#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 -2.22 3.17 5.66 0.81 -4.98 114.28 116.73 2ida n THR 2 Ca 0.00 -1.62 -0.36 0.00 -3.05 0.00 0.00 64.05 59.02 2ida n THR 2 Cb 0.00 0.74 0.00 0.00 -1.55 0.00 0.00 70.33 69.52 2ida n THR 2 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 2ida s MET 3 N -2.95 3.47 0.72 1.09 1.75 -1.26 -3.92 119.30 118.20 2ida s MET 3 Ca 0.23 1.72 -0.13 0.00 -1.25 0.00 0.00 55.69 56.26 2ida s MET 3 Cb 0.01 -2.17 0.03 0.00 2.84 0.00 0.00 34.83 35.54 2ida s MET 3 CO 0.16 -0.78 1.10 0.20 -0.65 0.00 0.00 175.02 175.05 2ida s GLY 4 N -1.55 1.91 0.51 2.11 0.00 -1.26 -4.75 107.32 104.29 2ida s GLY 4 Ca 0.69 0.40 0.07 0.00 0.00 0.00 0.00 44.72 45.89 2ida s GLY 4 CO 0.31 0.75 0.51 0.00 0.00 0.00 0.00 173.10 174.68 2ida h ARG 6 N 0.65 0.00 0.00 0.00 0.11 -2.02 -0.40 114.38 112.72 2ida h ARG 6 Ca -0.36 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.68 2ida h ARG 6 Cb 1.29 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.36 2ida h ARG 6 CO 0.52 0.00 -0.19 0.45 0.10 0.00 0.00 179.97 180.85 2ida h HIS 7 N 0.00 0.00 -0.01 4.08 3.86 -2.01 -2.40 115.15 118.67 2ida h HIS 7 Ca 0.16 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.30 2ida h HIS 7 Cb 0.70 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 2ida h HIS 7 CO 0.00 0.19 -0.30 0.28 0.86 0.00 0.00 177.93 178.96 2ida h VAL 8 N 0.00 1.22 0.00 2.45 2.07 -1.45 -1.73 116.25 118.81 2ida h VAL 8 Ca -0.00 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.47 2ida h VAL 8 Cb 0.50 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2ida h VAL 8 CO 0.02 0.30 0.00 0.00 0.02 0.00 0.00 177.57 177.91 2ida n ALA 9 N -2.48 1.67 0.86 1.67 0.00 -0.90 -2.33 120.51 118.99 2ida n ALA 9 Ca -0.02 0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.57 2ida n ALA 9 Cb 0.35 -1.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.34 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 0.02 -0.66 3.88 0.00 0.00 -0.66 -4.97 105.19 102.80 2ida n GLY 10 Ca 0.02 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.67 4.86 0.37 -0.61 -4.36 -0.99 -5.01 121.20 112.78 2ida s ILE 11 Ca 0.07 0.46 0.03 0.00 -0.26 0.00 0.00 60.65 60.95 2ida s ILE 11 Cb 0.14 -3.73 -0.04 0.00 1.25 0.00 0.00 42.46 40.08 2ida s ILE 11 CO 0.73 -0.45 0.10 0.00 0.24 0.00 0.00 174.94 175.55 2ida s ARG 12 N -3.74 1.78 -0.49 0.37 1.70 0.13 -5.02 118.95 113.69 2ida s ARG 12 Ca 0.49 -2.05 -0.25 0.00 -0.47 0.00 0.00 55.73 53.45 2ida s ARG 12 Cb -0.10 -0.70 0.03 0.00 -0.57 0.00 0.00 34.95 33.61 2ida s ARG 12 CO 0.31 -0.35 0.93 0.99 -1.08 0.00 0.00 175.30 176.09 2ida s THR 13 N -3.29 4.45 0.37 4.99 2.01 -1.26 -4.50 115.64 118.41 2ida s THR 13 Ca 0.29 0.62 0.06 0.00 0.31 0.00 0.00 61.69 62.97 2ida s THR 13 Cb 0.05 -4.46 -0.00 0.00 0.01 0.00 0.00 72.50 68.10 2ida s THR 13 CO 0.15 -0.91 0.52 0.68 -0.69 0.00 0.00 174.62 174.36 2ida s VAL 14 N 3.80 3.78 -0.22 3.82 -7.23 -1.26 -5.07 120.40 118.02 2ida s VAL 14 Ca 0.35 -0.95 -0.06 0.00 -1.81 0.00 0.00 61.98 59.51 2ida s VAL 14 Cb -0.11 -3.31 -0.02 0.00 0.56 0.00 0.00 36.38 33.50 2ida s VAL 14 CO 0.24 -0.13 0.02 -0.89 -0.31 0.00 0.00 175.10 174.04 2ida s THR 15 N -2.26 4.02 0.10 5.32 2.01 -1.26 -4.72 115.64 118.85 2ida s THR 15 Ca 0.48 -0.28 -0.31 0.00 0.31 0.00 0.00 61.69 61.89 2ida s THR 15 Cb -0.10 -2.85 -0.10 0.00 0.01 0.00 0.00 72.50 69.46 2ida s THR 15 CO 0.32 0.39 1.88 -2.65 -0.69 0.00 0.00 174.62 173.88 2ida n PRO 16 N 4.62 2.83 0.07 4.92 -0.02 -1.26 -4.64 135.00 141.51 2ida n PRO 16 Ca -0.17 1.03 0.01 0.00 -2.02 0.00 0.00 63.50 62.36 2ida n PRO 16 Cb 0.51 -2.95 0.35 0.00 -0.02 0.00 0.00 33.50 31.40 2ida n PRO 16 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2ida h SER 17 N 9.19 0.34 -5.46 2.55 0.87 -1.33 -3.45 113.55 116.26 2ida h SER 17 Ca -0.47 -0.06 -0.19 0.00 -1.23 0.00 0.00 61.79 59.83 2ida h SER 17 Cb 1.23 -0.09 -0.15 0.00 -0.44 0.00 0.00 62.40 62.95 2ida h SER 17 CO 0.95 0.45 -0.61 0.00 -0.53 0.00 0.00 176.83 177.09 2ida s ALA 18 N -4.85 0.88 0.07 6.23 0.00 -1.26 -5.05 121.76 117.77 2ida s ALA 18 Ca -0.06 -1.49 -0.18 0.00 0.00 0.00 0.00 51.96 50.23 2ida s ALA 18 Cb 0.15 1.03 -0.12 0.00 0.00 0.00 0.00 23.12 24.18 2ida s ALA 18 CO 0.75 -0.54 1.36 -0.07 0.00 0.00 0.00 175.76 177.26 2ida h LEU 19 N 2.76 0.57 0.00 0.00 4.07 -1.95 -3.46 115.31 117.30 2ida h LEU 19 Ca -0.35 -0.50 0.00 0.00 0.08 0.00 0.00 57.88 57.11 2ida h LEU 19 Cb 1.22 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.80 2ida h LEU 19 CO 0.56 0.95 0.00 0.61 -1.08 0.00 0.00 178.44 179.48 2ida n GLY 20 N 0.24 5.55 3.55 0.83 0.00 -1.26 -4.85 105.19 109.25 2ida n GLY 20 Ca -0.05 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 44.07 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 10.24 0.07 -0.73 0.00 9.09 -1.96 -1.40 114.58 129.89 2ida h GLU 22 Ca -0.16 -0.01 -0.03 0.00 0.05 0.00 0.00 59.36 59.21 2ida h GLU 22 Cb 1.05 -0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 28.10 2ida h GLU 22 CO 1.31 0.18 0.34 1.49 0.05 0.00 0.00 179.01 182.38 2ida h GLU 23 N 0.07 1.06 -0.00 1.06 4.57 -1.89 -1.66 114.58 117.79 2ida h GLU 23 Ca 0.02 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 57.95 2ida h GLU 23 Cb 0.22 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 2ida h GLU 23 CO 0.01 0.84 -0.40 0.00 -1.18 0.00 0.00 179.01 178.29 2ida h LEU 25 N 0.01 0.00 -0.33 0.00 3.38 -0.74 0.28 115.31 117.91 2ida h LEU 25 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ida h LEU 25 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2ida h LEU 25 CO 0.05 0.00 0.00 0.07 0.09 0.00 0.00 178.44 178.65 2ida h LYS 26 N 0.00 0.00 0.00 1.13 2.10 -1.18 -3.23 116.57 115.39 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 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 2ida h LYS 26 CO 0.00 0.00 0.00 0.44 -2.00 0.00 0.00 179.45 177.89 2ida n ILE 27 N -2.54 0.00 -2.69 0.07 -5.35 -0.99 -5.02 119.36 102.84 2ida n ILE 27 Ca 0.04 -0.32 -0.08 0.00 -0.27 0.00 0.00 62.75 62.13 2ida n ILE 27 Cb 0.39 1.31 0.04 0.00 -1.74 0.00 0.00 39.64 39.64 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 0.11 0.18 3.51 3.28 0.00 -0.01 -5.01 105.19 107.24 2ida n GLY 28 Ca 0.00 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.43 6.21 -0.15 1.61 0.15 0.77 -5.01 113.70 113.85 2ida s SER 29 Ca 0.07 -0.45 -0.29 0.00 0.70 0.00 0.00 55.95 55.98 2ida s SER 29 Cb -0.03 -2.23 -0.05 0.00 -1.71 0.00 0.00 66.02 62.01 2ida s SER 29 CO 0.30 -0.51 1.78 -2.84 1.20 0.00 0.00 173.24 173.17 2ida s PRO 30 N 2.17 3.81 0.42 5.44 0.02 -1.26 -4.64 135.00 140.96 2ida s PRO 30 Ca 0.13 1.97 -0.10 0.00 0.02 0.00 0.00 61.00 63.02 2ida s PRO 30 Cb -0.17 -4.10 -0.06 0.00 0.02 0.00 0.00 34.50 30.19 2ida s PRO 30 CO 0.13 -1.29 0.78 1.67 -0.33 0.00 0.00 177.00 177.96 2ida s TRP 31 N 5.37 3.49 -0.19 6.54 -2.14 -1.26 -5.00 118.94 125.74 2ida s TRP 31 Ca 0.79 1.02 -0.17 0.00 2.66 0.00 0.00 56.10 60.40 2ida s TRP 31 Cb -0.31 -2.43 -0.13 0.00 -3.10 0.00 0.00 33.47 27.51 2ida s TRP 31 CO 0.32 -0.14 0.01 0.28 -2.66 0.00 0.00 176.95 174.76 2ida n VAL 32 N -1.47 1.50 -4.23 -0.66 0.31 -1.26 -4.30 118.33 108.22 2ida n VAL 32 Ca 0.02 0.02 -0.13 0.00 -0.01 0.00 0.00 64.34 64.24 2ida n VAL 32 Cb 0.54 -2.15 -0.10 0.00 -0.91 0.00 0.00 33.84 31.22 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 -2.37 1.22 -0.04 3.52 0.09 -1.26 -4.72 115.29 111.74 2ida s HIS 33 Ca -0.25 -1.27 0.03 0.00 -0.00 0.00 0.00 55.06 53.57 2ida s HIS 33 Cb 0.05 -0.65 0.00 0.00 -0.00 0.00 0.00 32.58 31.98 2ida s HIS 33 CO 0.46 -0.50 -0.13 -0.51 -0.00 0.00 0.00 174.74 174.06 2ida s LEU 34 N -3.19 1.84 -0.04 0.89 1.43 -1.26 0.28 118.68 118.63 2ida s LEU 34 Ca 0.35 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 2ida s LEU 34 Cb 0.07 -0.78 0.01 0.00 0.03 0.00 0.00 46.19 45.52 2ida s LEU 34 CO 0.10 0.11 -0.10 -0.13 0.23 0.00 0.00 176.35 176.55 2ida s ARG 35 N 0.15 1.21 -0.03 1.70 0.52 0.92 -0.91 118.95 122.52 2ida s ARG 35 Ca -0.04 -0.35 0.05 0.00 -0.52 0.00 0.00 55.73 54.86 2ida s ARG 35 Cb -0.11 -1.09 -0.01 0.00 0.52 0.00 0.00 34.95 34.27 2ida s ARG 35 CO 0.02 0.10 -0.18 -1.50 0.02 0.00 0.00 175.30 173.75 2ida s ILE 36 N 0.32 1.49 0.50 1.52 2.07 -0.32 -0.61 121.20 126.17 2ida s ILE 36 Ca -0.06 -0.78 -0.22 0.00 -1.41 0.00 0.00 60.65 58.18 2ida s ILE 36 Cb -0.11 -1.26 -0.06 0.00 0.13 0.00 0.00 42.46 41.16 2ida s ILE 36 CO 0.01 0.42 1.20 0.00 -1.91 0.00 0.00 174.94 174.67 2ida n ARG 38 N -0.77 1.51 0.04 0.00 5.12 -1.13 -3.61 116.66 117.81 2ida n ARG 38 Ca 0.09 -1.06 0.00 0.00 -1.93 0.00 0.00 57.85 54.95 2ida n ARG 38 Cb 0.48 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.36 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 0.42 0.01 0.12 0.55 -1.04 -1.26 -0.69 114.28 112.39 2ida n THR 39 Ca 0.21 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.33 2ida n THR 39 Cb 0.68 -0.14 -0.00 0.00 -1.82 0.00 0.00 70.33 69.04 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 1.20 0.47 3.70 0.00 0.00 -1.24 -4.88 105.19 104.44 2ida n GLY 41 Ca -0.00 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.97 3.52 -0.08 1.61 5.65 -1.26 -0.83 115.29 121.92 2ida s HIS 42 Ca 0.00 1.15 -0.20 0.00 0.25 0.00 0.00 55.06 56.26 2ida s HIS 42 Cb 0.00 -2.80 -0.04 0.00 -1.18 0.00 0.00 32.58 28.56 2ida s HIS 42 CO 0.00 0.01 0.57 0.08 -0.65 0.00 0.00 174.74 174.76 2ida s VAL 43 N 1.13 5.09 0.07 0.89 1.01 -1.26 -3.50 120.40 123.82 2ida s VAL 43 Ca 0.35 1.17 0.06 0.00 0.00 0.00 0.00 61.98 63.56 2ida s VAL 43 Cb -0.17 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 2ida s VAL 43 CO 0.15 0.32 -0.16 -0.83 0.00 0.00 0.00 175.10 174.59 2ida s GLY 44 N 0.50 0.93 0.29 4.51 0.00 0.22 -4.47 107.32 109.31 2ida s GLY 44 Ca 0.31 -1.00 -0.29 0.00 0.00 0.00 0.00 44.72 43.73 2ida s GLY 44 CO 0.14 -1.00 1.13 0.00 0.00 0.00 0.00 173.10 173.37 2ida n ASP 47 N -4.59 0.00 -0.08 0.00 5.75 -1.26 -2.36 116.55 114.01 2ida n ASP 47 Ca 0.08 -0.10 -0.09 0.00 -0.01 0.00 0.00 54.79 54.67 2ida n ASP 47 Cb 0.53 -0.23 -0.02 0.00 -1.03 0.00 0.00 41.12 40.37 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 0.32 -3.80 -1.12 3.32 -1.94 -3.42 116.42 109.77 2ida h ASP 48 Ca 0.00 -0.02 -0.49 0.00 0.02 0.00 0.00 57.03 56.55 2ida h ASP 48 Cb 0.14 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2ida h ASP 48 CO 0.00 0.24 0.37 -0.94 -1.72 0.00 0.00 179.24 177.19 2ida s SER 49 N -5.46 7.48 0.63 6.45 1.04 -1.00 -4.94 113.70 117.91 2ida s SER 49 Ca -0.13 1.98 0.43 0.00 0.48 0.00 0.00 55.95 58.70 2ida s SER 49 Cb 0.09 -2.60 2.31 0.00 0.10 0.00 0.00 66.02 65.92 2ida s SER 49 CO 0.70 0.03 2.31 1.55 0.98 0.00 0.00 173.24 178.81 2ida h PRO 50 N 3.79 0.00 -0.33 4.02 0.13 -1.87 -0.71 132.00 137.03 2ida h PRO 50 Ca -0.46 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.58 2ida h PRO 50 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2ida h PRO 50 CO 0.67 0.00 -0.17 1.25 -0.23 0.00 0.00 178.00 179.51 2ida h HIS 51 N 0.00 0.66 -6.85 1.56 2.76 -1.92 -3.47 115.15 107.89 2ida h HIS 51 Ca 0.00 -0.13 -0.57 0.00 -2.20 0.00 0.00 60.37 57.47 2ida h HIS 51 Cb 0.00 -0.17 -0.12 0.00 1.55 0.00 0.00 27.41 28.68 2ida h HIS 51 CO 0.00 0.74 -0.95 1.63 -1.30 0.00 0.00 177.93 178.04 2ida n LYS 52 N -4.15 -1.46 0.18 5.26 5.02 -0.28 -4.82 118.16 117.91 2ida n LYS 52 Ca 0.00 0.19 0.14 0.00 -2.02 0.00 0.00 58.31 56.62 2ida n LYS 52 Cb 0.38 -3.68 0.49 0.00 -0.02 0.00 0.00 35.03 32.20 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 -1.96 0.00 0.02 2.13 2.76 -1.74 -1.79 115.15 114.57 2ida h HIS 53 Ca -0.66 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 57.40 2ida h HIS 53 Cb 1.39 0.00 0.01 0.00 1.55 0.00 0.00 27.41 30.36 2ida h HIS 53 CO 0.47 0.00 -0.41 0.00 -1.30 0.00 0.00 177.93 176.69 2ida h ALA 54 N 2.20 0.03 0.03 5.26 0.00 -1.29 -3.10 119.26 122.39 2ida h ALA 54 Ca 0.00 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 2ida h ALA 54 Cb 0.56 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.39 2ida h ALA 54 CO 0.00 0.20 -0.30 1.79 0.00 0.00 0.00 179.25 180.94 2ida h THR 55 N -0.40 1.60 -0.33 0.00 1.35 -1.76 -2.88 112.91 110.50 2ida h THR 55 Ca -0.06 -2.15 -0.01 0.00 -0.55 0.00 0.00 66.41 63.64 2ida h THR 55 Cb 1.18 3.00 -0.02 0.00 -1.73 0.00 0.00 68.15 70.59 2ida h THR 55 CO 0.08 0.59 0.17 0.03 -0.25 0.00 0.00 175.52 176.14 2ida h ARG 56 N -0.60 0.44 -0.52 4.72 3.08 -1.52 -1.35 114.38 118.64 2ida h ARG 56 Ca -0.04 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2ida h ARG 56 Cb 1.12 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 2ida h ARG 56 CO 0.06 0.33 0.27 1.25 -1.07 0.00 0.00 179.97 180.80 2ida h HIS 57 N 0.45 0.72 -0.52 3.04 2.76 -1.56 -1.95 115.15 118.09 2ida h HIS 57 Ca 0.12 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 2ida h HIS 57 Cb 0.02 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 28.73 2ida h HIS 57 CO 0.00 0.55 0.31 0.35 -1.30 0.00 0.00 177.93 177.84 2ida h PHE 58 N 0.69 0.70 -0.00 5.26 3.57 -1.05 0.24 116.94 126.34 2ida h PHE 58 Ca 0.18 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2ida h PHE 58 Cb 0.08 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.59 2ida h PHE 58 CO -0.01 0.50 0.00 1.25 -2.23 0.00 0.00 178.31 177.82 2ida h HIS 59 N 0.70 0.00 0.00 0.41 2.76 -0.97 0.22 115.15 118.27 2ida h HIS 59 Ca 0.19 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.24 2ida h HIS 59 Cb 0.01 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.95 2ida h HIS 59 CO -0.02 0.00 -0.87 0.00 -1.30 0.00 0.00 177.93 175.74 2ida h ALA 60 N 2.00 0.13 0.21 5.26 0.00 -0.82 -3.42 119.26 122.62 2ida h ALA 60 Ca 0.00 -0.85 -0.32 0.00 0.00 0.00 0.00 54.91 53.74 2ida h ALA 60 Cb 0.01 0.62 0.04 0.00 0.00 0.00 0.00 17.79 18.45 2ida h ALA 60 CO -0.00 0.60 -1.37 1.79 0.00 0.00 0.00 179.25 180.26 2ida h THR 61 N -1.00 1.30 -0.43 0.00 1.35 -0.48 -3.48 112.91 110.16 2ida h THR 61 Ca -0.17 -2.62 0.00 0.00 -0.55 0.00 0.00 66.41 63.07 2ida h THR 61 Cb 0.90 2.96 0.00 0.00 -1.73 0.00 0.00 68.15 70.27 2ida h THR 61 CO -0.11 0.79 0.00 0.61 -0.25 0.00 0.00 175.52 176.56 2ida n GLY 62 N 1.62 1.01 3.19 5.82 0.00 0.75 -5.06 105.19 112.53 2ida n GLY 62 Ca -0.16 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.43 3.50 -0.21 1.61 3.76 -1.25 -4.95 115.29 115.31 2ida s HIS 63 Ca 0.00 -2.19 0.27 0.00 -0.15 0.00 0.00 55.06 52.99 2ida s HIS 63 Cb 0.00 -3.46 0.75 0.00 1.11 0.00 0.00 32.58 30.99 2ida s HIS 63 CO 0.00 -0.95 1.76 -1.00 -0.85 0.00 0.00 174.74 173.70 2ida h PRO 64 N 7.86 0.00 -4.93 8.40 0.13 -1.92 -3.43 132.00 138.10 2ida h PRO 64 Ca -0.08 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.40 2ida h PRO 64 Cb 1.03 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.96 2ida h PRO 64 CO 0.79 0.02 -0.58 0.42 -0.23 0.00 0.00 178.00 178.42 2ida s ILE 65 N -3.40 4.76 -0.02 -3.56 1.01 -1.25 0.27 121.20 119.01 2ida s ILE 65 Ca 0.04 -0.02 0.04 0.00 0.00 0.00 0.00 60.65 60.71 2ida s ILE 65 Cb 0.07 -3.25 -0.00 0.00 0.01 0.00 0.00 42.46 39.29 2ida s ILE 65 CO 0.62 0.30 -0.12 0.27 0.00 0.00 0.00 174.94 176.01 2ida s ILE 66 N 1.66 1.02 -0.04 2.92 -4.36 0.28 -2.86 121.20 119.82 2ida s ILE 66 Ca 0.07 -0.52 -0.02 0.00 -0.26 0.00 0.00 60.65 59.92 2ida s ILE 66 Cb -0.15 -0.87 -0.04 0.00 1.25 0.00 0.00 42.46 42.65 2ida s ILE 66 CO 0.07 0.30 0.07 -0.70 0.24 0.00 0.00 174.94 174.92 2ida s GLU 67 N -0.06 3.11 -0.32 0.37 2.12 0.18 0.38 118.70 124.48 2ida s GLU 67 Ca 0.00 -0.41 -0.28 0.00 0.36 0.00 0.00 54.97 54.64 2ida s GLU 67 Cb -0.08 -2.90 -0.02 0.00 0.26 0.00 0.00 34.13 31.40 2ida s GLU 67 CO 0.00 0.68 1.83 0.20 -0.54 0.00 0.00 175.26 177.43 2ida s GLY 68 N -1.44 0.78 -0.11 -1.50 0.00 -1.09 -1.17 107.32 102.79 2ida s GLY 68 Ca 0.20 0.32 -0.02 0.00 0.00 0.00 0.00 44.72 45.22 2ida s GLY 68 CO 0.10 3.31 0.38 2.98 0.00 0.00 0.00 173.10 179.87 2ida n TYR 69 N 10.34 1.10 0.09 1.90 9.36 -0.09 -4.31 117.16 135.57 2ida n TYR 69 Ca 0.23 0.26 -0.13 0.00 3.32 0.00 0.00 57.90 61.58 2ida n TYR 69 Cb 0.46 -1.16 -0.13 0.00 -0.63 0.00 0.00 39.34 37.89 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 0.05 0.31 -3.47 2.98 2.03 -1.87 -3.43 116.42 113.02 2ida h ASP 70 Ca -0.41 -0.33 -0.60 0.00 -0.73 0.00 0.00 57.03 54.96 2ida h ASP 70 Cb 2.03 -0.10 -0.11 0.00 -0.83 0.00 0.00 39.33 40.32 2ida h ASP 70 CO 0.07 1.25 0.05 -2.16 -1.03 0.00 0.00 179.24 177.43 2ida s PRO 71 N -2.69 4.16 -0.06 4.15 0.05 -1.26 -4.96 135.00 134.38 2ida s PRO 71 Ca -0.03 0.48 -0.04 0.00 0.05 0.00 0.00 61.00 61.47 2ida s PRO 71 Cb 0.08 -3.60 -0.15 0.00 0.05 0.00 0.00 34.50 30.88 2ida s PRO 71 CO 0.87 -0.26 2.26 -2.30 0.05 0.00 0.00 177.00 177.62 2ida n PRO 72 N 5.18 1.20 -0.13 0.56 -0.02 -1.26 -4.04 135.00 136.49 2ida n PRO 72 Ca -0.03 -0.63 -0.26 0.00 -2.02 0.00 0.00 63.50 60.56 2ida n PRO 72 Cb 0.50 -1.83 -0.09 0.00 -0.02 0.00 0.00 33.50 32.05 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 2.82 0.58 -0.79 -0.52 1.02 -1.26 -5.09 120.64 117.39 2ida n GLU 73 Ca 0.26 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 2ida n GLU 73 Cb 0.49 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 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 1.30 -0.63 3.34 0.62 0.00 -1.26 -4.52 105.19 104.05 2ida n GLY 74 Ca -0.47 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.33 -0.32 -0.18 1.61 1.48 -1.26 -1.41 118.94 118.54 2ida s TRP 75 Ca 0.00 0.33 -0.00 0.00 -1.06 0.00 0.00 56.10 55.36 2ida s TRP 75 Cb 0.00 0.25 0.01 0.00 -1.16 0.00 0.00 33.47 32.57 2ida s TRP 75 CO 0.00 -0.58 -0.15 0.20 -4.06 0.00 0.00 176.95 172.36 2ida s GLY 76 N -1.92 1.46 -0.13 3.67 0.00 0.14 -2.68 107.32 107.87 2ida s GLY 76 Ca -0.06 -1.17 -0.15 0.00 0.00 0.00 0.00 44.72 43.35 2ida s GLY 76 CO -0.01 0.26 0.35 0.86 0.00 0.00 0.00 173.10 174.55 2ida s TRP 77 N 1.22 3.51 -0.39 1.90 -0.11 0.16 -1.34 118.94 123.89 2ida s TRP 77 Ca 0.03 0.71 -0.04 0.00 1.22 0.00 0.00 56.10 58.02 2ida s TRP 77 Cb -0.14 -2.38 0.09 0.00 -1.50 0.00 0.00 33.47 29.55 2ida s TRP 77 CO -0.07 0.28 0.18 0.00 -4.62 0.00 0.00 176.95 172.72 2ida h TYR 79 N 8.13 -0.79 0.00 0.00 0.05 -0.49 0.57 116.97 124.43 2ida h TYR 79 Ca -0.17 0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.64 2ida h TYR 79 Cb 1.06 0.38 -0.00 0.00 1.01 0.00 0.00 36.73 39.18 2ida h TYR 79 CO 0.58 -0.20 -0.08 -0.39 -1.05 0.00 0.00 178.16 177.02 2ida h VAL 80 N -0.11 0.31 0.05 -2.88 -1.51 -1.95 -2.08 116.25 108.08 2ida h VAL 80 Ca 0.05 -0.52 -0.28 0.00 -1.23 0.00 0.00 66.70 64.71 2ida h VAL 80 Cb 0.23 1.39 -0.03 0.00 -2.13 0.00 0.00 31.29 30.76 2ida h VAL 80 CO -0.32 0.08 -1.52 0.44 -1.23 0.00 0.00 177.57 175.02 2ida h ASP 81 N 0.00 0.17 -1.46 4.19 5.19 -1.70 -3.48 116.42 119.33 2ida h ASP 81 Ca -0.00 -0.26 -0.26 0.00 -0.62 0.00 0.00 57.03 55.89 2ida h ASP 81 Cb 0.39 -0.05 -0.04 0.00 0.18 0.00 0.00 39.33 39.80 2ida h ASP 81 CO 0.01 1.22 -0.30 -0.62 -3.12 0.00 0.00 179.24 176.43 2ida n GLU 82 N -3.28 -0.99 -4.37 3.56 1.02 0.19 -5.01 120.64 111.75 2ida n GLU 82 Ca -0.14 0.72 -0.27 0.00 -0.02 0.00 0.00 57.16 57.45 2ida n GLU 82 Cb 1.02 -4.89 -0.11 0.00 -0.02 0.00 0.00 31.44 27.45 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 -2.59 2.64 -0.22 2.62 -7.23 -1.22 -4.98 120.40 109.41 2ida s VAL 83 Ca 0.00 -1.87 0.02 0.00 -1.81 0.00 0.00 61.98 58.32 2ida s VAL 83 Cb 0.00 -2.27 0.05 0.00 0.56 0.00 0.00 36.38 34.72 2ida s VAL 83 CO 0.00 -0.09 -0.11 -0.32 -0.31 0.00 0.00 175.10 174.27 2ida s MET 84 N -2.65 2.20 0.21 4.82 1.75 -1.26 -1.49 119.30 122.88 2ida s MET 84 Ca 0.21 -1.04 0.06 0.00 -1.25 0.00 0.00 55.69 53.67 2ida s MET 84 Cb -0.08 -2.63 -0.04 0.00 2.84 0.00 0.00 34.83 34.92 2ida s MET 84 CO 0.11 -0.47 0.20 -0.59 -0.65 0.00 0.00 175.02 173.63 2ida s PHE 85 N 1.27 3.20 0.12 4.11 -0.71 -0.45 -0.13 117.98 125.39 2ida s PHE 85 Ca -0.04 -0.05 -0.28 0.00 -1.04 0.00 0.00 56.93 55.52 2ida s PHE 85 Cb -0.17 -1.48 -0.06 0.00 -1.21 0.00 0.00 43.02 40.09 2ida s PHE 85 CO -0.07 0.51 0.89 0.34 -1.34 0.00 0.00 175.22 175.55 2ida s ASP 86 N -3.56 7.44 -0.03 1.98 -1.08 -1.25 0.29 116.67 120.45 2ida s ASP 86 Ca 0.32 1.71 0.05 0.00 -0.52 0.00 0.00 52.55 54.12 2ida s ASP 86 Cb -0.09 -2.55 0.07 0.00 -1.46 0.00 0.00 42.92 38.89 2ida s ASP 86 CO 0.25 0.02 0.96 0.18 0.52 0.00 0.00 175.17 177.10 2ida n LEU 87 N 2.47 0.71 0.25 -1.34 4.77 -0.74 -4.77 117.00 118.35 2ida n LEU 87 Ca -0.00 -1.43 0.08 0.00 -0.03 0.00 0.00 56.01 54.63 2ida n LEU 87 Cb 0.49 -0.10 0.61 0.00 -2.33 0.00 0.00 43.42 42.09 2ida n LEU 87 CO 0.49 0.34 1.02 0.77 -1.33 0.00 0.00 177.39 178.68 2ida h SER 88 N 0.00 0.00 0.43 -1.43 4.64 -1.47 0.16 113.55 115.88 2ida h SER 88 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ida h SER 88 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2ida h SER 88 CO 0.00 0.06 -0.09 0.47 -0.87 0.00 0.00 176.83 176.40 2ida n ASP 89 N -4.43 0.35 -0.73 4.97 8.00 -1.26 -3.61 116.55 119.85 2ida n ASP 89 Ca -0.03 -0.44 0.02 0.00 0.71 0.00 0.00 54.79 55.05 2ida n ASP 89 Cb 0.14 -0.12 0.02 0.00 -0.02 0.00 0.00 41.12 41.14 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 -1.06 0.12 -1.60 -1.24 1.74 0.21 -5.12 116.66 109.71 2ida n ARG 90 Ca 0.14 -1.41 -0.35 0.00 -0.77 0.00 0.00 57.85 55.46 2ida n ARG 90 Cb 0.27 -0.47 0.08 0.00 -1.02 0.00 0.00 32.46 31.32 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 -0.26 2.39 0.00 5.56 0.23 0.30 -4.93 119.30 122.59 2ida s MET 91 Ca 0.12 1.78 -0.30 0.00 -1.03 0.00 0.00 55.69 56.26 2ida s MET 91 Cb 0.12 -1.86 -0.06 0.00 -1.53 0.00 0.00 34.83 31.51 2ida s MET 91 CO -0.04 -1.65 1.49 0.99 -2.03 0.00 0.00 175.02 173.77 2ida s THR 92 N -1.86 3.57 0.40 3.16 2.01 -1.26 -4.98 115.64 116.67 2ida s THR 92 Ca 0.75 0.93 -0.26 0.00 0.31 0.00 0.00 61.69 63.42 2ida s THR 92 Cb -0.30 -3.60 -0.09 0.00 0.01 0.00 0.00 72.50 68.53 2ida s THR 92 CO 0.42 -0.02 1.31 -2.16 -0.69 0.00 0.00 174.62 173.49 2ida s PRO 93 N 2.72 4.01 0.01 4.92 0.04 -1.26 -4.96 135.00 140.48 2ida s PRO 93 Ca 0.67 2.18 -0.30 0.00 0.04 0.00 0.00 61.00 63.59 2ida s PRO 93 Cb -0.33 -2.80 -0.06 0.00 0.04 0.00 0.00 34.50 31.36 2ida s PRO 93 CO 0.28 -0.47 1.42 -1.01 0.04 0.00 0.00 177.00 177.25 2ida s HIS 94 N -1.24 2.84 0.22 0.56 3.76 -1.26 -4.74 115.29 115.42 2ida s HIS 94 Ca 0.56 0.79 0.13 0.00 -0.15 0.00 0.00 55.06 56.39 2ida s HIS 94 Cb -0.39 -3.68 0.39 0.00 1.11 0.00 0.00 32.58 30.01 2ida s HIS 94 CO 0.50 -2.54 1.61 -0.97 -0.85 0.00 0.00 174.74 172.49 2ida h ASN 95 N 7.82 0.00 -1.66 1.40 -1.24 -1.91 -3.48 115.58 116.52 2ida h ASN 95 Ca -0.38 0.00 0.11 0.00 0.71 0.00 0.00 56.30 56.73 2ida h ASN 95 Cb 1.18 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.21 2ida h ASN 95 CO 0.90 0.58 0.37 0.61 -1.29 0.00 0.00 177.43 178.59 2ida n GLY 96 N 0.37 0.83 3.62 1.57 0.00 -1.26 -5.02 105.19 105.30 2ida n GLY 96 Ca -0.01 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.03 3.70 -0.16 1.61 0.02 -1.26 -4.99 135.00 131.89 2ida s PRO 97 Ca 0.14 1.34 -0.20 0.00 0.02 0.00 0.00 61.00 62.30 2ida s PRO 97 Cb -0.01 -4.02 -0.03 0.00 0.02 0.00 0.00 34.50 30.45 2ida s PRO 97 CO 0.03 -1.40 0.58 0.42 -0.33 0.00 0.00 177.00 176.30 2ida s ILE 98 N 5.31 5.08 0.01 2.83 1.01 -1.26 -5.02 121.20 129.16 2ida s ILE 98 Ca 0.66 1.13 -0.30 0.00 0.00 0.00 0.00 60.65 62.14 2ida s ILE 98 Cb -0.20 -3.91 -0.07 0.00 0.01 0.00 0.00 42.46 38.29 2ida s ILE 98 CO 0.29 0.20 1.68 -2.84 0.00 0.00 0.00 174.94 174.28 2ida s PRO 99 N 1.35 4.19 -0.38 2.79 0.02 -1.26 -4.98 135.00 136.72 2ida s PRO 99 Ca 0.29 2.29 -0.12 0.00 0.02 0.00 0.00 61.00 63.48 2ida s PRO 99 Cb -0.16 -3.85 0.02 0.00 0.02 0.00 0.00 34.50 30.54 2ida s PRO 99 CO 0.11 -0.81 0.23 0.50 -0.33 0.00 0.00 177.00 176.71 2ida s ARG 100 N 3.50 2.87 0.13 5.54 6.06 -1.26 -4.92 118.95 130.86 2ida s ARG 100 Ca 0.75 -1.06 0.26 0.00 -2.50 0.00 0.00 55.73 53.19 2ida s ARG 100 Cb -0.37 -3.78 0.81 0.00 0.06 0.00 0.00 34.95 31.67 2ida s ARG 100 CO 0.32 -0.70 1.71 0.66 -2.50 0.00 0.00 175.30 174.79 2ida n TYR 101 N 5.03 0.58 -0.42 5.12 4.01 -1.26 -5.15 117.16 125.08 2ida n TYR 101 Ca -0.12 0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 2ida n TYR 101 Cb 0.46 -0.74 0.00 0.00 -0.31 0.00 0.00 39.34 38.75 2ida n TYR 101 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73