#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ng0 s TRP 63 N 0.00 2.31 -0.05 -0.67 -2.14 -1.26 -4.75 118.94 112.38 1ng0 s TRP 63 Ca 0.00 -0.71 0.03 0.00 2.66 0.00 0.00 56.10 58.08 1ng0 s TRP 63 Cb 0.00 -1.85 0.00 0.00 -3.10 0.00 0.00 33.47 28.52 1ng0 s TRP 63 CO 0.00 0.15 -0.15 -0.06 -2.66 0.00 0.00 176.95 174.23 1ng0 s PHE 64 N -2.70 1.57 -0.24 1.66 0.40 0.43 -4.95 117.98 114.14 1ng0 s PHE 64 Ca 0.32 -0.50 -0.10 0.00 -0.60 0.00 0.00 56.93 56.05 1ng0 s PHE 64 Cb 0.04 -1.09 -0.05 0.00 0.51 0.00 0.00 43.02 42.43 1ng0 s PHE 64 CO 0.18 -0.21 0.15 0.34 0.70 0.00 0.00 175.22 176.38 1ng0 s ASP 65 N 0.28 5.96 0.38 1.36 -1.08 -1.26 -0.07 116.67 122.24 1ng0 s ASP 65 Ca -0.08 0.06 0.20 0.00 -0.52 0.00 0.00 52.55 52.21 1ng0 s ASP 65 Cb -0.13 -2.08 0.50 0.00 -1.46 0.00 0.00 42.92 39.76 1ng0 s ASP 65 CO 0.03 0.05 1.65 0.71 0.52 0.00 0.00 175.17 178.12 1ng0 h THR 66 N 5.11 0.59 0.00 1.71 1.35 -1.81 -3.50 112.91 116.36 1ng0 h THR 66 Ca -0.37 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 63.95 1ng0 h THR 66 Cb 1.17 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 1ng0 h THR 66 CO 0.64 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 176.81 1ng0 n GLY 67 N 0.71 -2.24 3.76 5.82 0.00 -1.26 -4.81 105.19 107.17 1ng0 n GLY 67 Ca 0.01 -1.52 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 1ng0 n GLY 67 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ng0 s MET 68 N -0.53 4.64 -0.03 1.61 -1.94 -1.26 -4.11 119.30 117.67 1ng0 s MET 68 Ca 0.00 1.69 -0.03 0.00 -1.71 0.00 0.00 55.69 55.64 1ng0 s MET 68 Cb 0.00 -3.13 0.01 0.00 2.01 0.00 0.00 34.83 33.72 1ng0 s MET 68 CO 0.00 0.25 0.09 0.42 -0.01 0.00 0.00 175.02 175.76 1ng0 s ILE 69 N -1.23 -0.01 -0.12 2.53 1.01 0.52 -4.95 121.20 118.94 1ng0 s ILE 69 Ca 0.45 0.04 -0.12 0.00 0.00 0.00 0.00 60.65 61.02 1ng0 s ILE 69 Cb -0.29 -0.13 -0.05 0.00 0.01 0.00 0.00 42.46 42.00 1ng0 s ILE 69 CO 0.37 0.02 0.27 -0.89 0.00 0.00 0.00 174.94 174.71 1ng0 s THR 70 N 0.28 5.30 0.02 2.92 2.01 -1.26 -1.29 115.64 123.62 1ng0 s THR 70 Ca -0.02 0.52 0.01 0.00 0.31 0.00 0.00 61.69 62.51 1ng0 s THR 70 Cb -0.03 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.88 1ng0 s THR 70 CO -0.01 0.48 -0.05 -0.44 -0.69 0.00 0.00 174.62 173.91 1ng0 s SER 71 N -0.17 0.55 -0.31 3.53 0.01 0.12 -4.96 113.70 112.48 1ng0 s SER 71 Ca 0.17 -0.31 -0.27 0.00 1.31 0.00 0.00 55.95 56.85 1ng0 s SER 71 Cb -0.13 0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.11 1ng0 s SER 71 CO 0.05 -0.10 0.95 -0.47 0.41 0.00 0.00 173.24 174.08 1ng0 s TYR 72 N -0.79 3.19 0.03 2.43 5.04 -1.26 -0.85 117.35 125.13 1ng0 s TYR 72 Ca -0.06 1.06 0.01 0.00 -2.44 0.00 0.00 57.07 55.64 1ng0 s TYR 72 Cb -0.06 -3.46 -0.26 0.00 0.35 0.00 0.00 41.96 38.54 1ng0 s TYR 72 CO -0.00 -0.66 0.94 1.25 -1.34 0.00 0.00 175.55 175.74 1ng0 h LEU 73 N 9.77 0.26 0.00 6.97 5.85 -1.41 -3.47 115.31 133.28 1ng0 h LEU 73 Ca -0.22 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.14 1ng0 h LEU 73 Cb 1.08 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.02 1ng0 h LEU 73 CO 0.97 1.29 0.00 0.61 -0.34 0.00 0.00 178.44 180.97 1ng0 n GLY 74 N 1.58 0.34 3.96 3.75 0.00 -1.14 -4.99 105.19 108.69 1ng0 n GLY 74 Ca -0.13 -1.83 -0.22 0.00 0.00 0.00 0.00 46.02 43.84 1ng0 n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ng0 s GLY 75 N 0.00 1.57 -0.48 -0.02 0.00 -1.26 -0.12 107.32 107.01 1ng0 s GLY 75 Ca 0.00 -1.13 -0.21 0.00 0.00 0.00 0.00 44.72 43.38 1ng0 s GLY 75 CO 0.00 -0.98 0.72 -0.12 0.00 0.00 0.00 173.10 172.72 1ng0 s PHE 76 N -2.48 2.99 -0.28 1.90 5.36 0.09 -4.75 117.98 120.80 1ng0 s PHE 76 Ca 0.48 -0.17 -0.13 0.00 -0.96 0.00 0.00 56.93 56.15 1ng0 s PHE 76 Cb -0.10 -3.60 -0.04 0.00 -0.34 0.00 0.00 43.02 38.94 1ng0 s PHE 76 CO 0.37 -1.04 0.26 -0.65 -1.46 0.00 0.00 175.22 172.70 1ng0 s GLN 77 N 3.06 3.95 -0.13 10.12 -1.52 -1.26 -3.64 119.66 130.24 1ng0 s GLN 77 Ca 0.23 -0.20 -0.07 0.00 -1.95 0.00 0.00 55.36 53.36 1ng0 s GLN 77 Cb -0.15 -3.67 -0.04 0.00 -0.22 0.00 0.00 33.01 28.93 1ng0 s GLN 77 CO 0.17 -0.23 0.12 1.03 -0.25 0.00 0.00 175.29 176.13 1ng0 s ARG 78 N 1.87 3.54 0.00 2.91 0.52 -0.31 -4.93 118.95 122.55 1ng0 s ARG 78 Ca 0.10 -0.18 0.00 0.00 -0.52 0.00 0.00 55.73 55.13 1ng0 s ARG 78 Cb -0.16 -3.19 0.00 0.00 0.52 0.00 0.00 34.95 32.12 1ng0 s ARG 78 CO 0.11 0.67 0.00 2.41 0.02 0.00 0.00 175.30 178.51 1ng0 n THR 79 N 2.31 0.00 0.03 0.02 -1.04 -1.26 -2.44 114.28 111.90 1ng0 n THR 79 Ca -0.19 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.69 1ng0 n THR 79 Cb 0.54 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.92 1ng0 n THR 79 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ng0 h ALA 80 N 1.00 0.44 -2.39 2.41 0.00 -1.89 -2.77 119.26 116.07 1ng0 h ALA 80 Ca 0.00 -1.20 -0.52 0.00 0.00 0.00 0.00 54.91 53.19 1ng0 h ALA 80 Cb 0.00 0.30 0.14 0.00 0.00 0.00 0.00 17.79 18.23 1ng0 h ALA 80 CO 0.00 1.30 0.33 0.20 0.00 0.00 0.00 179.25 181.08 1ng0 s GLY 81 N -5.01 1.88 -0.19 0.00 0.00 -1.26 -4.67 107.32 98.07 1ng0 s GLY 81 Ca -0.07 0.46 -0.23 0.00 0.00 0.00 0.00 44.72 44.88 1ng0 s GLY 81 CO 0.83 0.82 0.35 -0.84 0.00 0.00 0.00 173.10 174.27 1ng0 h THR 82 N -0.84 1.12 0.00 0.90 2.02 -1.98 -3.35 112.91 110.78 1ng0 h THR 82 Ca -0.45 -2.17 -0.02 0.00 0.77 0.00 0.00 66.41 64.54 1ng0 h THR 82 Cb 1.25 2.44 -0.01 0.00 -1.74 0.00 0.00 68.15 70.09 1ng0 h THR 82 CO 0.50 0.38 -0.04 0.41 0.37 0.00 0.00 175.52 177.15 1ng0 n THR 83 N -4.50 1.80 -3.56 3.16 -1.04 -1.26 -4.75 114.28 104.14 1ng0 n THR 83 Ca -0.24 -0.54 -0.41 0.00 -2.04 0.00 0.00 64.05 60.81 1ng0 n THR 83 Cb 0.60 -1.49 -0.11 0.00 -1.82 0.00 0.00 70.33 67.51 1ng0 n THR 83 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1ng0 s ASP 84 N 2.02 5.86 -0.04 8.00 1.11 -1.26 -5.04 116.67 127.33 1ng0 s ASP 84 Ca 0.08 -0.85 -0.04 0.00 0.18 0.00 0.00 52.55 51.92 1ng0 s ASP 84 Cb 0.04 -2.07 0.01 0.00 1.07 0.00 0.00 42.92 41.96 1ng0 s ASP 84 CO 0.00 -0.37 0.10 -0.94 1.18 0.00 0.00 175.17 175.15 1ng0 s SER 85 N 1.62 -0.10 0.02 0.27 1.04 -1.26 -4.27 113.70 111.03 1ng0 s SER 85 Ca 0.04 0.18 -0.19 0.00 0.48 0.00 0.00 55.95 56.46 1ng0 s SER 85 Cb -0.19 0.21 -0.06 0.00 0.10 0.00 0.00 66.02 66.09 1ng0 s SER 85 CO 0.08 -0.06 0.54 -1.10 0.98 0.00 0.00 173.24 173.68 1ng0 s GLN 86 N -0.03 4.19 -0.09 4.02 -0.21 0.46 -4.92 119.66 123.07 1ng0 s GLN 86 Ca -0.01 0.65 0.03 0.00 0.02 0.00 0.00 55.36 56.05 1ng0 s GLN 86 Cb -0.01 -3.28 0.01 0.00 1.00 0.00 0.00 33.01 30.73 1ng0 s GLN 86 CO 0.00 0.54 -0.19 0.08 -2.12 0.00 0.00 175.29 173.61 1ng0 s VAL 87 N -0.74 1.68 -0.06 1.09 1.01 -1.26 -1.11 120.40 121.01 1ng0 s VAL 87 Ca 0.28 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.53 1ng0 s VAL 87 Cb -0.18 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 1ng0 s VAL 87 CO 0.17 0.48 -0.24 -0.36 0.00 0.00 0.00 175.10 175.14 1ng0 s PHE 88 N 0.56 2.47 0.04 5.22 0.40 0.47 -4.96 117.98 122.17 1ng0 s PHE 88 Ca -0.15 -0.73 -0.24 0.00 -0.60 0.00 0.00 56.93 55.20 1ng0 s PHE 88 Cb -0.17 -1.62 -0.05 0.00 0.51 0.00 0.00 43.02 41.69 1ng0 s PHE 88 CO 0.05 -0.22 0.75 0.42 0.70 0.00 0.00 175.22 176.92 1ng0 s ILE 89 N -0.13 4.76 -0.62 0.64 1.01 -1.26 0.16 121.20 125.75 1ng0 s ILE 89 Ca -0.04 1.59 -0.27 0.00 0.00 0.00 0.00 60.65 61.92 1ng0 s ILE 89 Cb -0.14 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.24 1ng0 s ILE 89 CO 0.04 0.37 1.60 -0.69 0.00 0.00 0.00 174.94 176.26 1ng0 s VAL 90 N -0.05 3.55 -0.07 2.92 1.01 -0.34 -4.89 120.40 122.53 1ng0 s VAL 90 Ca 0.38 0.37 -0.30 0.00 0.00 0.00 0.00 61.98 62.43 1ng0 s VAL 90 Cb -0.20 -4.31 0.10 0.00 0.00 0.00 0.00 36.38 31.97 1ng0 s VAL 90 CO 0.22 -1.21 0.83 -0.55 0.00 0.00 0.00 175.10 174.40 1ng0 s SER 91 N 6.00 -0.49 0.38 3.32 0.15 -1.26 -4.34 113.70 117.46 1ng0 s SER 91 Ca 0.56 0.42 0.21 0.00 0.70 0.00 0.00 55.95 57.83 1ng0 s SER 91 Cb -0.11 0.42 0.45 0.00 -1.71 0.00 0.00 66.02 65.07 1ng0 s SER 91 CO 0.21 -0.53 1.63 -0.65 1.20 0.00 0.00 173.24 175.09 1ng0 h PRO 92 N 2.58 0.00 -0.31 5.44 0.11 -1.93 -3.40 132.00 134.49 1ng0 h PRO 92 Ca -0.23 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.91 1ng0 h PRO 92 Cb 1.18 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1ng0 h PRO 92 CO 0.34 0.27 -0.18 0.00 -0.21 0.00 0.00 178.00 178.22 1ng0 n ALA 93 N -2.19 -0.20 0.50 -0.75 0.00 -1.26 -0.76 120.51 115.85 1ng0 n ALA 93 Ca 0.02 0.27 0.13 0.00 0.00 0.00 0.00 53.44 53.85 1ng0 n ALA 93 Cb 0.57 0.01 0.39 0.00 0.00 0.00 0.00 19.45 20.42 1ng0 n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ng0 h ALA 94 N 0.04 1.00 -2.73 0.00 0.00 -1.96 -3.42 119.26 112.19 1ng0 h ALA 94 Ca 0.05 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.43 1ng0 h ALA 94 Cb 0.13 0.00 0.06 0.00 0.00 0.00 0.00 17.79 17.98 1ng0 h ALA 94 CO -0.29 0.00 0.81 -0.51 0.00 0.00 0.00 179.25 179.26 1ng0 s LEU 95 N -4.93 4.37 0.15 0.00 1.43 0.06 -4.91 118.68 114.85 1ng0 s LEU 95 Ca 0.09 2.72 -0.23 0.00 -1.03 0.00 0.00 54.13 55.67 1ng0 s LEU 95 Cb 0.10 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.73 1ng0 s LEU 95 CO 0.58 -0.77 1.62 -0.78 0.23 0.00 0.00 176.35 177.23 1ng0 h ASP 96 N 5.39 -0.88 0.00 2.29 3.58 -1.89 -0.82 116.42 124.09 1ng0 h ASP 96 Ca -0.45 0.15 -0.17 0.00 0.42 0.00 0.00 57.03 56.97 1ng0 h ASP 96 Cb 1.21 0.41 -0.03 0.00 1.72 0.00 0.00 39.33 42.64 1ng0 h ASP 96 CO 0.81 -0.31 -1.32 0.54 -2.88 0.00 0.00 179.24 176.08 1ng0 n ARG 97 N -5.39 0.53 -0.32 0.28 1.74 -1.26 -3.98 116.66 108.25 1ng0 n ARG 97 Ca -0.01 0.39 0.10 0.00 -0.77 0.00 0.00 57.85 57.57 1ng0 n ARG 97 Cb 0.31 -1.59 0.28 0.00 -1.02 0.00 0.00 32.46 30.43 1ng0 n ARG 97 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1ng0 h VAL 98 N -1.00 0.69 -0.41 1.55 2.07 -1.88 0.31 116.25 117.57 1ng0 h VAL 98 Ca -0.26 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.06 1ng0 h VAL 98 Cb 1.10 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1ng0 h VAL 98 CO -0.16 0.12 0.22 1.23 0.02 0.00 0.00 177.57 179.00 1ng0 h GLY 99 N 0.65 0.57 0.88 2.17 0.00 -1.02 0.76 103.07 107.08 1ng0 h GLY 99 Ca 0.52 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 1ng0 h GLY 99 CO -0.39 0.13 0.05 -0.84 0.00 0.00 0.00 176.54 175.48 1ng0 h THR 100 N 0.45 1.13 0.02 4.70 2.02 -1.12 -2.56 112.91 117.56 1ng0 h THR 100 Ca 0.17 -0.40 0.01 0.00 0.77 0.00 0.00 66.41 66.96 1ng0 h THR 100 Cb 0.05 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1ng0 h THR 100 CO -0.10 0.12 -0.06 0.40 0.37 0.00 0.00 175.52 176.25 1ng0 h ILE 101 N 0.03 0.86 -0.53 3.11 2.04 -1.00 -2.76 117.51 119.25 1ng0 h ILE 101 Ca 0.04 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.01 1ng0 h ILE 101 Cb 0.15 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1ng0 h ILE 101 CO -0.00 0.00 0.36 0.00 0.00 0.00 0.00 178.15 178.51 1ng0 h ALA 102 N 0.86 2.23 -0.97 1.87 0.00 -0.79 -2.52 119.26 119.94 1ng0 h ALA 102 Ca 0.02 -0.01 0.28 0.00 0.00 0.00 0.00 54.91 55.19 1ng0 h ALA 102 Cb 0.13 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1ng0 h ALA 102 CO -0.04 -0.37 0.69 0.87 0.00 0.00 0.00 179.25 180.40 1ng0 h LYS 103 N 0.19 0.04 -0.01 0.00 1.79 -1.15 0.68 116.57 118.11 1ng0 h LYS 103 Ca 0.25 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1ng0 h LYS 103 Cb 0.72 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1ng0 h LYS 103 CO -0.04 0.03 0.00 0.00 -1.08 0.00 0.00 179.45 178.35 1ng0 n ALA 104 N -2.70 2.65 -2.43 3.86 0.00 -0.95 -3.88 120.51 117.05 1ng0 n ALA 104 Ca 0.20 -0.27 -0.23 0.00 0.00 0.00 0.00 53.44 53.14 1ng0 n ALA 104 Cb 1.01 -1.39 -0.11 0.00 0.00 0.00 0.00 19.45 18.96 1ng0 n ALA 104 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ng0 s TYR 105 N -1.99 2.04 -0.12 0.00 2.02 0.23 -2.91 117.35 116.61 1ng0 s TYR 105 Ca 0.43 -0.42 0.11 0.00 -0.37 0.00 0.00 57.07 56.82 1ng0 s TYR 105 Cb 0.21 -0.97 -0.24 0.00 -0.40 0.00 0.00 41.96 40.56 1ng0 s TYR 105 CO 0.34 0.47 0.35 0.00 -1.57 0.00 0.00 175.55 175.15 1ng0 n ALA 106 N -0.05 1.41 -2.42 3.71 0.00 0.89 -4.80 120.51 119.25 1ng0 n ALA 106 Ca -0.10 -0.96 -0.22 0.00 0.00 0.00 0.00 53.44 52.16 1ng0 n ALA 106 Cb 0.58 -0.54 -0.10 0.00 0.00 0.00 0.00 19.45 19.39 1ng0 n ALA 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ng0 s LEU 107 N -6.06 2.57 0.16 0.00 1.43 0.28 -1.59 118.68 115.47 1ng0 s LEU 107 Ca -0.11 -1.07 -0.16 0.00 -1.03 0.00 0.00 54.13 51.76 1ng0 s LEU 107 Cb 0.07 -0.85 0.03 0.00 0.03 0.00 0.00 46.19 45.47 1ng0 s LEU 107 CO 0.80 -0.13 0.45 -1.66 0.23 0.00 0.00 176.35 176.04 1ng0 s TRP 108 N -2.78 -0.14 -0.11 0.29 1.48 0.06 -1.48 118.94 116.25 1ng0 s TRP 108 Ca 0.27 -0.19 -0.06 0.00 -1.06 0.00 0.00 56.10 55.07 1ng0 s TRP 108 Cb -0.01 0.30 0.05 0.00 -1.16 0.00 0.00 33.47 32.65 1ng0 s TRP 108 CO 0.11 -0.79 0.27 0.50 -4.06 0.00 0.00 176.95 172.98 1ng0 s ARG 109 N -3.84 0.24 -0.09 3.25 3.52 -0.27 -0.73 118.95 121.03 1ng0 s ARG 109 Ca 0.06 0.56 -0.30 0.00 -0.13 0.00 0.00 55.73 55.92 1ng0 s ARG 109 Cb 0.01 -0.10 -0.02 0.00 -1.56 0.00 0.00 34.95 33.28 1ng0 s ARG 109 CO -0.08 -0.16 1.10 -2.14 -0.81 0.00 0.00 175.30 173.22 1ng0 s PRO 110 N 1.23 4.38 -0.18 5.12 0.02 -1.26 -0.90 135.00 143.40 1ng0 s PRO 110 Ca -0.09 1.53 0.12 0.00 0.02 0.00 0.00 61.00 62.58 1ng0 s PRO 110 Cb -0.10 -3.56 -0.20 0.00 0.02 0.00 0.00 34.50 30.67 1ng0 s PRO 110 CO -0.09 -0.39 -0.00 1.63 -0.33 0.00 0.00 177.00 177.82 1ng0 n LYS 111 N 5.17 1.01 -3.67 5.54 4.76 0.25 -4.83 118.16 126.39 1ng0 n LYS 111 Ca 0.10 0.03 -0.09 0.00 -2.87 0.00 0.00 58.31 55.48 1ng0 n LYS 111 Cb 0.47 -1.45 -0.09 0.00 -1.84 0.00 0.00 35.03 32.12 1ng0 n LYS 111 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1ng0 s HIS 112 N -2.43 -0.79 -0.33 2.13 2.46 -0.46 -4.70 115.29 111.16 1ng0 s HIS 112 Ca -0.14 1.61 0.00 0.00 0.47 0.00 0.00 55.06 57.01 1ng0 s HIS 112 Cb 0.06 0.40 0.14 0.00 -0.13 0.00 0.00 32.58 33.05 1ng0 s HIS 112 CO 0.67 -0.43 0.29 -0.46 -2.47 0.00 0.00 174.74 172.34 1ng0 s TRP 113 N 1.67 -0.08 -0.05 3.88 -0.11 -1.26 -0.37 118.94 122.63 1ng0 s TRP 113 Ca -0.09 -0.78 0.04 0.00 1.22 0.00 0.00 56.10 56.49 1ng0 s TRP 113 Cb -0.08 -0.58 0.00 0.00 -1.50 0.00 0.00 33.47 31.31 1ng0 s TRP 113 CO -0.15 -0.91 -0.16 -2.00 -4.62 0.00 0.00 176.95 169.11 1ng0 s GLU 114 N 1.75 1.77 -0.16 5.86 2.12 -0.87 -0.59 118.70 128.57 1ng0 s GLU 114 Ca 0.14 -0.56 -0.07 0.00 0.36 0.00 0.00 54.97 54.84 1ng0 s GLU 114 Cb -0.16 -1.51 -0.04 0.00 0.26 0.00 0.00 34.13 32.68 1ng0 s GLU 114 CO -0.16 0.19 0.08 0.42 -0.54 0.00 0.00 175.26 175.24 1ng0 s ILE 115 N 0.19 4.98 -0.11 -3.70 1.09 -0.29 -1.10 121.20 122.26 1ng0 s ILE 115 Ca -0.07 0.03 0.01 0.00 -1.10 0.00 0.00 60.65 59.52 1ng0 s ILE 115 Cb -0.12 -3.22 -0.01 0.00 -1.06 0.00 0.00 42.46 38.05 1ng0 s ILE 115 CO 0.03 0.51 -0.16 -0.69 -0.10 0.00 0.00 174.94 174.53 1ng0 s VAL 116 N -0.10 2.81 -0.16 2.92 1.01 0.21 -1.43 120.40 125.67 1ng0 s VAL 116 Ca 0.08 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.19 1ng0 s VAL 116 Cb -0.12 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 1ng0 s VAL 116 CO 0.01 0.54 0.20 -0.47 0.00 0.00 0.00 175.10 175.38 1ng0 s TYR 117 N 0.20 3.48 -0.06 5.22 5.04 -0.31 -0.59 117.35 130.33 1ng0 s TYR 117 Ca -0.10 0.50 0.02 0.00 -2.44 0.00 0.00 57.07 55.05 1ng0 s TYR 117 Cb -0.16 -2.19 0.01 0.00 0.35 0.00 0.00 41.96 39.98 1ng0 s TYR 117 CO 0.06 0.38 -0.12 -0.51 -1.34 0.00 0.00 175.55 174.02 1ng0 s LEU 118 N 0.03 1.63 0.87 6.97 1.43 -0.63 -4.50 118.68 124.48 1ng0 s LEU 118 Ca 0.13 -0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 52.84 1ng0 s LEU 118 Cb -0.12 -0.79 0.11 0.00 0.03 0.00 0.00 46.19 45.43 1ng0 s LEU 118 CO 0.02 0.03 1.09 -2.84 0.23 0.00 0.00 176.35 174.88 1ng0 s PRO 119 N 0.65 1.46 0.00 1.29 0.02 -1.26 -0.14 135.00 137.02 1ng0 s PRO 119 Ca -0.14 0.93 0.00 0.00 0.02 0.00 0.00 61.00 61.81 1ng0 s PRO 119 Cb -0.15 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.54 1ng0 s PRO 119 CO 0.03 -2.13 0.47 2.89 -0.33 0.00 0.00 177.00 177.94 1ng0 n ARG 120 N -3.82 0.00 -4.66 5.54 1.85 -0.36 -4.76 116.66 110.45 1ng0 n ARG 120 Ca 0.08 -0.16 -0.30 0.00 -1.00 0.00 0.00 57.85 56.47 1ng0 n ARG 120 Cb 0.55 -0.09 -0.09 0.00 -1.05 0.00 0.00 32.46 31.77 1ng0 n ARG 120 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ng0 s SER 122 N -3.76 6.44 0.00 0.00 0.15 -1.26 -4.90 113.70 110.37 1ng0 s SER 122 Ca 0.22 2.10 0.05 0.00 0.70 0.00 0.00 55.95 59.02 1ng0 s SER 122 Cb 0.06 -2.58 0.32 0.00 -1.71 0.00 0.00 66.02 62.10 1ng0 s SER 122 CO 0.11 -0.72 0.73 0.35 1.20 0.00 0.00 173.24 174.92 1ng0 n THR 123 N -0.45 0.00 0.95 6.45 -2.24 -1.26 -1.20 114.28 116.54 1ng0 n THR 123 Ca 0.07 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.95 1ng0 n THR 123 Cb 0.50 -0.50 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1ng0 n THR 123 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ng0 n GLN 124 N -0.70 0.03 -1.93 -0.78 6.02 -1.26 -4.94 117.38 113.83 1ng0 n GLN 124 Ca 0.04 -0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.60 1ng0 n GLN 124 Cb 0.02 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.74 1ng0 n GLN 124 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1ng0 s THR 125 N -3.03 2.78 0.44 5.09 2.01 -0.34 -5.00 115.64 117.60 1ng0 s THR 125 Ca 0.08 0.46 0.02 0.00 0.31 0.00 0.00 61.69 62.56 1ng0 s THR 125 Cb 0.16 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.38 1ng0 s THR 125 CO 0.84 0.02 0.64 -1.81 -0.69 0.00 0.00 174.62 173.63 1ng0 s ASP 126 N 1.67 5.73 0.00 3.53 1.01 -1.26 -4.71 116.67 122.64 1ng0 s ASP 126 Ca 0.72 0.08 0.00 0.00 0.71 0.00 0.00 52.55 54.06 1ng0 s ASP 126 Cb -0.42 -1.28 0.00 0.00 1.01 0.00 0.00 42.92 42.23 1ng0 s ASP 126 CO 0.32 -0.74 0.00 0.61 0.21 0.00 0.00 175.17 175.57 1ng0 n GLY 127 N -2.03 1.40 3.20 0.21 0.00 -1.26 -4.84 105.19 101.87 1ng0 n GLY 127 Ca 0.03 -2.02 -0.12 0.00 0.00 0.00 0.00 46.02 43.91 1ng0 n GLY 127 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ng0 s SER 128 N 0.00 0.44 0.10 1.61 1.04 -1.26 -2.28 113.70 113.34 1ng0 s SER 128 Ca 0.00 -1.30 0.08 0.00 0.48 0.00 0.00 55.95 55.21 1ng0 s SER 128 Cb 0.00 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 1ng0 s SER 128 CO 0.00 -0.76 -0.14 -0.51 0.98 0.00 0.00 173.24 172.82 1ng0 s ILE 129 N -4.02 3.12 -0.03 -1.02 2.07 -0.08 -3.38 121.20 117.86 1ng0 s ILE 129 Ca 0.31 -1.32 0.02 0.00 -1.41 0.00 0.00 60.65 58.25 1ng0 s ILE 129 Cb 0.07 -2.43 0.01 0.00 0.13 0.00 0.00 42.46 40.25 1ng0 s ILE 129 CO 0.07 0.15 -0.06 -1.61 -1.91 0.00 0.00 174.94 171.58 1ng0 s GLU 130 N -2.05 0.82 0.07 3.50 2.02 -0.36 -2.37 118.70 120.32 1ng0 s GLU 130 Ca 0.19 -0.18 0.02 0.00 0.02 0.00 0.00 54.97 55.02 1ng0 s GLU 130 Cb -0.11 -0.79 -0.03 0.00 0.10 0.00 0.00 34.13 33.30 1ng0 s GLU 130 CO 0.11 0.01 -0.08 -1.64 0.02 0.00 0.00 175.26 173.68 1ng0 s MET 131 N 0.53 0.67 -0.04 1.61 -1.94 -0.43 -1.19 119.30 118.50 1ng0 s MET 131 Ca -0.07 -0.98 -0.30 0.00 -1.71 0.00 0.00 55.69 52.63 1ng0 s MET 131 Cb -0.11 -0.33 0.11 0.00 2.01 0.00 0.00 34.83 36.51 1ng0 s MET 131 CO 0.00 0.04 1.33 0.20 -0.01 0.00 0.00 175.02 176.59 1ng0 s GLY 132 N -2.09 -0.28 0.15 -0.03 0.00 -0.72 -1.57 107.32 102.78 1ng0 s GLY 132 Ca -0.02 0.40 0.10 0.00 0.00 0.00 0.00 44.72 45.20 1ng0 s GLY 132 CO -0.01 3.38 -0.22 -1.36 0.00 0.00 0.00 173.10 174.89 1ng0 s PHE 133 N -2.12 2.40 -0.21 1.90 0.08 0.04 -0.54 117.98 119.53 1ng0 s PHE 133 Ca 0.23 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 56.97 1ng0 s PHE 133 Cb 0.03 -1.24 0.03 0.00 -0.57 0.00 0.00 43.02 41.27 1ng0 s PHE 133 CO -0.03 0.42 -0.15 -0.51 -0.10 0.00 0.00 175.22 174.85 1ng0 s LEU 134 N -2.37 2.64 0.00 -0.37 1.43 0.59 -1.90 118.68 118.71 1ng0 s LEU 134 Ca 0.18 -0.87 0.26 0.00 -1.03 0.00 0.00 54.13 52.68 1ng0 s LEU 134 Cb -0.09 -1.53 0.75 0.00 0.03 0.00 0.00 46.19 45.35 1ng0 s LEU 134 CO 0.09 -0.07 1.58 0.18 0.23 0.00 0.00 176.35 178.37 1ng0 n LEU 135 N 4.58 0.38 -4.02 1.79 4.77 -1.26 -1.03 117.00 122.20 1ng0 n LEU 135 Ca -0.18 0.13 -0.30 0.00 -0.03 0.00 0.00 56.01 55.62 1ng0 n LEU 135 Cb 0.48 -0.31 -0.16 0.00 -2.33 0.00 0.00 43.42 41.09 1ng0 n LEU 135 CO 0.25 0.09 -0.49 -0.62 -1.33 0.00 0.00 177.39 175.29 1ng0 s ASP 136 N -2.96 2.81 0.63 -1.43 2.15 -1.26 -4.80 116.67 111.81 1ng0 s ASP 136 Ca 0.13 -0.55 0.37 0.00 0.43 0.00 0.00 52.55 52.93 1ng0 s ASP 136 Cb 0.18 -1.21 2.08 0.00 -0.30 0.00 0.00 42.92 43.67 1ng0 s ASP 136 CO 0.64 -0.06 2.27 0.22 -0.17 0.00 0.00 175.17 178.06 1ng0 h TYR 137 N 8.03 0.00 0.00 -5.34 3.20 -1.85 -1.06 116.97 119.95 1ng0 h TYR 137 Ca -0.38 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.49 1ng0 h TYR 137 Cb 1.13 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.40 1ng0 h TYR 137 CO 0.48 0.00 -0.13 0.00 -1.64 0.00 0.00 178.16 176.86 1ng0 h ALA 138 N 1.92 0.93 -2.81 1.82 0.00 -1.95 -3.46 119.26 115.72 1ng0 h ALA 138 Ca 0.01 -0.01 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 1ng0 h ALA 138 Cb 0.11 -0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.00 1ng0 h ALA 138 CO -0.00 0.01 0.50 -0.51 0.00 0.00 0.00 179.25 179.25 1ng0 s ASP 139 N -6.11 5.54 0.46 0.00 1.01 -0.40 -4.99 116.67 112.18 1ng0 s ASP 139 Ca 0.06 2.42 -0.10 0.00 0.71 0.00 0.00 52.55 55.64 1ng0 s ASP 139 Cb 0.06 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.33 1ng0 s ASP 139 CO 0.69 -1.36 0.83 -0.94 0.21 0.00 0.00 175.17 174.60 1ng0 s SER 140 N -1.42 6.43 -0.03 0.27 1.04 -1.26 -4.99 113.70 113.73 1ng0 s SER 140 Ca 0.72 1.16 -0.30 0.00 0.48 0.00 0.00 55.95 58.01 1ng0 s SER 140 Cb -0.31 -2.34 -0.03 0.00 0.10 0.00 0.00 66.02 63.44 1ng0 s SER 140 CO 0.36 -0.52 1.02 -0.69 0.98 0.00 0.00 173.24 174.38 1ng0 s VAL 141 N -2.59 4.75 0.41 5.02 1.01 -1.26 -5.00 120.40 122.74 1ng0 s VAL 141 Ca 0.51 1.99 -0.25 0.00 0.00 0.00 0.00 61.98 64.23 1ng0 s VAL 141 Cb -0.10 -4.27 -0.11 0.00 0.00 0.00 0.00 36.38 31.90 1ng0 s VAL 141 CO 0.38 0.10 1.11 -2.65 0.00 0.00 0.00 175.10 174.05 1ng0 n PRO 142 N 4.27 1.58 0.00 2.72 -0.02 -1.26 -4.93 135.00 137.37 1ng0 n PRO 142 Ca 0.07 0.56 0.01 0.00 -2.02 0.00 0.00 63.50 62.13 1ng0 n PRO 142 Cb 0.50 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1ng0 n PRO 142 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ng0 n THR 143 N -0.32 0.00 -3.98 3.45 -2.24 -1.26 -4.94 114.28 104.99 1ng0 n THR 143 Ca 0.08 -0.48 -0.09 0.00 -2.27 0.00 0.00 64.05 61.29 1ng0 n THR 143 Cb 0.39 1.04 -0.08 0.00 -2.10 0.00 0.00 70.33 69.58 1ng0 n THR 143 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ng0 s ASN 144 N -0.58 0.10 0.15 3.42 2.20 -1.26 -4.71 114.94 114.26 1ng0 s ASN 144 Ca 0.02 -0.89 -0.17 0.00 -0.94 0.00 0.00 52.86 50.88 1ng0 s ASN 144 Cb 0.02 0.39 0.03 0.00 -2.00 0.00 0.00 41.25 39.69 1ng0 s ASN 144 CO 0.06 -0.84 1.75 0.74 -2.94 0.00 0.00 177.10 175.87 1ng0 h THR 145 N 2.64 0.91 -0.82 0.54 2.02 -1.96 -1.47 112.91 114.77 1ng0 h THR 145 Ca -0.33 -0.08 0.17 0.00 0.77 0.00 0.00 66.41 66.95 1ng0 h THR 145 Cb 1.22 0.66 -0.11 0.00 -1.74 0.00 0.00 68.15 68.17 1ng0 h THR 145 CO 0.52 0.04 0.32 -0.09 0.37 0.00 0.00 175.52 176.68 1ng0 h ARG 146 N 0.24 0.40 0.00 6.66 2.43 -2.00 -0.92 114.38 121.19 1ng0 h ARG 146 Ca 0.14 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 1ng0 h ARG 146 Cb 0.11 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1ng0 h ARG 146 CO -0.14 0.27 -0.89 1.79 -1.51 0.00 0.00 179.97 179.48 1ng0 h THR 147 N 0.41 0.31 -0.43 0.20 1.35 -1.94 -3.30 112.91 109.51 1ng0 h THR 147 Ca 0.47 -1.52 -0.11 0.00 -0.55 0.00 0.00 66.41 64.70 1ng0 h THR 147 Cb 0.80 1.90 -0.02 0.00 -1.73 0.00 0.00 68.15 69.11 1ng0 h THR 147 CO -0.47 0.17 -0.17 0.24 -0.25 0.00 0.00 175.52 175.05 1ng0 h MET 148 N 0.00 0.82 0.00 4.72 2.86 -0.39 -2.57 114.93 120.36 1ng0 h MET 148 Ca -0.05 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 1ng0 h MET 148 Cb 1.25 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.86 1ng0 h MET 148 CO 0.03 0.93 0.12 0.00 1.06 0.00 0.00 176.91 179.04 1ng0 h ALA 149 N 1.08 1.11 -0.04 6.32 0.00 -1.28 -0.48 119.26 125.97 1ng0 h ALA 149 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ng0 h ALA 149 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ng0 h ALA 149 CO 0.05 -0.11 0.00 0.43 0.00 0.00 0.00 179.25 179.62 1ng0 n SER 150 N -2.87 2.06 -4.71 0.00 7.64 -0.97 -4.81 113.62 109.96 1ng0 n SER 150 Ca -0.02 -1.69 -0.29 0.00 1.01 0.00 0.00 58.87 57.88 1ng0 n SER 150 Cb 0.17 -0.01 0.16 0.00 -1.01 0.00 0.00 64.21 63.52 1ng0 n SER 150 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ng0 s SER 151 N -1.96 3.01 0.15 6.43 1.04 -0.19 -4.97 113.70 117.21 1ng0 s SER 151 Ca 0.34 1.20 -0.30 0.00 0.48 0.00 0.00 55.95 57.67 1ng0 s SER 151 Cb 0.21 -1.85 -0.07 0.00 0.10 0.00 0.00 66.02 64.40 1ng0 s SER 151 CO 0.32 -2.89 1.13 -0.89 0.98 0.00 0.00 173.24 171.88 1ng0 s THR 152 N -3.03 3.89 -1.51 2.02 2.01 -0.80 -3.24 115.64 114.98 1ng0 s THR 152 Ca 0.64 1.55 -0.04 0.00 0.31 0.00 0.00 61.69 64.15 1ng0 s THR 152 Cb -0.18 -3.99 0.02 0.00 0.01 0.00 0.00 72.50 68.36 1ng0 s THR 152 CO 0.56 0.23 0.45 -1.20 -0.69 0.00 0.00 174.62 173.98 1ng0 n SER 153 N 2.73 -5.53 -4.73 3.53 7.64 -1.26 -0.78 113.62 115.22 1ng0 n SER 153 Ca 0.04 -0.23 -0.41 0.00 1.01 0.00 0.00 58.87 59.28 1ng0 n SER 153 Cb 0.46 -4.51 0.01 0.00 -1.01 0.00 0.00 64.21 59.16 1ng0 n SER 153 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1ng0 n PHE 154 N -4.26 2.44 -3.68 1.43 7.35 -1.20 -4.54 117.46 115.00 1ng0 n PHE 154 Ca -0.12 0.48 -0.12 0.00 -0.76 0.00 0.00 57.45 56.93 1ng0 n PHE 154 Cb 0.62 -2.43 -0.06 0.00 0.35 0.00 0.00 39.48 37.96 1ng0 n PHE 154 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 1ng0 s THR 155 N -1.17 0.06 0.16 -2.13 -1.32 -0.61 -5.00 115.64 105.62 1ng0 s THR 155 Ca 0.59 -0.52 -0.17 0.00 -1.21 0.00 0.00 61.69 60.38 1ng0 s THR 155 Cb -0.49 -0.97 0.03 0.00 -1.51 0.00 0.00 72.50 69.56 1ng0 s THR 155 CO 0.59 -0.29 0.46 0.28 -2.21 0.00 0.00 174.62 173.46 1ng0 s THR 156 N -2.63 0.05 -0.19 5.08 -1.32 -1.26 -1.31 115.64 114.05 1ng0 s THR 156 Ca -0.04 -0.65 -0.36 0.00 -1.21 0.00 0.00 61.69 59.43 1ng0 s THR 156 Cb -0.01 -1.35 0.15 0.00 -1.51 0.00 0.00 72.50 69.78 1ng0 s THR 156 CO -0.04 -0.21 1.32 -0.55 -2.21 0.00 0.00 174.62 172.93 1ng0 s SER 157 N -2.83 -0.06 0.92 8.08 0.15 -1.00 -4.99 113.70 113.97 1ng0 s SER 157 Ca 0.06 -0.02 -0.10 0.00 0.70 0.00 0.00 55.95 56.59 1ng0 s SER 157 Cb 0.01 0.08 0.15 0.00 -1.71 0.00 0.00 66.02 64.54 1ng0 s SER 157 CO -0.08 -0.13 1.14 0.54 1.20 0.00 0.00 173.24 175.91 1ng0 s ASN 158 N -2.32 2.93 0.46 5.45 2.20 -1.26 -0.90 114.94 121.48 1ng0 s ASN 158 Ca 0.12 2.13 0.25 0.00 -0.94 0.00 0.00 52.86 54.42 1ng0 s ASN 158 Cb 0.01 -2.55 0.95 0.00 -2.00 0.00 0.00 41.25 37.66 1ng0 s ASN 158 CO -0.04 -3.09 1.83 0.58 -2.94 0.00 0.00 177.10 173.45 1ng0 h VAL 159 N -1.86 0.45 -0.02 3.54 2.07 -1.75 -3.29 116.25 115.38 1ng0 h VAL 159 Ca -0.44 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.03 1ng0 h VAL 159 Cb 1.27 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 1ng0 h VAL 159 CO 0.43 0.18 -0.28 -2.67 0.02 0.00 0.00 177.57 175.25 1ng0 n TRP 160 N -3.32 0.00 -3.33 1.57 4.27 -1.26 -4.66 117.44 110.70 1ng0 n TRP 160 Ca 0.00 0.00 -0.22 0.00 -3.89 0.00 0.00 57.50 53.40 1ng0 n TRP 160 Cb 0.42 0.00 0.03 0.00 -1.36 0.00 0.00 31.31 30.40 1ng0 n TRP 160 CO 0.00 0.00 0.00 0.20 -2.29 0.00 0.00 177.69 175.60 1ng0 s GLY 161 N -2.25 1.97 0.00 -1.67 0.00 -1.24 -4.76 107.32 99.37 1ng0 s GLY 161 Ca 0.22 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 43.12 1ng0 s GLY 161 CO 0.45 -1.75 0.00 0.61 0.00 0.00 0.00 173.10 172.41 1ng0 n GLY 162 N -2.02 1.52 0.32 0.20 0.00 -1.25 -4.37 105.19 99.58 1ng0 n GLY 162 Ca 0.09 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.19 1ng0 n GLY 162 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ng0 h GLY 163 N 0.00 0.39 1.89 -0.02 0.00 -1.88 -1.42 103.07 102.03 1ng0 h GLY 163 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1ng0 h GLY 163 CO 0.00 0.11 0.00 1.22 0.00 0.00 0.00 176.54 177.87 1ng0 n ASP 164 N -4.48 0.00 0.04 0.19 8.00 -1.26 -1.82 116.55 117.22 1ng0 n ASP 164 Ca 0.04 0.44 0.12 0.00 0.71 0.00 0.00 54.79 56.10 1ng0 n ASP 164 Cb 0.20 -0.44 0.26 0.00 -0.02 0.00 0.00 41.12 41.12 1ng0 n ASP 164 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ng0 n GLY 165 N -1.25 -1.41 0.35 0.44 0.00 -0.54 -4.23 105.19 98.56 1ng0 n GLY 165 Ca 0.01 -0.24 0.07 0.00 0.00 0.00 0.00 46.02 45.86 1ng0 n GLY 165 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ng0 h SER 166 N 0.00 0.64 0.60 1.61 4.64 -1.55 -0.96 113.55 118.54 1ng0 h SER 166 Ca 0.00 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1ng0 h SER 166 Cb 0.65 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1ng0 h SER 166 CO 0.00 0.41 -0.11 0.77 -0.87 0.00 0.00 176.83 177.03 1ng0 h SER 167 N 0.73 0.00 0.20 4.97 4.64 -1.82 -2.52 113.55 119.76 1ng0 h SER 167 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1ng0 h SER 167 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1ng0 h SER 167 CO -0.11 0.11 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1ng0 n LEU 168 N -3.39 0.00 0.11 5.97 4.77 -0.36 -1.88 117.00 122.22 1ng0 n LEU 168 Ca -0.01 0.49 0.13 0.00 -0.03 0.00 0.00 56.01 56.59 1ng0 n LEU 168 Cb 0.28 -0.49 0.35 0.00 -2.33 0.00 0.00 43.42 41.23 1ng0 n LEU 168 CO 0.29 -0.39 0.79 -0.07 -1.33 0.00 0.00 177.39 176.68 1ng0 h LEU 169 N 0.00 0.00 -0.24 2.23 3.38 -1.59 -3.32 115.31 115.76 1ng0 h LEU 169 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ng0 h LEU 169 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1ng0 h LEU 169 CO 0.00 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.55 1ng0 n HIS 170 N -2.32 0.00 -2.89 1.13 1.44 -1.01 -4.75 115.22 106.82 1ng0 n HIS 170 Ca 0.05 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.75 1ng0 n HIS 170 Cb 0.44 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.56 1ng0 n HIS 170 CO 0.00 0.00 0.00 -2.37 -2.81 0.00 0.00 176.34 171.16 1ng0 n THR 171 N -0.25 0.00 -1.33 0.61 5.66 -0.78 -5.03 114.28 113.16 1ng0 n THR 171 Ca 0.00 -0.09 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 1ng0 n THR 171 Cb 0.06 -1.03 0.00 0.00 -1.55 0.00 0.00 70.33 67.81 1ng0 n THR 171 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1ng0 n SER 172 N -2.97 0.00 -2.81 1.09 2.88 -1.26 -4.89 113.62 105.65 1ng0 n SER 172 Ca 0.01 -1.16 -0.08 0.00 -1.33 0.00 0.00 58.87 56.31 1ng0 n SER 172 Cb 0.03 -0.03 0.07 0.00 -0.75 0.00 0.00 64.21 63.52 1ng0 n SER 172 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1ng0 n MET 173 N 0.00 -1.71 -4.08 -1.46 2.81 -1.26 -5.04 117.12 106.37 1ng0 n MET 173 Ca 0.00 -0.45 -0.30 0.00 -1.81 0.00 0.00 57.70 55.14 1ng0 n MET 173 Cb 0.53 -0.44 -0.07 0.00 -0.71 0.00 0.00 33.22 32.54 1ng0 n MET 173 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1ng0 s LYS 174 N -3.64 2.75 -0.22 0.03 1.02 -1.26 -5.03 119.74 113.39 1ng0 s LYS 174 Ca 0.18 -0.76 -0.38 0.00 0.02 0.00 0.00 55.97 55.04 1ng0 s LYS 174 Cb -0.02 -2.65 -0.14 0.00 -0.52 0.00 0.00 37.83 34.50 1ng0 s LYS 174 CO 0.14 0.55 1.82 0.45 -0.92 0.00 0.00 175.35 177.39 1ng0 n SER 175 N 0.46 2.75 -3.78 2.83 2.88 -1.26 -4.96 113.62 112.53 1ng0 n SER 175 Ca -0.09 1.01 -0.09 0.00 -1.33 0.00 0.00 58.87 58.36 1ng0 n SER 175 Cb 0.52 -1.22 -0.06 0.00 -0.75 0.00 0.00 64.21 62.70 1ng0 n SER 175 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ng0 s MET 176 N 3.89 0.99 2.84 -1.46 0.23 -1.26 -5.01 119.30 119.52 1ng0 s MET 176 Ca 0.97 -0.89 0.00 0.00 -1.03 0.00 0.00 55.69 54.74 1ng0 s MET 176 Cb -0.93 0.40 0.00 0.00 -1.53 0.00 0.00 34.83 32.77 1ng0 s MET 176 CO 0.60 -0.36 0.00 0.41 -2.03 0.00 0.00 175.02 173.65 1ng0 n GLY 177 N -0.16 0.09 0.60 3.16 0.00 -1.26 -3.39 105.19 104.23 1ng0 n GLY 177 Ca -0.14 -1.16 0.05 0.00 0.00 0.00 0.00 46.02 44.77 1ng0 n GLY 177 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ng0 n ASN 178 N 2.06 1.74 -4.65 1.61 0.23 -1.26 -4.94 115.26 110.06 1ng0 n ASN 178 Ca 0.00 -2.00 -0.45 0.00 -0.53 0.00 0.00 54.58 51.60 1ng0 n ASN 178 Cb 0.00 -0.22 -0.02 0.00 -2.08 0.00 0.00 39.78 37.46 1ng0 n ASN 178 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ng0 n ALA 179 N 0.45 0.70 -3.46 -2.53 0.00 -1.22 -3.97 120.51 110.48 1ng0 n ALA 179 Ca 0.11 0.40 -0.38 0.00 0.00 0.00 0.00 53.44 53.57 1ng0 n ALA 179 Cb 0.28 -2.19 -0.11 0.00 0.00 0.00 0.00 19.45 17.42 1ng0 n ALA 179 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ng0 s VAL 180 N -0.51 3.79 0.06 0.00 1.01 -1.26 -4.82 120.40 118.67 1ng0 s VAL 180 Ca 0.64 -1.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.06 1ng0 s VAL 180 Cb -0.66 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1ng0 s VAL 180 CO 0.55 -0.48 -0.04 0.42 0.00 0.00 0.00 175.10 175.55 1ng0 s THR 181 N 1.33 0.35 -0.14 3.92 -4.23 -1.26 -1.17 115.64 114.43 1ng0 s THR 181 Ca 0.03 -1.85 -0.04 0.00 -1.18 0.00 0.00 61.69 58.65 1ng0 s THR 181 Cb -0.22 -1.57 0.06 0.00 1.34 0.00 0.00 72.50 72.11 1ng0 s THR 181 CO 0.00 -0.96 0.15 -0.55 -0.54 0.00 0.00 174.62 172.72 1ng0 s SER 182 N -2.96 1.46 -0.20 3.99 0.15 -0.51 -4.71 113.70 110.92 1ng0 s SER 182 Ca 0.09 -0.15 -0.04 0.00 0.70 0.00 0.00 55.95 56.54 1ng0 s SER 182 Cb 0.07 0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.48 1ng0 s SER 182 CO -0.08 -0.30 -0.02 0.00 1.20 0.00 0.00 173.24 174.04 1ng0 s ALA 183 N 2.25 2.95 0.08 5.45 0.00 -1.26 -1.14 121.76 130.09 1ng0 s ALA 183 Ca 0.04 -1.02 -0.31 0.00 0.00 0.00 0.00 51.96 50.67 1ng0 s ALA 183 Cb -0.14 -1.72 -0.08 0.00 0.00 0.00 0.00 23.12 21.18 1ng0 s ALA 183 CO -0.08 -0.18 1.51 -1.17 0.00 0.00 0.00 175.76 175.83 1ng0 s LEU 184 N 1.06 4.36 -0.70 0.00 2.96 0.24 -4.77 118.68 121.82 1ng0 s LEU 184 Ca 0.02 2.38 -0.26 0.00 -0.22 0.00 0.00 54.13 56.05 1ng0 s LEU 184 Cb -0.14 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 1ng0 s LEU 184 CO 0.01 -0.77 1.89 -2.84 -1.32 0.00 0.00 176.35 173.32 1ng0 s PRO 185 N 1.90 2.60 0.00 0.98 0.02 -1.26 -4.45 135.00 134.79 1ng0 s PRO 185 Ca 0.68 0.34 0.28 0.00 0.02 0.00 0.00 61.00 62.32 1ng0 s PRO 185 Cb -0.38 -4.59 1.40 0.00 0.02 0.00 0.00 34.50 30.95 1ng0 s PRO 185 CO 0.30 -2.93 1.97 0.00 -0.33 0.00 0.00 177.00 176.01 1ng0 n ASP 187 N -1.31 0.46 0.13 0.00 3.85 -1.26 -0.98 116.55 117.43 1ng0 n ASP 187 Ca 0.13 0.71 -0.01 0.00 -0.71 0.00 0.00 54.79 54.90 1ng0 n ASP 187 Cb 0.24 -0.77 0.23 0.00 -1.35 0.00 0.00 41.12 39.47 1ng0 n ASP 187 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1ng0 h GLU 188 N 0.00 0.11 -0.52 0.11 4.81 -1.96 -3.19 114.58 113.95 1ng0 h GLU 188 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1ng0 h GLU 188 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1ng0 h GLU 188 CO 0.00 0.58 0.00 1.19 -0.73 0.00 0.00 179.01 180.05 1ng0 n PHE 189 N -3.96 0.69 0.21 0.92 3.01 -0.15 -4.59 117.46 113.59 1ng0 n PHE 189 Ca -0.02 -0.44 0.12 0.00 1.01 0.00 0.00 57.45 58.12 1ng0 n PHE 189 Cb 0.52 -0.01 0.65 0.00 -0.01 0.00 0.00 39.48 40.63 1ng0 n PHE 189 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1ng0 h SER 190 N 3.41 0.00 -0.21 4.37 4.64 -1.53 -1.66 113.55 122.57 1ng0 h SER 190 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ng0 h SER 190 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1ng0 h SER 190 CO 0.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.55 1ng0 n ASN 191 N -2.41 2.48 -4.33 4.97 3.02 -1.26 -5.04 115.26 112.69 1ng0 n ASN 191 Ca -0.02 -1.87 -0.17 0.00 -0.03 0.00 0.00 54.58 52.49 1ng0 n ASN 191 Cb 0.17 -0.14 -0.10 0.00 -0.61 0.00 0.00 39.78 39.10 1ng0 n ASN 191 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1ng0 s LYS 192 N -0.94 1.39 -0.06 3.52 -2.85 -0.63 -5.14 119.74 115.02 1ng0 s LYS 192 Ca 0.15 -1.73 0.04 0.00 -1.00 0.00 0.00 55.97 53.43 1ng0 s LYS 192 Cb 0.08 -0.46 0.00 0.00 -2.06 0.00 0.00 37.83 35.39 1ng0 s LYS 192 CO 0.11 -0.20 -0.17 -1.58 0.10 0.00 0.00 175.35 173.61 1ng0 s TRP 193 N -3.57 1.84 0.04 1.78 0.52 -1.26 -4.75 118.94 113.54 1ng0 s TRP 193 Ca 0.33 -0.63 -0.00 0.00 0.02 0.00 0.00 56.10 55.82 1ng0 s TRP 193 Cb 0.07 -1.26 -0.04 0.00 -1.15 0.00 0.00 33.47 31.09 1ng0 s TRP 193 CO 0.11 -0.25 0.17 -0.06 0.02 0.00 0.00 176.95 176.94 1ng0 s PHE 194 N 0.27 3.44 -0.19 -1.98 0.40 0.10 -4.88 117.98 115.14 1ng0 s PHE 194 Ca -0.10 0.24 -0.22 0.00 -0.60 0.00 0.00 56.93 56.25 1ng0 s PHE 194 Cb -0.14 -1.75 -0.02 0.00 0.51 0.00 0.00 43.02 41.62 1ng0 s PHE 194 CO 0.04 0.59 0.68 0.15 0.70 0.00 0.00 175.22 177.38 1ng0 s LYS 195 N -2.27 4.23 0.09 0.44 -0.14 -1.26 -0.76 119.74 120.07 1ng0 s LYS 195 Ca 0.31 0.72 -0.31 0.00 -1.36 0.00 0.00 55.97 55.33 1ng0 s LYS 195 Cb -0.13 -3.58 -0.10 0.00 -1.68 0.00 0.00 37.83 32.35 1ng0 s LYS 195 CO 0.23 -0.26 1.84 -0.51 -0.76 0.00 0.00 175.35 175.89 1ng0 s LEU 196 N 1.97 4.40 0.03 3.17 1.43 -0.62 -4.96 118.68 124.10 1ng0 s LEU 196 Ca 0.31 2.69 0.08 0.00 -1.03 0.00 0.00 54.13 56.18 1ng0 s LEU 196 Cb -0.16 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 1ng0 s LEU 196 CO 0.11 -1.00 -0.21 -0.55 0.23 0.00 0.00 176.35 174.93 1ng0 s SER 197 N 3.11 3.56 0.00 2.29 0.15 -1.26 -4.61 113.70 116.94 1ng0 s SER 197 Ca 0.82 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.01 1ng0 s SER 197 Cb -0.44 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.36 1ng0 s SER 197 CO 0.37 0.27 0.58 0.79 1.20 0.00 0.00 173.24 176.45 1ng0 n TRP 198 N 1.76 0.00 -3.96 3.44 7.02 -1.26 -4.70 117.44 119.74 1ng0 n TRP 198 Ca -0.16 -0.08 -0.24 0.00 -1.02 0.00 0.00 57.50 55.99 1ng0 n TRP 198 Cb 0.52 -0.01 -0.03 0.00 -2.42 0.00 0.00 31.31 29.37 1ng0 n TRP 198 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1ng0 s SER 199 N -0.17 6.27 0.13 -0.99 1.04 -1.26 -5.08 113.70 113.65 1ng0 s SER 199 Ca 0.00 0.11 -0.25 0.00 0.48 0.00 0.00 55.95 56.29 1ng0 s SER 199 Cb 0.00 -1.86 -0.07 0.00 0.10 0.00 0.00 66.02 64.19 1ng0 s SER 199 CO 0.00 0.01 0.78 -0.89 0.98 0.00 0.00 173.24 174.12 1ng0 s THR 200 N -1.83 4.47 0.17 2.02 2.01 -1.26 -4.98 115.64 116.23 1ng0 s THR 200 Ca 0.34 1.69 -0.34 0.00 0.31 0.00 0.00 61.69 63.70 1ng0 s THR 200 Cb -0.10 -4.14 -0.15 0.00 0.01 0.00 0.00 72.50 68.12 1ng0 s THR 200 CO 0.28 0.48 1.37 -2.65 -0.69 0.00 0.00 174.62 173.42 1ng0 n PRO 201 N 1.94 1.63 -0.67 4.92 -0.02 -1.26 -4.90 135.00 136.63 1ng0 n PRO 201 Ca -0.05 0.59 -0.31 0.00 -2.02 0.00 0.00 63.50 61.71 1ng0 n PRO 201 Cb 0.49 -2.23 0.17 0.00 -0.02 0.00 0.00 33.50 31.91 1ng0 n PRO 201 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1ng0 n GLU 202 N 2.44 -0.74 0.03 -0.52 4.07 -1.26 -4.93 120.64 119.72 1ng0 n GLU 202 Ca 0.15 -0.16 -0.19 0.00 -0.06 0.00 0.00 57.16 56.90 1ng0 n GLU 202 Cb 0.26 -2.20 -0.11 0.00 -0.06 0.00 0.00 31.44 29.33 1ng0 n GLU 202 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1ng0 h GLU 203 N -1.94 0.50 0.00 5.31 4.39 -2.04 -3.23 114.58 117.57 1ng0 h GLU 203 Ca -0.46 -0.57 0.00 0.00 0.34 0.00 0.00 59.36 58.67 1ng0 h GLU 203 Cb 1.28 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 30.11 1ng0 h GLU 203 CO 0.40 1.20 0.00 -1.13 -1.16 0.00 0.00 179.01 178.33 1ng0 n SER 204 N -4.07 0.00 -4.74 1.42 3.41 -1.26 -4.88 113.62 103.50 1ng0 n SER 204 Ca -0.11 0.06 -0.41 0.00 -0.26 0.00 0.00 58.87 58.14 1ng0 n SER 204 Cb 0.77 -0.34 -0.02 0.00 -0.26 0.00 0.00 64.21 64.36 1ng0 n SER 204 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1ng0 s GLU 205 N -2.68 4.29 0.13 4.33 2.12 -1.22 -4.94 118.70 120.73 1ng0 s GLU 205 Ca 0.22 2.25 -0.31 0.00 0.36 0.00 0.00 54.97 57.49 1ng0 s GLU 205 Cb 0.17 -3.12 -0.09 0.00 0.26 0.00 0.00 34.13 31.35 1ng0 s GLU 205 CO 0.41 -0.38 1.55 1.21 -0.54 0.00 0.00 175.26 177.52 1ng0 s ASN 206 N 0.32 6.64 0.28 -1.70 3.84 -1.26 -4.89 114.94 118.17 1ng0 s ASN 206 Ca 0.58 2.52 0.02 0.00 0.21 0.00 0.00 52.86 56.19 1ng0 s ASN 206 Cb -0.41 -2.58 0.66 0.00 -0.55 0.00 0.00 41.25 38.37 1ng0 s ASN 206 CO 0.43 -0.81 1.72 0.00 -2.79 0.00 0.00 177.10 175.65 1ng0 h ALA 207 N 7.22 1.40 -0.95 1.71 0.00 -1.92 0.11 119.26 126.83 1ng0 h ALA 207 Ca -0.42 0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.67 1ng0 h ALA 207 Cb 1.20 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 1ng0 h ALA 207 CO 0.91 -0.24 0.61 0.45 0.00 0.00 0.00 179.25 180.98 1ng0 h HIS 208 N 0.50 1.13 -0.22 0.00 3.86 -1.92 -0.27 115.15 118.23 1ng0 h HIS 208 Ca 0.53 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.73 1ng0 h HIS 208 Cb 0.91 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 1ng0 h HIS 208 CO -0.11 0.61 -0.01 1.25 0.86 0.00 0.00 177.93 180.53 1ng0 h LEU 209 N 1.13 0.39 -1.32 2.43 5.85 -1.18 -2.86 115.31 119.76 1ng0 h LEU 209 Ca 0.40 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.83 1ng0 h LEU 209 Cb 0.10 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1ng0 h LEU 209 CO -0.15 0.62 0.48 0.74 -0.34 0.00 0.00 178.44 179.79 1ng0 h THR 210 N 0.15 1.11 -0.28 1.05 2.02 -0.88 -1.38 112.91 114.69 1ng0 h THR 210 Ca 0.06 -0.31 0.08 0.00 0.77 0.00 0.00 66.41 67.01 1ng0 h THR 210 Cb 0.43 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 1ng0 h THR 210 CO 0.01 0.16 0.21 -0.78 0.37 0.00 0.00 175.52 175.49 1ng0 h ASP 211 N 0.89 0.00 0.53 4.18 3.58 -0.82 -2.24 116.42 122.54 1ng0 h ASP 211 Ca 0.29 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.73 1ng0 h ASP 211 Cb 0.05 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 1ng0 h ASP 211 CO -0.08 0.00 -0.07 0.71 -2.88 0.00 0.00 179.24 176.92 1ng0 h THR 212 N 0.00 0.29 0.00 2.25 1.35 -1.21 -3.11 112.91 112.48 1ng0 h THR 212 Ca 0.13 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1ng0 h THR 212 Cb 0.54 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1ng0 h THR 212 CO -0.00 0.07 -0.00 0.00 -0.25 0.00 0.00 175.52 175.34 1ng0 n TYR 213 N -3.35 0.00 -4.03 4.73 0.18 -0.87 -4.92 117.16 108.90 1ng0 n TYR 213 Ca -0.01 -0.43 -0.32 0.00 1.88 0.00 0.00 57.90 59.02 1ng0 n TYR 213 Cb 0.24 -0.04 -0.15 0.00 -0.38 0.00 0.00 39.34 39.01 1ng0 n TYR 213 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1ng0 s VAL 214 N -0.89 2.28 0.23 -3.48 1.01 -1.04 -4.87 120.40 113.64 1ng0 s VAL 214 Ca 0.01 -1.97 -0.09 0.00 0.00 0.00 0.00 61.98 59.93 1ng0 s VAL 214 Cb 0.01 -2.51 0.23 0.00 0.00 0.00 0.00 36.38 34.11 1ng0 s VAL 214 CO 0.00 -0.31 1.66 -0.65 0.00 0.00 0.00 175.10 175.79 1ng0 h PRO 215 N 7.71 0.13 -1.87 2.72 0.11 -1.82 -3.45 132.00 135.52 1ng0 h PRO 215 Ca -0.12 -0.01 0.27 0.00 0.11 0.00 0.00 66.00 66.26 1ng0 h PRO 215 Cb 1.03 -0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.02 1ng0 h PRO 215 CO 0.50 0.08 0.72 0.00 -0.21 0.00 0.00 178.00 179.09 1ng0 s ALA 216 N -6.13 -2.04 -0.03 -0.75 0.00 -1.26 -4.81 121.76 106.73 1ng0 s ALA 216 Ca -0.13 0.36 0.07 0.00 0.00 0.00 0.00 51.96 52.25 1ng0 s ALA 216 Cb 0.20 0.54 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 1ng0 s ALA 216 CO 0.75 -1.06 -0.24 1.03 0.00 0.00 0.00 175.76 176.24 1ng0 s ARG 217 N -2.57 2.26 -0.17 0.00 0.52 -0.20 -1.20 118.95 117.59 1ng0 s ARG 217 Ca 0.16 -0.88 -0.07 0.00 -0.52 0.00 0.00 55.73 54.42 1ng0 s ARG 217 Cb 0.02 -2.13 -0.04 0.00 0.52 0.00 0.00 34.95 33.32 1ng0 s ARG 217 CO -0.01 0.54 0.06 0.12 0.02 0.00 0.00 175.30 176.03 1ng0 s PHE 218 N -0.56 3.25 -0.06 -0.53 5.36 0.12 -0.30 117.98 125.27 1ng0 s PHE 218 Ca 0.08 0.08 0.06 0.00 -0.96 0.00 0.00 56.93 56.19 1ng0 s PHE 218 Cb -0.11 -2.05 -0.01 0.00 -0.34 0.00 0.00 43.02 40.51 1ng0 s PHE 218 CO -0.00 0.19 -0.24 0.08 -1.46 0.00 0.00 175.22 173.79 1ng0 s VAL 219 N 0.24 2.17 -0.07 3.12 1.01 0.30 -0.40 120.40 126.76 1ng0 s VAL 219 Ca 0.04 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1ng0 s VAL 219 Cb -0.12 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.49 1ng0 s VAL 219 CO 0.00 0.57 -0.10 -0.69 0.00 0.00 0.00 175.10 174.89 1ng0 s VAL 220 N -0.24 1.01 0.07 2.92 1.01 -0.27 -1.75 120.40 123.16 1ng0 s VAL 220 Ca -0.01 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 1ng0 s VAL 220 Cb -0.13 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1ng0 s VAL 220 CO 0.03 0.34 0.06 0.00 0.00 0.00 0.00 175.10 175.53 1ng0 s ARG 221 N 0.91 0.73 0.23 2.72 1.70 -0.33 -0.40 118.95 124.50 1ng0 s ARG 221 Ca -0.10 -1.15 0.05 0.00 -0.47 0.00 0.00 55.73 54.06 1ng0 s ARG 221 Cb -0.15 0.26 -0.03 0.00 -0.57 0.00 0.00 34.95 34.46 1ng0 s ARG 221 CO 0.01 -0.19 0.33 0.45 -1.08 0.00 0.00 175.30 174.82 1ng0 s SER 222 N -2.91 6.22 -0.01 -2.89 0.15 -1.26 -1.23 113.70 111.76 1ng0 s SER 222 Ca 0.08 0.05 0.12 0.00 0.70 0.00 0.00 55.95 56.90 1ng0 s SER 222 Cb 0.07 -1.81 -0.18 0.00 -1.71 0.00 0.00 66.02 62.39 1ng0 s SER 222 CO -0.09 -0.05 0.29 -0.90 1.20 0.00 0.00 173.24 173.70 1ng0 n ASP 223 N -1.23 2.03 -4.26 5.45 5.75 -1.22 -4.86 116.55 118.21 1ng0 n ASP 223 Ca -0.09 -0.09 -0.44 0.00 -0.01 0.00 0.00 54.79 54.16 1ng0 n ASP 223 Cb 0.57 1.49 -0.05 0.00 -1.03 0.00 0.00 41.12 42.09 1ng0 n ASP 223 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1ng0 s PHE 224 N -2.75 3.56 0.21 2.11 5.36 -1.26 -5.01 117.98 120.20 1ng0 s PHE 224 Ca -0.03 -2.01 -0.31 0.00 -0.96 0.00 0.00 56.93 53.61 1ng0 s PHE 224 Cb 0.08 -3.64 -0.11 0.00 -0.34 0.00 0.00 43.02 39.00 1ng0 s PHE 224 CO 0.50 -0.97 1.63 -2.14 -1.46 0.00 0.00 175.22 172.79 1ng0 s PRO 225 N 0.52 4.16 0.31 10.12 0.02 -1.26 -4.95 135.00 143.92 1ng0 s PRO 225 Ca 0.14 2.51 0.03 0.00 0.02 0.00 0.00 61.00 63.69 1ng0 s PRO 225 Cb -0.18 -3.09 -0.03 0.00 0.02 0.00 0.00 34.50 31.23 1ng0 s PRO 225 CO -0.05 -0.66 0.47 0.08 -0.33 0.00 0.00 177.00 176.51 1ng0 s VAL 226 N 0.86 5.00 -0.13 3.83 1.01 -1.05 -5.03 120.40 124.90 1ng0 s VAL 226 Ca 0.70 -0.72 -0.24 0.00 0.00 0.00 0.00 61.98 61.71 1ng0 s VAL 226 Cb -0.47 -3.80 -0.26 0.00 0.00 0.00 0.00 36.38 31.85 1ng0 s VAL 226 CO 0.36 -0.42 0.68 0.58 0.00 0.00 0.00 175.10 176.29 1ng0 h VAL 227 N 0.91 1.48 -3.32 2.92 2.07 -1.93 -3.34 116.25 115.04 1ng0 h VAL 227 Ca -0.50 -2.37 -0.66 0.00 0.82 0.00 0.00 66.70 63.99 1ng0 h VAL 227 Cb 1.23 3.06 -0.28 0.00 -1.52 0.00 0.00 31.29 33.79 1ng0 h VAL 227 CO 0.60 0.60 -0.77 -0.89 0.02 0.00 0.00 177.57 177.12 1ng0 s THR 228 N -2.33 2.96 0.39 2.57 2.01 -1.26 -4.85 115.64 115.13 1ng0 s THR 228 Ca -0.20 -0.69 -0.27 0.00 0.31 0.00 0.00 61.69 60.84 1ng0 s THR 228 Cb 0.00 -2.24 -0.11 0.00 0.01 0.00 0.00 72.50 70.17 1ng0 s THR 228 CO 0.72 0.52 1.41 0.00 -0.69 0.00 0.00 174.62 176.58 1ng0 n ALA 229 N 3.60 1.97 -3.32 7.40 0.00 -1.26 -4.90 120.51 123.99 1ng0 n ALA 229 Ca -0.18 0.32 -0.12 0.00 0.00 0.00 0.00 53.44 53.46 1ng0 n ALA 229 Cb 0.53 -2.36 -0.01 0.00 0.00 0.00 0.00 19.45 17.60 1ng0 n ALA 229 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1ng0 s ASP 230 N -0.28 0.48 -0.41 0.00 -4.77 -1.02 -5.00 116.67 105.67 1ng0 s ASP 230 Ca 0.56 -1.31 0.02 0.00 -3.30 0.00 0.00 52.55 48.52 1ng0 s ASP 230 Cb -0.49 0.75 0.15 0.00 -1.09 0.00 0.00 42.92 42.24 1ng0 s ASP 230 CO 0.62 -1.47 0.28 -1.58 0.70 0.00 0.00 175.17 173.71 1ng0 s GLN 231 N -2.75 0.93 0.58 2.11 0.74 -1.26 -1.16 119.66 118.85 1ng0 s GLN 231 Ca 0.23 -1.86 0.30 0.00 0.05 0.00 0.00 55.36 54.08 1ng0 s GLN 231 Cb -0.03 -1.66 1.77 0.00 1.10 0.00 0.00 33.01 34.19 1ng0 s GLN 231 CO 0.16 -1.27 2.21 -1.35 -0.55 0.00 0.00 175.29 174.49 1ng0 h PRO 232 N 6.35 0.00 0.00 1.67 0.11 -1.93 -3.46 132.00 134.74 1ng0 h PRO 232 Ca 0.13 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.28 1ng0 h PRO 232 Cb 0.93 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 1ng0 h PRO 232 CO 0.37 0.04 0.31 0.41 -0.21 0.00 0.00 178.00 178.92 1ng0 n GLY 233 N -1.10 1.03 3.53 -0.55 0.00 -1.26 -1.22 105.19 105.61 1ng0 n GLY 233 Ca -0.03 -1.15 -0.28 0.00 0.00 0.00 0.00 46.02 44.57 1ng0 n GLY 233 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ng0 s HIS 234 N -3.55 2.59 -0.29 1.61 3.76 0.80 -0.73 115.29 119.47 1ng0 s HIS 234 Ca 0.14 -0.24 -0.07 0.00 -0.15 0.00 0.00 55.06 54.75 1ng0 s HIS 234 Cb -0.03 -1.33 0.01 0.00 1.11 0.00 0.00 32.58 32.35 1ng0 s HIS 234 CO 0.07 0.45 0.08 -0.51 -0.85 0.00 0.00 174.74 173.97 1ng0 s LEU 235 N -2.44 3.84 -0.05 0.89 1.43 0.83 -1.61 118.68 121.57 1ng0 s LEU 235 Ca 0.21 -0.72 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1ng0 s LEU 235 Cb -0.10 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 1ng0 s LEU 235 CO 0.13 -0.19 -0.05 0.26 0.23 0.00 0.00 176.35 176.72 1ng0 s TRP 236 N 1.49 2.98 -0.12 0.29 0.52 0.25 -1.00 118.94 123.35 1ng0 s TRP 236 Ca 0.02 0.05 0.02 0.00 0.02 0.00 0.00 56.10 56.21 1ng0 s TRP 236 Cb -0.17 -1.70 -0.01 0.00 -1.15 0.00 0.00 33.47 30.44 1ng0 s TRP 236 CO 0.02 0.38 -0.18 -1.17 0.02 0.00 0.00 176.95 176.01 1ng0 s LEU 237 N -0.99 2.39 -0.20 2.99 2.96 -0.03 0.65 118.68 126.44 1ng0 s LEU 237 Ca 0.14 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.60 1ng0 s LEU 237 Cb -0.11 -1.51 0.03 0.00 0.50 0.00 0.00 46.19 45.10 1ng0 s LEU 237 CO 0.03 0.15 -0.15 0.00 -1.32 0.00 0.00 176.35 175.06 1ng0 s ARG 238 N 0.43 2.49 0.28 1.98 1.70 -0.26 0.10 118.95 125.68 1ng0 s ARG 238 Ca -0.14 -0.91 0.04 0.00 -0.47 0.00 0.00 55.73 54.26 1ng0 s ARG 238 Cb -0.17 -2.53 -0.06 0.00 -0.57 0.00 0.00 34.95 31.62 1ng0 s ARG 238 CO 0.06 -0.35 0.01 -1.54 -1.08 0.00 0.00 175.30 172.41 1ng0 s SER 239 N 1.30 2.26 -0.14 -2.89 1.04 -0.41 -2.06 113.70 112.80 1ng0 s SER 239 Ca 0.00 -1.29 -0.06 0.00 0.48 0.00 0.00 55.95 55.08 1ng0 s SER 239 Cb -0.15 -0.07 0.06 0.00 0.10 0.00 0.00 66.02 65.96 1ng0 s SER 239 CO -0.10 -0.52 0.32 -0.60 0.98 0.00 0.00 173.24 173.32 1ng0 s ARG 240 N -3.85 0.25 0.14 4.02 3.52 0.51 -0.35 118.95 123.19 1ng0 s ARG 240 Ca 0.33 0.75 0.00 0.00 -0.13 0.00 0.00 55.73 56.68 1ng0 s ARG 240 Cb 0.07 0.01 -0.04 0.00 -1.56 0.00 0.00 34.95 33.43 1ng0 s ARG 240 CO 0.13 -0.22 0.02 0.96 -0.81 0.00 0.00 175.30 175.38 1ng0 s ILE 241 N 1.92 0.42 -0.08 4.11 -4.36 -1.26 -0.58 121.20 121.36 1ng0 s ILE 241 Ca -0.05 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.41 1ng0 s ILE 241 Cb -0.11 -2.02 -0.03 0.00 1.25 0.00 0.00 42.46 41.55 1ng0 s ILE 241 CO -0.10 -0.53 -0.07 -0.76 0.24 0.00 0.00 174.94 173.72 1ng0 s LEU 242 N -3.10 3.14 0.02 0.37 1.43 -0.08 -2.04 118.68 118.42 1ng0 s LEU 242 Ca 0.22 -0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.34 1ng0 s LEU 242 Cb 0.07 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 1ng0 s LEU 242 CO 0.02 0.33 -0.23 -0.76 0.23 0.00 0.00 176.35 175.94 1ng0 s LEU 243 N -0.62 2.33 -0.03 1.79 1.43 0.90 -1.11 118.68 123.37 1ng0 s LEU 243 Ca 0.09 -0.47 -0.12 0.00 -1.03 0.00 0.00 54.13 52.60 1ng0 s LEU 243 Cb -0.12 -1.39 0.02 0.00 0.03 0.00 0.00 46.19 44.73 1ng0 s LEU 243 CO 0.02 0.28 0.26 -0.75 0.23 0.00 0.00 176.35 176.39 1ng0 s LYS 244 N -1.08 0.55 0.00 1.70 2.20 -0.55 -0.43 119.74 122.13 1ng0 s LYS 244 Ca 0.12 -0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 1ng0 s LYS 244 Cb -0.10 0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 1ng0 s LYS 244 CO 0.02 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 1ng0 n GLY 245 N 1.70 -3.43 3.88 5.54 0.00 -1.26 -0.55 105.19 111.06 1ng0 n GLY 245 Ca -0.20 -0.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 1ng0 n GLY 245 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ng0 s SER 246 N -0.53 6.58 -0.09 1.61 1.04 -1.26 -0.08 113.70 120.97 1ng0 s SER 246 Ca 0.00 1.00 -0.30 0.00 0.48 0.00 0.00 55.95 57.13 1ng0 s SER 246 Cb 0.00 -2.26 0.10 0.00 0.10 0.00 0.00 66.02 63.95 1ng0 s SER 246 CO 0.00 -0.22 0.82 0.54 0.98 0.00 0.00 173.24 175.36 1ng0 s VAL 247 N -2.07 0.00 0.07 5.02 0.11 -1.15 -4.66 120.40 117.72 1ng0 s VAL 247 Ca 0.49 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.23 1ng0 s VAL 247 Cb -0.11 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.68 1ng0 s VAL 247 CO 0.25 0.00 1.23 -0.55 -3.33 0.00 0.00 175.10 172.70 1ng0 s SER 248 N -1.21 7.04 0.28 3.54 0.15 -1.26 -4.42 113.70 117.82 1ng0 s SER 248 Ca -0.06 2.06 0.01 0.00 0.70 0.00 0.00 55.95 58.65 1ng0 s SER 248 Cb -0.00 -2.58 0.64 0.00 -1.71 0.00 0.00 66.02 62.37 1ng0 s SER 248 CO 0.06 -0.50 1.69 -0.65 1.20 0.00 0.00 173.24 175.04 1ng0 h PRO 249 N 6.81 0.35 0.00 5.44 0.11 -1.90 0.41 132.00 143.22 1ng0 h PRO 249 Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1ng0 h PRO 249 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ng0 h PRO 249 CO 0.82 0.23 0.00 -1.13 -0.21 0.00 0.00 178.00 177.71 1ng0 n SER 250 N -5.08 0.44 0.01 -2.05 3.41 -1.26 -2.19 113.62 106.90 1ng0 n SER 250 Ca 0.20 0.61 0.07 0.00 -0.26 0.00 0.00 58.87 59.48 1ng0 n SER 250 Cb 0.59 -0.70 -0.12 0.00 -0.26 0.00 0.00 64.21 63.72 1ng0 n SER 250 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1ng0 n THR 251 N -1.99 0.48 -2.19 6.66 -1.04 0.13 -4.90 114.28 111.43 1ng0 n THR 251 Ca 0.03 -0.59 -0.43 0.00 -2.04 0.00 0.00 64.05 61.02 1ng0 n THR 251 Cb 0.21 -0.23 -0.02 0.00 -1.82 0.00 0.00 70.33 68.47 1ng0 n THR 251 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1ng0 s ASN 252 N -5.00 6.15 0.00 8.00 3.84 -0.43 -4.97 114.94 122.53 1ng0 s ASN 252 Ca -0.06 1.06 0.00 0.00 0.21 0.00 0.00 52.86 54.07 1ng0 s ASN 252 Cb 0.11 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.28 1ng0 s ASN 252 CO 0.86 -1.54 0.47 0.18 -2.79 0.00 0.00 177.10 174.28