#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 2.94 0.00 1.12 5.66 -1.26 -4.81 114.28 117.93 2ida n THR 2 Ca 0.00 -2.40 0.00 0.00 -3.05 0.00 0.00 64.05 58.60 2ida n THR 2 Cb 0.00 -2.48 0.00 0.00 -1.55 0.00 0.00 70.33 66.30 2ida n THR 2 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 2ida n MET 3 N 6.00 0.00 0.00 1.09 2.81 -1.26 -4.84 117.12 120.91 2ida n MET 3 Ca 0.53 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.42 2ida n MET 3 Cb 0.36 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.87 2ida n MET 3 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ida n GLY 4 N 0.00 -0.52 3.75 3.03 0.00 -1.26 -4.45 105.19 105.73 2ida n GLY 4 Ca 0.00 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 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 2.04 0.00 0.00 0.00 0.11 -2.02 -2.18 114.38 112.33 2ida h ARG 6 Ca -0.29 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.77 2ida h ARG 6 Cb 1.25 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.33 2ida h ARG 6 CO 0.37 0.11 -0.10 0.45 0.10 0.00 0.00 179.97 180.90 2ida h HIS 7 N 0.00 0.00 -0.04 4.08 3.86 -2.00 -1.38 115.15 119.68 2ida h HIS 7 Ca -0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 2ida h HIS 7 Cb 0.33 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 2ida h HIS 7 CO 0.00 0.10 -0.16 0.28 0.86 0.00 0.00 177.93 179.00 2ida h VAL 8 N 0.00 1.14 0.00 2.45 2.07 -1.75 -0.61 116.25 119.55 2ida h VAL 8 Ca -0.00 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2ida h VAL 8 Cb 0.25 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2ida h VAL 8 CO 0.01 0.19 0.00 0.00 0.02 0.00 0.00 177.57 177.79 2ida h ALA 9 N 1.78 1.00 0.00 1.67 0.00 -1.41 -3.02 119.26 119.29 2ida h ALA 9 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2ida h ALA 9 Cb 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2ida h ALA 9 CO 0.02 0.00 -1.15 0.41 0.00 0.00 0.00 179.25 178.53 2ida n GLY 10 N 0.73 -1.38 3.89 0.00 0.00 -0.30 -4.89 105.19 103.24 2ida n GLY 10 Ca 0.03 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.27 4.97 0.31 -0.61 -4.36 -0.81 -5.04 121.20 112.39 2ida s ILE 11 Ca -0.01 0.22 0.03 0.00 -0.26 0.00 0.00 60.65 60.63 2ida s ILE 11 Cb 0.10 -3.70 -0.05 0.00 1.25 0.00 0.00 42.46 40.05 2ida s ILE 11 CO 0.80 -0.28 0.10 0.00 0.24 0.00 0.00 174.94 175.80 2ida s ARG 12 N -3.41 1.60 -0.76 0.37 1.04 -1.22 -4.94 118.95 111.64 2ida s ARG 12 Ca 0.46 -1.90 -0.26 0.00 -1.04 0.00 0.00 55.73 52.98 2ida s ARG 12 Cb -0.11 -0.49 -0.00 0.00 -2.04 0.00 0.00 34.95 32.31 2ida s ARG 12 CO 0.28 -0.32 1.67 0.99 -0.04 0.00 0.00 175.30 177.88 2ida s THR 13 N -3.50 3.54 0.55 4.99 2.01 -1.26 -4.77 115.64 117.20 2ida s THR 13 Ca 0.35 0.01 -0.07 0.00 0.31 0.00 0.00 61.69 62.29 2ida s THR 13 Cb 0.07 -4.36 -0.03 0.00 0.01 0.00 0.00 72.50 68.19 2ida s THR 13 CO 0.15 -1.31 0.89 0.68 -0.69 0.00 0.00 174.62 174.34 2ida s VAL 14 N 7.86 4.57 -0.18 3.82 -7.23 -1.26 -5.07 120.40 122.91 2ida s VAL 14 Ca 0.56 0.36 -0.14 0.00 -1.81 0.00 0.00 61.98 60.95 2ida s VAL 14 Cb -0.09 -3.78 -0.04 0.00 0.56 0.00 0.00 36.38 33.03 2ida s VAL 14 CO 0.11 -0.85 0.30 -0.89 -0.31 0.00 0.00 175.10 173.46 2ida s THR 15 N -2.93 5.29 -0.35 5.32 2.01 -1.26 -4.79 115.64 118.93 2ida s THR 15 Ca 0.51 0.55 -0.31 0.00 0.31 0.00 0.00 61.69 62.76 2ida s THR 15 Cb -0.11 -3.64 -0.09 0.00 0.01 0.00 0.00 72.50 68.68 2ida s THR 15 CO 0.48 0.35 2.27 -2.65 -0.69 0.00 0.00 174.62 174.38 2ida n PRO 16 N 3.84 1.37 -0.08 4.92 -0.02 -1.26 -4.69 135.00 139.08 2ida n PRO 16 Ca -0.11 0.32 0.02 0.00 -2.02 0.00 0.00 63.50 61.71 2ida n PRO 16 Cb 0.52 -2.90 0.06 0.00 -0.02 0.00 0.00 33.50 31.15 2ida n PRO 16 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2ida n SER 17 N 11.72 0.90 -3.54 2.55 2.88 -0.59 -4.78 113.62 122.75 2ida n SER 17 Ca 0.37 -2.03 -0.15 0.00 -1.33 0.00 0.00 58.87 55.73 2ida n SER 17 Cb 0.36 -0.17 -0.06 0.00 -0.75 0.00 0.00 64.21 63.60 2ida n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ida s ALA 18 N -1.73 -1.83 -0.11 -1.46 0.00 -1.26 -4.85 121.76 110.51 2ida s ALA 18 Ca 0.09 1.42 -0.26 0.00 0.00 0.00 0.00 51.96 53.21 2ida s ALA 18 Cb 0.05 -0.26 -0.27 0.00 0.00 0.00 0.00 23.12 22.63 2ida s ALA 18 CO 0.05 -0.35 0.78 -0.07 0.00 0.00 0.00 175.76 176.17 2ida h LEU 19 N 2.85 0.16 0.00 0.00 4.07 -1.96 -3.45 115.31 116.99 2ida h LEU 19 Ca -0.24 -0.96 0.00 0.00 0.08 0.00 0.00 57.88 56.76 2ida h LEU 19 Cb 1.15 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.84 2ida h LEU 19 CO 0.36 1.17 0.00 0.61 -1.08 0.00 0.00 178.44 179.50 2ida n GLY 20 N 1.63 5.19 3.57 0.83 0.00 -1.26 -4.85 105.19 110.30 2ida n GLY 20 Ca -0.13 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 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 11.47 0.60 0.93 0.00 4.81 -1.94 0.30 114.58 130.75 2ida h GLU 22 Ca -0.27 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 58.88 2ida h GLU 22 Cb 1.10 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 30.35 2ida h GLU 22 CO 1.19 0.40 -0.45 1.49 -0.73 0.00 0.00 179.01 180.91 2ida h GLU 23 N 0.62 -1.20 -0.99 1.92 4.57 -1.89 -1.05 114.58 116.56 2ida h GLU 23 Ca 0.55 0.08 0.16 0.00 -1.18 0.00 0.00 59.36 58.97 2ida h GLU 23 Cb 1.05 0.27 -0.10 0.00 -0.16 0.00 0.00 28.75 29.81 2ida h GLU 23 CO -0.31 -0.80 0.60 0.00 -1.18 0.00 0.00 179.01 177.32 2ida h LEU 25 N 0.84 0.00 0.00 0.00 3.38 -0.15 0.17 115.31 119.54 2ida h LEU 25 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.51 2ida h LEU 25 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2ida h LEU 25 CO -0.34 0.00 -0.33 0.07 0.09 0.00 0.00 178.44 177.93 2ida h LYS 26 N 0.00 0.00 -0.00 1.13 2.10 -0.24 -3.33 116.57 116.22 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 0.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 2ida h LYS 26 CO 0.00 0.00 -0.04 0.44 -2.00 0.00 0.00 179.45 177.85 2ida n ILE 27 N -2.78 0.00 -2.62 0.07 -5.35 -0.91 -5.02 119.36 102.75 2ida n ILE 27 Ca 0.03 -0.48 -0.04 0.00 -0.27 0.00 0.00 62.75 61.99 2ida n ILE 27 Cb 0.51 1.02 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 0.61 0.58 3.47 3.28 0.00 0.36 -5.06 105.19 108.44 2ida n GLY 28 Ca 0.01 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 2ida n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ida s SER 29 N -3.11 3.68 0.97 1.61 0.01 0.07 -5.02 113.70 111.91 2ida s SER 29 Ca 0.09 -0.86 -0.15 0.00 1.31 0.00 0.00 55.95 56.34 2ida s SER 29 Cb -0.04 -0.38 0.22 0.00 0.21 0.00 0.00 66.02 66.03 2ida s SER 29 CO 0.14 0.09 1.32 -2.16 0.41 0.00 0.00 173.24 173.04 2ida s PRO 30 N -3.01 0.50 0.16 12.44 0.04 -1.26 -4.37 135.00 139.50 2ida s PRO 30 Ca 0.25 -0.59 -0.08 0.00 0.04 0.00 0.00 61.00 60.62 2ida s PRO 30 Cb -0.07 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 2ida s PRO 30 CO 0.13 -2.47 0.26 1.67 0.04 0.00 0.00 177.00 176.63 2ida s TRP 31 N -3.87 0.42 -0.04 0.56 -2.14 -1.26 -4.88 118.94 107.72 2ida s TRP 31 Ca 0.75 -0.79 -0.03 0.00 2.66 0.00 0.00 56.10 58.69 2ida s TRP 31 Cb -0.03 -0.09 -0.01 0.00 -3.10 0.00 0.00 33.47 30.24 2ida s TRP 31 CO 0.53 -0.69 -0.06 0.28 -2.66 0.00 0.00 176.95 174.35 2ida n VAL 32 N -0.20 0.44 -4.18 -0.66 0.31 -1.26 -4.31 118.33 108.47 2ida n VAL 32 Ca -0.08 0.41 -0.16 0.00 -0.01 0.00 0.00 64.34 64.51 2ida n VAL 32 Cb 0.63 -1.78 -0.11 0.00 -0.91 0.00 0.00 33.84 31.67 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 -1.39 1.15 -0.18 3.52 0.09 -1.26 -4.69 115.29 112.52 2ida s HIS 33 Ca -0.05 -0.59 -0.09 0.00 -0.00 0.00 0.00 55.06 54.34 2ida s HIS 33 Cb 0.01 -0.62 -0.05 0.00 -0.00 0.00 0.00 32.58 31.92 2ida s HIS 33 CO 0.07 0.04 0.10 -0.51 -0.00 0.00 0.00 174.74 174.44 2ida s LEU 34 N -2.27 4.07 -0.26 0.89 1.43 -1.26 -1.94 118.68 119.34 2ida s LEU 34 Ca 0.04 0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 2ida s LEU 34 Cb -0.05 -2.04 0.06 0.00 0.03 0.00 0.00 46.19 44.20 2ida s LEU 34 CO 0.01 0.20 -0.09 -0.13 0.23 0.00 0.00 176.35 176.57 2ida s ARG 35 N 0.22 2.11 -0.25 1.70 1.81 -0.06 -0.92 118.95 123.56 2ida s ARG 35 Ca 0.07 -1.33 -0.15 0.00 -1.72 0.00 0.00 55.73 52.61 2ida s ARG 35 Cb -0.12 -2.86 -0.04 0.00 -0.45 0.00 0.00 34.95 31.48 2ida s ARG 35 CO -0.01 -0.60 0.35 -1.50 -0.68 0.00 0.00 175.30 172.87 2ida s ILE 36 N 1.13 5.21 -0.24 1.52 2.07 0.47 -0.59 121.20 130.77 2ida s ILE 36 Ca -0.07 0.55 -0.29 0.00 -1.41 0.00 0.00 60.65 59.42 2ida s ILE 36 Cb -0.20 -3.68 -0.01 0.00 0.13 0.00 0.00 42.46 38.70 2ida s ILE 36 CO -0.05 0.21 1.38 0.00 -1.91 0.00 0.00 174.94 174.56 2ida n ARG 38 N 7.23 0.62 -0.08 0.00 5.12 -0.85 -0.76 116.66 127.95 2ida n ARG 38 Ca 0.16 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 56.00 2ida n ARG 38 Cb 0.46 -1.40 -0.03 0.00 -1.16 0.00 0.00 32.46 30.33 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 -0.90 1.33 0.64 0.55 -1.04 -1.26 -3.46 114.28 110.13 2ida n THR 39 Ca 0.12 0.19 0.10 0.00 -2.04 0.00 0.00 64.05 62.42 2ida n THR 39 Cb 0.05 -2.26 0.12 0.00 -1.82 0.00 0.00 70.33 66.43 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 1.21 0.59 3.77 0.00 0.00 0.06 -4.94 105.19 105.88 2ida n GLY 41 Ca 0.14 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.93 3.57 -0.07 1.61 5.65 -1.24 -1.55 115.29 121.33 2ida s HIS 42 Ca 0.00 0.81 -0.19 0.00 0.25 0.00 0.00 55.06 55.93 2ida s HIS 42 Cb 0.00 -2.36 -0.05 0.00 -1.18 0.00 0.00 32.58 28.99 2ida s HIS 42 CO 0.00 0.38 0.52 0.08 -0.65 0.00 0.00 174.74 175.06 2ida s VAL 43 N -0.07 5.09 0.27 0.89 1.01 -1.26 -0.72 120.40 125.61 2ida s VAL 43 Ca 0.21 1.05 0.02 0.00 0.00 0.00 0.00 61.98 63.26 2ida s VAL 43 Cb -0.15 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 2ida s VAL 43 CO 0.09 0.37 0.12 -0.83 0.00 0.00 0.00 175.10 174.85 2ida s GLY 44 N 0.24 1.84 0.12 4.51 0.00 0.24 -4.04 107.32 110.23 2ida s GLY 44 Ca 0.28 -1.81 -0.27 0.00 0.00 0.00 0.00 44.72 42.92 2ida s GLY 44 CO 0.13 -1.58 0.82 0.00 0.00 0.00 0.00 173.10 172.47 2ida n ASP 47 N -4.71 0.00 -0.28 0.00 5.75 -1.26 -2.68 116.55 113.38 2ida n ASP 47 Ca 0.07 0.31 -0.02 0.00 -0.01 0.00 0.00 54.79 55.15 2ida n ASP 47 Cb 0.57 -0.43 0.10 0.00 -1.03 0.00 0.00 41.12 40.34 2ida n ASP 47 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2ida h ASP 48 N 0.00 0.78 -3.48 -1.12 5.19 -1.94 -3.39 116.42 112.46 2ida h ASP 48 Ca 0.00 0.01 -0.53 0.00 -0.62 0.00 0.00 57.03 55.88 2ida h ASP 48 Cb 0.34 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 39.66 2ida h ASP 48 CO 0.00 0.52 0.23 -0.44 -3.12 0.00 0.00 179.24 176.43 2ida s SER 49 N -5.77 7.32 0.40 6.45 0.01 -1.09 -4.94 113.70 116.08 2ida s SER 49 Ca -0.13 1.57 0.24 0.00 1.31 0.00 0.00 55.95 58.94 2ida s SER 49 Cb 0.17 -2.51 1.30 0.00 0.21 0.00 0.00 66.02 65.18 2ida s SER 49 CO 0.78 -0.00 1.71 1.55 0.41 0.00 0.00 173.24 177.68 2ida h PRO 50 N 5.58 0.00 -0.66 12.44 0.13 -1.85 -0.33 132.00 147.32 2ida h PRO 50 Ca -0.44 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.62 2ida h PRO 50 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2ida h PRO 50 CO 0.71 0.00 0.13 1.25 -0.23 0.00 0.00 178.00 179.86 2ida h HIS 51 N 0.00 1.11 -6.58 1.56 2.76 -1.90 -3.47 115.15 108.64 2ida h HIS 51 Ca 0.00 -0.14 -0.52 0.00 -2.20 0.00 0.00 60.37 57.52 2ida h HIS 51 Cb 0.18 -0.31 -0.06 0.00 1.55 0.00 0.00 27.41 28.77 2ida h HIS 51 CO 0.00 0.92 -0.91 1.63 -1.30 0.00 0.00 177.93 178.27 2ida n LYS 52 N -4.23 -2.61 0.24 5.26 5.02 -0.14 -4.85 118.16 116.84 2ida n LYS 52 Ca 0.05 0.35 0.13 0.00 -2.02 0.00 0.00 58.31 56.82 2ida n LYS 52 Cb 0.27 -4.26 0.36 0.00 -0.02 0.00 0.00 35.03 31.38 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 -1.87 0.00 -0.12 2.13 2.76 -1.75 -2.10 115.15 114.20 2ida h HIS 53 Ca -0.64 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 57.42 2ida h HIS 53 Cb 1.38 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.34 2ida h HIS 53 CO 0.47 0.05 -0.36 0.00 -1.30 0.00 0.00 177.93 176.79 2ida h ALA 54 N 1.95 0.20 -0.07 5.26 0.00 -1.47 -1.78 119.26 123.36 2ida h ALA 54 Ca -0.00 -0.44 -0.15 0.00 0.00 0.00 0.00 54.91 54.31 2ida h ALA 54 Cb 0.84 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.61 2ida h ALA 54 CO 0.01 0.28 -0.56 1.79 0.00 0.00 0.00 179.25 180.77 2ida h THR 55 N 0.04 1.38 -0.01 0.00 1.35 -1.80 -2.88 112.91 110.99 2ida h THR 55 Ca -0.01 -1.92 0.00 0.00 -0.55 0.00 0.00 66.41 63.93 2ida h THR 55 Cb 0.98 2.32 -0.00 0.00 -1.73 0.00 0.00 68.15 69.72 2ida h THR 55 CO 0.08 0.57 0.01 0.03 -0.25 0.00 0.00 175.52 175.96 2ida h ARG 56 N 0.06 0.00 -0.53 4.72 3.08 -1.48 -1.60 114.38 118.63 2ida h ARG 56 Ca -0.05 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 2ida h ARG 56 Cb 1.22 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 2ida h ARG 56 CO 0.11 0.00 0.06 1.25 -1.07 0.00 0.00 179.97 180.32 2ida h HIS 57 N 0.00 0.97 -0.68 3.04 2.76 -1.13 -2.48 115.15 117.63 2ida h HIS 57 Ca 0.01 -0.15 -0.04 0.00 -2.20 0.00 0.00 60.37 57.99 2ida h HIS 57 Cb 0.02 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 28.69 2ida h HIS 57 CO 0.00 0.88 0.26 0.35 -1.30 0.00 0.00 177.93 178.12 2ida h PHE 58 N 0.78 1.01 0.00 5.26 3.57 -1.10 0.14 116.94 126.61 2ida h PHE 58 Ca 0.16 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 2ida h PHE 58 Cb 0.45 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2ida h PHE 58 CO 0.03 0.78 -0.24 0.45 -2.23 0.00 0.00 178.31 177.10 2ida h HIS 59 N 0.98 0.00 0.00 0.41 3.86 -1.26 0.91 115.15 120.04 2ida h HIS 59 Ca 0.23 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.21 2ida h HIS 59 Cb 0.20 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 2ida h HIS 59 CO 0.02 0.24 -1.24 0.00 0.86 0.00 0.00 177.93 177.81 2ida h ALA 60 N 1.76 0.26 0.00 2.45 0.00 -0.89 -3.42 119.26 119.42 2ida h ALA 60 Ca -0.00 -1.20 -0.21 0.00 0.00 0.00 0.00 54.91 53.49 2ida h ALA 60 Cb 0.56 0.73 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 2ida h ALA 60 CO 0.03 0.69 -1.83 0.25 0.00 0.00 0.00 179.25 178.39 2ida n THR 61 N -4.44 1.10 -2.58 0.00 -2.24 0.41 -5.00 114.28 101.54 2ida n THR 61 Ca -0.32 -0.72 -0.02 0.00 -2.27 0.00 0.00 64.05 60.72 2ida n THR 61 Cb 0.68 -0.56 0.01 0.00 -2.10 0.00 0.00 70.33 68.35 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 1.50 0.82 3.23 3.38 0.00 0.31 -5.03 105.19 109.39 2ida n GLY 62 Ca -0.16 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.01 3.40 -2.18 1.61 3.76 -1.25 -4.98 115.29 112.64 2ida s HIS 63 Ca 0.05 -1.77 0.28 0.00 -0.15 0.00 0.00 55.06 53.47 2ida s HIS 63 Cb -0.02 -3.18 1.45 0.00 1.11 0.00 0.00 32.58 31.93 2ida s HIS 63 CO 0.06 -0.92 1.96 -0.35 -0.85 0.00 0.00 174.74 174.64 2ida n PRO 64 N 4.87 1.27 -4.50 8.40 -0.04 -1.26 -4.60 135.00 139.13 2ida n PRO 64 Ca -0.08 -0.40 -0.27 0.00 -0.04 0.00 0.00 63.50 62.71 2ida n PRO 64 Cb 0.42 -1.46 -0.17 0.00 -0.04 0.00 0.00 33.50 32.25 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 -1.98 1.35 -0.02 0.52 1.01 -1.26 0.01 121.20 120.82 2ida s ILE 65 Ca 0.41 -0.57 0.04 0.00 0.00 0.00 0.00 60.65 60.53 2ida s ILE 65 Cb 0.20 -1.23 -0.01 0.00 0.01 0.00 0.00 42.46 41.43 2ida s ILE 65 CO 0.33 0.41 -0.13 0.27 0.00 0.00 0.00 174.94 175.82 2ida s ILE 66 N 0.89 1.05 0.05 2.92 -4.36 -0.07 -2.00 121.20 119.68 2ida s ILE 66 Ca -0.09 -0.55 0.01 0.00 -0.26 0.00 0.00 60.65 59.76 2ida s ILE 66 Cb -0.15 -0.89 -0.04 0.00 1.25 0.00 0.00 42.46 42.63 2ida s ILE 66 CO 0.01 0.30 0.11 -0.70 0.24 0.00 0.00 174.94 174.90 2ida s GLU 67 N -0.15 3.07 -0.44 0.37 2.12 0.13 0.75 118.70 124.55 2ida s GLU 67 Ca 0.02 -0.57 -0.28 0.00 0.36 0.00 0.00 54.97 54.50 2ida s GLU 67 Cb -0.07 -2.84 0.00 0.00 0.26 0.00 0.00 34.13 31.48 2ida s GLU 67 CO 0.00 0.60 1.50 0.20 -0.54 0.00 0.00 175.26 177.03 2ida s GLY 68 N -2.20 0.96 -0.04 -1.50 0.00 -0.77 -0.39 107.32 103.38 2ida s GLY 68 Ca 0.28 -0.21 0.16 0.00 0.00 0.00 0.00 44.72 44.96 2ida s GLY 68 CO 0.21 2.90 0.58 2.98 0.00 0.00 0.00 173.10 179.76 2ida n TYR 69 N 9.43 0.70 0.10 1.90 9.36 -0.10 -4.19 117.16 134.37 2ida n TYR 69 Ca 0.17 0.24 -0.18 0.00 3.32 0.00 0.00 57.90 61.45 2ida n TYR 69 Cb 0.48 -1.06 -0.12 0.00 -0.63 0.00 0.00 39.34 38.01 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 0.00 0.64 -3.50 2.98 2.03 -1.89 -3.43 116.42 113.25 2ida h ASP 70 Ca -0.28 -0.62 -0.61 0.00 -0.73 0.00 0.00 57.03 54.79 2ida h ASP 70 Cb 1.84 -0.20 -0.12 0.00 -0.83 0.00 0.00 39.33 40.02 2ida h ASP 70 CO 0.05 1.45 0.16 -2.16 -1.03 0.00 0.00 179.24 177.72 2ida s PRO 71 N -2.87 4.01 0.00 4.15 0.05 -1.26 -4.94 135.00 134.13 2ida s PRO 71 Ca -0.07 0.43 0.00 0.00 0.05 0.00 0.00 61.00 61.41 2ida s PRO 71 Cb 0.07 -3.69 0.00 0.00 0.05 0.00 0.00 34.50 30.93 2ida s PRO 71 CO 0.90 -0.50 0.89 -2.30 0.05 0.00 0.00 177.00 176.04 2ida n PRO 72 N 5.81 0.56 0.05 0.56 -0.02 -1.26 -3.76 135.00 136.94 2ida n PRO 72 Ca -0.01 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.27 2ida n PRO 72 Cb 0.49 -1.22 -0.14 0.00 -0.02 0.00 0.00 33.50 32.60 2ida n PRO 72 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2ida h GLU 73 N 1.71 0.32 -2.73 -0.52 5.08 -1.92 -3.50 114.58 113.02 2ida h GLU 73 Ca 0.00 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 2ida h GLU 73 Cb 0.56 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2ida h GLU 73 CO 0.00 1.22 0.00 0.41 -1.00 0.00 0.00 179.01 179.64 2ida n GLY 74 N 1.84 -1.53 3.28 -3.84 0.00 -1.25 -4.45 105.19 99.24 2ida n GLY 74 Ca -0.25 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.47 -0.43 -0.12 1.61 1.48 -1.26 -0.31 118.94 119.43 2ida s TRP 75 Ca 0.00 1.04 -0.04 0.00 -1.06 0.00 0.00 56.10 56.04 2ida s TRP 75 Cb 0.00 0.15 -0.03 0.00 -1.16 0.00 0.00 33.47 32.42 2ida s TRP 75 CO 0.00 -0.21 0.01 0.20 -4.06 0.00 0.00 176.95 172.90 2ida s GLY 76 N 0.19 1.85 -0.14 3.67 0.00 0.45 -1.84 107.32 111.50 2ida s GLY 76 Ca -0.00 -0.79 -0.06 0.00 0.00 0.00 0.00 44.72 43.87 2ida s GLY 76 CO 0.01 -0.32 0.08 0.86 0.00 0.00 0.00 173.10 173.73 2ida s TRP 77 N -0.35 3.38 -0.27 1.90 -0.11 0.23 -1.19 118.94 122.52 2ida s TRP 77 Ca 0.07 0.30 -0.03 0.00 1.22 0.00 0.00 56.10 57.66 2ida s TRP 77 Cb -0.12 -1.97 0.03 0.00 -1.50 0.00 0.00 33.47 29.91 2ida s TRP 77 CO 0.02 0.46 -0.01 0.00 -4.62 0.00 0.00 176.95 172.80 2ida h TYR 79 N 8.06 -0.42 0.00 0.00 0.05 -0.74 0.50 116.97 124.42 2ida h TYR 79 Ca -0.29 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.50 2ida h TYR 79 Cb 1.10 0.17 0.00 0.00 1.01 0.00 0.00 36.73 39.01 2ida h TYR 79 CO 0.59 -0.19 0.00 -0.39 -1.05 0.00 0.00 178.16 177.13 2ida h VAL 80 N -0.27 0.00 0.09 -2.88 -1.51 -1.96 -1.51 116.25 108.21 2ida h VAL 80 Ca -0.01 -0.09 -0.34 0.00 -1.23 0.00 0.00 66.70 65.03 2ida h VAL 80 Cb 0.24 1.09 -0.02 0.00 -2.13 0.00 0.00 31.29 30.47 2ida h VAL 80 CO -0.04 0.00 -1.86 0.44 -1.23 0.00 0.00 177.57 174.87 2ida h ASP 81 N 0.00 0.30 -1.22 4.19 5.19 -1.84 -3.48 116.42 119.56 2ida h ASP 81 Ca 0.00 -0.64 -0.26 0.00 -0.62 0.00 0.00 57.03 55.51 2ida h ASP 81 Cb 0.09 -0.10 -0.06 0.00 0.18 0.00 0.00 39.33 39.45 2ida h ASP 81 CO 0.00 1.57 -0.29 -0.62 -3.12 0.00 0.00 179.24 176.78 2ida n GLU 82 N -3.35 -0.97 -5.05 3.56 1.02 0.17 -5.01 120.64 111.01 2ida n GLU 82 Ca -0.26 0.80 -0.31 0.00 -0.02 0.00 0.00 57.16 57.37 2ida n GLU 82 Cb 1.05 -4.93 -0.15 0.00 -0.02 0.00 0.00 31.44 27.39 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 2.43 -0.14 2.62 -7.23 -1.22 -4.98 120.40 109.32 2ida s VAL 83 Ca 0.00 -1.06 -0.08 0.00 -1.81 0.00 0.00 61.98 59.03 2ida s VAL 83 Cb 0.00 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 2ida s VAL 83 CO 0.00 0.52 0.14 -0.32 -0.31 0.00 0.00 175.10 175.12 2ida s MET 84 N -0.85 3.59 0.03 4.82 1.75 -1.26 -2.09 119.30 125.28 2ida s MET 84 Ca 0.11 -0.15 0.04 0.00 -1.25 0.00 0.00 55.69 54.44 2ida s MET 84 Cb -0.10 -3.23 -0.02 0.00 2.84 0.00 0.00 34.83 34.32 2ida s MET 84 CO 0.01 0.69 -0.12 -0.59 -0.65 0.00 0.00 175.02 174.35 2ida s PHE 85 N -0.76 1.03 0.28 4.11 -0.12 -0.34 -4.47 117.98 117.71 2ida s PHE 85 Ca 0.14 -0.33 -0.29 0.00 -0.05 0.00 0.00 56.93 56.39 2ida s PHE 85 Cb -0.12 -0.62 -0.10 0.00 -0.63 0.00 0.00 43.02 41.55 2ida s PHE 85 CO 0.03 0.01 1.33 0.16 -0.05 0.00 0.00 175.22 176.70 2ida s ASP 86 N -1.02 6.79 0.00 1.98 -4.77 -1.26 -0.41 116.67 117.98 2ida s ASP 86 Ca -0.00 2.60 0.10 0.00 -3.30 0.00 0.00 52.55 51.94 2ida s ASP 86 Cb -0.07 -2.63 0.16 0.00 -1.09 0.00 0.00 42.92 39.28 2ida s ASP 86 CO 0.01 -0.56 1.06 -0.11 0.70 0.00 0.00 175.17 176.27 2ida n LEU 87 N 1.65 0.36 0.02 2.11 7.94 0.57 -4.75 117.00 124.90 2ida n LEU 87 Ca 0.03 -1.38 0.03 0.00 -1.11 0.00 0.00 56.01 53.58 2ida n LEU 87 Cb 0.42 0.00 0.39 0.00 0.53 0.00 0.00 43.42 44.76 2ida n LEU 87 CO 0.59 0.36 1.06 -1.28 -1.11 0.00 0.00 177.39 177.01 2ida h SER 88 N 0.37 0.43 0.89 1.96 0.87 -1.47 0.34 113.55 116.94 2ida h SER 88 Ca -0.09 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 2ida h SER 88 Cb 1.58 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 2ida h SER 88 CO 0.03 0.40 0.00 0.44 -0.53 0.00 0.00 176.83 177.18 2ida h ASP 89 N 0.48 0.00 0.00 6.23 3.32 -1.90 -3.03 116.42 121.52 2ida h ASP 89 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2ida h ASP 89 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2ida h ASP 89 CO -0.01 0.00 -0.15 0.54 -1.72 0.00 0.00 179.24 177.90 2ida n ARG 90 N -2.96 1.01 -1.10 3.56 1.74 -0.38 -5.10 116.66 113.44 2ida n ARG 90 Ca 0.01 -1.58 -0.30 0.00 -0.77 0.00 0.00 57.85 55.21 2ida n ARG 90 Cb 0.27 -0.95 0.15 0.00 -1.02 0.00 0.00 32.46 30.92 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 -1.22 0.97 0.05 5.56 0.23 0.11 -4.68 119.30 120.32 2ida s MET 91 Ca 0.12 0.86 -0.26 0.00 -1.03 0.00 0.00 55.69 55.38 2ida s MET 91 Cb 0.10 -1.77 -0.05 0.00 -1.53 0.00 0.00 34.83 31.57 2ida s MET 91 CO 0.01 -2.45 0.79 0.95 -2.03 0.00 0.00 175.02 172.29 2ida s THR 92 N -2.86 4.72 -0.24 3.16 -4.23 -1.26 -4.99 115.64 109.93 2ida s THR 92 Ca 0.64 1.68 -0.29 0.00 -1.18 0.00 0.00 61.69 62.55 2ida s THR 92 Cb -0.19 -4.14 -0.01 0.00 1.34 0.00 0.00 72.50 69.50 2ida s THR 92 CO 0.58 0.35 1.39 -2.16 -0.54 0.00 0.00 174.62 174.23 2ida s PRO 93 N 0.02 3.96 -0.35 3.99 0.04 -1.26 -4.95 135.00 136.44 2ida s PRO 93 Ca 0.40 1.47 -0.27 0.00 0.04 0.00 0.00 61.00 62.63 2ida s PRO 93 Cb -0.21 -3.90 -0.05 0.00 0.04 0.00 0.00 34.50 30.38 2ida s PRO 93 CO 0.24 -1.08 2.23 -3.38 0.04 0.00 0.00 177.00 175.05 2ida s HIS 94 N 4.40 1.22 -2.31 0.56 -3.43 -1.26 -4.74 115.29 109.73 2ida s HIS 94 Ca 0.60 0.94 0.25 0.00 -0.80 0.00 0.00 55.06 56.05 2ida s HIS 94 Cb -0.20 -3.83 1.03 0.00 -1.43 0.00 0.00 32.58 28.14 2ida s HIS 94 CO 0.23 -3.31 1.71 0.27 -2.00 0.00 0.00 174.74 171.65 2ida n ASN 95 N 13.17 1.28 -3.38 7.38 6.94 -1.26 -4.91 115.26 134.48 2ida n ASN 95 Ca 0.31 -1.52 -0.09 0.00 -0.02 0.00 0.00 54.58 53.26 2ida n ASN 95 Cb 0.49 -0.04 -0.01 0.00 -2.36 0.00 0.00 39.78 37.86 2ida n ASN 95 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2ida s GLY 96 N -1.79 0.42 -0.01 4.83 0.00 -1.26 -5.05 107.32 104.45 2ida s GLY 96 Ca 0.36 -0.75 -0.30 0.00 0.00 0.00 0.00 44.72 44.03 2ida s GLY 96 CO 0.30 -0.39 1.19 2.56 0.00 0.00 0.00 173.10 176.76 2ida s PRO 97 N -3.11 4.39 -0.25 2.90 0.04 -1.26 -5.03 135.00 132.68 2ida s PRO 97 Ca 0.17 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2ida s PRO 97 Cb -0.04 -3.48 0.04 0.00 0.04 0.00 0.00 34.50 31.06 2ida s PRO 97 CO 0.11 -0.36 -0.08 0.42 0.04 0.00 0.00 177.00 177.13 2ida s ILE 98 N 1.75 2.55 -0.02 0.56 1.01 -1.26 -4.87 121.20 120.92 2ida s ILE 98 Ca 0.57 -1.30 -0.30 0.00 0.00 0.00 0.00 60.65 59.62 2ida s ILE 98 Cb -0.26 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.78 2ida s ILE 98 CO 0.25 0.10 1.45 -2.84 0.00 0.00 0.00 174.94 173.89 2ida s PRO 99 N 1.23 4.26 -0.50 2.79 0.02 -1.26 -4.96 135.00 136.57 2ida s PRO 99 Ca -0.04 2.00 -0.27 0.00 0.02 0.00 0.00 61.00 62.71 2ida s PRO 99 Cb -0.18 -3.65 -0.01 0.00 0.02 0.00 0.00 34.50 30.67 2ida s PRO 99 CO -0.05 -0.64 1.74 0.50 -0.33 0.00 0.00 177.00 178.22 2ida s ARG 100 N 2.77 3.02 -0.08 5.54 6.06 -1.26 -4.83 118.95 130.17 2ida s ARG 100 Ca 0.65 0.86 0.00 0.00 -2.50 0.00 0.00 55.73 54.74 2ida s ARG 100 Cb -0.31 -4.26 -0.25 0.00 0.06 0.00 0.00 34.95 30.18 2ida s ARG 100 CO 0.26 -2.25 0.53 1.88 -2.50 0.00 0.00 175.30 173.22 2ida h TYR 101 N 13.39 0.33 -0.03 5.12 0.05 -1.90 -3.53 116.97 130.40 2ida h TYR 101 Ca -0.29 -0.24 0.00 0.00 0.05 0.00 0.00 58.73 58.26 2ida h TYR 101 Cb 1.15 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.88 2ida h TYR 101 CO 1.01 1.47 0.00 1.33 -1.05 0.00 0.00 178.16 180.92