#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ida n THR 2 N 0.00 0.00 -2.84 1.12 5.66 0.01 -5.00 114.28 113.23 2ida n THR 2 Ca 0.00 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.66 2ida n THR 2 Cb 0.00 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 2ida n THR 2 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 175.07 171.98 2ida s MET 3 N -1.82 4.33 0.45 1.09 1.00 -1.26 -4.42 119.30 118.66 2ida s MET 3 Ca 0.00 1.15 -0.24 0.00 0.00 0.00 0.00 55.69 56.60 2ida s MET 3 Cb 0.00 -2.42 -0.08 0.00 0.00 0.00 0.00 34.83 32.34 2ida s MET 3 CO 0.00 0.10 1.25 0.20 0.00 0.00 0.00 175.02 176.57 2ida s GLY 4 N -1.99 2.86 0.39 -0.03 0.00 -1.26 -4.86 107.32 102.44 2ida s GLY 4 Ca 0.57 1.12 0.04 0.00 0.00 0.00 0.00 44.72 46.46 2ida s GLY 4 CO 0.17 1.65 0.56 0.00 0.00 0.00 0.00 173.10 175.48 2ida h ARG 6 N 0.67 0.00 -0.08 0.00 0.11 -2.03 0.77 114.38 113.82 2ida h ARG 6 Ca -0.45 0.00 0.02 0.00 0.10 0.00 0.00 59.98 59.65 2ida h ARG 6 Cb 1.26 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.34 2ida h ARG 6 CO 0.54 0.00 0.10 0.45 0.10 0.00 0.00 179.97 181.15 2ida h HIS 7 N 0.00 0.00 -0.12 4.08 3.86 -2.01 -1.27 115.15 119.69 2ida h HIS 7 Ca 0.00 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 2ida h HIS 7 Cb 0.11 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 2ida h HIS 7 CO 0.00 0.00 0.09 -0.24 0.86 0.00 0.00 177.93 178.64 2ida h VAL 8 N 0.00 0.83 0.00 2.45 3.04 -1.22 0.12 116.25 121.47 2ida h VAL 8 Ca 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.73 2ida h VAL 8 Cb 0.23 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 30.44 2ida h VAL 8 CO -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.56 2ida h ALA 9 N 1.93 1.00 0.00 3.17 0.00 -1.43 -2.68 119.26 121.25 2ida h ALA 9 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2ida h ALA 9 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2ida h ALA 9 CO -0.00 0.00 -0.74 0.41 0.00 0.00 0.00 179.25 178.92 2ida n GLY 10 N 0.04 -1.25 3.93 0.00 0.00 0.40 -4.89 105.19 103.41 2ida n GLY 10 Ca 0.01 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 2ida n GLY 10 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ida s ILE 11 N -3.10 5.33 0.37 -0.61 -4.36 -1.01 -4.95 121.20 112.87 2ida s ILE 11 Ca 0.07 -0.56 0.04 0.00 -0.26 0.00 0.00 60.65 59.95 2ida s ILE 11 Cb 0.15 -3.68 -0.03 0.00 1.25 0.00 0.00 42.46 40.16 2ida s ILE 11 CO 0.75 0.02 0.17 0.00 0.24 0.00 0.00 174.94 176.12 2ida s ARG 12 N -2.89 1.82 -0.59 0.37 3.03 -1.19 -4.98 118.95 114.52 2ida s ARG 12 Ca 0.35 -2.08 -0.28 0.00 2.03 0.00 0.00 55.73 55.75 2ida s ARG 12 Cb -0.12 -0.28 0.02 0.00 -1.03 0.00 0.00 34.95 33.54 2ida s ARG 12 CO 0.28 -0.51 1.33 0.99 -1.13 0.00 0.00 175.30 176.26 2ida s THR 13 N -3.35 3.85 0.66 4.99 2.01 -1.26 -4.78 115.64 117.75 2ida s THR 13 Ca 0.30 0.71 0.02 0.00 0.31 0.00 0.00 61.69 63.03 2ida s THR 13 Cb 0.03 -4.59 0.10 0.00 0.01 0.00 0.00 72.50 68.06 2ida s THR 13 CO 0.18 -1.31 0.91 0.68 -0.69 0.00 0.00 174.62 174.39 2ida s VAL 14 N 5.70 2.22 -0.16 3.82 -7.23 -1.26 -5.08 120.40 118.41 2ida s VAL 14 Ca 0.47 -0.70 0.02 0.00 -1.81 0.00 0.00 61.98 59.96 2ida s VAL 14 Cb -0.09 -2.52 0.01 0.00 0.56 0.00 0.00 36.38 34.34 2ida s VAL 14 CO 0.24 0.00 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.93 2ida s THR 15 N -2.98 2.10 0.02 5.32 2.01 -1.26 -4.57 115.64 116.29 2ida s THR 15 Ca 0.64 -0.95 -0.30 0.00 0.31 0.00 0.00 61.69 61.39 2ida s THR 15 Cb -0.06 -1.86 -0.09 0.00 0.01 0.00 0.00 72.50 70.50 2ida s THR 15 CO 0.42 0.54 1.95 -2.84 -0.69 0.00 0.00 174.62 174.01 2ida s PRO 16 N 1.03 4.11 0.37 4.92 0.02 -1.25 -4.61 135.00 139.58 2ida s PRO 16 Ca -0.02 2.57 0.19 0.00 0.02 0.00 0.00 61.00 63.77 2ida s PRO 16 Cb -0.14 -4.16 0.27 0.00 0.02 0.00 0.00 34.50 30.48 2ida s PRO 16 CO -0.07 -0.98 1.55 1.03 -0.33 0.00 0.00 177.00 178.20 2ida h SER 17 N 10.66 0.00 -4.33 2.53 0.87 -1.71 -3.45 113.55 118.13 2ida h SER 17 Ca -0.49 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 59.59 2ida h SER 17 Cb 1.23 0.00 -0.23 0.00 -0.44 0.00 0.00 62.40 62.97 2ida h SER 17 CO 0.94 0.25 -0.80 0.00 -0.53 0.00 0.00 176.83 176.69 2ida s ALA 18 N -3.13 1.44 -0.01 6.23 0.00 -1.26 -5.05 121.76 119.98 2ida s ALA 18 Ca 0.05 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 50.97 2ida s ALA 18 Cb 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 2ida s ALA 18 CO 0.70 0.27 0.05 -0.07 0.00 0.00 0.00 175.76 176.71 2ida h LEU 19 N 4.45 -0.01 0.00 0.00 4.07 -1.90 -3.44 115.31 118.48 2ida h LEU 19 Ca -0.42 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.54 2ida h LEU 19 Cb 1.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.92 2ida h LEU 19 CO 0.41 0.05 0.00 0.61 -1.08 0.00 0.00 178.44 178.43 2ida n GLY 20 N 1.83 1.23 3.56 0.83 0.00 -1.26 -4.88 105.19 106.50 2ida n GLY 20 Ca -0.00 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 2ida n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ida h GLU 22 N 9.32 0.15 0.77 0.00 4.81 -1.95 0.19 114.58 127.88 2ida h GLU 22 Ca -0.25 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.94 2ida h GLU 22 Cb 1.07 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 2ida h GLU 22 CO 1.11 0.10 -0.46 1.49 -0.73 0.00 0.00 179.01 180.53 2ida h GLU 23 N 0.16 -1.11 -0.54 1.92 4.57 -1.90 -1.40 114.58 116.27 2ida h GLU 23 Ca 0.52 0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.76 2ida h GLU 23 Cb 1.03 0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 29.84 2ida h GLU 23 CO -0.69 -0.74 0.28 0.00 -1.18 0.00 0.00 179.01 176.69 2ida h LEU 25 N 0.76 0.00 -1.26 0.00 3.38 -0.26 0.25 115.31 118.17 2ida h LEU 25 Ca 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2ida h LEU 25 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2ida h LEU 25 CO -0.03 0.05 -0.03 0.07 0.09 0.00 0.00 178.44 178.59 2ida h LYS 26 N 0.00 0.00 -0.00 1.13 2.10 -0.84 -3.08 116.57 115.88 2ida h LYS 26 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2ida h LYS 26 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 2ida h LYS 26 CO 0.01 0.03 -0.01 0.44 -2.00 0.00 0.00 179.45 177.92 2ida n ILE 27 N -3.13 0.00 -2.03 0.07 -5.35 -1.01 -5.02 119.36 102.89 2ida n ILE 27 Ca 0.01 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 2ida n ILE 27 Cb 0.35 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.25 2ida n ILE 27 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ida n GLY 28 N 0.69 0.76 3.64 3.28 0.00 -0.39 -5.08 105.19 108.08 2ida n GLY 28 Ca 0.00 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 2ida n GLY 28 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ida s SER 29 N -2.83 4.78 1.00 1.61 0.15 0.74 -5.00 113.70 114.16 2ida s SER 29 Ca 0.00 -0.20 -0.15 0.00 0.70 0.00 0.00 55.95 56.30 2ida s SER 29 Cb 0.00 -1.10 0.20 0.00 -1.71 0.00 0.00 66.02 63.41 2ida s SER 29 CO 0.00 0.22 1.19 -2.16 1.20 0.00 0.00 173.24 173.69 2ida s PRO 30 N -1.95 0.37 0.33 5.44 0.04 -1.26 -4.26 135.00 133.70 2ida s PRO 30 Ca 0.22 -0.04 0.07 0.00 0.04 0.00 0.00 61.00 61.28 2ida s PRO 30 Cb -0.11 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 2ida s PRO 30 CO 0.13 -2.65 0.29 -2.67 0.04 0.00 0.00 177.00 172.14 2ida n TRP 31 N -4.02 -0.83 -0.08 0.56 2.14 -1.26 -4.91 117.44 109.05 2ida n TRP 31 Ca 0.11 -2.76 -0.13 0.00 2.07 0.00 0.00 57.50 56.80 2ida n TRP 31 Cb 0.59 0.30 -0.04 0.00 -0.81 0.00 0.00 31.31 31.36 2ida n TRP 31 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 2ida n VAL 32 N -0.62 1.37 -4.09 -1.67 0.31 -1.26 -4.81 118.33 107.56 2ida n VAL 32 Ca 0.07 0.03 -0.09 0.00 -0.01 0.00 0.00 64.34 64.34 2ida n VAL 32 Cb 0.60 -2.06 -0.09 0.00 -0.91 0.00 0.00 33.84 31.37 2ida n VAL 32 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2ida s HIS 33 N -2.62 0.66 -0.04 3.52 3.76 -1.26 -4.61 115.29 114.70 2ida s HIS 33 Ca -0.26 -1.09 0.06 0.00 -0.15 0.00 0.00 55.06 53.62 2ida s HIS 33 Cb 0.06 -0.38 -0.02 0.00 1.11 0.00 0.00 32.58 33.35 2ida s HIS 33 CO 0.36 -0.50 -0.21 -0.51 -0.85 0.00 0.00 174.74 173.02 2ida s LEU 34 N -2.99 2.34 -0.21 0.89 1.43 -1.26 -0.17 118.68 118.71 2ida s LEU 34 Ca 0.17 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 2ida s LEU 34 Cb 0.07 -1.44 0.04 0.00 0.03 0.00 0.00 46.19 44.89 2ida s LEU 34 CO -0.03 0.31 -0.14 -0.13 0.23 0.00 0.00 176.35 176.59 2ida s ARG 35 N -0.56 2.47 -0.18 1.70 1.81 0.85 -1.71 118.95 123.33 2ida s ARG 35 Ca 0.08 -0.98 -0.14 0.00 -1.72 0.00 0.00 55.73 52.97 2ida s ARG 35 Cb -0.11 -2.61 -0.05 0.00 -0.45 0.00 0.00 34.95 31.74 2ida s ARG 35 CO 0.00 -0.38 0.29 -1.50 -0.68 0.00 0.00 175.30 173.04 2ida s ILE 36 N 1.27 5.29 -0.28 1.52 2.07 0.40 -0.67 121.20 130.80 2ida s ILE 36 Ca -0.01 0.53 -0.29 0.00 -1.41 0.00 0.00 60.65 59.47 2ida s ILE 36 Cb -0.16 -3.63 0.01 0.00 0.13 0.00 0.00 42.46 38.80 2ida s ILE 36 CO -0.09 0.36 1.17 0.00 -1.91 0.00 0.00 174.94 174.47 2ida n ARG 38 N 6.90 0.55 -0.12 0.00 5.12 -0.91 -0.63 116.66 127.57 2ida n ARG 38 Ca 0.13 0.02 -0.23 0.00 -1.93 0.00 0.00 57.85 55.84 2ida n ARG 38 Cb 0.46 -1.50 -0.09 0.00 -1.16 0.00 0.00 32.46 30.17 2ida n ARG 38 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2ida n THR 39 N -1.05 1.52 0.09 0.55 -1.04 -1.26 -3.17 114.28 109.93 2ida n THR 39 Ca 0.14 -0.15 0.01 0.00 -2.04 0.00 0.00 64.05 62.01 2ida n THR 39 Cb 0.08 -2.03 0.02 0.00 -1.82 0.00 0.00 70.33 66.58 2ida n THR 39 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ida n GLY 41 N 0.10 1.09 3.78 0.00 0.00 0.20 -4.85 105.19 105.51 2ida n GLY 41 Ca 0.02 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 2ida n GLY 41 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2ida s HIS 42 N -2.34 3.57 -0.05 1.61 5.65 -1.24 -1.88 115.29 120.60 2ida s HIS 42 Ca 0.00 0.77 -0.12 0.00 0.25 0.00 0.00 55.06 55.96 2ida s HIS 42 Cb 0.00 -2.32 -0.05 0.00 -1.18 0.00 0.00 32.58 29.03 2ida s HIS 42 CO 0.00 0.41 0.32 0.08 -0.65 0.00 0.00 174.74 174.90 2ida s VAL 43 N -0.16 5.20 0.15 0.89 1.01 -1.26 -0.74 120.40 125.49 2ida s VAL 43 Ca 0.20 0.62 0.01 0.00 0.00 0.00 0.00 61.98 62.81 2ida s VAL 43 Cb -0.14 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2ida s VAL 43 CO 0.08 0.58 0.01 -0.83 0.00 0.00 0.00 175.10 174.94 2ida s GLY 44 N -0.95 1.10 0.36 4.51 0.00 0.15 -4.23 107.32 108.26 2ida s GLY 44 Ca 0.20 -1.53 -0.26 0.00 0.00 0.00 0.00 44.72 43.14 2ida s GLY 44 CO 0.10 -1.47 1.10 0.00 0.00 0.00 0.00 173.10 172.83 2ida h ASP 47 N -2.43 0.00 -0.25 0.00 2.03 -1.94 -1.39 116.42 112.45 2ida h ASP 47 Ca -0.59 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 55.62 2ida h ASP 47 Cb 1.34 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.82 2ida h ASP 47 CO 0.53 0.00 -0.13 0.44 -1.03 0.00 0.00 179.24 179.04 2ida h ASP 48 N 0.00 0.65 -3.44 4.15 3.32 -1.93 -3.44 116.42 115.74 2ida h ASP 48 Ca 0.00 -0.19 -0.54 0.00 0.02 0.00 0.00 57.03 56.32 2ida h ASP 48 Cb 0.28 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 2ida h ASP 48 CO 0.00 0.81 0.21 -0.44 -1.72 0.00 0.00 179.24 178.10 2ida s SER 49 N -6.73 7.24 0.47 6.45 0.01 -0.52 -4.93 113.70 115.69 2ida s SER 49 Ca -0.08 1.49 0.29 0.00 1.31 0.00 0.00 55.95 58.95 2ida s SER 49 Cb 0.14 -2.49 1.36 0.00 0.21 0.00 0.00 66.02 65.24 2ida s SER 49 CO 0.81 -0.05 1.75 -0.65 0.41 0.00 0.00 173.24 175.50 2ida h PRO 50 N 5.98 0.17 -0.46 12.44 0.11 -1.85 -0.35 132.00 148.05 2ida h PRO 50 Ca -0.43 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.57 2ida h PRO 50 Cb 1.21 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2ida h PRO 50 CO 0.72 0.11 -0.13 0.45 -0.21 0.00 0.00 178.00 178.95 2ida h HIS 51 N 0.18 0.94 -6.89 0.65 3.86 -1.92 -3.47 115.15 108.50 2ida h HIS 51 Ca 0.64 -0.18 -0.58 0.00 -1.16 0.00 0.00 60.37 59.09 2ida h HIS 51 Cb 2.08 -0.24 -0.22 0.00 1.06 0.00 0.00 27.41 30.09 2ida h HIS 51 CO -0.00 0.92 -0.89 1.63 0.86 0.00 0.00 177.93 180.44 2ida n LYS 52 N -4.15 -2.08 0.15 2.45 5.02 -0.14 -4.82 118.16 114.59 2ida n LYS 52 Ca 0.01 0.26 0.13 0.00 -2.02 0.00 0.00 58.31 56.69 2ida n LYS 52 Cb 0.39 -4.54 0.44 0.00 -0.02 0.00 0.00 35.03 31.30 2ida n LYS 52 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2ida h HIS 53 N -1.49 0.00 -0.26 2.13 2.76 -1.86 -2.65 115.15 113.78 2ida h HIS 53 Ca -0.62 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 57.53 2ida h HIS 53 Cb 1.39 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.34 2ida h HIS 53 CO 0.60 0.00 0.08 0.00 -1.30 0.00 0.00 177.93 177.31 2ida h ALA 54 N 2.29 0.34 -0.20 5.26 0.00 -1.83 0.29 119.26 125.41 2ida h ALA 54 Ca 0.00 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 2ida h ALA 54 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2ida h ALA 54 CO 0.00 -0.04 -0.45 1.79 0.00 0.00 0.00 179.25 180.56 2ida h THR 55 N 0.25 1.32 -0.01 0.00 1.35 -1.80 -2.95 112.91 111.07 2ida h THR 55 Ca 0.08 -1.68 -0.02 0.00 -0.55 0.00 0.00 66.41 64.25 2ida h THR 55 Cb 0.24 1.87 -0.00 0.00 -1.73 0.00 0.00 68.15 68.52 2ida h THR 55 CO -0.00 0.52 -0.09 0.03 -0.25 0.00 0.00 175.52 175.73 2ida h ARG 56 N 0.35 0.01 -0.78 4.72 3.08 -1.43 -2.09 114.38 118.24 2ida h ARG 56 Ca 0.00 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2ida h ARG 56 Cb 1.06 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.07 2ida h ARG 56 CO 0.10 0.10 0.32 1.25 -1.07 0.00 0.00 179.97 180.66 2ida h HIS 57 N 0.01 1.18 -0.39 3.04 2.76 -0.25 -1.35 115.15 120.15 2ida h HIS 57 Ca 0.00 -0.09 -0.06 0.00 -2.20 0.00 0.00 60.37 58.02 2ida h HIS 57 Cb 0.16 -0.36 -0.02 0.00 1.55 0.00 0.00 27.41 28.74 2ida h HIS 57 CO 0.00 0.89 -0.02 0.35 -1.30 0.00 0.00 177.93 177.85 2ida h PHE 58 N 1.14 0.67 0.00 5.26 3.57 -1.32 0.18 116.94 126.43 2ida h PHE 58 Ca 0.26 -0.09 -0.08 0.00 3.53 0.00 0.00 57.97 61.60 2ida h PHE 58 Cb 0.21 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 2ida h PHE 58 CO 0.02 0.66 -0.38 1.25 -2.23 0.00 0.00 178.31 177.62 2ida h HIS 59 N 0.60 0.00 0.00 0.41 2.76 -1.22 0.47 115.15 118.18 2ida h HIS 59 Ca 0.12 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.20 2ida h HIS 59 Cb 0.42 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.36 2ida h HIS 59 CO 0.02 0.38 -0.60 0.00 -1.30 0.00 0.00 177.93 176.43 2ida h ALA 60 N 1.62 0.11 0.10 5.26 0.00 -0.52 -3.42 119.26 122.40 2ida h ALA 60 Ca -0.00 -0.73 -0.36 0.00 0.00 0.00 0.00 54.91 53.81 2ida h ALA 60 Cb 0.80 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2ida h ALA 60 CO 0.05 0.37 -2.05 0.25 0.00 0.00 0.00 179.25 177.87 2ida n THR 61 N -4.56 1.72 -0.72 0.00 -2.24 0.55 -5.01 114.28 104.02 2ida n THR 61 Ca -0.17 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 2ida n THR 61 Cb 0.47 -1.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 2ida n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ida n GLY 62 N 2.00 1.22 3.27 3.38 0.00 0.16 -5.05 105.19 110.17 2ida n GLY 62 Ca -0.35 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 2ida n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ida s HIS 63 N -2.17 3.34 -2.15 1.61 3.76 -1.26 -4.97 115.29 113.47 2ida s HIS 63 Ca 0.00 -1.53 0.30 0.00 -0.15 0.00 0.00 55.06 53.69 2ida s HIS 63 Cb 0.00 -3.27 1.58 0.00 1.11 0.00 0.00 32.58 32.00 2ida s HIS 63 CO 0.00 -0.91 2.05 -0.35 -0.85 0.00 0.00 174.74 174.68 2ida n PRO 64 N 5.00 1.20 -4.63 8.40 -0.04 -1.26 -4.58 135.00 139.09 2ida n PRO 64 Ca -0.10 -0.34 -0.29 0.00 -0.04 0.00 0.00 63.50 62.73 2ida n PRO 64 Cb 0.42 -1.49 -0.17 0.00 -0.04 0.00 0.00 33.50 32.22 2ida n PRO 64 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2ida s ILE 65 N -2.03 1.61 0.17 0.52 1.01 -1.26 -0.18 121.20 121.05 2ida s ILE 65 Ca 0.43 -0.72 0.07 0.00 0.00 0.00 0.00 60.65 60.43 2ida s ILE 65 Cb 0.22 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 2ida s ILE 65 CO 0.36 0.46 -0.14 0.27 0.00 0.00 0.00 174.94 175.89 2ida s ILE 66 N 0.81 1.58 0.12 2.92 -4.36 -0.06 -2.15 121.20 120.05 2ida s ILE 66 Ca -0.10 -2.04 0.08 0.00 -0.26 0.00 0.00 60.65 58.33 2ida s ILE 66 Cb -0.16 -1.87 -0.04 0.00 1.25 0.00 0.00 42.46 41.64 2ida s ILE 66 CO 0.01 -0.54 -0.20 -0.70 0.24 0.00 0.00 174.94 173.75 2ida s GLU 67 N -3.33 1.16 -0.42 0.37 2.12 0.21 0.36 118.70 119.17 2ida s GLU 67 Ca 0.18 -1.23 -0.28 0.00 0.36 0.00 0.00 54.97 54.00 2ida s GLU 67 Cb -0.02 -1.37 -0.00 0.00 0.26 0.00 0.00 34.13 33.00 2ida s GLU 67 CO 0.05 0.31 1.60 0.20 -0.54 0.00 0.00 175.26 176.87 2ida s GLY 68 N -2.12 0.87 -0.19 -1.50 0.00 -0.75 -0.46 107.32 103.18 2ida s GLY 68 Ca 0.09 -0.12 0.03 0.00 0.00 0.00 0.00 44.72 44.72 2ida s GLY 68 CO 0.05 3.02 0.09 2.98 0.00 0.00 0.00 173.10 179.24 2ida n TYR 69 N 9.84 0.48 -0.04 1.90 9.36 -0.69 -3.70 117.16 134.30 2ida n TYR 69 Ca 0.19 0.12 -0.14 0.00 3.32 0.00 0.00 57.90 61.39 2ida n TYR 69 Cb 0.48 -1.07 -0.08 0.00 -0.63 0.00 0.00 39.34 38.04 2ida n TYR 69 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 2ida h ASP 70 N 0.02 0.32 -3.63 2.98 1.82 -1.84 -3.33 116.42 112.75 2ida h ASP 70 Ca -0.50 -0.56 -0.78 0.00 -0.39 0.00 0.00 57.03 54.81 2ida h ASP 70 Cb 2.01 -0.09 -0.25 0.00 0.68 0.00 0.00 39.33 41.68 2ida h ASP 70 CO -0.00 0.81 0.20 -2.16 -1.61 0.00 0.00 179.24 176.48 2ida s PRO 71 N -4.00 3.61 0.00 0.28 0.04 -1.26 -4.95 135.00 128.72 2ida s PRO 71 Ca -0.15 -2.37 -0.05 0.00 0.04 0.00 0.00 61.00 58.47 2ida s PRO 71 Cb 0.04 -4.50 -0.23 0.00 0.04 0.00 0.00 34.50 29.85 2ida s PRO 71 CO 0.75 -1.36 3.24 -2.30 0.04 0.00 0.00 177.00 177.37 2ida n PRO 72 N 4.32 1.75 0.00 0.56 -0.02 -1.24 -4.31 135.00 136.06 2ida n PRO 72 Ca 0.15 -0.85 0.14 0.00 -2.02 0.00 0.00 63.50 60.93 2ida n PRO 72 Cb 0.47 -1.89 0.66 0.00 -0.02 0.00 0.00 33.50 32.72 2ida n PRO 72 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2ida n GLU 73 N 2.48 0.77 -1.67 -0.52 1.02 -1.26 -4.94 120.64 116.52 2ida n GLU 73 Ca 0.36 -0.24 -0.00 0.00 -0.02 0.00 0.00 57.16 57.26 2ida n GLU 73 Cb 0.81 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.73 2ida n GLU 73 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ida n GLY 74 N 1.24 -0.28 2.92 0.62 0.00 -1.26 -4.48 105.19 103.95 2ida n GLY 74 Ca 0.16 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 2ida n GLY 74 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2ida s TRP 75 N -3.00 0.06 -0.04 1.61 1.48 -1.26 -0.20 118.94 117.57 2ida s TRP 75 Ca 0.01 -0.11 0.06 0.00 -1.06 0.00 0.00 56.10 54.99 2ida s TRP 75 Cb -0.00 -0.05 -0.02 0.00 -1.16 0.00 0.00 33.47 32.24 2ida s TRP 75 CO 0.08 -0.07 -0.22 0.20 -4.06 0.00 0.00 176.95 172.88 2ida s GLY 76 N -0.44 1.35 -0.14 3.67 0.00 0.68 -1.82 107.32 110.62 2ida s GLY 76 Ca -0.05 -1.05 -0.02 0.00 0.00 0.00 0.00 44.72 43.60 2ida s GLY 76 CO -0.00 -0.76 -0.08 0.86 0.00 0.00 0.00 173.10 173.12 2ida s TRP 77 N -0.44 2.94 -0.28 1.90 -0.11 0.16 -1.16 118.94 121.94 2ida s TRP 77 Ca 0.05 -0.40 -0.05 0.00 1.22 0.00 0.00 56.10 56.92 2ida s TRP 77 Cb -0.12 -1.89 0.02 0.00 -1.50 0.00 0.00 33.47 29.98 2ida s TRP 77 CO 0.01 -0.07 0.03 0.00 -4.62 0.00 0.00 176.95 172.30 2ida h TYR 79 N 8.14 -0.72 0.00 0.00 0.05 -0.89 0.57 116.97 124.12 2ida h TYR 79 Ca -0.31 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.48 2ida h TYR 79 Cb 1.11 0.29 -0.00 0.00 1.01 0.00 0.00 36.73 39.14 2ida h TYR 79 CO 0.60 -0.33 -0.00 -0.39 -1.05 0.00 0.00 178.16 176.99 2ida h VAL 80 N -0.47 0.02 0.07 -2.88 -1.51 -1.96 -2.17 116.25 107.34 2ida h VAL 80 Ca -0.02 -0.26 -0.32 0.00 -1.23 0.00 0.00 66.70 64.87 2ida h VAL 80 Cb 0.42 1.25 -0.03 0.00 -2.13 0.00 0.00 31.29 30.80 2ida h VAL 80 CO -0.06 0.00 -1.79 0.44 -1.23 0.00 0.00 177.57 174.93 2ida h ASP 81 N 0.00 0.22 -2.20 4.19 5.19 -1.84 -3.48 116.42 118.51 2ida h ASP 81 Ca -0.00 -0.46 -0.34 0.00 -0.62 0.00 0.00 57.03 55.61 2ida h ASP 81 Cb 0.25 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.66 2ida h ASP 81 CO 0.00 1.41 -0.42 -0.62 -3.12 0.00 0.00 179.24 176.49 2ida n GLU 82 N -3.28 -1.32 -4.23 3.56 1.02 0.20 -5.01 120.64 111.57 2ida n GLU 82 Ca -0.23 0.85 -0.30 0.00 -0.02 0.00 0.00 57.16 57.46 2ida n GLU 82 Cb 1.05 -5.26 -0.09 0.00 -0.02 0.00 0.00 31.44 27.11 2ida n GLU 82 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2ida s VAL 83 N -2.81 3.71 -0.15 2.62 -7.23 -1.22 -4.96 120.40 110.36 2ida s VAL 83 Ca 0.00 -1.04 0.02 0.00 -1.81 0.00 0.00 61.98 59.15 2ida s VAL 83 Cb 0.00 -2.72 0.01 0.00 0.56 0.00 0.00 36.38 34.23 2ida s VAL 83 CO 0.00 0.18 -0.21 -0.32 -0.31 0.00 0.00 175.10 174.44 2ida s MET 84 N -2.07 2.98 0.30 4.82 1.75 -1.26 -1.81 119.30 124.01 2ida s MET 84 Ca 0.22 -0.84 0.06 0.00 -1.25 0.00 0.00 55.69 53.88 2ida s MET 84 Cb -0.11 -2.45 -0.06 0.00 2.84 0.00 0.00 34.83 35.05 2ida s MET 84 CO 0.14 -0.07 -0.02 -0.59 -0.65 0.00 0.00 175.02 173.84 2ida s PHE 85 N 0.94 2.00 0.08 4.11 -0.12 -0.31 -0.81 117.98 123.89 2ida s PHE 85 Ca -0.04 -0.77 -0.25 0.00 -0.05 0.00 0.00 56.93 55.81 2ida s PHE 85 Cb -0.15 -1.22 -0.06 0.00 -0.63 0.00 0.00 43.02 40.96 2ida s PHE 85 CO -0.05 0.21 0.79 0.34 -0.05 0.00 0.00 175.22 176.46 2ida s ASP 86 N -3.48 7.29 -0.04 1.98 2.15 -1.26 -0.23 116.67 123.08 2ida s ASP 86 Ca 0.32 1.53 0.06 0.00 0.43 0.00 0.00 52.55 54.89 2ida s ASP 86 Cb 0.06 -2.49 0.09 0.00 -0.30 0.00 0.00 42.92 40.28 2ida s ASP 86 CO 0.13 0.06 1.04 0.18 -0.17 0.00 0.00 175.17 176.42 2ida n LEU 87 N 2.46 0.65 -0.03 -1.34 4.77 0.71 -4.80 117.00 119.42 2ida n LEU 87 Ca -0.03 -1.58 0.09 0.00 -0.03 0.00 0.00 56.01 54.46 2ida n LEU 87 Cb 0.50 -0.11 0.49 0.00 -2.33 0.00 0.00 43.42 41.96 2ida n LEU 87 CO 0.47 0.38 1.17 -1.28 -1.33 0.00 0.00 177.39 176.81 2ida h SER 88 N 0.03 0.37 -0.36 -1.43 0.87 -1.43 0.42 113.55 112.02 2ida h SER 88 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2ida h SER 88 Cb 1.31 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2ida h SER 88 CO 0.00 0.24 0.00 0.47 -0.53 0.00 0.00 176.83 177.01 2ida n ASP 89 N -4.47 2.66 -0.30 6.23 8.00 -1.26 -3.88 116.55 123.53 2ida n ASP 89 Ca 0.07 -1.90 0.00 0.00 0.71 0.00 0.00 54.79 53.67 2ida n ASP 89 Cb 0.25 -0.23 0.01 0.00 -0.02 0.00 0.00 41.12 41.12 2ida n ASP 89 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ida n ARG 90 N 0.96 0.12 -1.38 -1.24 1.74 0.26 -5.12 116.66 111.99 2ida n ARG 90 Ca 0.18 -0.90 -0.29 0.00 -0.77 0.00 0.00 57.85 56.07 2ida n ARG 90 Cb 0.46 -0.55 0.15 0.00 -1.02 0.00 0.00 32.46 31.50 2ida n ARG 90 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ida s MET 91 N -0.13 0.98 -0.10 5.56 0.23 0.12 -4.78 119.30 121.18 2ida s MET 91 Ca 0.01 0.44 -0.21 0.00 -1.03 0.00 0.00 55.69 54.90 2ida s MET 91 Cb 0.01 -1.81 -0.04 0.00 -1.53 0.00 0.00 34.83 31.47 2ida s MET 91 CO 0.00 -2.34 0.62 0.99 -2.03 0.00 0.00 175.02 172.27 2ida s THR 92 N -3.13 5.09 -0.04 3.16 2.01 -1.26 -4.94 115.64 116.53 2ida s THR 92 Ca 0.64 1.26 -0.30 0.00 0.31 0.00 0.00 61.69 63.60 2ida s THR 92 Cb -0.16 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 2ida s THR 92 CO 0.55 0.26 1.47 -2.16 -0.69 0.00 0.00 174.62 174.05 2ida s PRO 93 N 0.87 4.24 0.49 4.92 0.04 -1.26 -4.98 135.00 139.30 2ida s PRO 93 Ca 0.33 2.00 -0.24 0.00 0.04 0.00 0.00 61.00 63.13 2ida s PRO 93 Cb -0.17 -3.74 -0.07 0.00 0.04 0.00 0.00 34.50 30.57 2ida s PRO 93 CO 0.15 -0.69 1.38 -3.38 0.04 0.00 0.00 177.00 174.49 2ida s HIS 94 N 3.13 2.42 -0.03 0.56 -3.43 -1.26 -4.55 115.29 112.13 2ida s HIS 94 Ca 0.66 1.33 0.04 0.00 -0.80 0.00 0.00 55.06 56.29 2ida s HIS 94 Cb -0.31 -3.84 -0.25 0.00 -1.43 0.00 0.00 32.58 26.76 2ida s HIS 94 CO 0.26 -2.82 0.73 -2.95 -2.00 0.00 0.00 174.74 167.96 2ida h ASN 95 N 1.98 0.18 -1.05 7.38 -1.07 -1.90 -3.50 115.58 117.60 2ida h ASN 95 Ca -0.51 -0.32 0.00 0.00 0.07 0.00 0.00 56.30 55.54 2ida h ASN 95 Cb 1.28 -0.06 0.00 0.00 -2.07 0.00 0.00 38.32 37.47 2ida h ASN 95 CO 0.60 1.28 0.00 0.61 0.07 0.00 0.00 177.43 179.98 2ida n GLY 96 N 1.64 2.15 3.77 9.14 0.00 -1.26 -5.09 105.19 115.54 2ida n GLY 96 Ca -0.17 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.42 2ida n GLY 96 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ida s PRO 97 N -1.94 4.26 -0.13 1.61 0.04 -1.26 -5.01 135.00 132.56 2ida s PRO 97 Ca 0.00 1.69 0.02 0.00 0.04 0.00 0.00 61.00 62.75 2ida s PRO 97 Cb 0.00 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.79 2ida s PRO 97 CO 0.00 -0.10 -0.20 0.42 0.04 0.00 0.00 177.00 177.16 2ida s ILE 98 N -1.45 2.32 -0.27 0.56 1.01 -1.26 -4.68 121.20 117.43 2ida s ILE 98 Ca 0.54 -0.90 -0.28 0.00 0.00 0.00 0.00 60.65 60.01 2ida s ILE 98 Cb -0.27 -1.94 -0.05 0.00 0.01 0.00 0.00 42.46 40.20 2ida s ILE 98 CO 0.35 0.54 2.26 -2.65 0.00 0.00 0.00 174.94 175.44 2ida n PRO 99 N 3.89 1.79 -2.47 2.79 -0.02 -1.26 -4.92 135.00 134.81 2ida n PRO 99 Ca -0.19 0.44 -0.43 0.00 -2.02 0.00 0.00 63.50 61.30 2ida n PRO 99 Cb 0.52 -3.26 -0.02 0.00 -0.02 0.00 0.00 33.50 30.72 2ida n PRO 99 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2ida s ARG 100 N 6.69 3.72 -0.07 -0.52 3.00 -1.26 -4.84 118.95 125.65 2ida s ARG 100 Ca 1.01 0.86 0.20 0.00 -1.00 0.00 0.00 55.73 56.80 2ida s ARG 100 Cb -0.32 -3.94 -0.30 0.00 0.00 0.00 0.00 34.95 30.38 2ida s ARG 100 CO 0.34 -1.39 0.36 0.66 0.00 0.00 0.00 175.30 175.27 2ida n TYR 101 N 8.15 0.00 1.22 5.12 4.01 -1.26 -5.18 117.16 129.22 2ida n TYR 101 Ca 0.14 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 58.01 2ida n TYR 101 Cb 0.48 -0.61 0.28 0.00 -0.31 0.00 0.00 39.34 39.18 2ida n TYR 101 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73