#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 0.00 -1.69 1.43 4.81 -1.26 -4.99 118.16 116.46 3hnn n LYS 5 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.14 3hnn n LYS 5 Cb 0.00 -0.08 0.08 0.00 0.02 0.00 0.00 35.03 35.05 3hnn n LYS 5 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3hnn s PRO 6 N -1.81 2.22 0.17 1.64 0.04 -1.26 -4.59 135.00 131.41 3hnn s PRO 6 Ca 0.00 0.50 -0.30 0.00 0.04 0.00 0.00 61.00 61.23 3hnn s PRO 6 Cb 0.00 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 3hnn s PRO 6 CO 0.00 -1.49 1.24 1.03 0.04 0.00 0.00 177.00 177.81 3hnn s ARG 7 N -5.27 4.45 0.32 4.56 0.52 -1.26 -4.79 118.95 117.47 3hnn s ARG 7 Ca 0.60 1.91 0.05 0.00 -0.52 0.00 0.00 55.73 57.78 3hnn s ARG 7 Cb -0.13 -3.25 -0.03 0.00 0.52 0.00 0.00 34.95 32.06 3hnn s ARG 7 CO 0.53 -0.17 0.22 0.16 0.02 0.00 0.00 175.30 176.05 3hnn s ASP 8 N 0.37 1.58 -0.14 0.23 1.47 -1.13 -4.98 116.67 114.07 3hnn s ASP 8 Ca 0.55 -1.66 0.02 0.00 1.18 0.00 0.00 52.55 52.64 3hnn s ASP 8 Cb -0.33 0.50 0.01 0.00 -0.34 0.00 0.00 42.92 42.76 3hnn s ASP 8 CO 0.35 -0.99 -0.20 -0.69 0.68 0.00 0.00 175.17 174.33 3hnn s VAL 9 N -3.54 1.89 -0.29 2.11 1.01 -1.26 -0.35 120.40 119.96 3hnn s VAL 9 Ca 0.37 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 3hnn s VAL 9 Cb 0.03 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 3hnn s VAL 9 CO 0.22 0.52 0.26 -1.58 0.00 0.00 0.00 175.10 174.51 3hnn s GLN 10 N 0.94 3.85 -0.15 2.72 0.74 0.62 -4.90 119.66 123.48 3hnn s GLN 10 Ca -0.05 -0.30 -0.02 0.00 0.05 0.00 0.00 55.36 55.04 3hnn s GLN 10 Cb -0.15 -3.70 -0.02 0.00 1.10 0.00 0.00 33.01 30.24 3hnn s GLN 10 CO -0.03 -0.28 -0.07 0.08 -0.55 0.00 0.00 175.29 174.43 3hnn s VAL 11 N 1.85 3.54 -0.12 1.34 1.01 -1.26 -0.18 120.40 126.58 3hnn s VAL 11 Ca 0.09 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 3hnn s VAL 11 Cb -0.16 -2.53 0.03 0.00 0.00 0.00 0.00 36.38 33.72 3hnn s VAL 11 CO 0.11 0.50 0.33 -0.22 0.00 0.00 0.00 175.10 175.82 3hnn s LEU 12 N 0.40 0.70 0.28 3.92 2.96 -0.56 -4.98 118.68 121.40 3hnn s LEU 12 Ca -0.06 0.66 -0.29 0.00 -0.22 0.00 0.00 54.13 54.21 3hnn s LEU 12 Cb -0.15 1.11 -0.10 0.00 0.50 0.00 0.00 46.19 47.55 3hnn s LEU 12 CO 0.04 -0.12 1.35 -2.84 -1.32 0.00 0.00 176.35 173.46 3hnn s PRO 13 N 0.29 4.33 0.00 0.98 0.02 -1.26 -0.45 135.00 138.91 3hnn s PRO 13 Ca -0.01 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.22 3hnn s PRO 13 Cb -0.03 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.38 3hnn s PRO 13 CO -0.01 -0.27 0.00 0.44 -0.33 0.00 0.00 177.00 176.83 3hnn n ILE 14 N 1.63 0.00 -3.84 2.83 -5.35 -0.21 -4.88 119.36 109.54 3hnn n ILE 14 Ca 0.03 -0.01 -0.06 0.00 -0.27 0.00 0.00 62.75 62.43 3hnn n ILE 14 Cb 0.41 0.41 0.02 0.00 -1.74 0.00 0.00 39.64 38.75 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 -1.53 -1.09 -0.08 -1.28 0.00 -1.17 -5.02 121.76 111.59 3hnn s ALA 15 Ca 0.00 -0.58 -0.36 0.00 0.00 0.00 0.00 51.96 51.03 3hnn s ALA 15 Cb 0.00 0.71 -0.13 0.00 0.00 0.00 0.00 23.12 23.70 3hnn s ALA 15 CO 0.00 -1.02 1.76 2.41 0.00 0.00 0.00 175.76 178.91 3hnn n THR 16 N -0.60 0.39 -1.39 0.00 -1.04 -1.26 -0.97 114.28 109.41 3hnn n THR 16 Ca -0.06 -0.07 -0.13 0.00 -2.04 0.00 0.00 64.05 61.75 3hnn n THR 16 Cb 0.60 -1.60 -0.06 0.00 -1.82 0.00 0.00 70.33 67.45 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 5.55 -5.70 -4.16 8.00 5.03 -1.26 -4.92 115.26 117.79 3hnn n ASN 17 Ca 0.22 0.33 -0.28 0.00 0.87 0.00 0.00 54.58 55.72 3hnn n ASN 17 Cb 0.25 -4.37 -0.16 0.00 -1.02 0.00 0.00 39.78 34.47 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 -2.13 1.64 0.12 3.41 2.01 -0.15 -1.27 115.64 119.28 3hnn s THR 18 Ca 0.00 -0.82 0.07 0.00 0.31 0.00 0.00 61.69 61.25 3hnn s THR 18 Cb 0.00 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 3hnn s THR 18 CO 0.00 0.47 -0.16 -0.54 -0.69 0.00 0.00 174.62 173.69 3hnn s LYS 19 N 0.14 1.09 -0.02 4.92 1.02 -0.57 -1.05 119.74 125.26 3hnn s LYS 19 Ca -0.08 -1.24 0.01 0.00 0.02 0.00 0.00 55.97 54.68 3hnn s LYS 19 Cb -0.14 -1.10 -0.03 0.00 -0.52 0.00 0.00 37.83 36.04 3hnn s LYS 19 CO 0.04 0.23 -0.03 0.54 -0.92 0.00 0.00 175.35 175.20 3hnn s VAL 20 N -1.84 3.93 -0.33 3.17 0.11 0.41 -1.95 120.40 123.89 3hnn s VAL 20 Ca 0.09 -0.59 -0.04 0.00 -2.93 0.00 0.00 61.98 58.51 3hnn s VAL 20 Cb -0.07 -2.70 0.05 0.00 -1.53 0.00 0.00 36.38 32.14 3hnn s VAL 20 CO 0.04 0.45 0.07 -0.76 -3.33 0.00 0.00 175.10 171.58 3hnn s LEU 21 N -1.29 4.26 -0.41 2.54 1.02 0.33 -1.50 118.68 123.63 3hnn s LEU 21 Ca 0.17 -1.31 -0.15 0.00 0.02 0.00 0.00 54.13 52.85 3hnn s LEU 21 Cb -0.11 -1.80 0.02 0.00 0.02 0.00 0.00 46.19 44.32 3hnn s LEU 21 CO 0.07 -0.33 0.30 -0.13 0.02 0.00 0.00 176.35 176.28 3hnn s ARG 22 N 1.31 2.97 -0.18 1.70 0.52 0.75 -1.21 118.95 124.81 3hnn s ARG 22 Ca -0.02 -1.03 -0.27 0.00 -0.52 0.00 0.00 55.73 53.89 3hnn s ARG 22 Cb -0.20 -3.98 -0.01 0.00 0.52 0.00 0.00 34.95 31.28 3hnn s ARG 22 CO 0.00 -0.76 0.92 0.00 0.02 0.00 0.00 175.30 175.49 3hnn s ALA 23 N 1.68 3.55 -0.00 2.13 0.00 -0.34 -0.28 121.76 128.49 3hnn s ALA 23 Ca 0.05 0.12 0.06 0.00 0.00 0.00 0.00 51.96 52.19 3hnn s ALA 23 Cb -0.19 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 3hnn s ALA 23 CO 0.10 -0.77 -0.19 1.03 0.00 0.00 0.00 175.76 175.93 3hnn s ARG 24 N 2.45 2.20 -0.05 0.00 0.52 0.52 -0.52 118.95 124.07 3hnn s ARG 24 Ca 0.41 -0.88 0.00 0.00 -0.52 0.00 0.00 55.73 54.74 3hnn s ARG 24 Cb -0.16 -2.20 0.02 0.00 0.52 0.00 0.00 34.95 33.13 3hnn s ARG 24 CO 0.11 0.57 -0.03 0.45 0.02 0.00 0.00 175.30 176.42 3hnn s SER 25 N -1.01 1.07 0.20 0.23 0.15 -0.58 -2.84 113.70 110.92 3hnn s SER 25 Ca 0.12 -0.12 0.25 0.00 0.70 0.00 0.00 55.95 56.91 3hnn s SER 25 Cb -0.10 -0.44 0.89 0.00 -1.71 0.00 0.00 66.02 64.66 3hnn s SER 25 CO 0.02 -0.09 1.76 0.79 1.20 0.00 0.00 173.24 176.92 3hnn n TRP 26 N 4.31 0.78 -4.61 3.44 7.02 -1.26 -0.91 117.44 126.21 3hnn n TRP 26 Ca -0.21 0.25 -0.28 0.00 -1.02 0.00 0.00 57.50 56.24 3hnn n TRP 26 Cb 0.51 -0.91 -0.09 0.00 -2.42 0.00 0.00 31.31 28.39 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 -4.26 3.48 0.52 -0.99 1.04 -1.26 -3.34 113.70 108.89 3hnn s SER 27 Ca 0.09 -1.51 -0.21 0.00 0.48 0.00 0.00 55.95 54.79 3hnn s SER 27 Cb 0.12 0.10 -0.07 0.00 0.10 0.00 0.00 66.02 66.27 3hnn s SER 27 CO 0.52 -0.69 1.09 -2.11 0.98 0.00 0.00 173.24 173.03 3hnn n ARG 28 N -1.00 1.29 0.01 4.02 0.00 -1.26 -4.40 116.66 115.33 3hnn n ARG 28 Ca -0.09 0.48 -0.06 0.00 -0.00 0.00 0.00 57.85 58.18 3hnn n ARG 28 Cb 0.67 -2.24 -0.12 0.00 -0.00 0.00 0.00 32.46 30.77 3hnn n ARG 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 3hnn h LEU 29 N 1.13 0.00 -7.88 2.89 5.85 -1.95 -3.48 115.31 111.86 3hnn h LEU 29 Ca -0.48 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.11 3hnn h LEU 29 Cb 1.34 0.00 -0.18 0.00 0.37 0.00 0.00 40.66 42.19 3hnn h LEU 29 CO 0.55 0.87 -0.52 -0.13 -0.34 0.00 0.00 178.44 178.86 3hnn s ARG 30 N -2.71 0.57 -1.38 1.25 1.81 -1.26 -5.06 118.95 112.17 3hnn s ARG 30 Ca -0.03 -0.71 -0.12 0.00 -1.72 0.00 0.00 55.73 53.15 3hnn s ARG 30 Cb 0.08 0.22 0.10 0.00 -0.45 0.00 0.00 34.95 34.91 3hnn s ARG 30 CO 0.82 -0.14 2.06 1.19 -0.68 0.00 0.00 175.30 178.54 3hnn n PHE 31 N 0.86 3.31 -4.14 -0.53 3.72 -1.26 -4.78 117.46 114.64 3hnn n PHE 31 Ca -0.19 -2.90 -0.09 0.00 -0.05 0.00 0.00 57.45 54.22 3hnn n PHE 31 Cb 0.58 -2.29 -0.10 0.00 -0.94 0.00 0.00 39.48 36.73 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 1.97 0.78 0.53 -1.08 0.41 -1.26 -5.05 118.70 115.01 3hnn s GLU 32 Ca 0.44 -1.33 0.23 0.00 -0.41 0.00 0.00 54.97 53.90 3hnn s GLU 32 Cb 0.12 0.06 1.38 0.00 -1.78 0.00 0.00 34.13 33.91 3hnn s GLU 32 CO -0.04 -0.12 2.03 -0.84 -0.49 0.00 0.00 175.26 175.80 3hnn h ILE 33 N 3.00 0.78 -0.25 -1.63 3.07 -2.01 -2.02 117.51 118.45 3hnn h ILE 33 Ca -0.35 0.00 0.07 0.00 1.55 0.00 0.00 64.86 66.13 3hnn h ILE 33 Cb 1.17 0.80 -0.01 0.00 -0.27 0.00 0.00 36.82 38.50 3hnn h ILE 33 CO 0.64 0.00 0.22 -0.33 -1.05 0.00 0.00 178.15 177.63 3hnn h GLU 34 N 0.00 0.00 -0.58 0.16 3.07 -1.96 -1.33 114.58 113.94 3hnn h GLU 34 Ca 0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 3hnn h GLU 34 Cb 0.76 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 3hnn h GLU 34 CO -0.00 0.00 0.00 0.66 -1.40 0.00 0.00 179.01 178.27 3hnn n TYR 35 N -4.09 0.95 0.82 4.33 4.01 -0.76 -4.65 117.16 117.77 3hnn n TYR 35 Ca 0.03 -0.55 0.13 0.00 -0.16 0.00 0.00 57.90 57.35 3hnn n TYR 35 Cb 0.36 -0.08 0.53 0.00 -0.31 0.00 0.00 39.34 39.84 3hnn n TYR 35 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hnn n ALA 36 N 1.10 2.20 1.45 -0.72 0.00 -0.50 -1.53 120.51 122.51 3hnn n ALA 36 Ca 0.21 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.72 3hnn n ALA 36 Cb 0.64 -1.44 0.74 0.00 0.00 0.00 0.00 19.45 19.39 3hnn n ALA 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hnn n LEU 37 N -1.72 0.00 -3.69 0.00 4.77 -1.26 -4.95 117.00 110.15 3hnn n LEU 37 Ca 0.06 0.19 -0.21 0.00 -0.03 0.00 0.00 56.01 56.01 3hnn n LEU 37 Cb 0.33 -0.19 0.03 0.00 -2.33 0.00 0.00 43.42 41.27 3hnn n LEU 37 CO 0.26 -0.02 -0.07 -0.62 -1.33 0.00 0.00 177.39 175.61 3hnn n GLU 38 N -1.19 -4.74 -0.03 3.23 -0.58 -0.58 -4.92 120.64 111.83 3hnn n GLU 38 Ca 0.16 0.62 0.03 0.00 -0.42 0.00 0.00 57.16 57.55 3hnn n GLU 38 Cb 0.17 -5.15 0.04 0.00 -0.57 0.00 0.00 31.44 25.93 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 -4.25 2.39 0.00 3.49 1.74 -1.26 -5.04 116.66 113.73 3hnn n ARG 39 Ca -0.29 -1.82 0.00 0.00 -0.77 0.00 0.00 57.85 54.97 3hnn n ARG 39 Cb 0.68 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.97 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 -0.79 -1.02 3.79 -0.13 0.00 -1.21 -0.87 105.19 104.96 3hnn n GLY 40 Ca 0.05 -1.19 -0.08 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.09 -2.78 115.64 114.18 3hnn s THR 41 Ca 0.00 -1.11 0.04 0.00 -1.21 0.00 0.00 61.69 59.41 3hnn s THR 41 Cb 0.00 -2.10 -0.04 0.00 -1.51 0.00 0.00 72.50 68.86 3hnn s THR 41 CO 0.00 0.00 -0.10 0.42 -2.21 0.00 0.00 174.62 172.73 3hnn s THR 42 N -3.87 1.00 -0.16 5.08 -4.23 -1.26 -1.52 115.64 110.68 3hnn s THR 42 Ca 0.14 -1.78 0.01 0.00 -1.18 0.00 0.00 61.69 58.88 3hnn s THR 42 Cb -0.05 -1.53 0.02 0.00 1.34 0.00 0.00 72.50 72.29 3hnn s THR 42 CO 0.08 -0.63 -0.17 -0.44 -0.54 0.00 0.00 174.62 172.92 3hnn s SER 43 N -2.69 2.91 -0.14 3.99 0.01 0.32 -3.63 113.70 114.46 3hnn s SER 43 Ca 0.09 -0.57 -0.03 0.00 1.31 0.00 0.00 55.95 56.75 3hnn s SER 43 Cb -0.01 -1.33 -0.03 0.00 0.21 0.00 0.00 66.02 64.86 3hnn s SER 43 CO -0.00 -0.02 -0.02 0.20 0.41 0.00 0.00 173.24 173.81 3hnn s ASN 44 N 1.36 4.99 0.18 2.44 0.01 0.10 -1.20 114.94 122.83 3hnn s ASN 44 Ca 0.04 -0.03 0.10 0.00 -0.71 0.00 0.00 52.86 52.25 3hnn s ASN 44 Cb -0.13 -1.70 -0.04 0.00 0.41 0.00 0.00 41.25 39.79 3hnn s ASN 44 CO -0.11 0.23 -0.20 -0.55 -1.51 0.00 0.00 177.10 174.96 3hnn s SER 45 N 0.02 2.95 0.11 -1.22 0.15 -0.35 -4.72 113.70 110.64 3hnn s SER 45 Ca 0.02 -0.88 0.04 0.00 0.70 0.00 0.00 55.95 55.82 3hnn s SER 45 Cb -0.13 -0.19 -0.04 0.00 -1.71 0.00 0.00 66.02 63.95 3hnn s SER 45 CO 0.02 0.01 -0.10 -0.31 1.20 0.00 0.00 173.24 174.06 3hnn s TYR 46 N -2.03 1.15 -0.07 3.44 1.51 -0.68 -0.51 117.35 120.15 3hnn s TYR 46 Ca 0.19 -0.69 0.01 0.00 -1.01 0.00 0.00 57.07 55.56 3hnn s TYR 46 Cb -0.06 -0.61 0.02 0.00 -0.11 0.00 0.00 41.96 41.20 3hnn s TYR 46 CO 0.08 0.03 -0.08 0.08 -1.11 0.00 0.00 175.55 174.55 3hnn s VAL 47 N -2.75 0.86 -0.17 0.71 1.01 -0.82 -0.35 120.40 118.90 3hnn s VAL 47 Ca 0.10 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 61.78 3hnn s VAL 47 Cb -0.01 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.52 3hnn s VAL 47 CO 0.00 0.31 -0.14 -0.63 0.00 0.00 0.00 175.10 174.64 3hnn s ILE 48 N 1.00 2.72 -0.51 2.22 1.01 0.22 -1.52 121.20 126.36 3hnn s ILE 48 Ca -0.09 -0.74 -0.02 0.00 0.00 0.00 0.00 60.65 59.80 3hnn s ILE 48 Cb -0.15 -2.16 0.13 0.00 0.01 0.00 0.00 42.46 40.29 3hnn s ILE 48 CO -0.00 0.50 0.30 -1.61 0.00 0.00 0.00 174.94 174.14 3hnn s GLU 49 N 0.95 2.21 0.00 2.79 2.02 -0.40 -1.19 118.70 125.07 3hnn s GLU 49 Ca -0.03 -2.22 0.00 0.00 0.02 0.00 0.00 54.97 52.75 3hnn s GLU 49 Cb -0.15 -3.60 0.00 0.00 0.10 0.00 0.00 34.13 30.48 3hnn s GLU 49 CO -0.02 -1.11 0.00 0.41 0.02 0.00 0.00 175.26 174.56 3hnn n GLY 50 N 3.94 1.10 0.26 -1.39 0.00 -1.26 -4.78 105.19 103.05 3hnn n GLY 50 Ca 0.03 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 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 0.89 -2.79 1.61 3.32 0.22 -3.44 116.42 116.23 3hnn h ASP 51 Ca 0.00 -0.33 -0.59 0.00 0.02 0.00 0.00 57.03 56.13 3hnn h ASP 51 Cb 0.00 -0.24 -0.09 0.00 0.22 0.00 0.00 39.33 39.22 3hnn h ASP 51 CO 0.00 1.01 -0.61 -0.54 -1.72 0.00 0.00 179.24 177.38 3hnn s LYS 52 N -4.91 2.67 -0.12 3.56 1.02 -0.12 -5.03 119.74 116.82 3hnn s LYS 52 Ca -0.12 -0.97 -0.01 0.00 0.02 0.00 0.00 55.97 54.88 3hnn s LYS 52 Cb 0.12 -2.52 -0.03 0.00 -0.52 0.00 0.00 37.83 34.88 3hnn s LYS 52 CO 0.83 0.47 -0.07 0.99 -0.92 0.00 0.00 175.35 176.66 3hnn s THR 53 N -1.74 3.64 -0.01 2.17 2.01 -1.26 -4.53 115.64 115.92 3hnn s THR 53 Ca 0.29 -0.47 0.06 0.00 0.31 0.00 0.00 61.69 61.88 3hnn s THR 53 Cb -0.10 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.86 3hnn s THR 53 CO 0.21 0.54 -0.20 0.00 -0.69 0.00 0.00 174.62 174.48 3hnn s ALA 54 N -0.11 1.65 0.04 7.40 0.00 -0.34 -1.23 121.76 129.17 3hnn s ALA 54 Ca 0.01 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.14 3hnn s ALA 54 Cb -0.13 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 3hnn s ALA 54 CO 0.03 0.40 0.02 0.96 0.00 0.00 0.00 175.76 177.17 3hnn s ILE 55 N -0.47 4.23 -0.14 0.00 -4.36 -0.07 -0.61 121.20 119.78 3hnn s ILE 55 Ca 0.08 -0.72 0.02 0.00 -0.26 0.00 0.00 60.65 59.77 3hnn s ILE 55 Cb -0.08 -2.95 0.01 0.00 1.25 0.00 0.00 42.46 40.69 3hnn s ILE 55 CO -0.01 0.26 -0.21 -0.63 0.24 0.00 0.00 174.94 174.59 3hnn s ILE 56 N -1.21 2.03 -0.65 8.37 1.01 0.53 -0.67 121.20 130.62 3hnn s ILE 56 Ca 0.23 -0.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.91 3hnn s ILE 56 Cb -0.12 -1.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 3hnn s ILE 56 CO 0.15 0.54 0.60 0.47 0.00 0.00 0.00 174.94 176.70 3hnn n ASP 57 N 4.13 -6.70 -4.75 3.58 8.00 -0.13 -1.69 116.55 118.99 3hnn n ASP 57 Ca -0.20 -0.13 -0.42 0.00 0.71 0.00 0.00 54.79 54.76 3hnn n ASP 57 Cb 0.51 -4.56 -0.01 0.00 -0.02 0.00 0.00 41.12 37.05 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 -1.80 2.59 -1.48 -0.24 -0.02 -1.26 -4.32 135.00 128.46 3hnn n PRO 58 Ca -0.01 0.91 -0.29 0.00 -2.02 0.00 0.00 63.50 62.09 3hnn n PRO 58 Cb 0.51 -2.64 0.17 0.00 -0.02 0.00 0.00 33.50 31.52 3hnn n PRO 58 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3hnn s PRO 59 N -1.45 0.52 0.96 0.52 0.04 -1.26 -4.99 135.00 129.34 3hnn s PRO 59 Ca 0.58 0.11 -0.12 0.00 0.04 0.00 0.00 61.00 61.62 3hnn s PRO 59 Cb -0.50 -1.78 0.16 0.00 0.04 0.00 0.00 34.50 32.42 3hnn s PRO 59 CO 0.58 -2.58 1.09 0.14 0.04 0.00 0.00 177.00 176.26 3hnn s VAL 60 N -3.30 2.42 0.52 -0.36 -7.23 -1.26 -4.71 120.40 106.48 3hnn s VAL 60 Ca 0.67 0.14 0.26 0.00 -1.81 0.00 0.00 61.98 61.24 3hnn s VAL 60 Cb -0.12 -2.47 0.42 0.00 0.56 0.00 0.00 36.38 34.77 3hnn s VAL 60 CO 0.54 -0.18 1.95 1.05 -0.31 0.00 0.00 175.10 178.15 3hnn h GLU 61 N -1.82 0.06 0.00 4.82 4.11 -1.68 -1.17 114.58 118.90 3hnn h GLU 61 Ca -0.51 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.90 3hnn h GLU 61 Cb 1.29 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 3hnn h GLU 61 CO 0.52 0.04 -0.06 0.66 0.07 0.00 0.00 179.01 180.24 3hnn h SER 62 N 0.06 0.00 -3.04 3.06 4.64 -1.90 -3.40 113.55 112.97 3hnn h SER 62 Ca 0.33 0.00 -0.75 0.00 -0.47 0.00 0.00 61.79 60.90 3hnn h SER 62 Cb 1.23 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 63.00 3hnn h SER 62 CO -0.02 0.06 0.31 0.49 -0.87 0.00 0.00 176.83 176.80 3hnn n PHE 63 N -3.61 3.57 0.00 4.77 3.72 -0.45 -4.94 117.46 120.52 3hnn n PHE 63 Ca -0.02 -3.46 0.00 0.00 -0.05 0.00 0.00 57.45 53.92 3hnn n PHE 63 Cb 0.17 -1.22 0.00 0.00 -0.94 0.00 0.00 39.48 37.49 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 1.76 0.00 0.20 -1.08 4.81 -1.26 -1.15 118.16 121.43 3hnn n LYS 65 Ca 0.25 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.74 3hnn n LYS 65 Cb 0.36 0.00 0.49 0.00 0.02 0.00 0.00 35.03 35.90 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 1.13 0.07 3.15 3.07 -1.96 -2.33 117.51 120.64 3hnn h ILE 66 Ca 0.00 -0.57 -0.00 0.00 1.55 0.00 0.00 64.86 65.84 3hnn h ILE 66 Cb 0.00 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 37.79 3hnn h ILE 66 CO 0.00 0.17 -0.03 0.22 -1.05 0.00 0.00 178.15 177.45 3hnn h TYR 67 N 0.07 -0.09 -0.72 0.16 3.20 -1.54 -2.08 116.97 115.96 3hnn h TYR 67 Ca 0.01 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 3hnn h TYR 67 Cb 0.28 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 3hnn h TYR 67 CO 0.00 0.17 0.41 -0.07 -1.64 0.00 0.00 178.16 177.03 3hnn h LEU 68 N -0.35 0.90 -0.41 2.82 3.38 -1.77 0.90 115.31 120.78 3hnn h LEU 68 Ca -0.01 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.92 3hnn h LEU 68 Cb 0.30 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3hnn h LEU 68 CO 0.02 0.73 0.13 -0.33 0.09 0.00 0.00 178.44 179.08 3hnn h GLU 69 N 1.00 0.28 -0.70 1.13 5.08 -1.44 0.90 114.58 120.82 3hnn h GLU 69 Ca 0.26 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 3hnn h GLU 69 Cb 0.02 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3hnn h GLU 69 CO -0.04 0.18 0.25 0.00 -1.00 0.00 0.00 179.01 178.40 3hnn h ALA 70 N 1.27 0.92 -0.34 3.43 0.00 -1.01 -2.48 119.26 121.05 3hnn h ALA 70 Ca 0.19 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3hnn h ALA 70 Cb 0.19 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3hnn h ALA 70 CO -0.21 0.57 -0.02 1.25 0.00 0.00 0.00 179.25 180.84 3hnn h LEU 71 N 1.02 0.60 -1.96 0.00 5.85 -0.35 -2.11 115.31 118.36 3hnn h LEU 71 Ca 0.23 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.65 3hnn h LEU 71 Cb 0.26 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3hnn h LEU 71 CO -0.01 0.78 0.10 1.56 -0.34 0.00 0.00 178.44 180.52 3hnn h GLN 72 N 0.41 0.05 0.00 1.25 4.20 -0.76 -0.65 115.11 119.60 3hnn h GLN 72 Ca 0.09 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 3hnn h GLN 72 Cb 0.49 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 3hnn h GLN 72 CO 0.02 0.03 -0.32 1.96 -0.67 0.00 0.00 178.83 179.86 3hnn h GLN 73 N 0.05 0.00 0.02 1.46 1.08 -0.92 -3.37 115.11 113.43 3hnn h GLN 73 Ca 0.06 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.89 3hnn h GLN 73 Cb 0.18 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.55 3hnn h GLN 73 CO -0.01 0.32 -2.34 0.25 -0.95 0.00 0.00 178.83 176.11 3hnn n THR 74 N -3.33 1.51 -4.13 -0.54 -2.24 -0.42 -5.01 114.28 100.12 3hnn n THR 74 Ca 0.01 -0.69 -0.09 0.00 -2.27 0.00 0.00 64.05 61.01 3hnn n THR 74 Cb 0.55 -1.14 -0.10 0.00 -2.10 0.00 0.00 70.33 67.54 3hnn n THR 74 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3hnn s VAL 75 N -2.52 0.46 -0.19 2.28 -7.23 -0.39 -5.11 120.40 107.70 3hnn s VAL 75 Ca -0.24 -1.83 -0.23 0.00 -1.81 0.00 0.00 61.98 57.87 3hnn s VAL 75 Cb 0.08 -1.54 -0.02 0.00 0.56 0.00 0.00 36.38 35.46 3hnn s VAL 75 CO 0.71 -0.91 0.75 0.21 -0.31 0.00 0.00 175.10 175.55 3hnn s ASN 76 N -2.90 6.82 0.37 4.85 2.47 -1.26 -4.40 114.94 120.89 3hnn s ASN 76 Ca 0.08 1.01 0.27 0.00 0.42 0.00 0.00 52.86 54.64 3hnn s ASN 76 Cb 0.06 -2.41 0.92 0.00 -1.45 0.00 0.00 41.25 38.37 3hnn s ASN 76 CO -0.07 -0.36 1.78 -0.07 -3.72 0.00 0.00 177.10 174.66 3hnn h LEU 77 N 8.39 0.00 -0.68 3.21 3.38 -1.91 -2.10 115.31 125.60 3hnn h LEU 77 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3hnn h LEU 77 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3hnn h LEU 77 CO 0.81 0.00 0.00 0.11 0.09 0.00 0.00 178.44 179.45 3hnn h LYS 78 N 0.00 0.00 -0.47 1.13 1.79 -1.92 -3.14 116.57 113.96 3hnn h LYS 78 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3hnn h LYS 78 Cb 0.62 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 3hnn h LYS 78 CO 0.00 0.00 0.00 0.36 -1.08 0.00 0.00 179.45 178.73 3hnn n LYS 79 N -2.83 3.47 -2.56 3.15 2.85 -0.79 -4.96 118.16 116.48 3hnn n LYS 79 Ca 0.03 -2.75 -0.42 0.00 -1.05 0.00 0.00 58.31 54.12 3hnn n LYS 79 Cb 0.38 -1.80 -0.03 0.00 -0.65 0.00 0.00 35.03 32.93 3hnn n LYS 79 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3hnn s LEU 80 N -2.08 4.37 -0.23 -5.58 0.20 -1.19 -4.25 118.68 109.92 3hnn s LEU 80 Ca 0.43 1.84 -0.09 0.00 0.69 0.00 0.00 54.13 57.01 3hnn s LEU 80 Cb 0.30 -3.57 -0.11 0.00 -0.43 0.00 0.00 46.19 42.38 3hnn s LEU 80 CO 0.17 -0.36 -0.28 0.47 -0.29 0.00 0.00 176.35 176.06 3hnn n ASP 81 N 3.90 1.80 -4.07 3.68 8.00 -0.37 -4.56 116.55 124.94 3hnn n ASP 81 Ca 0.07 0.19 -0.19 0.00 0.71 0.00 0.00 54.79 55.58 3hnn n ASP 81 Cb 0.49 -0.61 -0.14 0.00 -0.02 0.00 0.00 41.12 40.84 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 -2.43 0.97 -0.26 1.24 2.02 -0.90 -1.40 117.35 116.59 3hnn s TYR 82 Ca -0.32 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.12 3hnn s TYR 82 Cb 0.11 -0.60 0.04 0.00 -0.40 0.00 0.00 41.96 41.12 3hnn s TYR 82 CO 0.43 -0.01 -0.08 0.08 -1.57 0.00 0.00 175.55 174.40 3hnn s VAL 83 N -0.55 2.53 -0.20 0.71 1.01 -0.40 -0.89 120.40 122.60 3hnn s VAL 83 Ca 0.02 -1.32 -0.12 0.00 0.00 0.00 0.00 61.98 60.55 3hnn s VAL 83 Cb -0.06 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 3hnn s VAL 83 CO 0.00 0.09 0.23 -0.63 0.00 0.00 0.00 175.10 174.79 3hnn s ILE 84 N 1.22 5.33 -0.19 2.22 1.01 0.15 -0.54 121.20 130.40 3hnn s ILE 84 Ca -0.04 0.38 -0.06 0.00 0.00 0.00 0.00 60.65 60.93 3hnn s ILE 84 Cb -0.18 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 3hnn s ILE 84 CO -0.05 0.37 0.04 -0.76 0.00 0.00 0.00 174.94 174.53 3hnn s LEU 85 N 0.72 3.58 0.07 2.97 1.43 -0.29 -0.96 118.68 126.20 3hnn s LEU 85 Ca 0.12 -0.04 0.26 0.00 -1.03 0.00 0.00 54.13 53.45 3hnn s LEU 85 Cb -0.13 -1.90 0.78 0.00 0.03 0.00 0.00 46.19 44.97 3hnn s LEU 85 CO 0.03 0.13 1.64 0.61 0.23 0.00 0.00 176.35 178.99 3hnn n GLY 86 N 3.81 -1.46 3.77 -3.19 0.00 -1.26 -4.50 105.19 102.36 3hnn n GLY 86 Ca -0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.06 -0.03 -0.10 1.61 0.00 -1.26 -0.54 115.29 111.91 3hnn s HIS 87 Ca 0.11 -0.21 0.02 0.00 -3.00 0.00 0.00 55.06 51.98 3hnn s HIS 87 Cb 0.16 0.62 -0.01 0.00 -4.00 0.00 0.00 32.58 29.35 3hnn s HIS 87 CO 0.63 -0.62 -0.18 0.12 -1.00 0.00 0.00 174.74 173.68 3hnn s PHE 88 N -2.60 2.67 -0.02 0.38 2.19 -1.26 -5.01 117.98 114.32 3hnn s PHE 88 Ca 0.17 -0.75 -0.01 0.00 0.33 0.00 0.00 56.93 56.68 3hnn s PHE 88 Cb 0.00 -1.75 0.02 0.00 -1.31 0.00 0.00 43.02 39.98 3hnn s PHE 88 CO 0.01 -0.25 0.04 -1.12 1.83 0.00 0.00 175.22 175.73 3hnn s SER 89 N 0.18 0.01 0.54 6.13 0.01 -1.26 -5.02 113.70 114.29 3hnn s SER 89 Ca -0.11 0.07 0.30 0.00 1.31 0.00 0.00 55.95 57.52 3hnn s SER 89 Cb -0.16 0.01 1.47 0.00 0.21 0.00 0.00 66.02 67.55 3hnn s SER 89 CO 0.06 -0.07 1.91 1.55 0.41 0.00 0.00 173.24 177.10 3hnn h PRO 90 N 6.74 0.00 0.00 12.44 0.13 -2.00 -1.15 132.00 148.15 3hnn h PRO 90 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3hnn h PRO 90 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3hnn h PRO 90 CO 0.48 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.52 3hnn n ASN 91 N -4.24 0.00 0.02 1.44 2.04 -1.26 -1.79 115.26 111.47 3hnn n ASN 91 Ca 0.16 -0.30 0.11 0.00 -0.44 0.00 0.00 54.58 54.12 3hnn n ASN 91 Cb 0.87 -0.15 0.12 0.00 -2.53 0.00 0.00 39.78 38.09 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 -1.15 0.14 -0.03 -3.83 5.12 -0.43 -1.78 116.66 114.69 3hnn n ARG 92 Ca 0.12 0.01 -0.09 0.00 -1.93 0.00 0.00 57.85 55.97 3hnn n ARG 92 Cb 0.12 -1.56 -0.03 0.00 -1.16 0.00 0.00 32.46 29.83 3hnn n ARG 92 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 3hnn h ILE 93 N 0.00 0.77 -0.97 0.55 2.04 -1.47 -1.45 117.51 116.98 3hnn h ILE 93 Ca 0.00 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.04 3hnn h ILE 93 Cb 0.61 0.77 -0.09 0.00 -0.74 0.00 0.00 36.82 37.37 3hnn h ILE 93 CO 0.00 0.00 0.61 -0.65 0.00 0.00 0.00 178.15 178.11 3hnn h PRO 94 N -0.04 0.67 -0.44 2.37 0.11 -1.79 0.67 132.00 133.55 3hnn h PRO 94 Ca 0.09 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.08 3hnn h PRO 94 Cb 0.17 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 3hnn h PRO 94 CO -0.20 0.45 -0.03 1.15 -0.21 0.00 0.00 178.00 179.15 3hnn h THR 95 N 0.69 1.27 -0.46 -1.15 2.02 -1.64 -2.15 112.91 111.49 3hnn h THR 95 Ca 0.53 -1.10 0.01 0.00 0.77 0.00 0.00 66.41 66.62 3hnn h THR 95 Cb 0.90 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 3hnn h THR 95 CO -0.29 0.38 0.29 -0.26 0.37 0.00 0.00 175.52 176.00 3hnn h PHE 96 N 0.64 0.54 -0.28 3.16 0.04 -0.30 -1.87 116.94 118.87 3hnn h PHE 96 Ca 0.12 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.95 3hnn h PHE 96 Cb 0.54 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 38.47 3hnn h PHE 96 CO 0.04 0.32 0.04 -0.22 -0.60 0.00 0.00 178.31 177.90 3hnn h LYS 97 N 0.58 0.14 -0.80 1.51 3.64 -0.81 0.11 116.57 120.93 3hnn h LYS 97 Ca 0.18 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3hnn h LYS 97 Cb -0.03 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 3hnn h LYS 97 CO -0.06 0.09 0.44 0.00 -2.27 0.00 0.00 179.45 177.65 3hnn h ALA 98 N 1.21 1.02 -0.66 5.00 0.00 -1.25 -1.29 119.26 123.29 3hnn h ALA 98 Ca 0.13 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3hnn h ALA 98 Cb 0.14 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3hnn h ALA 98 CO -0.18 0.52 0.17 -0.07 0.00 0.00 0.00 179.25 179.69 3hnn h LEU 99 N 1.10 0.97 -0.81 0.00 3.38 -0.84 -1.99 115.31 117.11 3hnn h LEU 99 Ca 0.28 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 3hnn h LEU 99 Cb 0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3hnn h LEU 99 CO -0.05 0.92 0.24 -0.07 0.09 0.00 0.00 178.44 179.57 3hnn h LEU 100 N 0.98 1.05 -0.65 1.67 3.38 -0.27 0.15 115.31 121.64 3hnn h LEU 100 Ca 0.21 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3hnn h LEU 100 Cb 0.33 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3hnn h LEU 100 CO -0.00 0.97 -0.48 -0.33 0.09 0.00 0.00 178.44 178.68 3hnn h GLU 101 N 1.08 0.00 0.00 1.13 5.08 -1.04 -2.74 114.58 118.09 3hnn h GLU 101 Ca 0.24 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.44 3hnn h GLU 101 Cb 0.29 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3hnn h GLU 101 CO -0.01 0.48 -1.15 -0.07 -1.00 0.00 0.00 179.01 177.26 3hnn h LEU 102 N 0.00 0.00 -5.76 1.33 3.38 -1.08 -3.41 115.31 109.77 3hnn h LEU 102 Ca -0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.50 3hnn h LEU 102 Cb 1.09 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.53 3hnn h LEU 102 CO 0.06 0.58 -0.91 0.00 0.09 0.00 0.00 178.44 178.26 3hnn n ALA 103 N -2.35 1.35 0.36 1.53 0.00 0.51 -4.67 120.51 117.24 3hnn n ALA 103 Ca -0.06 -2.75 0.14 0.00 0.00 0.00 0.00 53.44 50.76 3hnn n ALA 103 Cb 0.82 -0.96 0.56 0.00 0.00 0.00 0.00 19.45 19.86 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 4.30 0.00 0.00 0.00 0.11 -1.70 -2.22 132.00 132.50 3hnn h PRO 104 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3hnn h PRO 104 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3hnn h PRO 104 CO 0.39 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.18 3hnn n GLN 105 N -2.51 0.37 -2.11 1.05 0.00 -1.26 -4.92 117.38 108.00 3hnn n GLN 105 Ca 0.02 0.07 -0.37 0.00 0.00 0.00 0.00 57.00 56.72 3hnn n GLN 105 Cb 0.25 -1.50 0.01 0.00 0.00 0.00 0.00 30.24 29.00 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 -2.36 2.80 -0.18 -0.39 -4.36 -0.83 -4.93 121.20 110.96 3hnn s ILE 106 Ca 0.21 0.56 -0.03 0.00 -0.26 0.00 0.00 60.65 61.14 3hnn s ILE 106 Cb 0.12 -3.27 -0.01 0.00 1.25 0.00 0.00 42.46 40.55 3hnn s ILE 106 CO 0.25 -0.05 -0.07 -0.89 0.24 0.00 0.00 174.94 174.42 3hnn s THR 107 N -1.54 3.36 0.20 8.37 2.01 -0.49 -4.41 115.64 123.14 3hnn s THR 107 Ca 0.70 -0.52 -0.30 0.00 0.31 0.00 0.00 61.69 61.87 3hnn s THR 107 Cb -0.31 -2.48 -0.08 0.00 0.01 0.00 0.00 72.50 69.64 3hnn s THR 107 CO 0.36 0.47 1.00 -0.36 -0.69 0.00 0.00 174.62 175.39 3hnn s PHE 108 N 0.91 3.82 -0.13 4.92 0.08 0.58 -1.28 117.98 126.87 3hnn s PHE 108 Ca -0.01 1.80 0.01 0.00 0.12 0.00 0.00 56.93 58.85 3hnn s PHE 108 Cb -0.15 -3.09 0.02 0.00 -0.57 0.00 0.00 43.02 39.23 3hnn s PHE 108 CO 0.01 0.07 -0.16 0.08 -0.10 0.00 0.00 175.22 175.11 3hnn s VAL 109 N -0.71 1.64 0.23 -0.44 1.01 0.30 0.15 120.40 122.58 3hnn s VAL 109 Ca 0.44 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.52 3hnn s VAL 109 Cb -0.27 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.64 3hnn s VAL 109 CO 0.33 0.47 0.63 0.00 0.00 0.00 0.00 175.10 176.53 3hnn s SER 111 N -2.87 5.89 0.23 0.00 0.15 -1.26 -4.15 113.70 111.69 3hnn s SER 111 Ca 0.09 1.97 -0.07 0.00 0.70 0.00 0.00 55.95 58.63 3hnn s SER 111 Cb -0.03 -2.56 0.40 0.00 -1.71 0.00 0.00 66.02 62.12 3hnn s SER 111 CO -0.00 -1.09 1.69 0.25 1.20 0.00 0.00 173.24 175.28 3hnn h LEU 112 N 0.98 -0.01 -2.42 3.45 5.85 -1.91 -1.39 115.31 119.86 3hnn h LEU 112 Ca -0.49 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3hnn h LEU 112 Cb 1.23 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.45 3hnn h LEU 112 CO 0.57 -0.03 0.00 -0.65 -0.34 0.00 0.00 178.44 178.00 3hnn h PRO 113 N 0.26 0.00 0.00 5.25 0.11 -1.93 -1.86 132.00 133.83 3hnn h PRO 113 Ca 0.38 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.35 3hnn h PRO 113 Cb 0.62 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.71 3hnn h PRO 113 CO -0.48 0.00 -0.68 0.00 -0.21 0.00 0.00 178.00 176.63 3hnn h ALA 114 N 2.00 0.60 -0.51 -0.75 0.00 -1.59 -3.39 119.26 115.62 3hnn h ALA 114 Ca 0.00 -0.59 0.10 0.00 0.00 0.00 0.00 54.91 54.42 3hnn h ALA 114 Cb 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.64 3hnn h ALA 114 CO 0.00 0.79 0.06 0.00 0.00 0.00 0.00 179.25 180.10 3hnn h ALA 115 N 1.38 0.54 -0.68 0.00 0.00 -1.39 -1.44 119.26 117.67 3hnn h ALA 115 Ca -0.02 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3hnn h ALA 115 Cb 1.49 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.45 3hnn h ALA 115 CO 0.08 -0.35 0.34 0.78 0.00 0.00 0.00 179.25 180.10 3hnn h GLY 116 N 0.18 1.04 1.44 0.00 0.00 -1.75 -1.97 103.07 102.02 3hnn h GLY 116 Ca 0.26 -0.50 -0.11 0.00 0.00 0.00 0.00 47.33 46.98 3hnn h GLY 116 CO -0.38 0.48 -0.27 -0.55 0.00 0.00 0.00 176.54 175.82 3hnn h ASP 117 N 0.94 0.65 -0.08 0.19 3.32 -1.64 -1.57 116.42 118.24 3hnn h ASP 117 Ca 0.24 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3hnn h ASP 117 Cb 0.09 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 3hnn h ASP 117 CO -0.03 0.89 0.04 -0.07 -1.72 0.00 0.00 179.24 178.35 3hnn h LEU 118 N 0.55 0.11 -0.38 1.55 3.38 -1.02 -1.54 115.31 117.97 3hnn h LEU 118 Ca 0.07 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3hnn h LEU 118 Cb 0.74 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3hnn h LEU 118 CO 0.06 0.21 0.24 0.03 0.09 0.00 0.00 178.44 179.06 3hnn h ARG 119 N -0.00 0.46 0.00 1.13 3.08 -1.28 -2.17 114.38 115.60 3hnn h ARG 119 Ca 0.03 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3hnn h ARG 119 Cb 0.13 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 3hnn h ARG 119 CO -0.00 0.31 -0.14 0.00 -1.07 0.00 0.00 179.97 179.06 3hnn h ALA 120 N 1.16 1.50 0.00 0.04 0.00 -1.22 -1.99 119.26 118.74 3hnn h ALA 120 Ca 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hnn h ALA 120 Cb -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3hnn h ALA 120 CO -0.05 0.18 -0.06 0.00 0.00 0.00 0.00 179.25 179.31 3hnn h ALA 121 N 1.86 0.97 -2.17 0.00 0.00 -0.68 -3.36 119.26 115.88 3hnn h ALA 121 Ca -0.00 -0.02 -0.59 0.00 0.00 0.00 0.00 54.91 54.29 3hnn h ALA 121 Cb 0.30 -0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.67 3hnn h ALA 121 CO 0.02 0.03 -0.68 1.19 0.00 0.00 0.00 179.25 179.81 3hnn n PHE 122 N -3.09 3.07 -0.25 0.00 3.72 -0.75 -4.96 117.46 115.20 3hnn n PHE 122 Ca 0.04 -4.05 -0.06 0.00 -0.05 0.00 0.00 57.45 53.32 3hnn n PHE 122 Cb 0.54 -0.52 0.07 0.00 -0.94 0.00 0.00 39.48 38.63 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 3.99 1.11 0.11 -1.08 0.13 -1.71 -2.82 132.00 131.73 3hnn h PRO 123 Ca 0.17 -0.25 -0.28 0.00 -0.87 0.00 0.00 66.00 64.77 3hnn h PRO 123 Cb 0.68 -0.15 0.02 0.00 0.13 0.00 0.00 31.00 31.68 3hnn h PRO 123 CO 0.78 0.97 -1.21 -0.44 -0.23 0.00 0.00 178.00 177.87 3hnn h ASP 124 N 1.06 0.72 -4.19 1.44 3.32 -1.92 -3.46 116.42 113.38 3hnn h ASP 124 Ca 0.22 -0.67 -0.49 0.00 0.02 0.00 0.00 57.03 56.11 3hnn h ASP 124 Cb 0.34 -0.23 0.06 0.00 0.22 0.00 0.00 39.33 39.73 3hnn h ASP 124 CO -0.00 1.49 0.38 -1.81 -1.72 0.00 0.00 179.24 177.58 3hnn s ASP 125 N -7.32 5.77 -0.53 6.45 1.11 -1.06 -5.01 116.67 116.09 3hnn s ASP 125 Ca -0.07 1.83 -0.02 0.00 0.18 0.00 0.00 52.55 54.46 3hnn s ASP 125 Cb 0.06 -2.53 0.14 0.00 1.07 0.00 0.00 42.92 41.66 3hnn s ASP 125 CO 0.91 -1.17 0.32 0.21 1.18 0.00 0.00 175.17 176.62 3hnn s ASN 126 N -2.76 5.14 0.37 0.27 3.84 -1.26 -4.92 114.94 115.63 3hnn s ASN 126 Ca 0.64 -2.55 -0.24 0.00 0.21 0.00 0.00 52.86 50.92 3hnn s ASN 126 Cb -0.16 -1.82 -0.10 0.00 -0.55 0.00 0.00 41.25 38.63 3hnn s ASN 126 CO 0.37 -0.42 1.00 -0.76 -2.79 0.00 0.00 177.10 174.49 3hnn s LEU 127 N 0.38 4.19 -0.38 3.21 1.43 -1.26 -5.02 118.68 121.23 3hnn s LEU 127 Ca 0.14 1.92 -0.23 0.00 -1.03 0.00 0.00 54.13 54.92 3hnn s LEU 127 Cb -0.22 -4.16 0.01 0.00 0.03 0.00 0.00 46.19 41.85 3hnn s LEU 127 CO -0.04 -0.31 0.79 0.20 0.23 0.00 0.00 176.35 177.23 3hnn s ASN 128 N -1.66 6.53 -0.04 2.29 0.01 -1.26 -5.05 114.94 115.75 3hnn s ASN 128 Ca 0.55 0.27 0.04 0.00 -0.71 0.00 0.00 52.86 53.01 3hnn s ASN 128 Cb -0.19 -2.40 0.00 0.00 0.41 0.00 0.00 41.25 39.07 3hnn s ASN 128 CO 0.24 -0.78 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.27 3hnn s ILE 129 N 3.16 1.30 -0.52 0.60 1.01 -1.26 -0.31 121.20 125.18 3hnn s ILE 129 Ca 0.31 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.37 3hnn s ILE 129 Cb -0.13 -1.13 0.13 0.00 0.01 0.00 0.00 42.46 41.34 3hnn s ILE 129 CO 0.18 0.38 0.26 -0.22 0.00 0.00 0.00 174.94 175.54 3hnn s LEU 130 N 0.16 4.22 0.00 2.97 2.96 0.40 -4.92 118.68 124.46 3hnn s LEU 130 Ca -0.05 -3.00 0.00 0.00 -0.22 0.00 0.00 54.13 50.86 3hnn s LEU 130 Cb -0.12 -1.61 0.00 0.00 0.50 0.00 0.00 46.19 44.97 3hnn s LEU 130 CO 0.02 -0.23 0.00 -2.65 -1.32 0.00 0.00 176.35 172.17 3hnn n PRO 131 N 3.13 1.03 0.00 0.98 -0.02 -1.26 -2.71 135.00 136.16 3hnn n PRO 131 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3hnn n PRO 131 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.80 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 0.00 0.00 0.00 -0.52 1.74 -1.26 -4.90 116.66 111.72 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 1.22 0.14 -0.13 0.00 -1.26 -4.82 105.19 100.34 3hnn n GLY 134 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 0.39 -6.87 1.61 3.64 -2.01 -3.44 116.57 109.89 3hnn h LYS 135 Ca 0.00 -0.66 -0.47 0.00 -1.27 0.00 0.00 60.65 58.25 3hnn h LYS 135 Cb 0.00 0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3hnn h LYS 135 CO 0.00 1.32 0.27 -1.83 -2.27 0.00 0.00 179.45 176.94 3hnn s GLU 136 N -2.53 4.33 0.38 1.90 1.03 -1.26 -5.04 118.70 117.51 3hnn s GLU 136 Ca -0.15 1.09 0.08 0.00 0.03 0.00 0.00 54.97 56.02 3hnn s GLU 136 Cb 0.04 -2.55 -0.05 0.00 -0.80 0.00 0.00 34.13 30.77 3hnn s GLU 136 CO 0.86 0.18 0.15 0.95 -1.33 0.00 0.00 175.26 176.06 3hnn s THR 137 N -1.85 2.55 -0.17 1.83 -4.23 -1.26 -4.43 115.64 108.07 3hnn s THR 137 Ca 0.54 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.32 3hnn s THR 137 Cb -0.14 -2.96 0.03 0.00 1.34 0.00 0.00 72.50 70.78 3hnn s THR 137 CO 0.19 -0.08 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.86 3hnn s LEU 138 N -3.87 1.93 -0.30 4.79 0.20 -0.71 -4.97 118.68 115.76 3hnn s LEU 138 Ca 0.39 -0.70 -0.20 0.00 0.69 0.00 0.00 54.13 54.32 3hnn s LEU 138 Cb 0.01 -1.15 -0.01 0.00 -0.43 0.00 0.00 46.19 44.62 3hnn s LEU 138 CO 0.22 -0.12 0.62 -0.62 -0.29 0.00 0.00 176.35 176.16 3hnn s ASP 139 N 1.48 6.49 0.00 3.68 -1.08 -1.26 -1.20 116.67 124.79 3hnn s ASP 139 Ca 0.01 0.44 0.24 0.00 -0.52 0.00 0.00 52.55 52.73 3hnn s ASP 139 Cb -0.15 -2.33 0.34 0.00 -1.46 0.00 0.00 42.92 39.33 3hnn s ASP 139 CO -0.09 -0.46 1.30 0.18 0.52 0.00 0.00 175.17 176.62 3hnn n LEU 140 N 5.84 0.60 0.00 -1.34 4.77 -0.34 -4.88 117.00 121.65 3hnn n LEU 140 Ca -0.01 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3hnn n LEU 140 Cb 0.49 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3hnn n LEU 140 CO 0.45 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 3hnn n GLY 141 N 1.49 0.98 2.51 -0.72 0.00 -1.26 0.80 105.19 109.00 3hnn n GLY 141 Ca 0.05 -1.88 -0.21 0.00 0.00 0.00 0.00 46.02 43.98 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 1.25 -1.55 -0.07 1.61 5.02 -1.26 -1.53 118.16 121.63 3hnn n LYS 142 Ca 0.00 1.13 0.00 0.00 -2.02 0.00 0.00 58.31 57.42 3hnn n LYS 142 Cb 0.00 -5.62 0.00 0.00 -0.02 0.00 0.00 35.03 29.39 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 -0.62 0.64 2.80 0.72 0.00 -1.26 -4.98 105.19 102.48 3hnn n GLY 143 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 3.23 -3.00 1.61 8.25 -0.58 -3.43 115.22 119.30 3hnn n HIS 144 Ca 0.00 -2.88 -0.41 0.00 -0.26 0.00 0.00 57.72 54.17 3hnn n HIS 144 Cb 0.00 -2.25 -0.05 0.00 1.12 0.00 0.00 29.99 28.81 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 1.79 4.94 -0.25 1.59 1.01 -1.26 -1.20 120.40 127.02 3hnn s VAL 145 Ca 0.43 1.40 -0.12 0.00 0.00 0.00 0.00 61.98 63.69 3hnn s VAL 145 Cb 0.12 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 3hnn s VAL 145 CO -0.04 0.04 0.24 -0.76 0.00 0.00 0.00 175.10 174.58 3hnn s LEU 146 N 2.22 4.09 -0.08 3.92 1.02 -0.34 -1.27 118.68 128.23 3hnn s LEU 146 Ca 0.33 0.19 -0.10 0.00 0.02 0.00 0.00 54.13 54.57 3hnn s LEU 146 Cb -0.16 -2.24 -0.05 0.00 0.02 0.00 0.00 46.19 43.77 3hnn s LEU 146 CO 0.10 -0.03 0.24 -0.54 0.02 0.00 0.00 176.35 176.15 3hnn s LYS 147 N 1.42 3.67 -0.14 1.70 1.02 0.20 -1.74 119.74 125.87 3hnn s LYS 147 Ca 0.11 0.06 -0.00 0.00 0.02 0.00 0.00 55.97 56.16 3hnn s LYS 147 Cb -0.15 -3.22 -0.01 0.00 -0.52 0.00 0.00 37.83 33.93 3hnn s LYS 147 CO 0.07 0.70 -0.13 -0.06 -0.92 0.00 0.00 175.35 175.02 3hnn s PHE 148 N -0.91 2.82 -0.40 3.18 0.08 -1.26 -0.44 117.98 121.05 3hnn s PHE 148 Ca 0.18 -0.69 0.02 0.00 0.12 0.00 0.00 56.93 56.56 3hnn s PHE 148 Cb -0.14 -1.87 0.12 0.00 -0.57 0.00 0.00 43.02 40.57 3hnn s PHE 148 CO 0.07 -0.25 0.17 -0.51 -0.10 0.00 0.00 175.22 174.60 3hnn s LEU 149 N 0.45 3.18 0.30 -0.37 1.02 0.24 -4.37 118.68 119.13 3hnn s LEU 149 Ca -0.09 -2.34 -0.29 0.00 0.02 0.00 0.00 54.13 51.42 3hnn s LEU 149 Cb -0.16 -1.18 -0.10 0.00 0.02 0.00 0.00 46.19 44.76 3hnn s LEU 149 CO 0.05 -0.32 1.43 -2.84 0.02 0.00 0.00 176.35 174.69 3hnn s PRO 150 N 0.69 4.24 -0.52 1.29 0.02 -1.26 -1.37 135.00 138.09 3hnn s PRO 150 Ca 0.14 2.36 0.07 0.00 0.02 0.00 0.00 61.00 63.60 3hnn s PRO 150 Cb -0.22 -3.06 0.27 0.00 0.02 0.00 0.00 34.50 31.51 3hnn s PRO 150 CO -0.08 -0.41 0.68 0.44 -0.33 0.00 0.00 177.00 177.31 3hnn n ILE 151 N 1.56 1.09 -1.99 2.83 -5.35 0.21 -4.91 119.36 112.81 3hnn n ILE 151 Ca 0.04 -4.76 -0.41 0.00 -0.27 0.00 0.00 62.75 57.35 3hnn n ILE 151 Cb 0.40 -1.82 -0.02 0.00 -1.74 0.00 0.00 39.64 36.46 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 -2.10 4.25 0.15 6.28 0.04 -1.25 -4.23 135.00 138.14 3hnn s PRO 152 Ca 0.39 2.34 -0.04 0.00 0.04 0.00 0.00 61.00 63.73 3hnn s PRO 152 Cb 0.19 -3.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.61 3hnn s PRO 152 CO -0.07 -0.43 0.15 -1.54 0.04 0.00 0.00 177.00 175.15 3hnn s SER 153 N 0.29 0.20 0.33 6.66 1.04 -0.83 -4.95 113.70 116.43 3hnn s SER 153 Ca 0.59 -1.13 0.01 0.00 0.48 0.00 0.00 55.95 55.89 3hnn s SER 153 Cb -0.42 0.36 0.55 0.00 0.10 0.00 0.00 66.02 66.60 3hnn s SER 153 CO 0.45 -0.81 1.97 -0.65 0.98 0.00 0.00 173.24 175.19 3hnn h PRO 154 N 2.72 0.89 -0.10 4.02 0.11 -1.96 -0.13 132.00 137.55 3hnn h PRO 154 Ca -0.34 -0.07 -0.20 0.00 0.11 0.00 0.00 66.00 65.50 3hnn h PRO 154 Cb 1.22 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3hnn h PRO 154 CO 0.54 0.63 -0.76 -0.09 -0.21 0.00 0.00 178.00 178.11 3hnn h ARG 155 N 0.91 0.54 -2.70 1.05 9.65 -2.00 -3.39 114.38 118.45 3hnn h ARG 155 Ca 0.24 -0.45 -0.60 0.00 -1.10 0.00 0.00 59.98 58.07 3hnn h ARG 155 Cb -0.04 0.10 -0.40 0.00 -1.39 0.00 0.00 29.97 28.24 3hnn h ARG 155 CO -0.05 1.08 -0.79 -1.58 2.80 0.00 0.00 179.97 181.43 3hnn s TRP 156 N -3.64 2.18 0.50 2.20 0.51 -0.87 -4.98 118.94 114.84 3hnn s TRP 156 Ca -0.07 -2.76 0.22 0.00 -2.12 0.00 0.00 56.10 51.37 3hnn s TRP 156 Cb 0.10 -1.72 1.28 0.00 -0.81 0.00 0.00 33.47 32.31 3hnn s TRP 156 CO 0.86 -0.71 1.98 -1.35 -0.51 0.00 0.00 176.95 177.22 3hnn h PRO 157 N 5.59 0.14 -0.59 4.98 0.11 -1.24 -0.39 132.00 140.60 3hnn h PRO 157 Ca 0.20 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.27 3hnn h PRO 157 Cb 0.84 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 3hnn h PRO 157 CO 0.52 0.09 0.04 0.00 -0.21 0.00 0.00 178.00 178.45 3hnn n ALA 158 N -2.60 3.97 -1.73 -0.75 0.00 -1.26 -4.33 120.51 113.81 3hnn n ALA 158 Ca 0.11 -2.03 -0.42 0.00 0.00 0.00 0.00 53.44 51.10 3hnn n ALA 158 Cb 0.56 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.87 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 0.42 1.33 3.00 0.00 0.00 -0.22 -4.03 105.19 105.69 3hnn n GLY 159 Ca 0.30 0.51 -0.13 0.00 0.00 0.00 0.00 46.02 46.70 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 0.02 0.82 0.08 0.99 2.96 0.30 -0.62 118.68 123.22 3hnn s LEU 160 Ca 0.68 0.38 0.03 0.00 -0.22 0.00 0.00 54.13 54.99 3hnn s LEU 160 Cb -0.52 0.54 -0.04 0.00 0.50 0.00 0.00 46.19 46.67 3hnn s LEU 160 CO 0.44 -0.13 0.09 0.00 -1.32 0.00 0.00 176.35 175.44 3hnn s THR 162 N -1.39 1.12 -0.10 0.00 2.01 -0.98 -0.59 115.64 115.71 3hnn s THR 162 Ca 0.30 -0.55 0.03 0.00 0.31 0.00 0.00 61.69 61.78 3hnn s THR 162 Cb -0.12 -0.97 0.01 0.00 0.01 0.00 0.00 72.50 71.42 3hnn s THR 162 CO 0.22 0.33 -0.18 -0.47 -0.69 0.00 0.00 174.62 173.83 3hnn s TYR 163 N 0.11 2.13 -0.35 4.92 5.04 0.42 -0.50 117.35 129.11 3hnn s TYR 163 Ca -0.03 -0.92 -0.14 0.00 -2.44 0.00 0.00 57.07 53.53 3hnn s TYR 163 Cb -0.10 -1.48 -0.01 0.00 0.35 0.00 0.00 41.96 40.72 3hnn s TYR 163 CO 0.01 -0.43 0.30 0.34 -1.34 0.00 0.00 175.55 174.43 3hnn s ASP 164 N 0.67 6.11 0.34 4.32 -1.08 -0.34 -0.63 116.67 126.05 3hnn s ASP 164 Ca -0.13 -0.44 0.03 0.00 -0.52 0.00 0.00 52.55 51.49 3hnn s ASP 164 Cb -0.16 -2.16 0.59 0.00 -1.46 0.00 0.00 42.92 39.73 3hnn s ASP 164 CO 0.03 -0.31 1.93 0.58 0.52 0.00 0.00 175.17 177.92 3hnn h VAL 165 N 5.54 1.18 -0.20 1.11 2.07 -1.45 0.27 116.25 124.76 3hnn h VAL 165 Ca -0.30 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 3hnn h VAL 165 Cb 1.15 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3hnn h VAL 165 CO 0.67 0.22 -0.00 -0.61 0.02 0.00 0.00 177.57 177.87 3hnn h GLN 166 N 0.71 0.36 0.00 1.57 5.75 -1.79 -3.29 115.11 118.42 3hnn h GLN 166 Ca 0.17 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 3hnn h GLN 166 Cb 0.13 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.64 3hnn h GLN 166 CO -0.02 0.56 -1.32 0.25 -2.65 0.00 0.00 178.83 175.66 3hnn n THR 167 N -4.68 0.05 -2.46 2.39 -2.24 -1.12 -4.96 114.28 101.25 3hnn n THR 167 Ca -0.04 -0.22 -0.18 0.00 -2.27 0.00 0.00 64.05 61.33 3hnn n THR 167 Cb 0.23 0.47 -0.00 0.00 -2.10 0.00 0.00 70.33 68.93 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 -1.86 -2.03 -3.21 -0.78 6.02 0.93 -4.69 117.38 111.76 3hnn n GLN 168 Ca 0.01 0.85 -0.39 0.00 -0.01 0.00 0.00 57.00 57.47 3hnn n GLN 168 Cb 0.43 -5.37 -0.06 0.00 1.02 0.00 0.00 30.24 26.26 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 -2.94 5.13 -0.26 5.09 1.01 -1.22 -0.58 121.20 127.44 3hnn s ILE 169 Ca 0.06 1.13 -0.09 0.00 0.00 0.00 0.00 60.65 61.74 3hnn s ILE 169 Cb -0.02 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 3hnn s ILE 169 CO 0.07 0.28 0.13 -0.22 0.00 0.00 0.00 174.94 175.20 3hnn s LEU 170 N 0.79 3.77 -0.44 2.97 2.96 -0.62 -1.20 118.68 126.90 3hnn s LEU 170 Ca 0.30 -0.08 -0.23 0.00 -0.22 0.00 0.00 54.13 53.90 3hnn s LEU 170 Cb -0.16 -2.03 0.02 0.00 0.50 0.00 0.00 46.19 44.53 3hnn s LEU 170 CO 0.13 -0.02 0.79 -0.31 -1.32 0.00 0.00 176.35 175.62 3hnn s TYR 171 N 1.58 3.00 -1.07 5.38 2.02 0.35 -0.25 117.35 128.36 3hnn s TYR 171 Ca 0.07 0.22 0.10 0.00 -0.37 0.00 0.00 57.07 57.09 3hnn s TYR 171 Cb -0.15 -3.65 0.03 0.00 -0.40 0.00 0.00 41.96 37.79 3hnn s TYR 171 CO 0.07 -0.96 0.71 0.25 -1.57 0.00 0.00 175.55 174.04 3hnn n THR 172 N 6.11 0.00 0.00 -0.71 -2.24 -1.00 -2.32 114.28 114.13 3hnn n THR 172 Ca 0.03 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 3hnn n THR 172 Cb 0.48 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 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 0.04 0.00 0.22 3.42 2.03 -1.26 -1.18 116.55 119.82 3hnn n ASP 173 Ca 0.05 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.44 3hnn n ASP 173 Cb 0.23 0.00 0.50 0.00 -0.72 0.00 0.00 41.12 41.13 3hnn n ASP 173 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3hnn h LYS 174 N 0.00 0.00 -6.81 -0.67 1.79 -1.94 0.39 116.57 109.33 3hnn h LYS 174 Ca 0.00 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.98 3hnn h LYS 174 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3hnn h LYS 174 CO 0.00 0.25 0.41 0.42 -1.08 0.00 0.00 179.45 179.45 3hnn s ILE 175 N -3.90 3.78 0.00 1.86 -1.09 -0.33 -3.98 121.20 117.55 3hnn s ILE 175 Ca -0.01 1.72 0.00 0.00 -2.23 0.00 0.00 60.65 60.13 3hnn s ILE 175 Cb 0.12 -4.07 0.00 0.00 -1.58 0.00 0.00 42.46 36.93 3hnn s ILE 175 CO 0.65 0.36 0.00 0.49 -1.23 0.00 0.00 174.94 175.20 3hnn n PHE 176 N 1.12 0.00 -1.78 3.97 3.72 -1.26 -4.69 117.46 118.53 3hnn n PHE 176 Ca -0.01 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.20 3hnn n PHE 176 Cb 0.47 -0.32 0.13 0.00 -0.94 0.00 0.00 39.48 38.81 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 -2.35 -0.99 3.55 1.37 0.00 -1.26 -4.94 105.19 100.58 3hnn n GLY 177 Ca 0.00 -1.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 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 -3.80 -1.60 -1.08 4.61 0.00 -0.60 -4.52 121.76 114.77 3hnn s ALA 178 Ca 0.50 1.83 -0.17 0.00 0.00 0.00 0.00 51.96 54.12 3hnn s ALA 178 Cb -0.02 -1.06 0.14 0.00 0.00 0.00 0.00 23.12 22.18 3hnn s ALA 178 CO 0.34 -0.31 1.32 -1.01 0.00 0.00 0.00 175.76 176.11 3hnn s HIS 179 N 0.36 3.25 -0.15 0.00 3.76 -1.26 -2.52 115.29 118.73 3hnn s HIS 179 Ca -0.00 -1.73 -0.08 0.00 -0.15 0.00 0.00 55.06 53.10 3hnn s HIS 179 Cb -0.05 -4.34 0.05 0.00 1.11 0.00 0.00 32.58 29.35 3hnn s HIS 179 CO 0.01 -1.49 0.35 -1.50 -0.85 0.00 0.00 174.74 171.26 3hnn s ILE 180 N 2.37 -0.03 -0.22 0.60 2.07 -1.12 -4.51 121.20 120.37 3hnn s ILE 180 Ca 0.39 0.11 -0.09 0.00 -1.41 0.00 0.00 60.65 59.65 3hnn s ILE 180 Cb -0.03 -0.53 -0.05 0.00 0.13 0.00 0.00 42.46 41.99 3hnn s ILE 180 CO -0.04 0.04 0.12 0.00 -1.91 0.00 0.00 174.94 173.15 3hnn s GLY 182 N 0.78 0.69 0.13 0.00 0.00 -1.26 -4.89 107.32 102.78 3hnn s GLY 182 Ca 0.06 -0.96 0.04 0.00 0.00 0.00 0.00 44.72 43.87 3hnn s GLY 182 CO 0.02 -0.55 1.30 -0.55 0.00 0.00 0.00 173.10 173.33 3hnn h ASP 183 N 2.07 0.13 -2.96 1.64 3.32 -2.03 -3.45 116.42 115.14 3hnn h ASP 183 Ca -0.28 -0.12 -0.55 0.00 0.02 0.00 0.00 57.03 56.09 3hnn h ASP 183 Cb 1.25 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 3hnn h ASP 183 CO 0.37 1.03 0.81 -1.81 -1.72 0.00 0.00 179.24 177.92 3hnn s ASP 184 N -6.84 6.93 0.14 6.45 1.01 -1.26 -4.93 116.67 118.17 3hnn s ASP 184 Ca -0.01 1.95 0.07 0.00 0.71 0.00 0.00 52.55 55.28 3hnn s ASP 184 Cb 0.10 -2.56 -0.12 0.00 1.01 0.00 0.00 42.92 41.35 3hnn s ASP 184 CO 0.83 -0.69 1.33 0.58 0.21 0.00 0.00 175.17 177.43 3hnn h VAL 185 N 5.06 1.66 -4.06 -1.27 2.07 -1.97 -3.44 116.25 114.31 3hnn h VAL 185 Ca -0.35 -3.19 -0.69 0.00 0.82 0.00 0.00 66.70 63.29 3hnn h VAL 185 Cb 1.16 2.73 -0.23 0.00 -1.52 0.00 0.00 31.29 33.43 3hnn h VAL 185 CO 0.91 0.91 -0.80 -0.36 0.02 0.00 0.00 177.57 178.24 3hnn s PHE 186 N -2.86 2.57 -0.48 1.57 0.08 -1.26 -0.44 117.98 117.16 3hnn s PHE 186 Ca 0.00 -0.25 -0.19 0.00 0.12 0.00 0.00 56.93 56.62 3hnn s PHE 186 Cb 0.10 -1.51 0.05 0.00 -0.57 0.00 0.00 43.02 41.09 3hnn s PHE 186 CO 0.81 0.20 0.58 0.34 -0.10 0.00 0.00 175.22 177.05 3hnn s ASP 187 N -1.15 6.23 -0.00 1.36 2.15 0.24 -4.81 116.67 120.69 3hnn s ASP 187 Ca 0.13 -0.81 0.01 0.00 0.43 0.00 0.00 52.55 52.31 3hnn s ASP 187 Cb -0.10 -2.27 -0.01 0.00 -0.30 0.00 0.00 42.92 40.23 3hnn s ASP 187 CO 0.03 -0.80 0.04 0.47 -0.17 0.00 0.00 175.17 174.75 3hnn n ASP 188 N 6.01 0.70 -3.39 -0.34 8.00 -1.26 -1.74 116.55 124.51 3hnn n ASP 188 Ca -0.06 -0.45 -0.27 0.00 0.71 0.00 0.00 54.79 54.72 3hnn n ASP 188 Cb 0.46 1.01 -0.10 0.00 -0.02 0.00 0.00 41.12 42.47 3hnn n ASP 188 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3hnn n ASN 189 N -1.10 -0.24 0.33 -2.24 2.85 -1.26 -4.41 115.26 109.19 3hnn n ASN 189 Ca 0.00 -2.45 0.20 0.00 -0.11 0.00 0.00 54.58 52.22 3hnn n ASN 189 Cb 0.02 -0.57 1.08 0.00 1.24 0.00 0.00 39.78 41.55 3hnn n ASN 189 CO 0.00 0.00 0.00 4.11 -2.11 0.00 0.00 177.26 179.26 3hnn h TRP 190 N 5.44 0.00 -0.88 1.20 5.08 -1.93 -0.28 115.95 124.58 3hnn h TRP 190 Ca 0.24 0.00 0.32 0.00 1.08 0.00 0.00 58.89 60.53 3hnn h TRP 190 Cb 0.90 0.00 -0.16 0.00 -3.00 0.00 0.00 29.16 26.90 3hnn h TRP 190 CO 0.29 0.00 0.29 0.39 -1.28 0.00 0.00 178.44 178.13 3hnn n GLU 191 N -3.13 -0.06 0.17 0.12 4.71 -1.26 0.32 120.64 121.51 3hnn n GLU 191 Ca -0.02 1.25 0.04 0.00 -0.01 0.00 0.00 57.16 58.42 3hnn n GLU 191 Cb 0.17 -2.14 0.25 0.00 -1.01 0.00 0.00 31.44 28.71 3hnn n GLU 191 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3hnn h SER 192 N 0.00 0.00 -0.01 1.62 4.64 -1.49 -3.34 113.55 114.97 3hnn h SER 192 Ca 0.66 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.98 3hnn h SER 192 Cb 1.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 3hnn h SER 192 CO -0.73 0.44 -0.23 0.49 -0.87 0.00 0.00 176.83 175.93 3hnn n PHE 193 N -3.48 0.00 -0.33 4.77 3.72 0.95 -4.76 117.46 118.34 3hnn n PHE 193 Ca 0.00 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.45 3hnn n PHE 193 Cb 0.58 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 39.32 3hnn n PHE 193 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3hnn h LYS 194 N 1.47 0.86 -0.56 -1.08 1.57 0.61 -0.31 116.57 119.13 3hnn h LYS 194 Ca 0.00 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3hnn h LYS 194 Cb 0.43 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3hnn h LYS 194 CO 0.00 0.57 0.24 1.49 -0.57 0.00 0.00 179.45 181.18 3hnn h GLU 195 N 0.88 0.82 -0.35 3.15 4.81 -1.85 -0.78 114.58 121.26 3hnn h GLU 195 Ca 0.45 -0.14 -0.16 0.00 -0.13 0.00 0.00 59.36 59.38 3hnn h GLU 195 Cb 0.45 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 3hnn h GLU 195 CO -0.26 0.70 -0.42 -0.44 -0.73 0.00 0.00 179.01 177.85 3hnn h ASP 196 N 0.76 0.98 -0.63 1.04 3.32 -1.66 -1.34 116.42 118.89 3hnn h ASP 196 Ca 0.19 -0.49 -0.05 0.00 0.02 0.00 0.00 57.03 56.70 3hnn h ASP 196 Cb 0.17 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3hnn h ASP 196 CO -0.02 1.27 0.20 1.56 -1.72 0.00 0.00 179.24 180.53 3hnn h GLN 197 N 0.71 1.00 -0.39 3.56 4.20 -0.96 -0.83 115.11 122.40 3hnn h GLN 197 Ca 0.05 -0.20 -0.11 0.00 0.06 0.00 0.00 58.65 58.44 3hnn h GLN 197 Cb 1.02 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 3hnn h GLN 197 CO 0.10 0.86 -0.20 -0.09 -0.67 0.00 0.00 178.83 178.84 3hnn h ARG 198 N 0.97 0.82 -0.54 1.46 2.43 -1.07 -1.02 114.38 117.44 3hnn h ARG 198 Ca 0.21 -0.36 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 3hnn h ARG 198 Cb 0.28 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 3hnn h ARG 198 CO -0.01 0.99 0.24 -0.92 -1.51 0.00 0.00 179.97 178.77 3hnn h TYR 199 N 0.62 0.79 -0.39 2.20 3.20 -1.10 0.16 116.97 122.46 3hnn h TYR 199 Ca 0.09 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3hnn h TYR 199 Cb 0.75 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 3hnn h TYR 199 CO 0.06 0.63 0.25 -0.92 -1.64 0.00 0.00 178.16 176.53 3hnn h TYR 200 N 0.72 0.50 -0.35 -3.82 5.03 -1.09 0.12 116.97 118.08 3hnn h TYR 200 Ca 0.18 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.53 3hnn h TYR 200 Cb 0.15 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.23 3hnn h TYR 200 CO 0.00 0.33 0.15 0.35 -1.32 0.00 0.00 178.16 177.66 3hnn h PHE 201 N 0.52 0.27 -0.35 -3.82 3.04 -0.75 -1.20 116.94 114.65 3hnn h PHE 201 Ca 0.14 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.06 3hnn h PHE 201 Cb -0.04 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.38 3hnn h PHE 201 CO -0.04 0.13 0.01 -0.91 -2.02 0.00 0.00 178.31 175.47 3hnn h ASN 202 N 0.31 0.50 -0.03 0.41 -0.26 -0.32 0.88 115.58 117.07 3hnn h ASN 202 Ca 0.15 -0.09 -0.06 0.00 -0.56 0.00 0.00 56.30 55.74 3hnn h ASN 202 Cb 0.10 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.23 3hnn h ASN 202 CO -0.13 0.57 -0.23 0.00 -1.06 0.00 0.00 177.43 176.57 3hnn n LEU 204 N -4.52 2.98 0.00 0.00 4.77 -0.48 -4.83 117.00 114.91 3hnn n LEU 204 Ca -0.09 -2.51 0.00 0.00 -0.03 0.00 0.00 56.01 53.38 3hnn n LEU 204 Cb 0.47 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3hnn n LEU 204 CO 0.39 0.67 0.00 0.00 -1.33 0.00 0.00 177.39 177.12 3hnn n ALA 206 N -0.32 0.00 0.13 -1.18 0.00 0.30 -4.80 120.51 114.63 3hnn n ALA 206 Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.64 3hnn n ALA 206 Cb 0.58 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.39 3hnn n ALA 206 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hnn n PRO 207 N 0.00 0.09 -1.32 0.00 -0.02 -1.26 -1.97 135.00 130.51 3hnn n PRO 207 Ca 0.00 0.56 -0.08 0.00 -2.02 0.00 0.00 63.50 61.96 3hnn n PRO 207 Cb 0.00 -1.77 0.11 0.00 -0.02 0.00 0.00 33.50 31.82 3hnn n PRO 207 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3hnn n HIS 208 N -1.95 1.32 -0.29 6.00 8.25 -1.26 -4.90 115.22 122.39 3hnn n HIS 208 Ca -0.01 -1.83 0.10 0.00 -0.26 0.00 0.00 57.72 55.72 3hnn n HIS 208 Cb 0.04 -0.29 0.33 0.00 1.12 0.00 0.00 29.99 31.18 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 1.58 1.71 -0.07 -1.41 0.00 -1.74 0.95 119.26 120.28 3hnn h ALA 209 Ca 0.17 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3hnn h ALA 209 Cb 1.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3hnn h ALA 209 CO 0.36 0.06 -0.27 -0.84 0.00 0.00 0.00 179.25 178.57 3hnn h ILE 210 N 0.81 1.22 0.02 0.00 3.07 -1.89 -0.78 117.51 119.96 3hnn h ILE 210 Ca 0.44 -1.05 -0.21 0.00 1.55 0.00 0.00 64.86 65.60 3hnn h ILE 210 Cb 0.57 1.47 -0.01 0.00 -0.27 0.00 0.00 36.82 38.59 3hnn h ILE 210 CO -0.21 0.31 -0.94 0.45 -1.05 0.00 0.00 178.15 176.71 3hnn h HIS 211 N 0.11 0.32 -0.48 0.16 3.86 -1.27 -2.44 115.15 115.41 3hnn h HIS 211 Ca 0.02 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.03 3hnn h HIS 211 Cb 0.54 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 3hnn h HIS 211 CO 0.00 1.03 0.26 0.28 0.86 0.00 0.00 177.93 180.36 3hnn h VAL 212 N 0.10 1.17 -0.72 2.45 2.07 -0.69 -1.23 116.25 119.41 3hnn h VAL 212 Ca -0.06 -0.45 0.04 0.00 0.82 0.00 0.00 66.70 67.06 3hnn h VAL 212 Cb 1.59 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 3hnn h VAL 212 CO 0.14 0.18 0.44 -0.33 0.02 0.00 0.00 177.57 178.03 3hnn h GLU 213 N 0.63 0.83 -0.66 1.57 5.08 -1.13 -0.81 114.58 120.08 3hnn h GLU 213 Ca 0.17 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.50 3hnn h GLU 213 Cb 0.06 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 3hnn h GLU 213 CO -0.03 0.55 0.41 0.00 -1.00 0.00 0.00 179.01 178.94 3hnn h ALA 214 N 1.32 0.85 -0.54 3.43 0.00 -1.04 -1.54 119.26 121.74 3hnn h ALA 214 Ca 0.29 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 3hnn h ALA 214 Cb 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3hnn h ALA 214 CO -0.12 0.18 0.19 0.00 0.00 0.00 0.00 179.25 179.49 3hnn h ALA 215 N 1.28 0.71 -0.69 0.00 0.00 -0.76 -0.45 119.26 119.35 3hnn h ALA 215 Ca 0.26 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3hnn h ALA 215 Cb 0.01 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 3hnn h ALA 215 CO -0.10 0.35 0.42 -0.07 0.00 0.00 0.00 179.25 179.85 3hnn h LEU 216 N 0.75 0.67 -0.35 0.00 3.38 -0.86 -2.01 115.31 116.89 3hnn h LEU 216 Ca 0.18 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3hnn h LEU 216 Cb 0.25 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3hnn h LEU 216 CO -0.01 0.46 0.15 -0.08 0.09 0.00 0.00 178.44 179.05 3hnn h GLU 217 N 0.81 0.52 -1.01 1.13 4.22 -0.93 -1.68 114.58 117.64 3hnn h GLU 217 Ca 0.28 -0.09 0.13 0.00 0.08 0.00 0.00 59.36 59.77 3hnn h GLU 217 Cb 0.06 -0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.14 3hnn h GLU 217 CO -0.13 0.50 0.63 0.87 -2.18 0.00 0.00 179.01 178.71 3hnn h LYS 218 N 0.42 0.93 0.00 1.92 1.57 -0.61 -2.65 116.57 118.15 3hnn h LYS 218 Ca 0.12 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3hnn h LYS 218 Cb 0.17 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3hnn h LYS 218 CO -0.01 0.62 -0.76 0.44 -0.57 0.00 0.00 179.45 179.17 3hnn n ILE 219 N -4.64 0.13 0.27 1.86 -5.35 -0.80 -4.39 119.36 106.43 3hnn n ILE 219 Ca 0.20 -0.14 0.17 0.00 -0.27 0.00 0.00 62.75 62.70 3hnn n ILE 219 Cb 0.39 0.23 0.91 0.00 -1.74 0.00 0.00 39.64 39.43 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 0.00 0.00 -0.53 7.28 4.64 -0.93 -0.60 113.55 123.41 3hnn h SER 220 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hnn h SER 220 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3hnn h SER 220 CO 0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 3hnn n ASP 221 N -3.74 4.08 -4.88 4.97 8.00 -1.26 -4.89 116.55 118.84 3hnn n ASP 221 Ca -0.01 -2.40 -0.35 0.00 0.71 0.00 0.00 54.79 52.74 3hnn n ASP 221 Cb 0.18 -0.53 -0.05 0.00 -0.02 0.00 0.00 41.12 40.69 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 -1.65 4.38 -0.52 0.64 1.43 -0.23 -5.06 118.68 117.66 3hnn s LEU 222 Ca 0.42 0.60 -0.25 0.00 -1.03 0.00 0.00 54.13 53.87 3hnn s LEU 222 Cb 0.28 -2.60 0.04 0.00 0.03 0.00 0.00 46.19 43.93 3hnn s LEU 222 CO 0.20 0.28 0.96 -1.10 0.23 0.00 0.00 176.35 176.91 3hnn s GLN 223 N -1.61 3.42 -0.12 1.70 -0.21 -1.26 -5.04 119.66 116.54 3hnn s GLN 223 Ca 0.26 -0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.57 3hnn s GLN 223 Cb -0.13 -4.01 -0.02 0.00 1.00 0.00 0.00 33.01 29.85 3hnn s GLN 223 CO 0.14 -1.41 -0.13 0.08 -2.12 0.00 0.00 175.29 171.84 3hnn s VAL 224 N 3.98 3.03 -0.12 1.09 1.01 -1.26 -4.77 120.40 123.35 3hnn s VAL 224 Ca 0.34 -0.68 0.19 0.00 0.00 0.00 0.00 61.98 61.83 3hnn s VAL 224 Cb -0.11 -2.26 -0.24 0.00 0.00 0.00 0.00 36.38 33.77 3hnn s VAL 224 CO 0.22 0.53 0.44 0.54 0.00 0.00 0.00 175.10 176.83 3hnn n ARG 225 N 3.37 0.66 -3.71 2.72 1.74 0.26 -5.00 116.66 116.69 3hnn n ARG 225 Ca -0.18 -0.01 -0.13 0.00 -0.77 0.00 0.00 57.85 56.76 3hnn n ARG 225 Cb 0.53 -1.60 -0.10 0.00 -1.02 0.00 0.00 32.46 30.27 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 -5.23 0.18 -0.50 0.55 2.96 -1.23 -4.72 118.68 110.70 3hnn s LEU 226 Ca -0.07 0.94 -0.18 0.00 -0.22 0.00 0.00 54.13 54.60 3hnn s LEU 226 Cb 0.10 1.59 0.06 0.00 0.50 0.00 0.00 46.19 48.43 3hnn s LEU 226 CO 0.85 -0.17 0.57 -0.31 -1.32 0.00 0.00 176.35 175.97 3hnn s TYR 227 N 0.36 3.10 -1.26 5.38 2.02 0.24 -1.59 117.35 125.60 3hnn s TYR 227 Ca -0.01 -0.62 -0.16 0.00 -0.37 0.00 0.00 57.07 55.90 3hnn s TYR 227 Cb -0.04 -3.44 0.11 0.00 -0.40 0.00 0.00 41.96 38.19 3hnn s TYR 227 CO -0.01 -0.97 1.62 0.00 -1.57 0.00 0.00 175.55 174.62 3hnn s ALA 228 N 2.39 3.57 0.76 3.71 0.00 0.66 -1.74 121.76 131.09 3hnn s ALA 228 Ca 0.12 -3.08 -0.12 0.00 0.00 0.00 0.00 51.96 48.89 3hnn s ALA 228 Cb -0.20 -4.45 0.04 0.00 0.00 0.00 0.00 23.12 18.51 3hnn s ALA 228 CO 0.11 -3.11 1.12 0.14 0.00 0.00 0.00 175.76 174.02 3hnn s VAL 229 N 3.24 3.02 -0.03 0.00 -7.23 -1.26 -2.37 120.40 115.77 3hnn s VAL 229 Ca 0.50 0.33 0.12 0.00 -1.81 0.00 0.00 61.98 61.11 3hnn s VAL 229 Cb 0.01 -3.27 -0.09 0.00 0.56 0.00 0.00 36.38 33.60 3hnn s VAL 229 CO 0.05 -0.43 1.26 1.23 -0.31 0.00 0.00 175.10 176.90 3hnn h GLY 230 N -0.86 0.00 -5.79 2.32 0.00 -0.49 -3.42 103.07 94.83 3hnn h GLY 230 Ca -0.46 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.47 3hnn h GLY 230 CO 0.63 0.00 -0.77 0.30 0.00 0.00 0.00 176.54 176.70 3hnn s HIS 231 N -2.83 0.77 0.00 5.60 3.76 -1.26 0.01 115.29 121.34 3hnn s HIS 231 Ca 0.01 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.73 3hnn s HIS 231 Cb 0.09 -0.60 0.00 0.00 1.11 0.00 0.00 32.58 33.18 3hnn s HIS 231 CO 0.79 -0.12 0.00 0.41 -0.85 0.00 0.00 174.74 174.97 3hnn n GLY 232 N 3.53 -1.68 3.77 -2.22 0.00 -1.05 -1.56 105.19 105.99 3hnn n GLY 232 Ca -0.20 -1.44 -0.37 0.00 0.00 0.00 0.00 46.02 44.01 3hnn n GLY 232 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hnn s PRO 233 N 0.00 3.77 0.23 1.61 0.04 -1.26 -4.92 135.00 134.46 3hnn s PRO 233 Ca 0.00 1.76 -0.30 0.00 0.04 0.00 0.00 61.00 62.50 3hnn s PRO 233 Cb 0.00 -2.40 -0.09 0.00 0.04 0.00 0.00 34.50 32.05 3hnn s PRO 233 CO 0.00 -0.54 1.25 -0.51 0.04 0.00 0.00 177.00 177.24 3hnn s LEU 234 N -3.03 4.45 -0.44 -3.56 1.02 0.41 -4.61 118.68 112.92 3hnn s LEU 234 Ca 0.63 2.38 -0.18 0.00 0.02 0.00 0.00 54.13 56.98 3hnn s LEU 234 Cb -0.28 -3.62 0.03 0.00 0.02 0.00 0.00 46.19 42.34 3hnn s LEU 234 CO 0.34 -0.43 0.50 -0.69 0.02 0.00 0.00 176.35 176.09 3hnn s VAL 235 N -0.29 5.01 0.00 -1.59 1.01 -0.71 0.83 120.40 124.65 3hnn s VAL 235 Ca 0.53 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.22 3hnn s VAL 235 Cb -0.35 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 31.92 3hnn s VAL 235 CO 0.40 -0.51 0.00 -1.14 0.00 0.00 0.00 175.10 173.86 3hnn n ARG 236 N 5.79 0.00 0.18 2.72 0.63 -0.71 -0.59 116.66 124.68 3hnn n ARG 236 Ca -0.06 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.89 3hnn n ARG 236 Cb 0.47 0.00 0.34 0.00 0.45 0.00 0.00 32.46 33.72 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 1.28 -0.05 5.15 2.02 -1.80 -2.50 112.91 117.01 3hnn h THR 237 Ca 0.00 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 65.83 3hnn h THR 237 Cb 0.00 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 3hnn h THR 237 CO 0.00 0.39 0.00 -1.20 0.37 0.00 0.00 175.52 175.08 3hnn n SER 238 N -4.07 0.54 -0.04 4.18 7.64 -1.22 -4.25 113.62 116.39 3hnn n SER 238 Ca -0.02 -1.52 -0.09 0.00 1.01 0.00 0.00 58.87 58.25 3hnn n SER 238 Cb 0.43 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.56 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 0.71 0.10 -0.25 -3.43 6.46 -1.69 0.15 115.31 117.36 3hnn h LEU 239 Ca 0.00 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.75 3hnn h LEU 239 Cb 0.16 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 3hnn h LEU 239 CO 0.00 0.08 0.06 0.40 -0.62 0.00 0.00 178.44 178.36 3hnn h ILE 240 N 0.17 1.21 -0.59 4.05 2.04 -1.82 -1.45 117.51 121.12 3hnn h ILE 240 Ca 0.08 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 3hnn h ILE 240 Cb 0.04 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 3hnn h ILE 240 CO -0.08 0.22 0.23 0.00 0.00 0.00 0.00 178.15 178.52 3hnn h ALA 241 N 0.88 1.30 -0.24 1.87 0.00 -1.75 -2.36 119.26 118.96 3hnn h ALA 241 Ca 0.08 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 3hnn h ALA 241 Cb 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3hnn h ALA 241 CO 0.00 0.52 -0.50 1.25 0.00 0.00 0.00 179.25 180.52 3hnn h LEU 242 N 0.84 0.74 -0.49 0.00 5.85 -0.47 -1.21 115.31 120.59 3hnn h LEU 242 Ca 0.20 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 3hnn h LEU 242 Cb 0.18 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3hnn h LEU 242 CO -0.02 1.11 0.18 0.74 -0.34 0.00 0.00 178.44 180.12 3hnn h THR 243 N 0.53 1.21 -0.71 1.05 2.02 -1.04 0.15 112.91 116.12 3hnn h THR 243 Ca 0.02 -0.68 -0.05 0.00 0.77 0.00 0.00 66.41 66.47 3hnn h THR 243 Cb 1.06 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 3hnn h THR 243 CO 0.10 0.25 0.25 -0.61 0.37 0.00 0.00 175.52 175.88 3hnn h GLN 244 N 0.64 1.09 -0.09 6.66 5.75 -1.31 -1.45 115.11 126.40 3hnn h GLN 244 Ca 0.16 -0.22 0.01 0.00 -0.15 0.00 0.00 58.65 58.45 3hnn h GLN 244 Cb 0.22 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 3hnn h GLN 244 CO -0.01 0.93 0.02 0.00 -2.65 0.00 0.00 178.83 177.11 3hnn h ALA 245 N 1.12 0.09 -0.90 3.38 0.00 -0.89 -0.29 119.26 121.76 3hnn h ALA 245 Ca 0.23 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.29 3hnn h ALA 245 Cb 0.27 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 3hnn h ALA 245 CO -0.01 -0.45 0.52 1.88 0.00 0.00 0.00 179.25 181.19 3hnn h TYR 246 N 0.05 0.93 -0.33 0.00 -1.99 -0.36 0.31 116.97 115.58 3hnn h TYR 246 Ca 0.04 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.76 3hnn h TYR 246 Cb 0.03 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 38.47 3hnn h TYR 246 CO -0.11 0.32 0.03 0.00 -0.00 0.00 0.00 178.16 178.40 3hnn h ALA 247 N 1.53 0.44 -0.21 3.88 0.00 -0.88 -0.89 119.26 123.13 3hnn h ALA 247 Ca 0.46 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3hnn h ALA 247 Cb 0.53 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3hnn h ALA 247 CO -0.30 0.17 0.06 -0.44 0.00 0.00 0.00 179.25 178.74 3hnn h ASP 248 N 0.39 0.31 -0.70 0.00 3.32 -0.37 -2.29 116.42 117.07 3hnn h ASP 248 Ca 0.10 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 3hnn h ASP 248 Cb 0.39 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 3hnn h ASP 248 CO 0.01 0.44 0.42 -0.50 -1.72 0.00 0.00 179.24 177.89 3hnn h TRP 249 N 0.17 0.93 -0.34 4.55 6.55 -0.43 -1.58 115.95 125.80 3hnn h TRP 249 Ca 0.07 -0.00 -0.07 0.00 0.95 0.00 0.00 58.89 59.83 3hnn h TRP 249 Cb 0.24 -0.31 -0.01 0.00 -0.86 0.00 0.00 29.16 28.22 3hnn h TRP 249 CO 0.00 0.62 -0.07 0.77 -1.05 0.00 0.00 178.44 178.71 3hnn h SER 250 N 0.98 0.65 -0.34 -3.49 0.02 -0.96 -1.29 113.55 109.10 3hnn h SER 250 Ca 0.25 -0.36 -0.12 0.00 -0.84 0.00 0.00 61.79 60.72 3hnn h SER 250 Cb -0.03 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 3hnn h SER 250 CO -0.05 0.86 -0.23 0.07 -1.14 0.00 0.00 176.83 176.34 3hnn h LYS 251 N 0.43 0.84 -0.81 3.45 2.10 -1.31 -2.12 116.57 119.14 3hnn h LYS 251 Ca 0.09 -0.35 0.04 0.00 -2.00 0.00 0.00 60.65 58.43 3hnn h LYS 251 Cb 0.57 -0.03 -0.05 0.00 -0.90 0.00 0.00 32.23 31.81 3hnn h LYS 251 CO 0.03 0.98 0.51 0.00 -2.00 0.00 0.00 179.45 178.97 3hnn h ALA 252 N 1.01 1.08 -0.63 0.07 0.00 -1.17 -2.67 119.26 116.95 3hnn h ALA 252 Ca 0.10 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3hnn h ALA 252 Cb 0.77 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3hnn h ALA 252 CO 0.06 0.29 0.18 0.37 0.00 0.00 0.00 179.25 180.16 3hnn h GLN 253 N 0.96 0.97 -0.21 0.00 5.75 -0.91 -2.74 115.11 118.93 3hnn h GLN 253 Ca 0.34 -0.20 -0.02 0.00 -0.15 0.00 0.00 58.65 58.62 3hnn h GLN 253 Cb 0.08 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 3hnn h GLN 253 CO -0.14 0.84 0.03 0.87 -2.65 0.00 0.00 178.83 177.78 3hnn h LYS 254 N 0.93 0.30 0.28 1.69 1.57 -1.04 0.17 116.57 120.47 3hnn h LYS 254 Ca 0.21 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3hnn h LYS 254 Cb 0.29 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3hnn h LYS 254 CO -0.01 0.30 -0.13 -0.07 -0.57 0.00 0.00 179.45 178.97 3hnn h LEU 255 N 0.30 -0.32 -0.46 2.94 3.38 -1.39 -2.96 115.31 116.81 3hnn h LEU 255 Ca 0.07 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.00 3hnn h LEU 255 Cb 0.16 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3hnn h LEU 255 CO 0.00 -0.08 0.17 -0.33 0.09 0.00 0.00 178.44 178.29 3hnn h GLU 256 N -0.54 0.34 -0.17 1.13 4.39 -1.28 -3.17 114.58 115.27 3hnn h GLU 256 Ca -0.04 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.69 3hnn h GLU 256 Cb 0.40 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 28.90 3hnn h GLU 256 CO 0.06 0.22 -0.42 0.45 -1.16 0.00 0.00 179.01 178.17 3hnn h HIS 257 N 0.35 -1.19 -1.01 4.33 3.86 -0.62 -3.03 115.15 117.83 3hnn h HIS 257 Ca 0.21 0.05 -0.26 0.00 -1.16 0.00 0.00 60.37 59.22 3hnn h HIS 257 Cb 0.20 0.55 0.00 0.00 1.06 0.00 0.00 27.41 29.22 3hnn h HIS 257 CO -0.15 -0.47 0.92 1.58 0.86 0.00 0.00 177.93 180.67 3hnn n HIS 258 N -5.43 1.29 -1.32 2.45 -0.00 -1.13 -4.73 115.22 106.35 3hnn n HIS 258 Ca -0.04 0.06 -0.14 0.00 -0.00 0.00 0.00 57.72 57.60 3hnn n HIS 258 Cb 0.36 -2.61 -0.09 0.00 -0.00 0.00 0.00 29.99 27.65 3hnn n HIS 258 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3hnn n HIS 259 N 17.09 0.58 0.23 1.57 -0.00 -1.15 -4.89 115.22 128.65 3hnn n HIS 259 Ca 0.42 -0.16 0.03 0.00 -0.00 0.00 0.00 57.72 58.01 3hnn n HIS 259 Cb 0.49 -1.90 0.02 0.00 -0.00 0.00 0.00 29.99 28.60 3hnn n HIS 259 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95