 Ca 0.02 -4.20 -0.11 0.00 -0.05 0.00 0.00 57.45 53.11 3hnn n PHE 122 Cb 0.70 -0.54 -0.04 0.00 -0.94 0.00 0.00 39.48 38.65 3hnn n PHE 122 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3hnn h PRO 123 N 5.16 0.33 0.44 -1.08 0.13 -1.73 -3.33 132.00 131.92 3hnn h PRO 123 Ca 0.17 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 65.20 3hnn h PRO 123 Cb 0.75 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3hnn h PRO 123 CO 0.71 0.44 -0.21 -0.44 -0.23 0.00 0.00 178.00 178.27 3hnn h ASP 124 N 0.16 -0.50 -3.68 1.44 3.32 -1.95 -3.45 116.42 111.76 3hnn h ASP 124 Ca 0.07 0.02 -0.56 0.00 0.02 0.00 0.00 57.03 56.57 3hnn h ASP 124 Cb 0.26 0.13 0.15 0.00 0.22 0.00 0.00 39.33 40.08 3hnn h ASP 124 CO -0.00 -0.22 0.35 0.47 -1.72 0.00 0.00 179.24 178.12 3hnn n ASP 125 N -4.33 1.73 -4.60 6.45 9.92 -1.25 -5.00 116.55 119.46 3hnn n ASP 125 Ca -0.07 0.93 -0.38 0.00 -0.53 0.00 0.00 54.79 54.73 3hnn n ASP 125 Cb 0.23 -1.47 -0.10 0.00 -0.64 0.00 0.00 41.12 39.15 3hnn n ASP 125 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 3hnn s ASN 126 N -1.00 6.14 0.08 -2.24 3.04 -1.26 -4.95 114.94 114.75 3hnn s ASN 126 Ca 0.72 0.15 -0.20 0.00 0.04 0.00 0.00 52.86 53.56 3hnn s ASN 126 Cb -0.44 -2.16 -0.07 0.00 -1.54 0.00 0.00 41.25 37.04 3hnn s ASN 126 CO 0.50 -0.10 0.61 -0.76 -3.04 0.00 0.00 177.10 174.30 3hnn s LEU 127 N 1.82 4.53 -0.19 3.21 1.43 -1.26 -5.03 118.68 123.19 3hnn s LEU 127 Ca 0.11 1.32 -0.29 0.00 -1.03 0.00 0.00 54.13 54.23 3hnn s LEU 127 Cb -0.16 -2.96 -0.01 0.00 0.03 0.00 0.00 46.19 43.09 3hnn s LEU 127 CO 0.10 0.25 1.29 0.20 0.23 0.00 0.00 176.35 178.42 3hnn s ASN 128 N -1.04 6.87 -0.18 2.29 0.01 -1.26 -5.00 114.94 116.64 3hnn s ASN 128 Ca 0.30 1.61 -0.06 0.00 -0.71 0.00 0.00 52.86 54.00 3hnn s ASN 128 Cb -0.20 -2.54 0.08 0.00 0.41 0.00 0.00 41.25 39.00 3hnn s ASN 128 CO 0.20 -0.84 0.37 -0.51 -1.51 0.00 0.00 177.10 174.81 3hnn s ILE 129 N 3.72 -0.57 -0.41 0.60 2.07 -1.26 -0.89 121.20 124.46 3hnn s ILE 129 Ca 0.56 0.21 -0.11 0.00 -1.41 0.00 0.00 60.65 59.89 3hnn s ILE 129 Cb -0.21 -0.59 0.06 0.00 0.13 0.00 0.00 42.46 41.84 3hnn s ILE 129 CO 0.17 0.09 0.26 -0.22 -1.91 0.00 0.00 174.94 173.32 3hnn s LEU 130 N 2.55 5.05 0.00 8.50 0.20 0.08 -4.96 118.68 130.09 3hnn s LEU 130 Ca -0.01 -1.26 0.00 0.00 0.69 0.00 0.00 54.13 53.55 3hnn s LEU 130 Cb -0.12 -2.03 0.00 0.00 -0.43 0.00 0.00 46.19 43.61 3hnn s LEU 130 CO -0.11 -0.49 0.00 -2.65 -0.29 0.00 0.00 176.35 172.80 3hnn n PRO 131 N 5.00 0.46 0.00 0.98 -0.02 -1.26 -3.04 135.00 137.11 3hnn n PRO 131 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 3hnn n PRO 131 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.92 3hnn n PRO 131 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hnn n ARG 133 N -0.41 0.00 0.00 -0.52 1.74 -1.26 -4.94 116.66 111.27 3hnn n ARG 133 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3hnn n ARG 133 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3hnn n ARG 133 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hnn n GLY 134 N 0.00 3.48 0.11 -0.13 0.00 -1.26 -4.79 105.19 102.61 3hnn n GLY 134 Ca 0.00 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 3hnn n GLY 134 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hnn h LYS 135 N 0.00 0.11 -7.20 1.61 3.64 -2.01 -3.44 116.57 109.27 3hnn h LYS 135 Ca 0.00 -0.19 -0.51 0.00 -1.27 0.00 0.00 60.65 58.68 3hnn h LYS 135 Cb 0.00 0.07 0.11 0.00 -0.41 0.00 0.00 32.23 32.01 3hnn h LYS 135 CO 0.00 1.09 0.37 -1.21 -2.27 0.00 0.00 179.45 177.43 3hnn s GLU 136 N -2.41 2.62 0.52 1.90 0.41 -1.26 -5.00 118.70 115.48 3hnn s GLU 136 Ca -0.24 1.44 0.04 0.00 -0.41 0.00 0.00 54.97 55.80 3hnn s GLU 136 Cb 0.05 -1.92 0.01 0.00 -1.78 0.00 0.00 34.13 30.49 3hnn s GLU 136 CO 0.68 -1.40 0.24 0.95 -0.49 0.00 0.00 175.26 175.24 3hnn s THR 137 N -2.32 1.51 -0.20 3.63 -4.23 -1.26 -4.29 115.64 108.47 3hnn s THR 137 Ca 0.68 -1.69 -0.02 0.00 -1.18 0.00 0.00 61.69 59.48 3hnn s THR 137 Cb -0.22 -2.20 0.06 0.00 1.34 0.00 0.00 72.50 71.48 3hnn s THR 137 CO 0.43 0.00 0.01 -0.22 -0.54 0.00 0.00 174.62 174.30 3hnn s LEU 138 N -4.11 1.57 -0.24 4.79 0.20 0.40 -4.96 118.68 116.34 3hnn s LEU 138 Ca 0.24 -0.89 -0.26 0.00 0.69 0.00 0.00 54.13 53.91 3hnn s LEU 138 Cb -0.00 -0.77 -0.00 0.00 -0.43 0.00 0.00 46.19 44.99 3hnn s LEU 138 CO 0.14 -0.28 0.88 -0.62 -0.29 0.00 0.00 176.35 176.19 3hnn s ASP 139 N 1.72 6.90 0.06 3.68 -1.08 -1.26 -0.10 116.67 126.58 3hnn s ASP 139 Ca -0.02 1.12 0.22 0.00 -0.52 0.00 0.00 52.55 53.35 3hnn s ASP 139 Cb -0.17 -2.46 -0.08 0.00 -1.46 0.00 0.00 42.92 38.74 3hnn s ASP 139 CO -0.07 -0.55 0.88 0.18 0.52 0.00 0.00 175.17 176.12 3hnn n LEU 140 N 6.07 0.52 0.00 -1.34 4.77 -0.06 -4.90 117.00 122.06 3hnn n LEU 140 Ca 0.07 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3hnn n LEU 140 Cb 0.47 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3hnn n LEU 140 CO 0.48 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3hnn n GLY 141 N 1.31 1.36 2.29 -0.72 0.00 -1.25 0.42 105.19 108.60 3hnn n GLY 141 Ca 0.00 -2.00 -0.16 0.00 0.00 0.00 0.00 46.02 43.86 3hnn n GLY 141 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hnn n LYS 142 N 1.95 -1.55 -0.02 1.61 5.02 -1.26 -1.34 118.16 122.57 3hnn n LYS 142 Ca 0.00 0.90 0.00 0.00 -2.02 0.00 0.00 58.31 57.19 3hnn n LYS 142 Cb 0.00 -5.30 0.00 0.00 -0.02 0.00 0.00 35.03 29.71 3hnn n LYS 142 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hnn n GLY 143 N -0.48 0.34 3.08 0.72 0.00 -1.26 -5.00 105.19 102.60 3hnn n GLY 143 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 3hnn n GLY 143 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hnn n HIS 144 N -2.00 3.86 -3.06 1.61 8.25 -0.45 -3.63 115.22 119.81 3hnn n HIS 144 Ca 0.00 -2.96 -0.41 0.00 -0.26 0.00 0.00 57.72 54.09 3hnn n HIS 144 Cb 0.00 -2.33 -0.06 0.00 1.12 0.00 0.00 29.99 28.72 3hnn n HIS 144 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hnn s VAL 145 N 2.29 4.95 -0.23 1.59 1.01 -1.26 -0.88 120.40 127.87 3hnn s VAL 145 Ca 0.46 1.24 -0.14 0.00 0.00 0.00 0.00 61.98 63.54 3hnn s VAL 145 Cb 0.08 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 3hnn s VAL 145 CO -0.01 0.01 0.30 -0.76 0.00 0.00 0.00 175.10 174.64 3hnn s LEU 146 N 2.55 4.12 -0.08 3.92 1.02 0.85 -1.46 118.68 129.60 3hnn s LEU 146 Ca 0.28 0.32 -0.08 0.00 0.02 0.00 0.00 54.13 54.68 3hnn s LEU 146 Cb -0.15 -2.34 -0.04 0.00 0.02 0.00 0.00 46.19 43.68 3hnn s LEU 146 CO 0.08 -0.03 0.20 -0.54 0.02 0.00 0.00 176.35 176.08 3hnn s LYS 147 N 1.31 3.52 0.11 1.70 1.02 0.61 -0.45 119.74 127.55 3hnn s LYS 147 Ca 0.14 -0.06 0.08 0.00 0.02 0.00 0.00 55.97 56.14 3hnn s LYS 147 Cb -0.14 -3.17 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 3hnn s LYS 147 CO 0.07 0.74 -0.13 -0.06 -0.92 0.00 0.00 175.35 175.05 3hnn s PHE 148 N -1.09 2.66 -0.35 3.18 0.40 -1.26 -0.75 117.98 120.77 3hnn s PHE 148 Ca 0.19 -0.20 0.01 0.00 -0.60 0.00 0.00 56.93 56.33 3hnn s PHE 148 Cb -0.13 -1.40 0.14 0.00 0.51 0.00 0.00 43.02 42.15 3hnn s PHE 148 CO 0.08 0.41 0.28 -0.51 0.70 0.00 0.00 175.22 176.19 3hnn s LEU 149 N -2.19 0.43 0.40 -0.37 1.02 -0.32 -4.74 118.68 112.92 3hnn s LEU 149 Ca 0.20 -1.81 -0.26 0.00 0.02 0.00 0.00 54.13 52.28 3hnn s LEU 149 Cb -0.11 0.08 -0.10 0.00 0.02 0.00 0.00 46.19 46.08 3hnn s LEU 149 CO 0.12 -0.30 1.33 -2.65 0.02 0.00 0.00 176.35 174.88 3hnn n PRO 150 N 4.25 2.12 -3.27 1.29 -0.02 -1.26 -2.08 135.00 136.03 3hnn n PRO 150 Ca 0.10 0.75 -0.25 0.00 -2.02 0.00 0.00 63.50 62.08 3hnn n PRO 150 Cb 0.41 -2.45 -0.07 0.00 -0.02 0.00 0.00 33.50 31.37 3hnn n PRO 150 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3hnn n ILE 151 N -0.01 0.87 -1.86 4.25 -5.35 -0.04 -4.89 119.36 112.32 3hnn n ILE 151 Ca 0.05 -4.66 -0.40 0.00 -0.27 0.00 0.00 62.75 57.47 3hnn n ILE 151 Cb 0.39 -1.86 0.01 0.00 -1.74 0.00 0.00 39.64 36.44 3hnn n ILE 151 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 3hnn s PRO 152 N -1.97 3.88 0.13 6.28 0.04 -1.26 -4.25 135.00 137.86 3hnn s PRO 152 Ca 0.38 2.40 -0.11 0.00 0.04 0.00 0.00 61.00 63.72 3hnn s PRO 152 Cb 0.18 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.95 3hnn s PRO 152 CO -0.07 -0.65 0.29 -1.54 0.04 0.00 0.00 177.00 175.07 3hnn s SER 153 N -0.45 0.00 0.38 6.66 1.04 -0.71 -4.97 113.70 115.64 3hnn s SER 153 Ca 0.57 -0.66 0.10 0.00 0.48 0.00 0.00 55.95 56.44 3hnn s SER 153 Cb -0.43 0.42 0.86 0.00 0.10 0.00 0.00 66.02 66.96 3hnn s SER 153 CO 0.57 -0.84 1.91 -0.65 0.98 0.00 0.00 173.24 175.21 3hnn h PRO 154 N 2.56 0.62 0.22 4.02 0.11 -1.96 -1.77 132.00 135.80 3hnn h PRO 154 Ca -0.33 -0.04 -0.32 0.00 0.11 0.00 0.00 66.00 65.42 3hnn h PRO 154 Cb 1.22 -0.14 0.03 0.00 0.11 0.00 0.00 31.00 32.22 3hnn h PRO 154 CO 0.50 0.41 -1.45 -0.09 -0.21 0.00 0.00 178.00 177.16 3hnn h ARG 155 N 0.64 0.47 -3.04 1.05 9.65 -1.99 -3.39 114.38 117.77 3hnn h ARG 155 Ca 0.39 -0.80 -0.62 0.00 -1.10 0.00 0.00 59.98 57.85 3hnn h ARG 155 Cb 0.62 0.30 -0.40 0.00 -1.39 0.00 0.00 29.97 29.09 3hnn h ARG 155 CO -0.15 1.38 -0.71 -1.58 2.80 0.00 0.00 179.97 181.71 3hnn s TRP 156 N -2.61 2.37 0.46 2.20 0.51 -1.12 -4.95 118.94 115.80 3hnn s TRP 156 Ca -0.08 -2.69 0.12 0.00 -2.12 0.00 0.00 56.10 51.33 3hnn s TRP 156 Cb 0.05 -2.12 1.04 0.00 -0.81 0.00 0.00 33.47 31.63 3hnn s TRP 156 CO 0.93 -0.75 2.07 -1.35 -0.51 0.00 0.00 176.95 177.34 3hnn h PRO 157 N 6.42 0.19 -0.76 4.98 0.11 -1.53 -1.62 132.00 139.79 3hnn h PRO 157 Ca 0.02 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 3hnn h PRO 157 Cb 0.90 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 3hnn h PRO 157 CO 0.55 0.18 0.01 0.00 -0.21 0.00 0.00 178.00 178.53 3hnn n ALA 158 N -2.51 3.35 -1.74 -0.75 0.00 -1.26 -4.38 120.51 113.23 3hnn n ALA 158 Ca -0.01 -1.15 -0.42 0.00 0.00 0.00 0.00 53.44 51.86 3hnn n ALA 158 Cb 0.13 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 3hnn n ALA 158 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hnn n GLY 159 N 0.36 1.33 3.21 0.00 0.00 -0.69 -3.76 105.19 105.65 3hnn n GLY 159 Ca 0.17 0.48 -0.11 0.00 0.00 0.00 0.00 46.02 46.56 3hnn n GLY 159 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hnn s LEU 160 N -0.24 0.08 -0.08 0.99 2.96 0.38 -0.87 118.68 121.90 3hnn s LEU 160 Ca 0.66 0.79 -0.03 0.00 -0.22 0.00 0.00 54.13 55.32 3hnn s LEU 160 Cb -0.51 1.18 -0.04 0.00 0.50 0.00 0.00 46.19 47.33 3hnn s LEU 160 CO 0.47 -0.18 0.06 0.00 -1.32 0.00 0.00 176.35 175.37 3hnn s THR 162 N -0.99 2.15 -0.12 0.00 2.01 -0.83 -1.17 115.64 116.69 3hnn s THR 162 Ca 0.16 -1.05 0.02 0.00 0.31 0.00 0.00 61.69 61.13 3hnn s THR 162 Cb -0.12 -1.77 0.01 0.00 0.01 0.00 0.00 72.50 70.63 3hnn s THR 162 CO 0.05 0.57 -0.17 -0.47 -0.69 0.00 0.00 174.62 173.92 3hnn s TYR 163 N -0.34 2.19 -0.36 4.92 5.04 0.07 0.35 117.35 129.22 3hnn s TYR 163 Ca 0.02 -1.08 -0.18 0.00 -2.44 0.00 0.00 57.07 53.39 3hnn s TYR 163 Cb -0.12 -1.55 -0.00 0.00 0.35 0.00 0.00 41.96 40.63 3hnn s TYR 163 CO 0.02 -0.54 0.51 0.34 -1.34 0.00 0.00 175.55 174.55 3hnn s ASP 164 N 1.00 6.31 0.28 4.32 2.15 -0.44 -0.29 116.67 130.01 3hnn s ASP 164 Ca -0.05 -0.08 -0.03 0.00 0.43 0.00 0.00 52.55 52.82 3hnn s ASP 164 Cb -0.15 -2.27 0.40 0.00 -0.30 0.00 0.00 42.92 40.61 3hnn s ASP 164 CO -0.03 -0.50 1.94 0.58 -0.17 0.00 0.00 175.17 176.99 3hnn h VAL 165 N 5.63 1.19 -0.40 1.11 2.07 -1.53 -0.24 116.25 124.08 3hnn h VAL 165 Ca -0.28 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 3hnn h VAL 165 Cb 1.12 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3hnn h VAL 165 CO 0.78 0.22 0.06 -0.61 0.02 0.00 0.00 177.57 178.03 3hnn h GLN 166 N 1.18 0.66 0.00 1.57 5.75 -1.80 -3.25 115.11 119.22 3hnn h GLN 166 Ca 0.35 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 3hnn h GLN 166 Cb -0.05 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.42 3hnn h GLN 166 CO -0.09 0.72 -1.08 0.25 -2.65 0.00 0.00 178.83 175.98 3hnn n THR 167 N -4.52 0.00 -2.83 2.39 -2.24 -1.15 -4.97 114.28 100.97 3hnn n THR 167 Ca -0.01 -0.04 -0.22 0.00 -2.27 0.00 0.00 64.05 61.51 3hnn n THR 167 Cb 0.24 0.92 0.02 0.00 -2.10 0.00 0.00 70.33 69.41 3hnn n THR 167 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hnn n GLN 168 N -1.56 -3.87 -3.57 -0.78 6.02 -0.11 -4.74 117.38 108.77 3hnn n GLN 168 Ca 0.03 0.94 -0.36 0.00 -0.01 0.00 0.00 57.00 57.60 3hnn n GLN 168 Cb 0.35 -5.74 -0.07 0.00 1.02 0.00 0.00 30.24 25.80 3hnn n GLN 168 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3hnn s ILE 169 N -3.13 5.32 -0.25 5.09 1.01 -1.23 -1.07 121.20 126.95 3hnn s ILE 169 Ca 0.21 0.46 -0.08 0.00 0.00 0.00 0.00 60.65 61.24 3hnn s ILE 169 Cb -0.09 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 3hnn s ILE 169 CO 0.26 0.39 0.08 -0.22 0.00 0.00 0.00 174.94 175.45 3hnn s LEU 170 N 0.55 3.53 -0.42 2.97 2.96 -0.92 -1.33 118.68 126.03 3hnn s LEU 170 Ca 0.14 -0.16 -0.21 0.00 -0.22 0.00 0.00 54.13 53.68 3hnn s LEU 170 Cb -0.13 -1.95 0.02 0.00 0.50 0.00 0.00 46.19 44.63 3hnn s LEU 170 CO 0.03 -0.02 0.68 -0.31 -1.32 0.00 0.00 176.35 175.41 3hnn s TYR 171 N 1.53 3.07 -0.96 5.38 2.02 0.15 -0.69 117.35 127.86 3hnn s TYR 171 Ca 0.06 0.11 0.11 0.00 -0.37 0.00 0.00 57.07 56.99 3hnn s TYR 171 Cb -0.15 -3.38 -0.02 0.00 -0.40 0.00 0.00 41.96 38.01 3hnn s TYR 171 CO 0.04 -0.84 0.65 0.25 -1.57 0.00 0.00 175.55 174.09 3hnn n THR 172 N 5.86 0.00 0.00 -0.71 -2.24 -1.09 -1.96 114.28 114.14 3hnn n THR 172 Ca -0.00 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3hnn n THR 172 Cb 0.48 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 3hnn n THR 172 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hnn n ASP 173 N -0.38 0.00 0.24 3.42 -0.08 -1.26 -1.98 116.55 116.51 3hnn n ASP 173 Ca 0.04 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.46 3hnn n ASP 173 Cb 0.23 0.00 0.41 0.00 2.34 0.00 0.00 41.12 44.10 3hnn n ASP 173 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3hnn h LYS 174 N 0.00 0.00 -6.64 -0.67 1.79 -1.94 0.27 116.57 109.39 3hnn h LYS 174 Ca 0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 3hnn h LYS 174 Cb 0.00 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 3hnn h LYS 174 CO 0.00 0.06 0.36 0.42 -1.08 0.00 0.00 179.45 179.21 3hnn s ILE 175 N -3.44 4.33 0.00 1.86 -1.09 -0.84 -4.07 121.20 117.95 3hnn s ILE 175 Ca 0.04 2.08 0.00 0.00 -2.23 0.00 0.00 60.65 60.53 3hnn s ILE 175 Cb 0.07 -4.32 0.00 0.00 -1.58 0.00 0.00 42.46 36.63 3hnn s ILE 175 CO 0.62 0.39 0.00 0.49 -1.23 0.00 0.00 174.94 175.21 3hnn n PHE 176 N 2.28 0.00 -2.13 3.97 3.72 -1.26 -4.69 117.46 119.34 3hnn n PHE 176 Ca 0.01 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.20 3hnn n PHE 176 Cb 0.48 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 39.15 3hnn n PHE 176 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hnn n GLY 177 N -2.68 -0.39 3.53 1.37 0.00 -1.26 -4.97 105.19 100.79 3hnn n GLY 177 Ca 0.00 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.06 3hnn n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hnn s ALA 178 N -3.54 -1.60 -1.24 4.61 0.00 -0.66 -4.65 121.76 114.68 3hnn s ALA 178 Ca 0.56 2.02 -0.16 0.00 0.00 0.00 0.00 51.96 54.39 3hnn s ALA 178 Cb -0.02 -1.19 0.13 0.00 0.00 0.00 0.00 23.12 22.03 3hnn s ALA 178 CO 0.38 -0.33 1.56 -1.01 0.00 0.00 0.00 175.76 176.36 3hnn s HIS 179 N 1.16 3.20 -0.05 0.00 3.76 -1.26 -2.40 115.29 119.70 3hnn s HIS 179 Ca -0.07 -1.91 -0.02 0.00 -0.15 0.00 0.00 55.06 52.91 3hnn s HIS 179 Cb -0.05 -4.50 0.03 0.00 1.11 0.00 0.00 32.58 29.17 3hnn s HIS 179 CO -0.12 -1.57 0.12 -1.50 -0.85 0.00 0.00 174.74 170.82 3hnn s ILE 180 N 2.70 -0.04 -0.14 0.60 2.07 -1.19 -4.53 121.20 120.66 3hnn s ILE 180 Ca 0.47 0.15 -0.07 0.00 -1.41 0.00 0.00 60.65 59.79 3hnn s ILE 180 Cb -0.00 -0.20 -0.04 0.00 0.13 0.00 0.00 42.46 42.35 3hnn s ILE 180 CO 0.03 0.06 0.11 0.00 -1.91 0.00 0.00 174.94 173.23 3hnn n GLY 182 N 2.58 1.52 0.10 0.00 0.00 -1.26 -4.87 105.19 103.25 3hnn n GLY 182 Ca -0.18 -1.20 0.10 0.00 0.00 0.00 0.00 46.02 44.73 3hnn n GLY 182 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hnn n ASP 183 N -1.38 0.74 -4.66 1.61 8.00 -1.26 -4.82 116.55 114.77 3hnn n ASP 183 Ca -0.05 0.29 -0.43 0.00 0.71 0.00 0.00 54.79 55.32 3hnn n ASP 183 Cb 0.36 0.61 -0.02 0.00 -0.02 0.00 0.00 41.12 42.05 3hnn n ASP 183 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3hnn s ASP 184 N -5.30 6.85 0.25 -2.24 1.01 -1.26 -4.90 116.67 111.08 3hnn s ASP 184 Ca -0.02 1.92 0.10 0.00 0.71 0.00 0.00 52.55 55.26 3hnn s ASP 184 Cb 0.10 -2.54 0.27 0.00 1.01 0.00 0.00 42.92 41.76 3hnn s ASP 184 CO 0.81 -0.80 1.56 0.58 0.21 0.00 0.00 175.17 177.52 3hnn h VAL 185 N 5.43 1.47 -1.87 -1.27 2.07 -1.98 -3.43 116.25 116.67 3hnn h VAL 185 Ca -0.32 -2.33 -0.54 0.00 0.82 0.00 0.00 66.70 64.33 3hnn h VAL 185 Cb 1.14 2.26 -0.07 0.00 -1.52 0.00 0.00 31.29 33.10 3hnn h VAL 185 CO 0.95 0.66 -0.53 -0.36 0.02 0.00 0.00 177.57 178.32 3hnn s PHE 186 N -3.45 2.73 -0.21 1.57 0.08 -1.26 -0.54 117.98 116.90 3hnn s PHE 186 Ca -0.01 -0.38 -0.06 0.00 0.12 0.00 0.00 56.93 56.61 3hnn s PHE 186 Cb 0.12 -1.67 -0.21 0.00 -0.57 0.00 0.00 43.02 40.70 3hnn s PHE 186 CO 0.77 0.31 3.10 -0.40 -0.10 0.00 0.00 175.22 178.91 3hnn n ASP 187 N -1.18 4.95 -0.04 1.36 5.75 0.40 -4.55 116.55 123.25 3hnn n ASP 187 Ca -0.03 -2.36 -0.13 0.00 -0.01 0.00 0.00 54.79 52.26 3hnn n ASP 187 Cb 0.61 -1.24 -0.08 0.00 -1.03 0.00 0.00 41.12 39.38 3hnn n ASP 187 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3hnn h ASP 188 N 3.74 0.23 -2.13 -1.12 3.32 -1.94 -3.26 116.42 115.26 3hnn h ASP 188 Ca 0.25 -0.47 -0.77 0.00 0.02 0.00 0.00 57.03 56.06 3hnn h ASP 188 Cb 1.14 -0.07 -0.20 0.00 0.22 0.00 0.00 39.33 40.42 3hnn h ASP 188 CO 0.49 0.66 1.43 -3.20 -1.72 0.00 0.00 179.24 176.89 3hnn n ASN 189 N -4.68 5.52 -0.05 6.45 5.15 -1.26 -4.82 115.26 121.57 3hnn n ASN 189 Ca -0.07 -3.16 -0.13 0.00 -0.60 0.00 0.00 54.58 50.62 3hnn n ASN 189 Cb 0.31 -1.43 -0.08 0.00 -0.53 0.00 0.00 39.78 38.06 3hnn n ASN 189 CO 0.00 0.00 0.00 -0.25 1.40 0.00 0.00 177.26 178.41 3hnn h TRP 190 N 5.98 0.35 -1.03 1.20 7.01 -1.95 -2.97 115.95 124.55 3hnn h TRP 190 Ca 0.31 -0.10 0.27 0.00 2.11 0.00 0.00 58.89 61.48 3hnn h TRP 190 Cb 0.69 -0.07 -0.12 0.00 -2.10 0.00 0.00 29.16 27.55 3hnn h TRP 190 CO 1.12 0.70 0.62 1.49 -2.79 0.00 0.00 178.44 179.58 3hnn h GLU 191 N -0.10 0.46 0.00 2.65 4.57 -1.91 0.46 114.58 120.70 3hnn h GLU 191 Ca 0.02 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3hnn h GLU 191 Cb 0.64 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 3hnn h GLU 191 CO 0.03 0.30 0.00 0.45 -1.18 0.00 0.00 179.01 178.61 3hnn n SER 192 N -4.84 0.00 -0.11 1.04 2.88 -1.12 -3.70 113.62 107.77 3hnn n SER 192 Ca 0.28 -0.92 0.00 0.00 -1.33 0.00 0.00 58.87 56.91 3hnn n SER 192 Cb 0.85 -0.02 0.01 0.00 -0.75 0.00 0.00 64.21 64.30 3hnn n SER 192 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 3hnn n PHE 193 N -1.02 0.00 -0.31 0.66 -1.74 0.05 -4.83 117.46 110.27 3hnn n PHE 193 Ca 0.23 -0.10 0.17 0.00 -0.56 0.00 0.00 57.45 57.19 3hnn n PHE 193 Cb 0.12 -0.02 0.35 0.00 1.52 0.00 0.00 39.48 41.45 3hnn n PHE 193 CO 0.00 0.00 0.00 0.87 -0.56 0.00 0.00 176.76 177.07 3hnn h LYS 194 N 0.00 0.22 -0.60 3.97 1.79 -1.36 -0.05 116.57 120.55 3hnn h LYS 194 Ca 0.00 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 3hnn h LYS 194 Cb 1.03 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.60 3hnn h LYS 194 CO 0.00 0.14 0.39 1.49 -1.08 0.00 0.00 179.45 180.40 3hnn h GLU 195 N 0.22 0.77 -0.04 3.15 4.81 -1.88 -2.06 114.58 119.56 3hnn h GLU 195 Ca 0.62 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.65 3hnn h GLU 195 Cb 1.31 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 3hnn h GLU 195 CO -0.66 0.51 -0.66 -0.44 -0.73 0.00 0.00 179.01 177.03 3hnn h ASP 196 N 0.79 0.21 -0.30 1.04 5.19 -1.40 -1.43 116.42 120.52 3hnn h ASP 196 Ca 0.22 -0.13 -0.03 0.00 -0.62 0.00 0.00 57.03 56.48 3hnn h ASP 196 Cb -0.07 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.37 3hnn h ASP 196 CO -0.06 0.81 0.08 1.56 -3.12 0.00 0.00 179.24 178.51 3hnn h GLN 197 N 0.13 0.47 -0.32 3.56 4.20 -0.99 -1.07 115.11 121.08 3hnn h GLN 197 Ca -0.01 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 3hnn h GLN 197 Cb 1.19 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.89 3hnn h GLN 197 CO 0.10 0.54 0.11 -0.09 -0.67 0.00 0.00 178.83 178.82 3hnn h ARG 198 N 0.32 0.49 -0.81 1.46 2.43 -1.30 -2.60 114.38 114.37 3hnn h ARG 198 Ca 0.09 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3hnn h ARG 198 Cb 0.27 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 3hnn h ARG 198 CO -0.00 0.51 0.40 -0.92 -1.51 0.00 0.00 179.97 178.45 3hnn h TYR 199 N 0.37 1.14 -0.76 2.20 3.20 -1.25 -2.00 116.97 119.87 3hnn h TYR 199 Ca 0.11 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 3hnn h TYR 199 Cb 0.21 -0.36 -0.04 0.00 1.54 0.00 0.00 36.73 38.09 3hnn h TYR 199 CO 0.00 0.82 0.44 -0.92 -1.64 0.00 0.00 178.16 176.86 3hnn h TYR 200 N 1.14 1.03 0.00 -3.82 5.03 -1.07 0.18 116.97 119.46 3hnn h TYR 200 Ca 0.28 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.58 3hnn h TYR 200 Cb 0.10 -0.33 0.00 0.00 1.55 0.00 0.00 36.73 38.04 3hnn h TYR 200 CO 0.01 0.71 -0.00 0.35 -1.32 0.00 0.00 178.16 177.91 3hnn h PHE 201 N 1.05 -0.00 -0.76 -3.82 3.04 -1.06 -0.72 116.94 114.67 3hnn h PHE 201 Ca 0.27 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.19 3hnn h PHE 201 Cb 0.00 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.48 3hnn h PHE 201 CO -0.00 0.01 0.36 -0.91 -2.02 0.00 0.00 178.31 175.75 3hnn h ASN 202 N -0.01 0.98 -0.01 0.41 2.35 -1.06 0.36 115.58 118.59 3hnn h ASN 202 Ca -0.00 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.64 3hnn h ASN 202 Cb 0.01 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.13 3hnn h ASN 202 CO 0.00 0.83 -0.01 0.00 -1.65 0.00 0.00 177.43 176.60 3hnn n LEU 204 N -4.86 3.43 0.00 0.00 4.77 -0.29 -4.86 117.00 115.20 3hnn n LEU 204 Ca -0.08 -2.47 0.00 0.00 -0.03 0.00 0.00 56.01 53.43 3hnn n LEU 204 Cb 0.24 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3hnn n LEU 204 CO 0.34 0.71 0.00 0.00 -1.33 0.00 0.00 177.39 177.11 3hnn n ALA 206 N 0.09 0.00 0.31 -1.18 0.00 0.12 -4.78 120.51 115.07 3hnn n ALA 206 Ca 0.16 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.79 3hnn n ALA 206 Cb 0.65 0.00 1.00 0.00 0.00 0.00 0.00 19.45 21.10 3hnn n ALA 206 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3hnn h PRO 207 N 0.00 0.00 -0.79 0.00 0.11 -1.85 -3.01 132.00 126.46 3hnn h PRO 207 Ca 0.00 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.58 3hnn h PRO 207 Cb 0.00 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 30.81 3hnn h PRO 207 CO 0.00 0.02 0.10 0.72 -0.21 0.00 0.00 178.00 178.64 3hnn n HIS 208 N -3.40 2.64 -0.30 0.65 8.25 -1.26 -4.84 115.22 116.96 3hnn n HIS 208 Ca -0.02 -2.39 0.07 0.00 -0.26 0.00 0.00 57.72 55.11 3hnn n HIS 208 Cb 0.12 -0.86 0.22 0.00 1.12 0.00 0.00 29.99 30.60 3hnn n HIS 208 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hnn h ALA 209 N 1.79 1.28 -0.04 -1.41 0.00 -1.88 -0.69 119.26 118.30 3hnn h ALA 209 Ca 0.46 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.35 3hnn h ALA 209 Cb 1.38 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3hnn h ALA 209 CO 1.04 -0.08 -0.44 -0.84 0.00 0.00 0.00 179.25 178.93 3hnn h ILE 210 N 0.63 1.32 -0.00 0.00 3.07 -1.89 -2.14 117.51 118.50 3hnn h ILE 210 Ca 0.46 -1.55 -0.17 0.00 1.55 0.00 0.00 64.86 65.16 3hnn h ILE 210 Cb 0.65 1.78 -0.02 0.00 -0.27 0.00 0.00 36.82 38.96 3hnn h ILE 210 CO -0.36 0.45 -0.78 0.45 -1.05 0.00 0.00 178.15 176.86 3hnn h HIS 211 N 0.08 0.06 -0.37 0.16 3.86 -1.58 -2.43 115.15 114.94 3hnn h HIS 211 Ca 0.00 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 3hnn h HIS 211 Cb 0.81 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.26 3hnn h HIS 211 CO 0.01 0.80 0.13 0.28 0.86 0.00 0.00 177.93 180.01 3hnn h VAL 212 N 0.02 1.20 -0.87 2.45 2.07 -0.89 0.79 116.25 121.02 3hnn h VAL 212 Ca -0.01 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 66.88 3hnn h VAL 212 Cb 1.37 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 3hnn h VAL 212 CO 0.10 0.23 0.58 -0.33 0.02 0.00 0.00 177.57 178.17 3hnn h GLU 213 N 0.45 1.14 -0.77 1.57 5.08 -1.37 0.54 114.58 121.22 3hnn h GLU 213 Ca 0.12 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 3hnn h GLU 213 Cb 0.22 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3hnn h GLU 213 CO -0.01 0.75 0.26 0.00 -1.00 0.00 0.00 179.01 179.02 3hnn h ALA 214 N 1.32 1.00 -0.46 3.43 0.00 -1.17 -1.31 119.26 122.08 3hnn h ALA 214 Ca 0.32 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3hnn h ALA 214 Cb -0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 3hnn h ALA 214 CO -0.07 0.66 0.16 0.00 0.00 0.00 0.00 179.25 180.00 3hnn h ALA 215 N 1.14 0.60 -0.32 0.00 0.00 -0.17 -2.02 119.26 118.49 3hnn h ALA 215 Ca 0.25 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3hnn h ALA 215 Cb 0.28 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3hnn h ALA 215 CO -0.01 0.23 0.00 -0.07 0.00 0.00 0.00 179.25 179.41 3hnn h LEU 216 N 0.60 0.45 -0.29 0.00 3.38 -0.69 -2.32 115.31 116.44 3hnn h LEU 216 Ca 0.15 -0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.86 3hnn h LEU 216 Cb 0.24 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3hnn h LEU 216 CO -0.01 0.52 -0.54 -0.08 0.09 0.00 0.00 178.44 178.42 3hnn h GLU 217 N 0.47 0.87 -0.74 1.13 4.22 -1.13 -2.49 114.58 116.91 3hnn h GLU 217 Ca 0.10 -0.55 0.05 0.00 0.08 0.00 0.00 59.36 59.04 3hnn h GLU 217 Cb 0.30 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 3hnn h GLU 217 CO 0.01 1.19 0.48 0.87 -2.18 0.00 0.00 179.01 179.38 3hnn h LYS 218 N 0.66 0.82 -0.22 1.92 1.57 -0.85 -2.66 116.57 117.82 3hnn h LYS 218 Ca 0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3hnn h LYS 218 Cb 1.15 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.27 3hnn h LYS 218 CO 0.12 0.55 0.00 0.44 -0.57 0.00 0.00 179.45 179.99 3hnn n ILE 219 N -4.46 0.26 0.02 1.86 -5.35 -0.95 -4.58 119.36 106.17 3hnn n ILE 219 Ca 0.10 -0.59 0.03 0.00 -0.27 0.00 0.00 62.75 62.03 3hnn n ILE 219 Cb 0.16 1.07 0.41 0.00 -1.74 0.00 0.00 39.64 39.55 3hnn n ILE 219 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3hnn h SER 220 N 4.20 0.43 -0.60 7.28 4.64 -1.07 -2.99 113.55 125.45 3hnn h SER 220 Ca 0.00 -0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 61.13 3hnn h SER 220 Cb 0.91 -0.11 -0.10 0.00 -0.31 0.00 0.00 62.40 62.79 3hnn h SER 220 CO 0.00 0.36 0.21 0.47 -0.87 0.00 0.00 176.83 177.00 3hnn n ASP 221 N -4.43 4.35 -4.69 4.97 8.00 -1.26 -4.92 116.55 118.57 3hnn n ASP 221 Ca 0.02 -2.96 -0.35 0.00 0.71 0.00 0.00 54.79 52.21 3hnn n ASP 221 Cb 0.10 -0.70 -0.09 0.00 -0.02 0.00 0.00 41.12 40.41 3hnn n ASP 221 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hnn s LEU 222 N -2.39 3.63 -0.31 0.64 1.43 -1.13 -5.08 118.68 115.47 3hnn s LEU 222 Ca 0.45 0.15 -0.26 0.00 -1.03 0.00 0.00 54.13 53.44 3hnn s LEU 222 Cb 0.36 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.74 3hnn s LEU 222 CO 0.11 0.36 0.91 -1.10 0.23 0.00 0.00 176.35 176.87 3hnn s GLN 223 N -0.77 4.01 -0.07 1.70 -0.21 -1.26 -5.04 119.66 118.01 3hnn s GLN 223 Ca 0.12 0.81 0.01 0.00 0.02 0.00 0.00 55.36 56.32 3hnn s GLN 223 Cb -0.12 -3.73 0.02 0.00 1.00 0.00 0.00 33.01 30.18 3hnn s GLN 223 CO 0.02 -0.77 -0.09 0.08 -2.12 0.00 0.00 175.29 172.41 3hnn s VAL 224 N 3.25 0.96 -0.08 1.09 1.01 -1.26 -4.74 120.40 120.62 3hnn s VAL 224 Ca 0.38 -0.33 0.21 0.00 0.00 0.00 0.00 61.98 62.24 3hnn s VAL 224 Cb -0.13 -0.92 -0.30 0.00 0.00 0.00 0.00 36.38 35.02 3hnn s VAL 224 CO 0.13 0.33 0.40 0.54 0.00 0.00 0.00 175.10 176.51 3hnn n ARG 225 N 4.22 0.66 -3.74 2.72 1.74 -0.23 -4.98 116.66 117.06 3hnn n ARG 225 Ca -0.20 -0.13 -0.12 0.00 -0.77 0.00 0.00 57.85 56.63 3hnn n ARG 225 Cb 0.51 -1.54 -0.11 0.00 -1.02 0.00 0.00 32.46 30.30 3hnn n ARG 225 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3hnn s LEU 226 N -4.81 0.47 -0.38 0.55 2.96 -1.24 -4.76 118.68 111.47 3hnn s LEU 226 Ca -0.08 0.71 -0.20 0.00 -0.22 0.00 0.00 54.13 54.33 3hnn s LEU 226 Cb 0.12 1.14 0.01 0.00 0.50 0.00 0.00 46.19 47.96 3hnn s LEU 226 CO 0.88 -0.14 0.63 -0.31 -1.32 0.00 0.00 176.35 176.09 3hnn s TYR 227 N 0.62 3.13 -1.14 5.38 2.02 -0.42 -2.17 117.35 124.77 3hnn s TYR 227 Ca -0.04 0.24 -0.15 0.00 -0.37 0.00 0.00 57.07 56.75 3hnn s TYR 227 Cb -0.05 -3.17 0.16 0.00 -0.40 0.00 0.00 41.96 38.50 3hnn s TYR 227 CO -0.04 -0.68 1.37 0.00 -1.57 0.00 0.00 175.55 174.63 3hnn s ALA 228 N 2.71 3.84 0.71 3.71 0.00 0.14 -1.70 121.76 131.16 3hnn s ALA 228 Ca 0.23 -3.22 -0.11 0.00 0.00 0.00 0.00 51.96 48.87 3hnn s ALA 228 Cb -0.14 -4.12 0.01 0.00 0.00 0.00 0.00 23.12 18.87 3hnn s ALA 228 CO 0.16 -2.83 1.06 0.14 0.00 0.00 0.00 175.76 174.29 3hnn s VAL 229 N 1.88 3.93 -0.06 0.00 -7.23 -1.26 -2.67 120.40 114.99 3hnn s VAL 229 Ca 0.40 0.63 0.12 0.00 -1.81 0.00 0.00 61.98 61.32 3hnn s VAL 229 Cb -0.03 -3.37 -0.04 0.00 0.56 0.00 0.00 36.38 33.50 3hnn s VAL 229 CO -0.02 -0.82 1.38 1.23 -0.31 0.00 0.00 175.10 176.57 3hnn h GLY 230 N -0.76 0.00 -5.75 2.32 0.00 -0.72 -3.42 103.07 94.74 3hnn h GLY 230 Ca -0.44 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.44 3hnn h GLY 230 CO 0.57 0.00 -0.79 0.30 0.00 0.00 0.00 176.54 176.62 3hnn s HIS 231 N -2.87 1.08 0.00 5.60 3.76 -1.26 -0.47 115.29 121.13 3hnn s HIS 231 Ca 0.03 -0.32 0.00 0.00 -0.15 0.00 0.00 55.06 54.62 3hnn s HIS 231 Cb 0.08 -0.80 0.00 0.00 1.11 0.00 0.00 32.58 32.97 3hnn s HIS 231 CO 0.77 -0.17 0.00 0.41 -0.85 0.00 0.00 174.74 174.91 3hnn n GLY 232 N 3.57 -1.82 3.75 -2.22 0.00 -1.01 -1.65 105.19 105.82 3hnn n GLY 232 Ca -0.21 -1.62 -0.37 0.00 0.00 0.00 0.00 46.02 43.82 3hnn n GLY 232 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hnn s PRO 233 N 0.00 3.11 0.37 1.61 0.02 -1.26 -4.88 135.00 133.96 3hnn s PRO 233 Ca 0.00 2.02 -0.27 0.00 0.02 0.00 0.00 61.00 62.77 3hnn s PRO 233 Cb 0.00 -2.13 -0.09 0.00 0.02 0.00 0.00 34.50 32.30 3hnn s PRO 233 CO 0.00 -1.15 1.26 -0.51 -0.33 0.00 0.00 177.00 176.27 3hnn s LEU 234 N -3.72 4.31 -0.37 -5.54 1.02 0.30 -4.68 118.68 110.00 3hnn s LEU 234 Ca 0.74 2.56 -0.14 0.00 0.02 0.00 0.00 54.13 57.31 3hnn s LEU 234 Cb -0.35 -3.82 0.00 0.00 0.02 0.00 0.00 46.19 42.04 3hnn s LEU 234 CO 0.40 -0.64 0.26 -0.69 0.02 0.00 0.00 176.35 175.70 3hnn s VAL 235 N -1.25 5.22 0.14 -1.59 1.01 -0.69 -0.45 120.40 122.79 3hnn s VAL 235 Ca 0.53 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.06 3hnn s VAL 235 Cb -0.36 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.22 3hnn s VAL 235 CO 0.47 -0.15 0.00 -1.14 0.00 0.00 0.00 175.10 174.28 3hnn n ARG 236 N 5.12 0.00 -0.12 2.72 0.63 -1.26 -1.30 116.66 122.45 3hnn n ARG 236 Ca -0.12 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.75 3hnn n ARG 236 Cb 0.48 -0.20 0.12 0.00 0.45 0.00 0.00 32.46 33.31 3hnn n ARG 236 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 3hnn h THR 237 N 0.00 1.26 -0.01 5.15 2.02 -1.87 -3.15 112.91 116.31 3hnn h THR 237 Ca 0.00 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.03 3hnn h THR 237 Cb 0.00 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3hnn h THR 237 CO 0.00 0.40 -0.33 -1.20 0.37 0.00 0.00 175.52 174.76 3hnn n SER 238 N -4.17 1.48 -0.13 4.18 7.64 -1.26 -4.67 113.62 116.69 3hnn n SER 238 Ca 0.02 -1.19 -0.06 0.00 1.01 0.00 0.00 58.87 58.65 3hnn n SER 238 Cb 0.35 0.27 -0.00 0.00 -1.01 0.00 0.00 64.21 63.82 3hnn n SER 238 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3hnn h LEU 239 N 1.81 -0.98 -0.41 -3.43 6.46 -1.79 0.53 115.31 117.49 3hnn h LEU 239 Ca 0.00 0.19 -0.17 0.00 -0.12 0.00 0.00 57.88 57.78 3hnn h LEU 239 Cb 0.62 0.48 -0.00 0.00 -0.73 0.00 0.00 40.66 41.02 3hnn h LEU 239 CO 0.00 -0.30 -0.50 0.40 -0.62 0.00 0.00 178.44 177.42 3hnn h ILE 240 N -0.20 1.29 -0.22 4.05 2.04 -1.85 -2.10 117.51 120.51 3hnn h ILE 240 Ca 0.19 -1.70 -0.01 0.00 1.00 0.00 0.00 64.86 64.34 3hnn h ILE 240 Cb 0.52 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 3hnn h ILE 240 CO -0.55 0.55 0.10 0.00 0.00 0.00 0.00 178.15 178.25 3hnn h ALA 241 N 0.82 0.28 -0.45 1.87 0.00 -1.69 -2.53 119.26 117.56 3hnn h ALA 241 Ca 0.02 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3hnn h ALA 241 Cb 1.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3hnn h ALA 241 CO 0.11 -0.15 -0.16 1.25 0.00 0.00 0.00 179.25 180.30 3hnn h LEU 242 N 0.22 0.87 -0.43 0.00 5.85 0.07 -0.38 115.31 121.50 3hnn h LEU 242 Ca 0.08 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 3hnn h LEU 242 Cb 0.13 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3hnn h LEU 242 CO -0.01 1.02 0.18 0.74 -0.34 0.00 0.00 178.44 180.03 3hnn h THR 243 N 0.77 1.20 -0.66 1.05 2.02 -1.37 0.21 112.91 116.13 3hnn h THR 243 Ca 0.12 -0.60 -0.09 0.00 0.77 0.00 0.00 66.41 66.61 3hnn h THR 243 Cb 0.68 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 3hnn h THR 243 CO 0.05 0.22 0.07 -0.61 0.37 0.00 0.00 175.52 175.62 3hnn h GLN 244 N 0.56 1.11 -0.34 6.66 5.75 -1.27 -2.17 115.11 125.40 3hnn h GLN 244 Ca 0.14 -0.32 -0.02 0.00 -0.15 0.00 0.00 58.65 58.30 3hnn h GLN 244 Cb 0.18 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 3hnn h GLN 244 CO -0.01 1.04 0.12 0.00 -2.65 0.00 0.00 178.83 177.33 3hnn h ALA 245 N 1.03 0.45 -0.76 3.38 0.00 -0.85 0.17 119.26 122.68 3hnn h ALA 245 Ca 0.19 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.03 3hnn h ALA 245 Cb 0.49 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3hnn h ALA 245 CO 0.02 0.07 0.44 1.88 0.00 0.00 0.00 179.25 181.65 3hnn h TYR 246 N 0.41 0.80 0.37 0.00 0.99 -0.39 0.57 116.97 119.71 3hnn h TYR 246 Ca 0.11 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.85 3hnn h TYR 246 Cb 0.22 -0.25 0.00 0.00 1.00 0.00 0.00 36.73 37.70 3hnn h TYR 246 CO 0.00 0.37 -0.18 0.00 -0.00 0.00 0.00 178.16 178.36 3hnn h ALA 247 N 1.39 -0.50 -0.15 3.88 0.00 -1.26 -0.98 119.26 121.64 3hnn h ALA 247 Ca 0.35 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3hnn h ALA 247 Cb 0.24 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3hnn h ALA 247 CO -0.20 -0.77 0.02 -0.44 0.00 0.00 0.00 179.25 177.86 3hnn h ASP 248 N -0.51 -0.01 -0.24 0.00 3.32 -0.51 -1.46 116.42 117.02 3hnn h ASP 248 Ca -0.05 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 3hnn h ASP 248 Cb 0.39 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3hnn h ASP 248 CO 0.08 0.02 -0.07 -0.50 -1.72 0.00 0.00 179.24 177.06 3hnn h TRP 249 N 0.08 0.63 -0.19 4.55 6.55 0.11 -1.92 115.95 125.77 3hnn h TRP 249 Ca 0.07 -0.09 -0.03 0.00 0.95 0.00 0.00 58.89 59.79 3hnn h TRP 249 Cb 0.07 -0.17 -0.01 0.00 -0.86 0.00 0.00 29.16 28.19 3hnn h TRP 249 CO -0.13 0.65 0.01 0.77 -1.05 0.00 0.00 178.44 178.69 3hnn h SER 250 N 0.56 0.31 -0.69 -3.49 0.02 -0.93 -0.83 113.55 108.50 3hnn h SER 250 Ca 0.11 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 60.74 3hnn h SER 250 Cb 0.45 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 3hnn h SER 250 CO 0.02 0.53 0.34 0.07 -1.14 0.00 0.00 176.83 176.65 3hnn h LYS 251 N 0.09 1.02 -0.27 3.45 2.10 -1.16 -1.75 116.57 120.05 3hnn h LYS 251 Ca 0.05 -0.14 -0.05 0.00 -2.00 0.00 0.00 60.65 58.51 3hnn h LYS 251 Cb 0.36 -0.19 -0.02 0.00 -0.90 0.00 0.00 32.23 31.49 3hnn h LYS 251 CO 0.01 0.79 -0.05 0.00 -2.00 0.00 0.00 179.45 178.20 3hnn h ALA 252 N 1.36 1.42 -0.23 0.07 0.00 -1.24 -2.74 119.26 117.90 3hnn h ALA 252 Ca 0.25 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 3hnn h ALA 252 Cb 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3hnn h ALA 252 CO -0.03 0.40 -0.48 0.37 0.00 0.00 0.00 179.25 179.52 3hnn h GLN 253 N 0.40 0.61 -0.16 0.00 5.75 -0.32 -3.11 115.11 118.27 3hnn h GLN 253 Ca 0.09 -0.35 -0.04 0.00 -0.15 0.00 0.00 58.65 58.20 3hnn h GLN 253 Cb 0.34 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 3hnn h GLN 253 CO 0.01 0.95 -0.08 0.87 -2.65 0.00 0.00 178.83 177.93 3hnn h LYS 254 N 0.48 0.25 0.00 1.69 1.57 -1.06 -0.76 116.57 118.74 3hnn h LYS 254 Ca 0.03 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3hnn h LYS 254 Cb 1.01 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.28 3hnn h LYS 254 CO 0.09 0.35 0.00 1.28 -0.57 0.00 0.00 179.45 180.60 3hnn n LEU 255 N -4.31 0.00 -0.93 2.94 4.77 -1.13 -5.13 117.00 113.21 3hnn n LEU 255 Ca -0.01 0.03 0.12 0.00 -0.03 0.00 0.00 56.01 56.12 3hnn n LEU 255 Cb 0.24 -0.03 0.10 0.00 -2.33 0.00 0.00 43.42 41.40 3hnn n LEU 255 CO 0.37 -0.01 0.62 -0.62 -1.33 0.00 0.00 177.39 176.42