#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 0.42 -3.68 3.17 -1.04 0.13 -4.97 114.28 108.31 2ida n THR 2 Ca 0.00 0.24 -0.13 0.00 -2.04 0.00 0.00 64.05 62.12 2ida n THR 2 Cb 0.00 -1.43 -0.08 0.00 -1.82 0.00 0.00 70.33 66.99 2ida n THR 2 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 2ida s MET 3 N -1.43 0.67 0.94 -2.82 1.75 -1.25 -5.04 119.30 112.13 2ida s MET 3 Ca -0.04 0.82 -0.14 0.00 -1.25 0.00 0.00 55.69 55.09 2ida s MET 3 Cb 0.01 0.32 0.21 0.00 2.84 0.00 0.00 34.83 38.20 2ida s MET 3 CO 0.06 -0.08 1.29 0.20 -0.65 0.00 0.00 175.02 175.83 2ida s GLY 4 N 0.37 1.81 0.20 2.11 0.00 -1.26 -4.37 107.32 106.18 2ida s GLY 4 Ca -0.01 -1.42 -0.13 0.00 0.00 0.00 0.00 44.72 43.16 2ida s GLY 4 CO -0.00 -0.64 0.43 0.00 0.00 0.00 0.00 173.10 172.90 2ida h ARG 6 N 2.32 0.00 0.00 0.00 0.11 -2.03 0.54 114.38 115.32 2ida h ARG 6 Ca -0.29 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.78 2ida h ARG 6 Cb 1.25 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.32 2ida h ARG 6 CO 0.40 0.00 -0.07 0.45 0.10 0.00 0.00 179.97 180.85 2ida h HIS 7 N 0.00 0.00 0.00 4.08 3.86 -2.00 -2.43 115.15 118.66 2ida h HIS 7 Ca 0.02 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 2ida h HIS 7 Cb 0.11 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 2ida h HIS 7 CO 0.00 0.07 -0.17 -0.24 0.86 0.00 0.00 177.93 178.45 2ida h VAL 8 N 0.00 0.88 0.00 2.45 3.04 -1.30 0.20 116.25 121.52 2ida h VAL 8 Ca -0.00 -0.63 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 2ida h VAL 8 Cb 0.19 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 2ida h VAL 8 CO 0.01 0.17 0.00 0.00 -1.01 0.00 0.00 177.57 176.73 2ida n ALA 9 N -2.40 2.35 -0.29 3.17 0.00 -0.91 -2.67 120.51 119.75 2ida n ALA 9 Ca -0.02 -0.14 0.05 0.00 0.00 0.00 0.00 53.44 53.33 2ida n ALA 9 Cb 0.25 -1.38 0.13 0.00 0.00 0.00 0.00 19.45 18.46 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 0.48 3.09 3.92 0.00 0.00 0.06 -4.99 105.19 107.75 2ida n GLY 10 Ca 0.17 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.34 5.31 0.13 -0.61 -4.36 -1.09 -4.88 121.20 114.35 2ida s ILE 11 Ca 0.21 -0.55 0.04 0.00 -0.26 0.00 0.00 60.65 60.09 2ida s ILE 11 Cb 0.13 -3.65 -0.04 0.00 1.25 0.00 0.00 42.46 40.15 2ida s ILE 11 CO 0.11 0.03 -0.09 0.00 0.24 0.00 0.00 174.94 175.23 2ida s ARG 12 N -2.83 0.97 -0.55 0.37 1.70 -0.67 -5.05 118.95 112.89 2ida s ARG 12 Ca 0.34 -1.36 -0.28 0.00 -0.47 0.00 0.00 55.73 53.96 2ida s ARG 12 Cb -0.12 -0.52 0.00 0.00 -0.57 0.00 0.00 34.95 33.74 2ida s ARG 12 CO 0.28 0.06 1.55 0.99 -1.08 0.00 0.00 175.30 177.10 2ida s THR 13 N -3.20 3.66 0.54 4.99 2.01 -1.26 -4.65 115.64 117.73 2ida s THR 13 Ca 0.13 0.54 0.08 0.00 0.31 0.00 0.00 61.69 62.75 2ida s THR 13 Cb 0.02 -4.25 0.07 0.00 0.01 0.00 0.00 72.50 68.35 2ida s THR 13 CO -0.01 -1.04 0.75 0.68 -0.69 0.00 0.00 174.62 174.31 2ida s VAL 14 N 6.78 2.41 -0.18 3.82 -7.23 -1.26 -5.09 120.40 119.64 2ida s VAL 14 Ca 0.58 -0.95 -0.04 0.00 -1.81 0.00 0.00 61.98 59.76 2ida s VAL 14 Cb -0.13 -2.46 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 2ida s VAL 14 CO 0.25 0.00 -0.02 -0.89 -0.31 0.00 0.00 175.10 174.12 2ida s THR 15 N -2.63 3.85 0.06 5.32 2.01 -1.26 -4.96 115.64 118.03 2ida s THR 15 Ca 0.60 -0.36 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 2ida s THR 15 Cb -0.07 -2.71 -0.08 0.00 0.01 0.00 0.00 72.50 69.64 2ida s THR 15 CO 0.38 0.46 1.74 -2.84 -0.69 0.00 0.00 174.62 173.67 2ida s PRO 16 N 0.72 4.17 0.47 4.92 0.02 -1.26 -4.53 135.00 139.52 2ida s PRO 16 Ca -0.01 2.41 0.18 0.00 0.02 0.00 0.00 61.00 63.60 2ida s PRO 16 Cb -0.14 -3.74 1.15 0.00 0.02 0.00 0.00 34.50 31.79 2ida s PRO 16 CO 0.02 -0.81 2.03 0.77 -0.33 0.00 0.00 177.00 178.68 2ida h SER 17 N 8.90 0.00 -5.06 2.53 0.02 -1.87 -3.46 113.55 114.61 2ida h SER 17 Ca -0.44 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 60.58 2ida h SER 17 Cb 1.21 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.71 2ida h SER 17 CO 0.94 0.15 0.29 0.00 -1.14 0.00 0.00 176.83 177.07 2ida s ALA 18 N -4.56 -1.17 0.02 3.77 0.00 -1.26 -5.00 121.76 113.56 2ida s ALA 18 Ca -0.04 -0.36 -0.26 0.00 0.00 0.00 0.00 51.96 51.30 2ida s ALA 18 Cb 0.15 0.78 -0.17 0.00 0.00 0.00 0.00 23.12 23.88 2ida s ALA 18 CO 0.66 -1.03 1.29 -0.07 0.00 0.00 0.00 175.76 176.61 2ida h LEU 19 N 2.00 -0.40 0.00 0.00 4.07 -1.94 -3.46 115.31 115.57 2ida h LEU 19 Ca -0.23 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.59 2ida h LEU 19 Cb 1.25 0.10 0.00 0.00 1.08 0.00 0.00 40.66 43.09 2ida h LEU 19 CO 0.28 -0.07 0.00 0.61 -1.08 0.00 0.00 178.44 178.18 2ida n GLY 20 N -0.48 2.92 3.67 0.83 0.00 -1.26 -4.88 105.19 105.99 2ida n GLY 20 Ca -0.10 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 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 7.96 0.53 -0.46 0.00 4.22 -1.91 -0.55 114.58 124.38 2ida h GLU 22 Ca -0.30 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.10 2ida h GLU 22 Cb 1.13 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 2ida h GLU 22 CO 0.93 0.35 0.26 1.49 -2.18 0.00 0.00 179.01 179.87 2ida h GLU 23 N 0.55 0.64 -0.69 1.92 4.81 -1.91 -2.53 114.58 117.37 2ida h GLU 23 Ca 0.33 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.44 2ida h GLU 23 Cb 0.36 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 2ida h GLU 23 CO -0.27 0.49 0.21 0.00 -0.73 0.00 0.00 179.01 178.71 2ida h LEU 25 N 1.02 0.00 0.00 0.00 3.38 -0.75 0.31 115.31 119.28 2ida h LEU 25 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2ida h LEU 25 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2ida h LEU 25 CO -0.01 0.00 -0.41 2.29 0.09 0.00 0.00 178.44 180.41 2ida n LYS 26 N -2.70 0.23 0.00 1.13 2.85 -0.99 -4.04 118.16 114.64 2ida n LYS 26 Ca 0.02 0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.38 2ida n LYS 26 Cb 0.31 -1.69 0.00 0.00 -0.65 0.00 0.00 35.03 33.01 2ida n LYS 26 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 2ida n ILE 27 N -2.05 0.00 -1.76 0.58 -5.35 -1.05 -5.03 119.36 104.70 2ida n ILE 27 Ca 0.04 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 2ida n ILE 27 Cb 0.42 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 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 0.68 0.51 3.65 3.28 0.00 0.28 -5.08 105.19 108.51 2ida n GLY 28 Ca 0.00 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.73 4.93 0.99 1.61 0.15 0.84 -5.02 113.70 114.47 2ida s SER 29 Ca 0.00 -0.09 -0.10 0.00 0.70 0.00 0.00 55.95 56.46 2ida s SER 29 Cb 0.00 -1.22 0.14 0.00 -1.71 0.00 0.00 66.02 63.23 2ida s SER 29 CO 0.00 0.26 0.82 -0.81 1.20 0.00 0.00 173.24 174.70 2ida n PRO 30 N 1.26 -0.78 -3.57 5.44 -0.04 -1.26 -4.49 135.00 131.57 2ida n PRO 30 Ca -0.14 -1.28 -0.11 0.00 -0.04 0.00 0.00 63.50 61.94 2ida n PRO 30 Cb 0.52 -0.83 -0.02 0.00 -0.04 0.00 0.00 33.50 33.13 2ida n PRO 30 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 2ida s TRP 31 N -2.77 -0.39 -0.08 0.54 -2.14 -1.26 -4.91 118.94 107.94 2ida s TRP 31 Ca 0.46 0.10 -0.08 0.00 2.66 0.00 0.00 56.10 59.24 2ida s TRP 31 Cb -0.01 0.54 -0.03 0.00 -3.10 0.00 0.00 33.47 30.87 2ida s TRP 31 CO 0.32 -0.92 -0.16 0.28 -2.66 0.00 0.00 176.95 173.81 2ida n VAL 32 N -0.38 0.76 -4.39 -0.66 0.31 -1.26 -4.24 118.33 108.48 2ida n VAL 32 Ca -0.13 0.30 -0.22 0.00 -0.01 0.00 0.00 64.34 64.28 2ida n VAL 32 Cb 0.63 -1.87 -0.10 0.00 -0.91 0.00 0.00 33.84 31.58 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 -1.94 1.98 -0.08 3.52 3.76 -1.26 -4.87 115.29 116.40 2ida s HIS 33 Ca -0.13 -0.45 0.05 0.00 -0.15 0.00 0.00 55.06 54.38 2ida s HIS 33 Cb 0.02 -0.92 -0.00 0.00 1.11 0.00 0.00 32.58 32.78 2ida s HIS 33 CO 0.20 0.48 -0.24 -0.51 -0.85 0.00 0.00 174.74 173.82 2ida s LEU 34 N -3.14 2.10 -0.22 0.89 2.01 -1.26 -0.10 118.68 118.96 2ida s LEU 34 Ca 0.23 -0.53 -0.00 0.00 0.01 0.00 0.00 54.13 53.83 2ida s LEU 34 Cb -0.04 -1.40 0.03 0.00 0.01 0.00 0.00 46.19 44.78 2ida s LEU 34 CO 0.10 0.19 -0.13 -0.13 1.01 0.00 0.00 176.35 177.40 2ida s ARG 35 N 0.14 2.86 -0.28 1.70 0.52 0.10 -0.64 118.95 123.35 2ida s ARG 35 Ca -0.13 -0.94 -0.15 0.00 -0.52 0.00 0.00 55.73 54.00 2ida s ARG 35 Cb -0.16 -2.80 -0.03 0.00 0.52 0.00 0.00 34.95 32.48 2ida s ARG 35 CO 0.07 -0.33 0.36 -1.50 0.02 0.00 0.00 175.30 173.92 2ida s ILE 36 N 1.29 5.18 -0.39 1.52 2.07 0.26 -0.59 121.20 130.55 2ida s ILE 36 Ca 0.01 0.45 -0.29 0.00 -1.41 0.00 0.00 60.65 59.41 2ida s ILE 36 Cb -0.15 -3.71 -0.00 0.00 0.13 0.00 0.00 42.46 38.73 2ida s ILE 36 CO -0.08 0.12 1.56 0.00 -1.91 0.00 0.00 174.94 174.62 2ida n ARG 38 N 8.23 0.47 -0.13 0.00 5.12 -1.20 -0.49 116.66 128.66 2ida n ARG 38 Ca 0.19 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.83 2ida n ARG 38 Cb 0.48 -1.17 -0.09 0.00 -1.16 0.00 0.00 32.46 30.51 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 -0.67 1.44 0.08 0.55 -1.04 -1.26 -1.66 114.28 111.72 2ida n THR 39 Ca 0.04 -0.37 0.01 0.00 -2.04 0.00 0.00 64.05 61.69 2ida n THR 39 Cb 0.02 -1.86 0.00 0.00 -1.82 0.00 0.00 70.33 66.67 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 0.41 0.60 3.65 0.00 0.00 0.36 -4.82 105.19 105.40 2ida n GLY 41 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.31 3.35 -0.07 1.61 5.65 -1.25 -2.61 115.29 119.65 2ida s HIS 42 Ca 0.00 0.97 -0.21 0.00 0.25 0.00 0.00 55.06 56.07 2ida s HIS 42 Cb 0.00 -2.87 -0.04 0.00 -1.18 0.00 0.00 32.58 28.49 2ida s HIS 42 CO 0.00 -0.25 0.62 0.08 -0.65 0.00 0.00 174.74 174.54 2ida s VAL 43 N 2.19 5.07 0.09 0.89 1.01 -1.26 -2.01 120.40 126.38 2ida s VAL 43 Ca 0.30 1.27 0.02 0.00 0.00 0.00 0.00 61.98 63.57 2ida s VAL 43 Cb -0.16 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 2ida s VAL 43 CO 0.10 0.29 -0.08 -0.83 0.00 0.00 0.00 175.10 174.58 2ida s GLY 44 N 0.63 0.73 0.36 4.51 0.00 0.25 -3.14 107.32 110.66 2ida s GLY 44 Ca 0.33 -1.18 -0.26 0.00 0.00 0.00 0.00 44.72 43.61 2ida s GLY 44 CO 0.16 -1.26 1.10 0.00 0.00 0.00 0.00 173.10 173.10 2ida n ASP 47 N -4.61 0.00 0.24 0.00 5.75 -1.26 -1.75 116.55 114.92 2ida n ASP 47 Ca 0.05 -0.86 0.13 0.00 -0.01 0.00 0.00 54.79 54.10 2ida n ASP 47 Cb 0.57 0.00 0.52 0.00 -1.03 0.00 0.00 41.12 41.18 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 0.00 -2.80 -1.12 3.32 -1.92 -3.45 116.42 110.45 2ida h ASP 48 Ca 0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 2ida h ASP 48 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 2ida h ASP 48 CO 0.00 0.14 -0.46 -0.44 -1.72 0.00 0.00 179.24 176.75 2ida s SER 49 N -6.03 6.40 0.54 6.45 0.01 -0.71 -4.86 113.70 115.51 2ida s SER 49 Ca 0.01 0.42 0.29 0.00 1.31 0.00 0.00 55.95 57.99 2ida s SER 49 Cb 0.09 -2.04 1.46 0.00 0.21 0.00 0.00 66.02 65.74 2ida s SER 49 CO 0.61 0.29 1.93 1.55 0.41 0.00 0.00 173.24 178.02 2ida h PRO 50 N 4.08 0.00 -0.08 12.44 0.13 -1.86 -0.84 132.00 145.88 2ida h PRO 50 Ca -0.50 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2ida h PRO 50 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ida h PRO 50 CO 0.66 0.00 0.04 0.45 -0.23 0.00 0.00 178.00 178.92 2ida h HIS 51 N 0.00 0.11 -6.25 1.56 3.86 -1.94 -3.47 115.15 109.02 2ida h HIS 51 Ca 0.35 -0.01 -0.48 0.00 -1.16 0.00 0.00 60.37 59.08 2ida h HIS 51 Cb 1.44 -0.03 -0.08 0.00 1.06 0.00 0.00 27.41 29.80 2ida h HIS 51 CO 0.00 0.20 -0.75 1.63 0.86 0.00 0.00 177.93 179.87 2ida n LYS 52 N -4.96 -4.80 0.25 2.45 5.02 -0.32 -4.84 118.16 110.95 2ida n LYS 52 Ca -0.06 0.55 0.16 0.00 -2.02 0.00 0.00 58.31 56.94 2ida n LYS 52 Cb 0.09 -5.39 0.67 0.00 -0.02 0.00 0.00 35.03 30.38 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 -1.83 0.00 -0.69 2.13 2.76 -1.81 -2.60 115.15 113.11 2ida h HIS 53 Ca -0.56 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 57.55 2ida h HIS 53 Cb 1.37 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.30 2ida h HIS 53 CO 0.59 0.00 0.21 0.00 -1.30 0.00 0.00 177.93 177.43 2ida h ALA 54 N 2.06 0.90 0.24 5.26 0.00 -1.71 0.22 119.26 126.23 2ida h ALA 54 Ca 0.00 -0.22 -0.33 0.00 0.00 0.00 0.00 54.91 54.36 2ida h ALA 54 Cb 0.45 -0.27 0.04 0.00 0.00 0.00 0.00 17.79 18.01 2ida h ALA 54 CO 0.00 0.59 -1.45 1.79 0.00 0.00 0.00 179.25 180.18 2ida h THR 55 N 1.02 1.28 -0.82 0.00 1.35 -1.76 -3.23 112.91 110.75 2ida h THR 55 Ca 0.22 -2.66 0.08 0.00 -0.55 0.00 0.00 66.41 63.50 2ida h THR 55 Cb 0.31 2.99 -0.05 0.00 -1.73 0.00 0.00 68.15 69.67 2ida h THR 55 CO -0.01 0.80 0.53 0.03 -0.25 0.00 0.00 175.52 176.63 2ida h ARG 56 N 0.17 0.80 -0.49 4.72 3.08 -1.41 -2.28 114.38 118.98 2ida h ARG 56 Ca -0.25 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 2ida h ARG 56 Cb 2.14 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 31.98 2ida h ARG 56 CO 0.27 0.53 0.27 1.25 -1.07 0.00 0.00 179.97 181.23 2ida h HIS 57 N 0.83 0.67 -0.61 3.04 2.76 -0.97 -2.24 115.15 118.62 2ida h HIS 57 Ca 0.37 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.46 2ida h HIS 57 Cb 0.34 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.06 2ida h HIS 57 CO -0.00 0.49 0.14 0.35 -1.30 0.00 0.00 177.93 177.61 2ida h PHE 58 N 0.65 0.99 -0.15 5.26 3.57 -1.44 0.74 116.94 126.56 2ida h PHE 58 Ca 0.17 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 2ida h PHE 58 Cb 0.04 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 2ida h PHE 58 CO -0.02 0.82 -0.05 1.25 -2.23 0.00 0.00 178.31 178.09 2ida h HIS 59 N 0.91 0.22 0.00 0.41 2.76 -1.07 0.09 115.15 118.47 2ida h HIS 59 Ca 0.19 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.32 2ida h HIS 59 Cb 0.33 -0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.22 2ida h HIS 59 CO 0.02 0.27 -0.51 0.00 -1.30 0.00 0.00 177.93 176.42 2ida h ALA 60 N 1.75 0.04 0.00 5.26 0.00 -0.81 -3.41 119.26 122.08 2ida h ALA 60 Ca 0.05 -0.52 -0.25 0.00 0.00 0.00 0.00 54.91 54.20 2ida h ALA 60 Cb 0.23 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2ida h ALA 60 CO 0.01 0.43 -1.30 1.79 0.00 0.00 0.00 179.25 180.18 2ida h THR 61 N -1.00 1.35 -1.25 0.00 1.35 -0.96 -3.48 112.91 108.92 2ida h THR 61 Ca -0.05 -3.12 -0.01 0.00 -0.55 0.00 0.00 66.41 62.69 2ida h THR 61 Cb 0.54 2.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.63 2ida h THR 61 CO -0.03 0.77 -0.01 0.61 -0.25 0.00 0.00 175.52 176.61 2ida n GLY 62 N 1.44 0.85 3.21 5.82 0.00 0.02 -5.04 105.19 111.50 2ida n GLY 62 Ca -0.07 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 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 3.43 -2.08 1.61 3.76 -1.26 -4.97 115.29 112.77 2ida s HIS 63 Ca 0.01 -1.87 0.26 0.00 -0.15 0.00 0.00 55.06 53.30 2ida s HIS 63 Cb -0.00 -3.46 1.41 0.00 1.11 0.00 0.00 32.58 31.63 2ida s HIS 63 CO 0.01 -0.99 1.92 -0.35 -0.85 0.00 0.00 174.74 174.49 2ida n PRO 64 N 4.90 1.15 -4.55 8.40 -0.04 -1.26 -4.61 135.00 138.98 2ida n PRO 64 Ca -0.08 -0.22 -0.28 0.00 -0.04 0.00 0.00 63.50 62.89 2ida n PRO 64 Cb 0.41 -1.41 -0.17 0.00 -0.04 0.00 0.00 33.50 32.29 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 1.45 0.16 0.52 1.01 -1.26 -0.05 121.20 121.04 2ida s ILE 65 Ca 0.38 -0.63 0.08 0.00 0.00 0.00 0.00 60.65 60.48 2ida s ILE 65 Cb 0.18 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 2ida s ILE 65 CO 0.30 0.43 -0.16 0.27 0.00 0.00 0.00 174.94 175.77 2ida s ILE 66 N 0.86 1.65 -0.02 2.92 -5.25 -0.51 -3.27 121.20 117.59 2ida s ILE 66 Ca -0.10 -1.89 0.06 0.00 -0.99 0.00 0.00 60.65 57.74 2ida s ILE 66 Cb -0.15 -1.77 -0.02 0.00 2.95 0.00 0.00 42.46 43.46 2ida s ILE 66 CO 0.01 -0.38 -0.21 -0.70 -1.79 0.00 0.00 174.94 171.87 2ida s GLU 67 N -2.86 2.23 -0.42 0.37 2.12 0.66 -0.22 118.70 120.58 2ida s GLU 67 Ca 0.14 -0.86 -0.28 0.00 0.36 0.00 0.00 54.97 54.33 2ida s GLU 67 Cb -0.05 -2.18 -0.02 0.00 0.26 0.00 0.00 34.13 32.14 2ida s GLU 67 CO 0.05 0.58 1.80 0.20 -0.54 0.00 0.00 175.26 177.35 2ida s GLY 68 N -0.80 0.61 -0.12 -1.50 0.00 -0.26 -0.57 107.32 104.67 2ida s GLY 68 Ca 0.11 -0.04 0.06 0.00 0.00 0.00 0.00 44.72 44.85 2ida s GLY 68 CO 0.01 3.30 0.35 2.98 0.00 0.00 0.00 173.10 179.73 2ida n TYR 69 N 11.04 0.78 0.04 1.90 9.36 0.19 -4.24 117.16 136.23 2ida n TYR 69 Ca 0.22 0.22 -0.11 0.00 3.32 0.00 0.00 57.90 61.55 2ida n TYR 69 Cb 0.49 -1.12 0.01 0.00 -0.63 0.00 0.00 39.34 38.08 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 0.02 0.55 -3.60 2.98 2.03 -1.86 -3.41 116.42 113.14 2ida h ASP 70 Ca -0.41 -0.36 -0.63 0.00 -0.73 0.00 0.00 57.03 54.89 2ida h ASP 70 Cb 2.05 -0.16 -0.14 0.00 -0.83 0.00 0.00 39.33 40.25 2ida h ASP 70 CO 0.05 1.11 -0.01 -2.16 -1.03 0.00 0.00 179.24 177.20 2ida s PRO 71 N -3.61 3.87 0.00 4.15 0.05 -1.26 -4.95 135.00 133.25 2ida s PRO 71 Ca -0.06 0.12 0.00 0.00 0.05 0.00 0.00 61.00 61.11 2ida s PRO 71 Cb 0.10 -3.72 0.00 0.00 0.05 0.00 0.00 34.50 30.93 2ida s PRO 71 CO 0.85 -0.49 0.41 -2.30 0.05 0.00 0.00 177.00 175.52 2ida n PRO 72 N 5.67 0.54 0.09 0.56 -0.02 -1.26 -3.46 135.00 137.12 2ida n PRO 72 Ca -0.04 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.29 2ida n PRO 72 Cb 0.49 -1.25 -0.09 0.00 -0.02 0.00 0.00 33.50 32.63 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 0.70 0.37 -3.11 -0.52 4.39 -1.92 -3.50 114.58 110.99 2ida h GLU 73 Ca 0.00 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.20 2ida h GLU 73 Cb 0.41 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2ida h GLU 73 CO 0.00 1.18 -0.04 0.41 -1.16 0.00 0.00 179.01 179.40 2ida n GLY 74 N 1.23 -1.69 3.10 -3.84 0.00 -1.22 -4.33 105.19 98.45 2ida n GLY 74 Ca -0.08 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.64 0.18 -0.05 1.61 1.48 -1.26 -0.83 118.94 119.43 2ida s TRP 75 Ca 0.01 -0.45 0.05 0.00 -1.06 0.00 0.00 56.10 54.65 2ida s TRP 75 Cb -0.00 -0.13 -0.01 0.00 -1.16 0.00 0.00 33.47 32.17 2ida s TRP 75 CO 0.04 -0.34 -0.22 0.20 -4.06 0.00 0.00 176.95 172.57 2ida s GLY 76 N -1.96 1.15 -0.16 3.67 0.00 0.92 -1.10 107.32 109.84 2ida s GLY 76 Ca -0.07 -0.91 -0.03 0.00 0.00 0.00 0.00 44.72 43.70 2ida s GLY 76 CO -0.03 -0.55 -0.06 0.86 0.00 0.00 0.00 173.10 173.32 2ida s TRP 77 N -0.11 2.96 -0.35 1.90 -0.11 0.69 -0.85 118.94 123.07 2ida s TRP 77 Ca -0.03 -0.48 -0.09 0.00 1.22 0.00 0.00 56.10 56.72 2ida s TRP 77 Cb -0.13 -1.96 0.03 0.00 -1.50 0.00 0.00 33.47 29.91 2ida s TRP 77 CO 0.03 -0.16 0.16 0.00 -4.62 0.00 0.00 176.95 172.36 2ida h TYR 79 N 8.34 -1.46 0.00 0.00 0.05 -0.81 0.58 116.97 123.67 2ida h TYR 79 Ca -0.25 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.55 2ida h TYR 79 Cb 1.10 0.60 -0.00 0.00 1.01 0.00 0.00 36.73 39.43 2ida h TYR 79 CO 0.58 -0.64 -0.03 -0.39 -1.05 0.00 0.00 178.16 176.63 2ida h VAL 80 N -0.89 0.12 0.14 -2.88 -1.51 -1.95 -2.67 116.25 106.61 2ida h VAL 80 Ca -0.04 -0.44 -0.35 0.00 -1.23 0.00 0.00 66.70 64.65 2ida h VAL 80 Cb 0.82 1.38 -0.01 0.00 -2.13 0.00 0.00 31.29 31.35 2ida h VAL 80 CO -0.17 0.03 -1.85 0.44 -1.23 0.00 0.00 177.57 174.80 2ida h ASP 81 N 0.00 0.46 -1.97 4.19 5.19 -1.77 -3.48 116.42 119.05 2ida h ASP 81 Ca -0.00 -0.85 -0.30 0.00 -0.62 0.00 0.00 57.03 55.25 2ida h ASP 81 Cb 0.38 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.71 2ida h ASP 81 CO 0.00 1.74 -0.37 -0.62 -3.12 0.00 0.00 179.24 176.88 2ida n GLU 82 N -3.49 -1.19 -4.96 3.56 1.02 0.20 -5.02 120.64 110.76 2ida n GLU 82 Ca -0.27 0.77 -0.32 0.00 -0.02 0.00 0.00 57.16 57.32 2ida n GLU 82 Cb 1.06 -5.09 -0.14 0.00 -0.02 0.00 0.00 31.44 27.25 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 -2.73 2.80 -0.24 2.62 -7.23 -1.24 -4.99 120.40 109.39 2ida s VAL 83 Ca 0.00 -0.80 -0.10 0.00 -1.81 0.00 0.00 61.98 59.27 2ida s VAL 83 Cb 0.00 -2.10 -0.05 0.00 0.56 0.00 0.00 36.38 34.79 2ida s VAL 83 CO 0.00 0.57 0.15 -0.32 -0.31 0.00 0.00 175.10 175.19 2ida s MET 84 N -0.32 4.02 0.42 4.82 1.75 -1.26 -2.61 119.30 126.12 2ida s MET 84 Ca 0.02 -0.29 0.06 0.00 -1.25 0.00 0.00 55.69 54.23 2ida s MET 84 Cb -0.13 -3.51 -0.06 0.00 2.84 0.00 0.00 34.83 33.97 2ida s MET 84 CO 0.02 0.03 0.07 -0.59 -0.65 0.00 0.00 175.02 173.91 2ida s PHE 85 N 1.12 2.46 0.09 4.11 -0.12 -0.03 0.17 117.98 125.78 2ida s PHE 85 Ca 0.07 -0.68 -0.08 0.00 -0.05 0.00 0.00 56.93 56.19 2ida s PHE 85 Cb -0.14 -1.82 -0.06 0.00 -0.63 0.00 0.00 43.02 40.37 2ida s PHE 85 CO 0.05 0.32 0.38 0.16 -0.05 0.00 0.00 175.22 176.08 2ida s ASP 86 N -3.80 6.57 -0.01 1.98 -4.77 -1.26 -0.06 116.67 115.32 2ida s ASP 86 Ca 0.34 0.70 0.02 0.00 -3.30 0.00 0.00 52.55 50.31 2ida s ASP 86 Cb 0.07 -2.14 0.03 0.00 -1.09 0.00 0.00 42.92 39.79 2ida s ASP 86 CO 0.18 0.14 0.99 0.18 0.70 0.00 0.00 175.17 177.36 2ida n LEU 87 N 0.67 0.24 -0.32 2.11 4.77 -0.01 -4.69 117.00 119.77 2ida n LEU 87 Ca -0.07 -1.16 0.08 0.00 -0.03 0.00 0.00 56.01 54.84 2ida n LEU 87 Cb 0.52 -0.04 0.29 0.00 -2.33 0.00 0.00 43.42 41.86 2ida n LEU 87 CO 0.44 0.28 1.23 -1.28 -1.33 0.00 0.00 177.39 176.73 2ida h SER 88 N 0.00 0.82 1.61 -1.43 0.87 -1.46 0.53 113.55 114.49 2ida h SER 88 Ca 0.00 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 2ida h SER 88 Cb 1.34 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2ida h SER 88 CO 0.00 0.44 -0.10 0.44 -0.53 0.00 0.00 176.83 177.09 2ida h ASP 89 N 0.89 0.00 0.00 6.23 3.32 -1.91 -3.29 116.42 121.66 2ida h ASP 89 Ca 0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.51 2ida h ASP 89 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2ida h ASP 89 CO -0.23 0.10 -0.08 0.54 -1.72 0.00 0.00 179.24 177.85 2ida n ARG 90 N -3.15 1.47 -1.26 3.56 1.74 -0.09 -5.08 116.66 113.86 2ida n ARG 90 Ca 0.03 -1.67 -0.30 0.00 -0.77 0.00 0.00 57.85 55.13 2ida n ARG 90 Cb 0.50 -1.03 0.11 0.00 -1.02 0.00 0.00 32.46 31.02 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 -1.39 1.84 -0.35 5.56 0.23 0.17 -4.86 119.30 120.49 2ida s MET 91 Ca 0.12 0.98 -0.26 0.00 -1.03 0.00 0.00 55.69 55.50 2ida s MET 91 Cb 0.10 -1.86 0.01 0.00 -1.53 0.00 0.00 34.83 31.55 2ida s MET 91 CO 0.01 -1.88 0.91 0.99 -2.03 0.00 0.00 175.02 173.02 2ida s THR 92 N -2.94 4.63 0.35 3.16 2.01 -1.26 -5.02 115.64 116.57 2ida s THR 92 Ca 0.62 1.25 -0.28 0.00 0.31 0.00 0.00 61.69 63.59 2ida s THR 92 Cb -0.17 -4.30 -0.11 0.00 0.01 0.00 0.00 72.50 67.93 2ida s THR 92 CO 0.56 -0.46 1.48 -2.84 -0.69 0.00 0.00 174.62 172.68 2ida s PRO 93 N 3.37 4.14 0.30 4.92 0.02 -1.26 -4.93 135.00 141.55 2ida s PRO 93 Ca 0.38 2.53 -0.29 0.00 0.02 0.00 0.00 61.00 63.63 2ida s PRO 93 Cb -0.13 -2.99 -0.11 0.00 0.02 0.00 0.00 34.50 31.30 2ida s PRO 93 CO 0.17 -0.51 1.46 -3.38 -0.33 0.00 0.00 177.00 174.41 2ida s HIS 94 N -0.91 2.88 -1.32 6.54 -3.43 -1.26 -4.89 115.29 112.90 2ida s HIS 94 Ca 0.54 1.06 0.28 0.00 -0.80 0.00 0.00 55.06 56.13 2ida s HIS 94 Cb -0.46 -3.89 1.01 0.00 -1.43 0.00 0.00 32.58 27.81 2ida s HIS 94 CO 0.59 -2.82 1.74 0.27 -2.00 0.00 0.00 174.74 172.53 2ida n ASN 95 N 1.71 0.39 -3.71 7.38 6.94 -1.26 -4.94 115.26 121.76 2ida n ASN 95 Ca 0.05 -0.24 0.03 0.00 -0.02 0.00 0.00 54.58 54.40 2ida n ASN 95 Cb 0.40 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.74 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 -2.75 -0.32 -0.15 4.83 0.00 -1.26 -4.99 107.32 102.68 2ida s GLY 96 Ca 0.20 0.48 -0.29 0.00 0.00 0.00 0.00 44.72 45.11 2ida s GLY 96 CO 0.55 2.62 1.75 -4.14 0.00 0.00 0.00 173.10 173.88 2ida s PRO 97 N -2.16 3.83 -0.35 2.90 0.02 -1.26 -4.97 135.00 133.01 2ida s PRO 97 Ca 0.21 1.94 -0.21 0.00 0.02 0.00 0.00 61.00 62.96 2ida s PRO 97 Cb 0.03 -4.09 0.00 0.00 0.02 0.00 0.00 34.50 30.47 2ida s PRO 97 CO -0.03 -1.26 0.67 0.42 -0.33 0.00 0.00 177.00 176.46 2ida s ILE 98 N 5.27 4.86 -0.22 2.83 1.01 -1.26 -4.97 121.20 128.71 2ida s ILE 98 Ca 0.78 0.70 -0.29 0.00 0.00 0.00 0.00 60.65 61.83 2ida s ILE 98 Cb -0.30 -4.10 -0.00 0.00 0.01 0.00 0.00 42.46 38.07 2ida s ILE 98 CO 0.32 -0.32 1.21 -2.16 0.00 0.00 0.00 174.94 173.98 2ida s PRO 99 N 2.79 4.15 -0.39 2.79 0.04 -1.26 -5.00 135.00 138.12 2ida s PRO 99 Ca 0.26 1.45 -0.29 0.00 0.04 0.00 0.00 61.00 62.46 2ida s PRO 99 Cb -0.14 -3.76 0.02 0.00 0.04 0.00 0.00 34.50 30.66 2ida s PRO 99 CO 0.15 -0.80 1.13 0.50 0.04 0.00 0.00 177.00 178.01 2ida s ARG 100 N 3.60 3.89 -0.16 4.56 3.00 -1.26 -4.91 118.95 127.67 2ida s ARG 100 Ca 0.52 0.85 -0.19 0.00 -1.00 0.00 0.00 55.73 55.91 2ida s ARG 100 Cb -0.18 -3.83 -0.23 0.00 0.00 0.00 0.00 34.95 30.71 2ida s ARG 100 CO 0.15 -1.15 0.37 1.88 0.00 0.00 0.00 175.30 176.55 2ida h TYR 101 N 8.73 0.18 -0.01 5.12 0.05 -1.90 -3.53 116.97 125.62 2ida h TYR 101 Ca -0.22 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.43 2ida h TYR 101 Cb 1.06 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.80 2ida h TYR 101 CO 0.90 1.51 0.00 1.33 -1.05 0.00 0.00 178.16 180.85