#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 1.15 -3.47 1.12 5.66 0.33 -4.99 114.28 114.08 2ida n THR 2 Ca 0.00 0.23 -0.14 0.00 -3.05 0.00 0.00 64.05 61.10 2ida n THR 2 Cb 0.00 -2.05 -0.03 0.00 -1.55 0.00 0.00 70.33 66.70 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 -2.38 1.14 0.00 1.09 1.00 -1.24 -5.05 119.30 113.86 2ida s MET 3 Ca -0.19 -0.18 0.00 0.00 0.00 0.00 0.00 55.69 55.32 2ida s MET 3 Cb 0.03 0.53 0.00 0.00 0.00 0.00 0.00 34.83 35.39 2ida s MET 3 CO 0.28 -0.45 0.00 0.41 0.00 0.00 0.00 175.02 175.26 2ida n GLY 4 N 0.12 1.29 3.65 -0.03 0.00 -1.26 -4.21 105.19 104.74 2ida n GLY 4 Ca -0.17 -1.94 -0.04 0.00 0.00 0.00 0.00 46.02 43.86 2ida n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ida h ARG 6 N 2.00 0.11 0.00 0.00 0.11 -2.03 -0.67 114.38 113.91 2ida h ARG 6 Ca -0.23 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 59.83 2ida h ARG 6 Cb 1.23 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 32.28 2ida h ARG 6 CO 0.27 0.08 -0.03 0.45 0.10 0.00 0.00 179.97 180.84 2ida h HIS 7 N 0.12 0.00 0.00 4.08 3.86 -2.01 -2.31 115.15 118.89 2ida h HIS 7 Ca 0.37 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.57 2ida h HIS 7 Cb 1.28 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.75 2ida h HIS 7 CO -0.00 0.03 -0.03 -0.24 0.86 0.00 0.00 177.93 178.55 2ida h VAL 8 N 0.00 0.77 0.00 2.45 3.04 -1.52 0.93 116.25 121.92 2ida h VAL 8 Ca -0.00 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.57 2ida h VAL 8 Cb 0.09 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.44 2ida h VAL 8 CO 0.00 0.03 0.00 0.00 -1.01 0.00 0.00 177.57 176.60 2ida n ALA 9 N -2.42 2.54 0.81 3.17 0.00 -0.87 -2.78 120.51 120.98 2ida n ALA 9 Ca -0.03 -0.17 0.09 0.00 0.00 0.00 0.00 53.44 53.33 2ida n ALA 9 Cb 0.12 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.10 2ida n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ida n GLY 10 N 0.90 0.02 3.92 0.00 0.00 0.32 -4.96 105.19 105.39 2ida n GLY 10 Ca 0.20 -0.53 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.07 5.26 0.28 -0.61 -4.36 -1.12 -4.97 121.20 113.61 2ida s ILE 11 Ca 0.16 -0.64 0.04 0.00 -0.26 0.00 0.00 60.65 59.94 2ida s ILE 11 Cb 0.15 -3.67 -0.06 0.00 1.25 0.00 0.00 42.46 40.13 2ida s ILE 11 CO 0.45 -0.03 0.02 0.00 0.24 0.00 0.00 174.94 175.62 2ida s ARG 12 N -3.02 1.50 -0.65 0.37 3.03 -1.10 -5.04 118.95 114.05 2ida s ARG 12 Ca 0.34 -1.80 -0.27 0.00 2.03 0.00 0.00 55.73 56.04 2ida s ARG 12 Cb -0.11 -0.76 0.03 0.00 -1.03 0.00 0.00 34.95 33.08 2ida s ARG 12 CO 0.28 -0.13 1.19 0.99 -1.13 0.00 0.00 175.30 176.49 2ida s THR 13 N -3.34 3.95 0.73 4.99 2.01 -1.26 -4.66 115.64 118.05 2ida s THR 13 Ca 0.33 0.52 -0.01 0.00 0.31 0.00 0.00 61.69 62.84 2ida s THR 13 Cb 0.07 -4.79 0.15 0.00 0.01 0.00 0.00 72.50 67.93 2ida s THR 13 CO 0.12 -1.56 1.00 1.33 -0.69 0.00 0.00 174.62 174.83 2ida n VAL 14 N 6.43 0.00 -4.97 3.82 0.24 -1.26 -5.09 118.33 117.50 2ida n VAL 14 Ca 0.04 -1.51 -0.32 0.00 -2.04 0.00 0.00 64.34 60.51 2ida n VAL 14 Cb 0.49 -0.94 -0.14 0.00 -1.47 0.00 0.00 33.84 31.77 2ida n VAL 14 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2ida s THR 15 N -3.09 2.76 0.05 3.34 2.01 -1.26 -4.84 115.64 114.60 2ida s THR 15 Ca 0.66 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 61.55 2ida s THR 15 Cb -0.04 -2.08 -0.09 0.00 0.01 0.00 0.00 72.50 70.30 2ida s THR 15 CO 0.44 0.57 1.92 -2.84 -0.69 0.00 0.00 174.62 174.02 2ida s PRO 16 N -0.26 4.14 0.34 4.92 0.02 -1.26 -4.58 135.00 138.32 2ida s PRO 16 Ca 0.01 2.58 0.17 0.00 0.02 0.00 0.00 61.00 63.79 2ida s PRO 16 Cb -0.13 -4.05 0.50 0.00 0.02 0.00 0.00 34.50 30.84 2ida s PRO 16 CO 0.03 -0.93 1.65 1.03 -0.33 0.00 0.00 177.00 178.45 2ida h SER 17 N 10.18 0.00 -5.40 2.53 0.87 -1.78 -3.47 113.55 116.48 2ida h SER 17 Ca -0.48 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 59.93 2ida h SER 17 Cb 1.23 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 63.08 2ida h SER 17 CO 0.94 0.43 -0.29 0.00 -0.53 0.00 0.00 176.83 177.39 2ida s ALA 18 N -3.42 0.37 -0.17 6.23 0.00 -1.26 -5.03 121.76 118.47 2ida s ALA 18 Ca 0.01 -1.24 -0.17 0.00 0.00 0.00 0.00 51.96 50.56 2ida s ALA 18 Cb 0.10 1.19 -0.22 0.00 0.00 0.00 0.00 23.12 24.19 2ida s ALA 18 CO 0.71 -0.76 0.31 -0.07 0.00 0.00 0.00 175.76 175.94 2ida h LEU 19 N 2.35 0.17 0.00 0.00 4.07 -1.90 -3.44 115.31 116.55 2ida h LEU 19 Ca -0.29 -0.69 0.00 0.00 0.08 0.00 0.00 57.88 56.98 2ida h LEU 19 Cb 1.25 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.93 2ida h LEU 19 CO 0.41 1.61 0.00 0.61 -1.08 0.00 0.00 178.44 180.00 2ida n GLY 20 N 1.64 2.57 3.65 0.83 0.00 -1.26 -4.85 105.19 107.77 2ida n GLY 20 Ca -0.31 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.20 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 10.49 0.00 0.00 0.00 4.81 -1.59 -1.11 114.58 127.18 2ida h GLU 22 Ca -0.44 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.68 2ida h GLU 22 Cb 1.21 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 2ida h GLU 22 CO 0.95 0.00 -0.93 -1.91 -0.73 0.00 0.00 179.01 176.39 2ida n GLU 23 N -2.83 0.50 0.16 1.92 2.13 -1.26 -4.47 120.64 116.80 2ida n GLU 23 Ca -0.02 0.51 0.14 0.00 0.66 0.00 0.00 57.16 58.44 2ida n GLU 23 Cb 0.09 -1.68 0.69 0.00 0.27 0.00 0.00 31.44 30.81 2ida n GLU 23 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ida h LEU 25 N 0.00 0.00 -0.99 0.00 3.38 -1.44 0.18 115.31 116.44 2ida h LEU 25 Ca 0.10 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 2ida h LEU 25 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2ida h LEU 25 CO -0.00 0.01 -0.49 0.07 0.09 0.00 0.00 178.44 178.11 2ida h LYS 26 N 0.00 0.00 -0.00 1.13 2.10 -1.63 -3.19 116.57 114.98 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 0.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 2ida h LYS 26 CO 0.00 0.49 -0.32 0.44 -2.00 0.00 0.00 179.45 178.06 2ida n ILE 27 N -3.89 0.00 -2.82 0.07 -5.35 -0.84 -5.01 119.36 101.52 2ida n ILE 27 Ca -0.01 -0.34 -0.08 0.00 -0.27 0.00 0.00 62.75 62.05 2ida n ILE 27 Cb 0.52 1.00 0.02 0.00 -1.74 0.00 0.00 39.64 39.45 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 1.15 0.42 3.84 3.28 0.00 0.56 -5.03 105.19 109.42 2ida n GLY 28 Ca 0.01 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 2ida n GLY 28 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ida s SER 29 N -3.08 6.86 0.77 1.61 1.04 -0.96 -5.02 113.70 114.92 2ida s SER 29 Ca 0.19 1.18 -0.11 0.00 0.48 0.00 0.00 55.95 57.68 2ida s SER 29 Cb -0.08 -2.33 0.06 0.00 0.10 0.00 0.00 66.02 63.77 2ida s SER 29 CO 0.23 0.03 1.11 -2.16 0.98 0.00 0.00 173.24 173.42 2ida s PRO 30 N -2.18 2.16 0.08 4.02 0.04 -1.26 -4.77 135.00 133.10 2ida s PRO 30 Ca 0.42 1.28 -0.05 0.00 0.04 0.00 0.00 61.00 62.69 2ida s PRO 30 Cb -0.14 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 2ida s PRO 30 CO 0.20 -1.73 0.10 1.67 0.04 0.00 0.00 177.00 177.27 2ida s TRP 31 N -2.75 0.40 -0.25 0.56 -2.14 -1.26 -5.00 118.94 108.50 2ida s TRP 31 Ca 0.63 -0.87 -0.17 0.00 2.66 0.00 0.00 56.10 58.35 2ida s TRP 31 Cb -0.19 -0.24 -0.15 0.00 -3.10 0.00 0.00 33.47 29.79 2ida s TRP 31 CO 0.54 -0.49 -0.10 0.28 -2.66 0.00 0.00 176.95 174.51 2ida n VAL 32 N -0.01 1.53 -4.03 -0.66 0.31 -1.26 -4.05 118.33 110.16 2ida n VAL 32 Ca -0.13 -0.22 -0.08 0.00 -0.01 0.00 0.00 64.34 63.90 2ida n VAL 32 Cb 0.62 -1.96 -0.10 0.00 -0.91 0.00 0.00 33.84 31.50 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 -2.45 0.41 -0.03 3.52 3.76 -1.26 -4.82 115.29 114.42 2ida s HIS 33 Ca -0.34 -0.88 0.04 0.00 -0.15 0.00 0.00 55.06 53.73 2ida s HIS 33 Cb 0.11 -0.30 -0.01 0.00 1.11 0.00 0.00 32.58 33.49 2ida s HIS 33 CO 0.53 -0.37 -0.15 -0.51 -0.85 0.00 0.00 174.74 173.39 2ida s LEU 34 N -2.61 1.94 -0.03 0.89 1.43 -1.26 -0.44 118.68 118.60 2ida s LEU 34 Ca 0.02 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 2ida s LEU 34 Cb 0.04 -0.85 0.02 0.00 0.03 0.00 0.00 46.19 45.43 2ida s LEU 34 CO -0.08 0.16 -0.04 -0.13 0.23 0.00 0.00 176.35 176.49 2ida s ARG 35 N -0.10 0.62 -0.15 1.70 0.52 0.77 -1.08 118.95 121.23 2ida s ARG 35 Ca 0.00 -0.09 -0.13 0.00 -0.52 0.00 0.00 55.73 54.99 2ida s ARG 35 Cb -0.09 -0.66 -0.05 0.00 0.52 0.00 0.00 34.95 34.68 2ida s ARG 35 CO 0.01 -0.04 0.28 -1.50 0.02 0.00 0.00 175.30 174.07 2ida s ILE 36 N 0.67 5.31 -0.35 1.52 2.07 0.38 -0.83 121.20 129.98 2ida s ILE 36 Ca -0.08 0.52 -0.29 0.00 -1.41 0.00 0.00 60.65 59.39 2ida s ILE 36 Cb -0.11 -3.61 0.00 0.00 0.13 0.00 0.00 42.46 38.87 2ida s ILE 36 CO -0.00 0.42 1.36 0.00 -1.91 0.00 0.00 174.94 174.81 2ida n ARG 38 N 7.67 0.46 -0.09 0.00 5.12 -1.08 -0.58 116.66 128.17 2ida n ARG 38 Ca 0.16 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.96 2ida n ARG 38 Cb 0.47 -1.20 -0.09 0.00 -1.16 0.00 0.00 32.46 30.48 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 -0.70 1.01 -0.71 0.55 -1.04 -1.26 -2.70 114.28 109.43 2ida n THR 39 Ca 0.04 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.62 2ida n THR 39 Cb 0.02 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 67.51 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 -0.07 0.45 3.71 0.00 0.00 0.26 -4.95 105.19 104.59 2ida n GLY 41 Ca 0.00 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.79 3.61 -0.18 1.61 5.65 -1.25 -2.06 115.29 120.88 2ida s HIS 42 Ca 0.00 1.42 -0.15 0.00 0.25 0.00 0.00 55.06 56.58 2ida s HIS 42 Cb 0.00 -2.92 -0.04 0.00 -1.18 0.00 0.00 32.58 28.44 2ida s HIS 42 CO 0.00 0.05 0.37 0.08 -0.65 0.00 0.00 174.74 174.59 2ida s VAL 43 N 0.88 5.24 0.12 0.89 1.01 -1.26 -0.76 120.40 126.51 2ida s VAL 43 Ca 0.43 0.66 0.04 0.00 0.00 0.00 0.00 61.98 63.11 2ida s VAL 43 Cb -0.19 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2ida s VAL 43 CO 0.22 0.30 -0.11 -0.83 0.00 0.00 0.00 175.10 174.68 2ida s GLY 44 N 0.85 0.98 0.43 4.51 0.00 -0.01 -1.39 107.32 112.70 2ida s GLY 44 Ca 0.18 -1.33 -0.22 0.00 0.00 0.00 0.00 44.72 43.36 2ida s GLY 44 CO 0.07 -1.41 0.97 0.00 0.00 0.00 0.00 173.10 172.73 2ida h ASP 47 N -0.92 0.00 -0.97 0.00 2.03 -1.91 -1.43 116.42 113.22 2ida h ASP 47 Ca -0.46 0.00 0.01 0.00 -0.73 0.00 0.00 57.03 55.85 2ida h ASP 47 Cb 1.30 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.75 2ida h ASP 47 CO 0.46 0.00 0.64 -0.78 -1.03 0.00 0.00 179.24 178.53 2ida h ASP 48 N 0.00 1.11 -3.86 4.15 1.82 -1.95 -3.41 116.42 114.28 2ida h ASP 48 Ca 0.00 -0.03 -0.50 0.00 -0.39 0.00 0.00 57.03 56.12 2ida h ASP 48 Cb 0.14 -0.28 0.02 0.00 0.68 0.00 0.00 39.33 39.90 2ida h ASP 48 CO 0.00 0.80 0.45 -0.44 -1.61 0.00 0.00 179.24 178.44 2ida s SER 49 N -6.15 7.08 0.53 2.28 0.01 -0.54 -4.92 113.70 111.99 2ida s SER 49 Ca -0.13 2.18 0.33 0.00 1.31 0.00 0.00 55.95 59.64 2ida s SER 49 Cb 0.18 -2.61 1.48 0.00 0.21 0.00 0.00 66.02 65.28 2ida s SER 49 CO 0.81 -0.27 1.84 1.55 0.41 0.00 0.00 173.24 177.59 2ida h PRO 50 N 3.33 0.03 -0.53 12.44 0.13 -1.85 0.59 132.00 146.15 2ida h PRO 50 Ca -0.47 -0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 2ida h PRO 50 Cb 1.21 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2ida h PRO 50 CO 0.65 0.02 0.11 0.45 -0.23 0.00 0.00 178.00 179.00 2ida h HIS 51 N 0.03 0.91 -5.67 1.56 3.86 -1.90 -3.47 115.15 110.48 2ida h HIS 51 Ca 0.50 -0.12 -0.42 0.00 -1.16 0.00 0.00 60.37 59.17 2ida h HIS 51 Cb 1.94 -0.25 -0.06 0.00 1.06 0.00 0.00 27.41 30.10 2ida h HIS 51 CO -0.00 0.81 -0.64 1.63 0.86 0.00 0.00 177.93 180.59 2ida n LYS 52 N -4.40 -4.11 0.19 2.45 5.02 0.20 -4.84 118.16 112.67 2ida n LYS 52 Ca 0.02 0.55 0.14 0.00 -2.02 0.00 0.00 58.31 57.00 2ida n LYS 52 Cb 0.25 -5.33 0.58 0.00 -0.02 0.00 0.00 35.03 30.50 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 -1.36 0.00 -0.11 2.13 2.76 -1.81 -2.49 115.15 114.27 2ida h HIS 53 Ca -0.50 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 57.65 2ida h HIS 53 Cb 1.33 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.29 2ida h HIS 53 CO 0.62 0.00 -0.03 0.00 -1.30 0.00 0.00 177.93 177.23 2ida h ALA 54 N 2.16 0.15 -0.41 5.26 0.00 -1.78 0.50 119.26 125.14 2ida h ALA 54 Ca 0.00 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 2ida h ALA 54 Cb 0.43 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2ida h ALA 54 CO 0.00 -0.11 -0.32 1.79 0.00 0.00 0.00 179.25 180.61 2ida h THR 55 N -0.11 1.27 -0.62 0.00 1.35 -1.76 -2.30 112.91 110.74 2ida h THR 55 Ca 0.03 -1.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.40 2ida h THR 55 Cb 0.44 1.30 -0.03 0.00 -1.73 0.00 0.00 68.15 68.13 2ida h THR 55 CO 0.01 0.50 0.39 0.03 -0.25 0.00 0.00 175.52 176.20 2ida h ARG 56 N 0.77 0.84 -0.75 4.72 3.08 -1.46 -2.34 114.38 119.24 2ida h ARG 56 Ca 0.08 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.08 2ida h ARG 56 Cb 0.90 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.73 2ida h ARG 56 CO 0.08 0.58 0.50 1.25 -1.07 0.00 0.00 179.97 181.32 2ida h HIS 57 N 0.84 0.93 -0.34 3.04 2.76 -0.65 -0.54 115.15 121.20 2ida h HIS 57 Ca 0.23 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.44 2ida h HIS 57 Cb -0.05 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 28.57 2ida h HIS 57 CO -0.02 0.58 0.19 0.35 -1.30 0.00 0.00 177.93 177.72 2ida h PHE 58 N 1.00 0.35 -0.03 5.26 3.57 -0.87 0.14 116.94 126.36 2ida h PHE 58 Ca 0.28 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.67 2ida h PHE 58 Cb -0.08 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 2ida h PHE 58 CO -0.00 0.20 -0.57 0.45 -2.23 0.00 0.00 178.31 176.16 2ida h HIS 59 N 0.38 0.11 -0.03 0.41 3.86 -1.16 0.33 115.15 119.05 2ida h HIS 59 Ca 0.14 -0.04 -0.09 0.00 -1.16 0.00 0.00 60.37 59.22 2ida h HIS 59 Cb 0.03 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 28.48 2ida h HIS 59 CO -0.09 0.64 -0.32 0.00 0.86 0.00 0.00 177.93 179.03 2ida h ALA 60 N 1.36 0.08 0.00 2.45 0.00 -0.63 -3.37 119.26 119.14 2ida h ALA 60 Ca -0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 2ida h ALA 60 Cb 1.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2ida h ALA 60 CO 0.08 0.15 -1.98 0.25 0.00 0.00 0.00 179.25 177.75 2ida n THR 61 N -4.45 0.20 -2.35 0.00 -2.24 0.46 -5.01 114.28 100.90 2ida n THR 61 Ca -0.09 -0.51 -0.01 0.00 -2.27 0.00 0.00 64.05 61.16 2ida n THR 61 Cb 0.52 -0.04 0.01 0.00 -2.10 0.00 0.00 70.33 68.71 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 1.43 0.64 3.04 3.38 0.00 0.12 -5.04 105.19 108.75 2ida n GLY 62 Ca -0.08 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.02 3.64 -1.59 1.61 3.76 -1.16 -4.98 115.29 113.54 2ida s HIS 63 Ca 0.02 -2.86 0.30 0.00 -0.15 0.00 0.00 55.06 52.37 2ida s HIS 63 Cb -0.01 -3.01 1.48 0.00 1.11 0.00 0.00 32.58 32.16 2ida s HIS 63 CO 0.05 -0.93 2.02 -0.35 -0.85 0.00 0.00 174.74 174.68 2ida n PRO 64 N 4.18 0.60 -4.71 8.40 -0.04 -1.26 -4.53 135.00 137.64 2ida n PRO 64 Ca 0.03 -0.08 -0.26 0.00 -0.04 0.00 0.00 63.50 63.14 2ida n PRO 64 Cb 0.41 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.20 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 -2.45 1.34 0.37 0.52 1.01 -1.26 -0.51 121.20 120.22 2ida s ILE 65 Ca 0.32 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.41 2ida s ILE 65 Cb 0.20 -1.20 -0.05 0.00 0.01 0.00 0.00 42.46 41.42 2ida s ILE 65 CO 0.45 0.40 0.08 0.27 0.00 0.00 0.00 174.94 176.14 2ida s ILE 66 N 0.62 0.99 0.01 2.92 -4.36 -0.01 -2.63 121.20 118.75 2ida s ILE 66 Ca -0.15 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.27 2ida s ILE 66 Cb -0.16 -2.58 -0.01 0.00 1.25 0.00 0.00 42.46 40.95 2ida s ILE 66 CO 0.05 0.00 -0.08 -0.70 0.24 0.00 0.00 174.94 174.44 2ida s GLU 67 N -3.82 0.63 -0.40 0.37 2.12 0.11 0.09 118.70 117.80 2ida s GLU 67 Ca 0.29 -0.46 -0.27 0.00 0.36 0.00 0.00 54.97 54.89 2ida s GLU 67 Cb 0.06 -0.57 -0.04 0.00 0.26 0.00 0.00 34.13 33.85 2ida s GLU 67 CO 0.14 0.14 2.04 0.20 -0.54 0.00 0.00 175.26 177.24 2ida s GLY 68 N -0.66 0.34 -0.16 -1.50 0.00 0.77 -0.47 107.32 105.65 2ida s GLY 68 Ca -0.00 0.15 -0.02 0.00 0.00 0.00 0.00 44.72 44.85 2ida s GLY 68 CO 0.00 3.61 0.21 2.98 0.00 0.00 0.00 173.10 179.90 2ida n TYR 69 N 12.31 0.83 -0.01 1.90 9.36 -0.33 -4.35 117.16 136.87 2ida n TYR 69 Ca 0.27 0.19 -0.12 0.00 3.32 0.00 0.00 57.90 61.56 2ida n TYR 69 Cb 0.49 -1.11 0.01 0.00 -0.63 0.00 0.00 39.34 38.10 2ida n TYR 69 CO 0.00 0.00 0.00 0.38 0.22 0.00 0.00 176.86 177.46 2ida h ASP 70 N 0.04 0.72 -3.36 2.98 2.03 -1.42 -3.43 116.42 113.98 2ida h ASP 70 Ca -0.46 -0.42 -0.56 0.00 -0.73 0.00 0.00 57.03 54.86 2ida h ASP 70 Cb 2.00 -0.21 -0.06 0.00 -0.83 0.00 0.00 39.33 40.24 2ida h ASP 70 CO 0.04 1.17 0.05 -2.16 -1.03 0.00 0.00 179.24 177.31 2ida s PRO 71 N -3.91 4.42 0.00 4.15 0.04 -1.26 -4.95 135.00 133.50 2ida s PRO 71 Ca -0.08 0.82 -0.01 0.00 0.04 0.00 0.00 61.00 61.76 2ida s PRO 71 Cb 0.10 -3.44 -0.05 0.00 0.04 0.00 0.00 34.50 31.16 2ida s PRO 71 CO 0.86 0.10 1.53 -0.35 0.04 0.00 0.00 177.00 179.19 2ida n PRO 72 N 3.67 0.77 -0.08 0.56 -0.04 -1.26 -3.90 135.00 134.72 2ida n PRO 72 Ca -0.02 -0.17 -0.09 0.00 -0.04 0.00 0.00 63.50 63.17 2ida n PRO 72 Cb 0.51 -1.37 -0.03 0.00 -0.04 0.00 0.00 33.50 32.57 2ida n PRO 72 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2ida n GLU 73 N 1.98 0.50 -0.20 0.54 1.02 -1.26 -5.10 120.64 118.13 2ida n GLU 73 Ca 0.07 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 2ida n GLU 73 Cb 0.37 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 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 1.57 0.56 3.11 0.62 0.00 -1.25 -4.57 105.19 105.22 2ida n GLY 74 Ca -0.15 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.54 0.24 0.06 1.61 1.48 -1.26 -0.74 118.94 119.78 2ida s TRP 75 Ca 0.00 -0.58 0.07 0.00 -1.06 0.00 0.00 56.10 54.53 2ida s TRP 75 Cb 0.00 -0.17 -0.04 0.00 -1.16 0.00 0.00 33.47 32.10 2ida s TRP 75 CO 0.00 -0.36 -0.15 0.20 -4.06 0.00 0.00 176.95 172.58 2ida s GLY 76 N -2.22 1.66 -0.10 3.67 0.00 0.20 -0.16 107.32 110.36 2ida s GLY 76 Ca -0.04 -1.20 0.04 0.00 0.00 0.00 0.00 44.72 43.52 2ida s GLY 76 CO -0.05 -1.12 -0.24 0.86 0.00 0.00 0.00 173.10 172.55 2ida s TRP 77 N -1.02 2.54 -0.29 1.90 -0.11 0.11 -1.25 118.94 120.81 2ida s TRP 77 Ca 0.17 -1.03 -0.06 0.00 1.22 0.00 0.00 56.10 56.40 2ida s TRP 77 Cb -0.11 -1.70 0.01 0.00 -1.50 0.00 0.00 33.47 30.18 2ida s TRP 77 CO 0.08 -0.41 0.07 0.00 -4.62 0.00 0.00 176.95 172.07 2ida h TYR 79 N 8.21 -0.80 0.00 0.00 0.05 -1.14 0.55 116.97 123.85 2ida h TYR 79 Ca -0.31 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.46 2ida h TYR 79 Cb 1.12 0.31 -0.00 0.00 1.01 0.00 0.00 36.73 39.18 2ida h TYR 79 CO 0.61 -0.38 -0.05 -0.39 -1.05 0.00 0.00 178.16 176.91 2ida h VAL 80 N -0.56 0.21 0.11 -2.88 -1.51 -1.96 -2.17 116.25 107.50 2ida h VAL 80 Ca -0.03 -0.37 -0.32 0.00 -1.23 0.00 0.00 66.70 64.74 2ida h VAL 80 Cb 0.49 1.30 -0.01 0.00 -2.13 0.00 0.00 31.29 30.93 2ida h VAL 80 CO -0.05 0.05 -1.67 0.44 -1.23 0.00 0.00 177.57 175.11 2ida h ASP 81 N 0.00 0.38 -1.01 4.19 5.19 -1.84 -3.48 116.42 119.85 2ida h ASP 81 Ca -0.00 -0.61 -0.28 0.00 -0.62 0.00 0.00 57.03 55.52 2ida h ASP 81 Cb 0.29 -0.12 -0.09 0.00 0.18 0.00 0.00 39.33 39.60 2ida h ASP 81 CO 0.01 1.52 -0.28 -0.62 -3.12 0.00 0.00 179.24 176.74 2ida n GLU 82 N -3.43 -1.00 -4.52 3.56 1.02 0.19 -5.00 120.64 111.46 2ida n GLU 82 Ca -0.20 0.91 -0.34 0.00 -0.02 0.00 0.00 57.16 57.50 2ida n GLU 82 Cb 1.05 -5.04 -0.11 0.00 -0.02 0.00 0.00 31.44 27.32 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 -2.56 3.95 -0.14 2.62 -7.23 -1.23 -4.96 120.40 110.84 2ida s VAL 83 Ca 0.00 -0.39 -0.04 0.00 -1.81 0.00 0.00 61.98 59.74 2ida s VAL 83 Cb 0.00 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 2ida s VAL 83 CO 0.00 0.60 -0.00 -0.32 -0.31 0.00 0.00 175.10 175.07 2ida s MET 84 N -0.81 3.54 0.09 4.82 1.75 -1.26 -2.39 119.30 125.04 2ida s MET 84 Ca 0.12 -0.44 0.04 0.00 -1.25 0.00 0.00 55.69 54.16 2ida s MET 84 Cb -0.11 -2.95 -0.03 0.00 2.84 0.00 0.00 34.83 34.58 2ida s MET 84 CO 0.02 0.39 -0.11 -0.59 -0.65 0.00 0.00 175.02 174.07 2ida s PHE 85 N -0.01 1.13 0.16 4.11 -0.12 -0.38 -0.51 117.98 122.35 2ida s PHE 85 Ca 0.03 -0.59 -0.30 0.00 -0.05 0.00 0.00 56.93 56.02 2ida s PHE 85 Cb -0.13 -0.62 -0.07 0.00 -0.63 0.00 0.00 43.02 41.57 2ida s PHE 85 CO 0.02 0.03 1.02 0.34 -0.05 0.00 0.00 175.22 176.58 2ida s ASP 86 N -2.26 7.42 -0.05 1.98 -1.08 -1.26 0.59 116.67 122.01 2ida s ASP 86 Ca 0.04 1.96 0.07 0.00 -0.52 0.00 0.00 52.55 54.09 2ida s ASP 86 Cb -0.05 -2.60 0.10 0.00 -1.46 0.00 0.00 42.92 38.91 2ida s ASP 86 CO 0.01 -0.10 0.97 0.18 0.52 0.00 0.00 175.17 176.75 2ida n LEU 87 N 2.37 1.20 0.28 -1.34 4.77 0.08 -4.77 117.00 119.60 2ida n LEU 87 Ca 0.02 -1.77 0.14 0.00 -0.03 0.00 0.00 56.01 54.37 2ida n LEU 87 Cb 0.47 -0.15 0.84 0.00 -2.33 0.00 0.00 43.42 42.25 2ida n LEU 87 CO 0.52 0.42 1.08 -1.28 -1.33 0.00 0.00 177.39 176.80 2ida h SER 88 N 0.00 0.00 1.06 -1.43 0.87 -1.33 0.36 113.55 113.08 2ida h SER 88 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2ida h SER 88 Cb 1.03 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.98 2ida h SER 88 CO 0.00 0.04 -0.15 -0.78 -0.53 0.00 0.00 176.83 175.40 2ida h ASP 89 N 0.00 0.00 -0.12 6.23 1.82 -1.88 -3.30 116.42 119.16 2ida h ASP 89 Ca -0.00 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.44 2ida h ASP 89 Cb 0.10 0.00 -0.38 0.00 0.68 0.00 0.00 39.33 39.72 2ida h ASP 89 CO 0.00 0.15 -1.04 -2.11 -1.61 0.00 0.00 179.24 174.63 2ida n ARG 90 N -3.27 0.55 -2.17 0.28 1.85 0.78 -5.11 116.66 109.57 2ida n ARG 90 Ca 0.01 -2.47 -0.27 0.00 -1.00 0.00 0.00 57.85 54.11 2ida n ARG 90 Cb 0.41 -0.50 0.05 0.00 -1.05 0.00 0.00 32.46 31.37 2ida n ARG 90 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ida s MET 91 N -1.16 2.61 -0.25 2.89 0.23 0.90 -4.81 119.30 119.71 2ida s MET 91 Ca 0.32 0.05 -0.19 0.00 -1.03 0.00 0.00 55.69 54.85 2ida s MET 91 Cb 0.37 -2.15 -0.03 0.00 -1.53 0.00 0.00 34.83 31.50 2ida s MET 91 CO -0.13 -1.02 0.55 0.99 -2.03 0.00 0.00 175.02 173.38 2ida s THR 92 N -3.21 5.05 0.88 3.16 2.01 -1.26 -5.00 115.64 117.27 2ida s THR 92 Ca 0.57 0.97 -0.11 0.00 0.31 0.00 0.00 61.69 63.43 2ida s THR 92 Cb -0.11 -3.86 0.12 0.00 0.01 0.00 0.00 72.50 68.66 2ida s THR 92 CO 0.47 0.09 1.10 -2.84 -0.69 0.00 0.00 174.62 172.75 2ida s PRO 93 N 2.21 1.35 0.44 4.92 0.02 -1.26 -4.99 135.00 137.69 2ida s PRO 93 Ca 0.23 1.08 -0.22 0.00 0.02 0.00 0.00 61.00 62.12 2ida s PRO 93 Cb -0.16 -1.80 -0.09 0.00 0.02 0.00 0.00 34.50 32.47 2ida s PRO 93 CO 0.09 -2.25 1.01 -1.01 -0.33 0.00 0.00 177.00 174.51 2ida s HIS 94 N -2.83 3.18 -2.02 6.54 3.76 -1.26 -4.73 115.29 117.93 2ida s HIS 94 Ca 0.64 1.61 0.15 0.00 -0.15 0.00 0.00 55.06 57.31 2ida s HIS 94 Cb -0.19 -3.01 0.44 0.00 1.11 0.00 0.00 32.58 30.92 2ida s HIS 94 CO 0.57 -0.54 1.36 -1.71 -0.85 0.00 0.00 174.74 173.58 2ida n ASN 95 N -0.60 2.55 0.00 1.40 5.15 -1.26 -5.00 115.26 117.50 2ida n ASN 95 Ca 0.07 -1.99 0.00 0.00 -0.60 0.00 0.00 54.58 52.06 2ida n ASN 95 Cb 0.52 -0.31 0.00 0.00 -0.53 0.00 0.00 39.78 39.46 2ida n ASN 95 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ida n GLY 96 N 1.26 0.57 3.65 8.20 0.00 -1.26 -4.90 105.19 112.70 2ida n GLY 96 Ca 0.16 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 2ida n GLY 96 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2ida s PRO 97 N -1.53 3.97 -0.15 1.61 0.02 -1.26 -4.99 135.00 132.67 2ida s PRO 97 Ca 0.00 2.10 -0.15 0.00 0.02 0.00 0.00 61.00 62.97 2ida s PRO 97 Cb 0.00 -4.07 -0.04 0.00 0.02 0.00 0.00 34.50 30.41 2ida s PRO 97 CO 0.00 -1.11 0.35 0.42 -0.33 0.00 0.00 177.00 176.33 2ida s ILE 98 N 4.83 5.27 -0.38 2.83 1.01 -1.26 -4.98 121.20 128.52 2ida s ILE 98 Ca 0.78 0.67 -0.28 0.00 0.00 0.00 0.00 60.65 61.82 2ida s ILE 98 Cb -0.32 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.43 2ida s ILE 98 CO 0.32 0.37 1.88 -2.16 0.00 0.00 0.00 174.94 175.34 2ida s PRO 99 N 0.55 3.12 -0.01 2.79 0.04 -1.26 -4.98 135.00 135.24 2ida s PRO 99 Ca 0.19 1.33 -0.19 0.00 0.04 0.00 0.00 61.00 62.37 2ida s PRO 99 Cb -0.14 -4.27 -0.05 0.00 0.04 0.00 0.00 34.50 30.08 2ida s PRO 99 CO 0.06 -2.11 0.55 0.50 0.04 0.00 0.00 177.00 176.03 2ida s ARG 100 N 6.11 4.25 -0.04 4.56 3.00 -1.26 -4.96 118.95 130.60 2ida s ARG 100 Ca 0.80 0.65 -0.07 0.00 -1.00 0.00 0.00 55.73 56.12 2ida s ARG 100 Cb -0.21 -3.32 -0.02 0.00 0.00 0.00 0.00 34.95 31.39 2ida s ARG 100 CO 0.31 0.42 -0.13 0.66 0.00 0.00 0.00 175.30 176.56 2ida n TYR 101 N 2.59 0.00 0.42 5.12 4.01 -1.26 -5.11 117.16 122.93 2ida n TYR 101 Ca -0.08 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.69 2ida n TYR 101 Cb 0.51 -0.18 0.20 0.00 -0.31 0.00 0.00 39.34 39.56 2ida n TYR 101 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73