#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 -2.12 3.17 5.66 0.29 -4.97 114.28 116.31 2ida n THR 2 Ca 0.00 -0.97 -0.42 0.00 -3.05 0.00 0.00 64.05 59.61 2ida n THR 2 Cb 0.00 0.31 -0.03 0.00 -1.55 0.00 0.00 70.33 69.07 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 -2.66 4.32 0.30 1.09 1.75 -1.26 -4.10 119.30 118.74 2ida s MET 3 Ca 0.07 2.16 -0.29 0.00 -1.25 0.00 0.00 55.69 56.37 2ida s MET 3 Cb 0.00 -3.18 -0.10 0.00 2.84 0.00 0.00 34.83 34.39 2ida s MET 3 CO 0.05 -0.37 1.38 0.20 -0.65 0.00 0.00 175.02 175.62 2ida s GLY 4 N 0.59 2.69 0.42 2.11 0.00 -1.26 -4.81 107.32 107.06 2ida s GLY 4 Ca 0.60 1.31 0.03 0.00 0.00 0.00 0.00 44.72 46.67 2ida s GLY 4 CO 0.37 2.10 0.61 0.00 0.00 0.00 0.00 173.10 176.18 2ida h ARG 6 N 0.55 0.00 0.00 0.00 0.11 -2.02 0.22 114.38 113.24 2ida h ARG 6 Ca -0.45 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.63 2ida h ARG 6 Cb 1.26 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.34 2ida h ARG 6 CO 0.54 0.00 -0.01 0.45 0.10 0.00 0.00 179.97 181.06 2ida h HIS 7 N 0.00 0.00 0.00 4.08 3.86 -2.00 -1.56 115.15 119.52 2ida h HIS 7 Ca 0.12 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 2ida h HIS 7 Cb 0.69 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.16 2ida h HIS 7 CO 0.00 0.01 -0.16 -0.24 0.86 0.00 0.00 177.93 178.39 2ida h VAL 8 N 0.00 0.88 0.00 2.45 3.04 -0.92 -0.11 116.25 121.59 2ida h VAL 8 Ca -0.00 -0.62 0.00 0.00 -1.01 0.00 0.00 66.70 65.07 2ida h VAL 8 Cb 0.02 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 30.66 2ida h VAL 8 CO 0.00 0.16 0.00 0.00 -1.01 0.00 0.00 177.57 176.72 2ida n ALA 9 N -2.40 2.52 0.48 3.17 0.00 -0.59 -2.85 120.51 120.84 2ida n ALA 9 Ca -0.02 -0.17 0.06 0.00 0.00 0.00 0.00 53.44 53.31 2ida n ALA 9 Cb 0.25 -1.44 0.05 0.00 0.00 0.00 0.00 19.45 18.31 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 0.72 -0.22 3.92 0.00 0.00 -0.06 -5.00 105.19 104.55 2ida n GLY 10 Ca 0.20 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.98 5.23 0.28 -0.61 -4.36 -1.13 -4.98 121.20 114.64 2ida s ILE 11 Ca 0.14 -0.26 0.04 0.00 -0.26 0.00 0.00 60.65 60.31 2ida s ILE 11 Cb 0.10 -3.68 -0.06 0.00 1.25 0.00 0.00 42.46 40.07 2ida s ILE 11 CO 0.15 -0.05 0.03 0.00 0.24 0.00 0.00 174.94 175.30 2ida s ARG 12 N -2.97 1.49 -0.20 0.37 1.70 -0.98 -5.06 118.95 113.30 2ida s ARG 12 Ca 0.38 -1.79 -0.29 0.00 -0.47 0.00 0.00 55.73 53.56 2ida s ARG 12 Cb -0.12 -0.73 -0.03 0.00 -0.57 0.00 0.00 34.95 33.51 2ida s ARG 12 CO 0.27 -0.14 1.57 0.99 -1.08 0.00 0.00 175.30 176.91 2ida s THR 13 N -3.37 3.76 0.35 4.99 2.01 -1.26 -4.68 115.64 117.44 2ida s THR 13 Ca 0.33 0.87 0.08 0.00 0.31 0.00 0.00 61.69 63.28 2ida s THR 13 Cb 0.07 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 2ida s THR 13 CO 0.12 -0.27 0.13 0.68 -0.69 0.00 0.00 174.62 174.59 2ida s VAL 14 N 4.87 2.82 -0.24 3.82 -7.23 -1.26 -5.06 120.40 118.12 2ida s VAL 14 Ca 0.69 -1.74 -0.09 0.00 -1.81 0.00 0.00 61.98 59.04 2ida s VAL 14 Cb -0.25 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.70 2ida s VAL 14 CO 0.28 -0.15 0.11 -0.89 -0.31 0.00 0.00 175.10 174.13 2ida s THR 15 N -2.47 4.79 -0.60 5.32 2.01 -1.26 -4.93 115.64 118.49 2ida s THR 15 Ca 0.38 -0.02 -0.27 0.00 0.31 0.00 0.00 61.69 62.09 2ida s THR 15 Cb -0.01 -3.23 -0.02 0.00 0.01 0.00 0.00 72.50 69.26 2ida s THR 15 CO 0.22 0.35 1.79 -2.84 -0.69 0.00 0.00 174.62 173.46 2ida s PRO 16 N 1.24 2.75 0.27 4.92 0.02 -1.26 -4.46 135.00 138.48 2ida s PRO 16 Ca 0.06 0.60 0.25 0.00 0.02 0.00 0.00 61.00 61.93 2ida s PRO 16 Cb -0.14 -4.35 0.97 0.00 0.02 0.00 0.00 34.50 31.00 2ida s PRO 16 CO 0.05 -2.59 1.74 1.03 -0.33 0.00 0.00 177.00 176.90 2ida h SER 17 N 14.28 0.00 -5.16 2.53 0.87 -1.91 -3.45 113.55 120.72 2ida h SER 17 Ca -0.27 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.08 2ida h SER 17 Cb 1.15 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 62.96 2ida h SER 17 CO 1.21 0.00 -0.65 0.00 -0.53 0.00 0.00 176.83 176.86 2ida s ALA 18 N -3.30 1.00 -0.18 6.23 0.00 -1.26 -5.08 121.76 119.17 2ida s ALA 18 Ca 0.05 -1.51 -0.17 0.00 0.00 0.00 0.00 51.96 50.34 2ida s ALA 18 Cb 0.10 0.77 -0.06 0.00 0.00 0.00 0.00 23.12 23.92 2ida s ALA 18 CO 0.44 -0.44 -0.33 1.28 0.00 0.00 0.00 175.76 176.71 2ida n LEU 19 N -0.14 1.89 0.00 0.00 4.77 -1.26 -4.91 117.00 117.36 2ida n LEU 19 Ca -0.06 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2ida n LEU 19 Cb 0.64 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2ida n LEU 19 CO 0.31 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 2ida n GLY 20 N 1.55 1.15 3.56 -0.72 0.00 -1.26 -4.95 105.19 104.52 2ida n GLY 20 Ca -0.17 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.47 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 12.97 0.86 -0.08 0.00 9.09 -1.94 0.19 114.58 135.68 2ida h GLU 22 Ca -0.27 -0.05 -0.20 0.00 0.05 0.00 0.00 59.36 58.88 2ida h GLU 22 Cb 1.13 -0.19 0.00 0.00 -1.65 0.00 0.00 28.75 28.04 2ida h GLU 22 CO 1.19 0.57 -0.79 1.49 0.05 0.00 0.00 179.01 181.52 2ida h GLU 23 N 0.89 0.49 0.00 1.06 4.81 -1.94 -2.75 114.58 117.13 2ida h GLU 23 Ca 0.52 -0.42 -0.09 0.00 -0.13 0.00 0.00 59.36 59.24 2ida h GLU 23 Cb 0.64 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 2ida h GLU 23 CO -0.31 1.06 -0.41 0.00 -0.73 0.00 0.00 179.01 178.62 2ida h LEU 25 N 0.00 0.00 -0.31 0.00 3.38 -0.72 0.22 115.31 117.88 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 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2ida h LEU 25 CO 0.05 0.23 0.00 0.07 0.09 0.00 0.00 178.44 178.89 2ida h LYS 26 N 0.00 0.00 -0.09 1.13 2.10 -1.30 -2.73 116.57 115.68 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 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 2ida h LYS 26 CO 0.03 0.00 0.00 0.44 -2.00 0.00 0.00 179.45 177.92 2ida n ILE 27 N -2.42 0.66 -3.21 0.07 -5.35 -0.96 -5.01 119.36 103.14 2ida n ILE 27 Ca 0.04 -0.83 -0.15 0.00 -0.27 0.00 0.00 62.75 61.55 2ida n ILE 27 Cb 0.37 0.70 0.08 0.00 -1.74 0.00 0.00 39.64 39.05 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 0.01 -0.24 3.32 3.28 0.00 -0.51 -5.03 105.19 106.03 2ida n GLY 28 Ca 0.04 0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.10 2.83 0.08 1.61 0.01 0.67 -5.00 113.70 109.81 2ida s SER 29 Ca 0.03 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.59 2ida s SER 29 Cb -0.01 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.04 2ida s SER 29 CO 0.61 0.11 0.00 -0.81 0.41 0.00 0.00 173.24 173.57 2ida n PRO 30 N 1.09 1.10 -3.68 12.44 -0.04 -1.26 -4.20 135.00 140.45 2ida n PRO 30 Ca -0.19 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.17 2ida n PRO 30 Cb 0.53 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.96 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 0.11 -0.20 -0.04 0.54 -2.14 -1.26 -4.93 118.94 111.02 2ida s TRP 31 Ca 0.00 -0.12 -0.03 0.00 2.66 0.00 0.00 56.10 58.61 2ida s TRP 31 Cb 0.00 0.43 -0.01 0.00 -3.10 0.00 0.00 33.47 30.79 2ida s TRP 31 CO 0.00 -0.91 -0.06 0.28 -2.66 0.00 0.00 176.95 173.61 2ida n VAL 32 N -0.34 0.41 -4.08 -0.66 0.31 -1.26 -4.69 118.33 108.01 2ida n VAL 32 Ca -0.11 0.42 -0.13 0.00 -0.01 0.00 0.00 64.34 64.50 2ida n VAL 32 Cb 0.63 -1.75 -0.11 0.00 -0.91 0.00 0.00 33.84 31.69 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 -1.38 0.75 -0.01 3.52 0.09 -1.26 -4.78 115.29 112.22 2ida s HIS 33 Ca -0.05 -0.52 0.04 0.00 -0.00 0.00 0.00 55.06 54.53 2ida s HIS 33 Cb 0.01 -0.44 -0.03 0.00 -0.00 0.00 0.00 32.58 32.11 2ida s HIS 33 CO 0.07 -0.07 -0.11 -0.51 -0.00 0.00 0.00 174.74 174.12 2ida s LEU 34 N -1.70 2.94 -0.01 0.89 1.43 -1.26 -0.94 118.68 120.02 2ida s LEU 34 Ca -0.08 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 2ida s LEU 34 Cb -0.09 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.46 2ida s LEU 34 CO 0.00 0.30 -0.06 0.00 0.23 0.00 0.00 176.35 176.82 2ida s ARG 35 N -1.20 0.60 0.23 1.70 1.04 -0.83 -1.35 118.95 119.15 2ida s ARG 35 Ca 0.15 -0.21 0.01 0.00 -1.04 0.00 0.00 55.73 54.64 2ida s ARG 35 Cb -0.11 -0.59 -0.04 0.00 -2.04 0.00 0.00 34.95 32.17 2ida s ARG 35 CO 0.05 0.10 0.40 -1.50 -0.04 0.00 0.00 175.30 174.31 2ida s ILE 36 N 0.08 5.21 -0.32 4.99 2.07 0.26 -2.28 121.20 131.20 2ida s ILE 36 Ca -0.01 -0.56 -0.04 0.00 -1.41 0.00 0.00 60.65 58.64 2ida s ILE 36 Cb -0.05 -3.79 0.05 0.00 0.13 0.00 0.00 42.46 38.80 2ida s ILE 36 CO -0.00 -0.28 0.06 0.00 -1.91 0.00 0.00 174.94 172.81 2ida n ARG 38 N 4.69 0.46 -0.05 0.00 5.12 -1.23 -0.10 116.66 125.55 2ida n ARG 38 Ca -0.12 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.76 2ida n ARG 38 Cb 0.44 -1.07 -0.10 0.00 -1.16 0.00 0.00 32.46 30.57 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 -0.57 0.69 -0.75 0.55 -1.04 -1.26 -2.33 114.28 109.57 2ida n THR 39 Ca 0.01 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 2ida n THR 39 Cb 0.01 -0.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.04 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 0.00 0.82 3.78 0.00 0.00 0.85 -4.79 105.19 105.84 2ida n GLY 41 Ca 0.00 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.32 3.58 0.61 1.61 5.65 -1.25 -2.97 115.29 120.20 2ida s HIS 42 Ca 0.00 0.80 -0.01 0.00 0.25 0.00 0.00 55.06 56.11 2ida s HIS 42 Cb 0.00 -2.35 0.12 0.00 -1.18 0.00 0.00 32.58 29.18 2ida s HIS 42 CO 0.00 0.40 0.83 0.28 -0.65 0.00 0.00 174.74 175.60 2ida n VAL 43 N 2.86 0.00 0.00 0.89 0.31 -1.26 -1.58 118.33 119.55 2ida n VAL 43 Ca -0.12 -1.26 0.00 0.00 -0.01 0.00 0.00 64.34 62.95 2ida n VAL 43 Cb 0.52 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 2ida n VAL 43 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ida n GLY 44 N -1.31 2.12 3.75 2.92 0.00 -0.97 -4.85 105.19 106.85 2ida n GLY 44 Ca 0.13 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 2ida n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ida n ASP 47 N -4.89 0.00 0.25 0.00 5.75 -1.26 -1.59 116.55 114.81 2ida n ASP 47 Ca 0.06 -0.65 0.14 0.00 -0.01 0.00 0.00 54.79 54.33 2ida n ASP 47 Cb 0.56 -0.07 0.53 0.00 -1.03 0.00 0.00 41.12 41.11 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 -3.40 -1.12 5.19 -1.95 -3.43 116.42 111.71 2ida h ASP 48 Ca 0.00 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.86 2ida h ASP 48 Cb 0.06 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.53 2ida h ASP 48 CO 0.00 0.06 0.05 -0.55 -3.12 0.00 0.00 179.24 175.68 2ida s SER 49 N -5.92 7.12 0.17 6.45 0.15 -0.62 -4.93 113.70 116.13 2ida s SER 49 Ca 0.02 1.38 0.13 0.00 0.70 0.00 0.00 55.95 58.18 2ida s SER 49 Cb 0.08 -2.40 0.66 0.00 -1.71 0.00 0.00 66.02 62.65 2ida s SER 49 CO 0.59 0.18 1.38 -0.81 1.20 0.00 0.00 173.24 175.79 2ida n PRO 50 N 1.35 0.08 0.08 5.44 -0.04 -1.26 -1.36 135.00 139.29 2ida n PRO 50 Ca -0.07 0.55 -0.19 0.00 -0.04 0.00 0.00 63.50 63.76 2ida n PRO 50 Cb 0.50 -1.75 -0.15 0.00 -0.04 0.00 0.00 33.50 32.07 2ida n PRO 50 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2ida h HIS 51 N 0.00 0.58 -6.39 0.54 2.76 -1.92 -3.49 115.15 107.23 2ida h HIS 51 Ca 0.00 -0.42 -0.47 0.00 -2.20 0.00 0.00 60.37 57.28 2ida h HIS 51 Cb 0.03 -0.02 0.02 0.00 1.55 0.00 0.00 27.41 28.98 2ida h HIS 51 CO 0.00 1.47 -0.92 1.63 -1.30 0.00 0.00 177.93 178.81 2ida n LYS 52 N -3.52 -2.20 0.19 5.26 5.02 -0.47 -4.87 118.16 117.57 2ida n LYS 52 Ca -0.18 0.41 0.13 0.00 -2.02 0.00 0.00 58.31 56.65 2ida n LYS 52 Cb 1.06 -4.22 0.32 0.00 -0.02 0.00 0.00 35.03 32.16 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 -1.92 0.00 -0.11 2.13 2.76 -1.71 -3.06 115.15 113.24 2ida h HIS 53 Ca -0.65 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 57.49 2ida h HIS 53 Cb 1.37 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.33 2ida h HIS 53 CO 0.41 0.00 -0.04 0.00 -1.30 0.00 0.00 177.93 177.00 2ida h ALA 54 N 2.17 0.15 -0.20 5.26 0.00 -1.21 -2.21 119.26 123.22 2ida h ALA 54 Ca 0.00 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 2ida h ALA 54 Cb 0.83 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2ida h ALA 54 CO 0.00 -0.08 -0.46 1.79 0.00 0.00 0.00 179.25 180.50 2ida h THR 55 N -0.12 1.32 -0.51 0.00 1.35 -1.82 -2.78 112.91 110.35 2ida h THR 55 Ca 0.03 -1.68 0.00 0.00 -0.55 0.00 0.00 66.41 64.20 2ida h THR 55 Cb 0.48 1.86 -0.03 0.00 -1.73 0.00 0.00 68.15 68.74 2ida h THR 55 CO 0.01 0.53 0.32 0.03 -0.25 0.00 0.00 175.52 176.16 2ida h ARG 56 N 0.37 0.67 -0.32 4.72 3.08 -1.60 -0.29 114.38 121.01 2ida h ARG 56 Ca 0.00 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 2ida h ARG 56 Cb 1.06 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 2ida h ARG 56 CO 0.10 0.46 0.09 1.25 -1.07 0.00 0.00 179.97 180.80 2ida h HIS 57 N 0.69 0.53 -0.46 3.04 2.76 -1.25 -0.32 115.15 120.14 2ida h HIS 57 Ca 0.18 -0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 2ida h HIS 57 Cb -0.05 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.73 2ida h HIS 57 CO 0.00 0.55 0.24 0.35 -1.30 0.00 0.00 177.93 177.77 2ida h PHE 58 N 0.37 0.65 0.00 5.26 3.57 -1.11 0.12 116.94 125.79 2ida h PHE 58 Ca 0.10 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 2ida h PHE 58 Cb 0.28 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 2ida h PHE 58 CO 0.01 0.51 -0.19 1.25 -2.23 0.00 0.00 178.31 177.67 2ida h HIS 59 N 0.61 0.00 0.00 0.41 2.76 -0.91 0.14 115.15 118.15 2ida h HIS 59 Ca 0.16 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.25 2ida h HIS 59 Cb 0.09 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 2ida h HIS 59 CO -0.01 0.19 -0.53 0.00 -1.30 0.00 0.00 177.93 176.27 2ida h ALA 60 N 1.81 0.09 0.02 5.26 0.00 -0.53 -3.41 119.26 122.50 2ida h ALA 60 Ca -0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 54.91 53.95 2ida h ALA 60 Cb 0.34 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2ida h ALA 60 CO 0.02 0.34 -1.75 0.25 0.00 0.00 0.00 179.25 178.12 2ida n THR 61 N -4.58 1.64 -1.84 0.00 -2.24 0.35 -5.00 114.28 102.61 2ida n THR 61 Ca -0.15 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.86 2ida n THR 61 Cb 0.42 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.49 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 1.62 0.55 3.08 3.38 0.00 0.48 -5.05 105.19 109.25 2ida n GLY 62 Ca -0.19 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.78 3.49 -2.03 1.61 3.76 -1.25 -4.98 115.29 113.12 2ida s HIS 63 Ca 0.00 -2.70 0.16 0.00 -0.15 0.00 0.00 55.06 52.37 2ida s HIS 63 Cb 0.00 -3.13 0.90 0.00 1.11 0.00 0.00 32.58 31.46 2ida s HIS 63 CO 0.00 -0.89 1.58 -0.35 -0.85 0.00 0.00 174.74 174.23 2ida n PRO 64 N 3.95 1.09 -4.77 8.40 -0.04 -1.26 -4.68 135.00 137.69 2ida n PRO 64 Ca 0.03 -0.14 -0.27 0.00 -0.04 0.00 0.00 63.50 63.09 2ida n PRO 64 Cb 0.39 -1.26 -0.17 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.97 1.40 0.34 0.52 1.01 -1.26 0.38 121.20 121.62 2ida s ILE 65 Ca 0.24 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.29 2ida s ILE 65 Cb 0.11 -1.25 -0.05 0.00 0.01 0.00 0.00 42.46 41.28 2ida s ILE 65 CO 0.19 0.41 0.08 0.27 0.00 0.00 0.00 174.94 175.89 2ida s ILE 66 N 0.57 0.96 0.03 2.92 -4.36 0.15 -3.48 121.20 117.98 2ida s ILE 66 Ca -0.16 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.24 2ida s ILE 66 Cb -0.16 -2.65 -0.02 0.00 1.25 0.00 0.00 42.46 40.87 2ida s ILE 66 CO 0.05 0.00 -0.05 -0.70 0.24 0.00 0.00 174.94 174.48 2ida s GLU 67 N -3.86 0.38 -0.50 0.37 2.12 0.14 -0.13 118.70 117.22 2ida s GLU 67 Ca 0.33 -0.58 -0.27 0.00 0.36 0.00 0.00 54.97 54.81 2ida s GLU 67 Cb 0.07 -0.11 -0.03 0.00 0.26 0.00 0.00 34.13 34.32 2ida s GLU 67 CO 0.15 0.01 1.94 0.20 -0.54 0.00 0.00 175.26 177.02 2ida s GLY 68 N -1.26 0.27 -0.12 -1.50 0.00 -0.21 -0.57 107.32 103.92 2ida s GLY 68 Ca -0.11 -0.26 -0.14 0.00 0.00 0.00 0.00 44.72 44.22 2ida s GLY 68 CO -0.00 3.50 0.46 -1.82 0.00 0.00 0.00 173.10 175.24 2ida h TYR 69 N 15.13 0.40 0.05 1.90 5.03 -1.76 -3.40 116.97 134.31 2ida h TYR 69 Ca -0.28 -0.29 -0.00 0.00 2.58 0.00 0.00 58.73 60.73 2ida h TYR 69 Cb 1.18 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.45 2ida h TYR 69 CO 1.00 1.61 -0.02 0.22 -1.32 0.00 0.00 178.16 179.65 2ida h ASP 70 N -0.29 -0.05 -3.32 -2.11 3.58 -1.53 -3.42 116.42 109.28 2ida h ASP 70 Ca -0.34 -0.58 -0.57 0.00 0.42 0.00 0.00 57.03 55.96 2ida h ASP 70 Cb 1.78 0.01 -0.09 0.00 1.72 0.00 0.00 39.33 42.76 2ida h ASP 70 CO 0.03 0.68 0.86 -2.84 -2.88 0.00 0.00 179.24 175.08 2ida s PRO 71 N -2.61 3.51 0.00 0.28 0.02 -1.26 -4.91 135.00 130.03 2ida s PRO 71 Ca -0.13 0.19 0.00 0.00 0.02 0.00 0.00 61.00 61.08 2ida s PRO 71 Cb -0.01 -4.00 0.00 0.00 0.02 0.00 0.00 34.50 30.51 2ida s PRO 71 CO 0.49 -1.56 1.64 -2.30 -0.33 0.00 0.00 177.00 174.94 2ida n PRO 72 N 8.05 0.94 0.03 5.54 -0.02 -1.26 -3.94 135.00 144.34 2ida n PRO 72 Ca 0.08 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.68 2ida n PRO 72 Cb 0.49 -1.03 0.39 0.00 -0.02 0.00 0.00 33.50 33.33 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 1.26 0.11 -2.12 -0.52 1.02 -1.26 -4.98 120.64 114.15 2ida n GLU 73 Ca 0.00 0.06 -0.02 0.00 -0.02 0.00 0.00 57.16 57.18 2ida n GLU 73 Cb 0.47 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 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 1.43 -0.87 3.03 0.62 0.00 -1.25 -4.51 105.19 103.63 2ida n GLY 74 Ca 0.06 0.34 -0.10 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.17 0.14 -0.08 1.61 1.48 -1.26 -0.38 118.94 118.28 2ida s TRP 75 Ca 0.07 -0.30 0.05 0.00 -1.06 0.00 0.00 56.10 54.86 2ida s TRP 75 Cb -0.02 -0.11 -0.01 0.00 -1.16 0.00 0.00 33.47 32.17 2ida s TRP 75 CO 0.33 -0.21 -0.23 0.20 -4.06 0.00 0.00 176.95 172.97 2ida s GLY 76 N -1.27 1.34 -0.19 3.67 0.00 0.33 -1.05 107.32 110.14 2ida s GLY 76 Ca -0.14 -1.00 -0.05 0.00 0.00 0.00 0.00 44.72 43.53 2ida s GLY 76 CO 0.00 -0.49 -0.01 0.86 0.00 0.00 0.00 173.10 173.46 2ida s TRP 77 N 0.06 3.03 -0.42 1.90 -0.11 0.82 -0.85 118.94 123.37 2ida s TRP 77 Ca -0.10 -0.45 -0.11 0.00 1.22 0.00 0.00 56.10 56.66 2ida s TRP 77 Cb -0.16 -2.06 0.07 0.00 -1.50 0.00 0.00 33.47 29.82 2ida s TRP 77 CO 0.06 -0.22 0.27 0.00 -4.62 0.00 0.00 176.95 172.45 2ida h TYR 79 N 8.47 -0.95 0.00 0.00 0.05 -0.41 0.78 116.97 124.92 2ida h TYR 79 Ca -0.24 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.58 2ida h TYR 79 Cb 1.09 0.44 0.00 0.00 1.01 0.00 0.00 36.73 39.27 2ida h TYR 79 CO 0.61 -0.42 0.00 -0.39 -1.05 0.00 0.00 178.16 176.91 2ida h VAL 80 N -0.41 0.00 0.02 -2.88 -1.51 -1.95 -2.75 116.25 106.77 2ida h VAL 80 Ca 0.09 -0.31 -0.37 0.00 -1.23 0.00 0.00 66.70 64.89 2ida h VAL 80 Cb 0.56 1.29 -0.06 0.00 -2.13 0.00 0.00 31.29 30.95 2ida h VAL 80 CO -0.37 0.00 -2.27 0.47 -1.23 0.00 0.00 177.57 174.17 2ida n ASP 81 N -3.05 1.09 -1.87 4.19 9.92 -0.62 -4.99 116.55 121.23 2ida n ASP 81 Ca -0.01 0.04 -0.15 0.00 -0.53 0.00 0.00 54.79 54.14 2ida n ASP 81 Cb 0.21 0.12 0.01 0.00 -0.64 0.00 0.00 41.12 40.81 2ida n ASP 81 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2ida n GLU 82 N -3.06 -2.06 -5.13 -1.24 1.02 0.26 -5.03 120.64 105.40 2ida n GLU 82 Ca -0.35 0.68 -0.31 0.00 -0.02 0.00 0.00 57.16 57.16 2ida n GLU 82 Cb 1.07 -4.98 -0.15 0.00 -0.02 0.00 0.00 31.44 27.36 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 -2.83 2.35 -0.30 2.62 -7.23 -1.23 -4.97 120.40 108.81 2ida s VAL 83 Ca 0.08 -1.05 -0.07 0.00 -1.81 0.00 0.00 61.98 59.13 2ida s VAL 83 Cb -0.04 -1.86 0.00 0.00 0.56 0.00 0.00 36.38 35.04 2ida s VAL 83 CO 0.10 0.55 0.09 -0.32 -0.31 0.00 0.00 175.10 175.22 2ida s MET 84 N -0.75 3.18 0.39 4.82 1.75 -1.26 -1.99 119.30 125.44 2ida s MET 84 Ca 0.11 -0.80 0.08 0.00 -1.25 0.00 0.00 55.69 53.82 2ida s MET 84 Cb -0.10 -3.41 -0.03 0.00 2.84 0.00 0.00 34.83 34.13 2ida s MET 84 CO 0.00 -0.42 0.29 -0.59 -0.65 0.00 0.00 175.02 173.65 2ida s PHE 85 N 1.53 2.71 0.02 4.11 -0.12 -0.03 -0.55 117.98 125.66 2ida s PHE 85 Ca 0.03 -0.47 -0.27 0.00 -0.05 0.00 0.00 56.93 56.17 2ida s PHE 85 Cb -0.17 -2.00 -0.04 0.00 -0.63 0.00 0.00 43.02 40.17 2ida s PHE 85 CO 0.03 0.05 0.84 0.34 -0.05 0.00 0.00 175.22 176.43 2ida s ASP 86 N -4.02 7.25 -0.02 1.98 2.15 -1.26 -0.52 116.67 122.23 2ida s ASP 86 Ca 0.44 1.50 0.04 0.00 0.43 0.00 0.00 52.55 54.96 2ida s ASP 86 Cb -0.02 -2.50 0.05 0.00 -0.30 0.00 0.00 42.92 40.15 2ida s ASP 86 CO 0.26 -0.10 0.98 0.18 -0.17 0.00 0.00 175.17 176.31 2ida n LEU 87 N 3.32 0.50 -0.32 -1.34 4.77 0.49 -4.78 117.00 119.64 2ida n LEU 87 Ca 0.01 -1.32 0.08 0.00 -0.03 0.00 0.00 56.01 54.75 2ida n LEU 87 Cb 0.50 -0.08 0.24 0.00 -2.33 0.00 0.00 43.42 41.75 2ida n LEU 87 CO 0.49 0.32 1.15 -1.28 -1.33 0.00 0.00 177.39 176.73 2ida h SER 88 N 0.00 0.66 1.27 -1.43 0.87 -1.62 0.44 113.55 113.75 2ida h SER 88 Ca 0.00 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2ida h SER 88 Cb 1.26 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2ida h SER 88 CO 0.00 0.30 -0.16 0.47 -0.53 0.00 0.00 176.83 176.91 2ida n ASP 89 N -4.79 0.72 -0.10 6.23 9.92 -1.26 -3.89 116.55 123.38 2ida n ASP 89 Ca 0.18 0.44 0.02 0.00 -0.53 0.00 0.00 54.79 54.91 2ida n ASP 89 Cb 0.42 -0.52 0.03 0.00 -0.64 0.00 0.00 41.12 40.42 2ida n ASP 89 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2ida n ARG 90 N -2.15 1.38 -1.53 -1.24 1.74 -0.01 -5.07 116.66 109.78 2ida n ARG 90 Ca 0.05 -1.45 -0.30 0.00 -0.77 0.00 0.00 57.85 55.38 2ida n ARG 90 Cb 0.42 -0.93 0.08 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 -1.07 2.33 -0.17 5.56 0.23 0.14 -5.00 119.30 121.32 2ida s MET 91 Ca 0.08 0.77 -0.24 0.00 -1.03 0.00 0.00 55.69 55.27 2ida s MET 91 Cb 0.07 -1.94 -0.02 0.00 -1.53 0.00 0.00 34.83 31.42 2ida s MET 91 CO 0.01 -1.48 0.78 0.99 -2.03 0.00 0.00 175.02 173.28 2ida s THR 92 N -3.10 4.92 0.15 3.16 2.01 -1.26 -5.03 115.64 116.49 2ida s THR 92 Ca 0.60 1.52 -0.31 0.00 0.31 0.00 0.00 61.69 63.81 2ida s THR 92 Cb -0.15 -4.09 -0.08 0.00 0.01 0.00 0.00 72.50 68.20 2ida s THR 92 CO 0.55 0.06 1.36 -2.16 -0.69 0.00 0.00 174.62 173.74 2ida s PRO 93 N 2.00 4.34 0.01 4.92 0.04 -1.26 -4.99 135.00 140.07 2ida s PRO 93 Ca 0.36 2.07 -0.30 0.00 0.04 0.00 0.00 61.00 63.17 2ida s PRO 93 Cb -0.16 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 2ida s PRO 93 CO 0.12 -0.37 1.17 -3.38 0.04 0.00 0.00 177.00 174.58 2ida s HIS 94 N 0.71 3.39 -0.94 0.56 -3.43 -1.26 -4.87 115.29 109.43 2ida s HIS 94 Ca 0.61 1.33 0.11 0.00 -0.80 0.00 0.00 55.06 56.31 2ida s HIS 94 Cb -0.37 -3.38 0.52 0.00 -1.43 0.00 0.00 32.58 27.92 2ida s HIS 94 CO 0.34 -1.11 1.35 0.27 -2.00 0.00 0.00 174.74 173.58 2ida n ASN 95 N 4.34 3.73 -3.54 7.38 0.23 -1.26 -4.90 115.26 121.23 2ida n ASN 95 Ca 0.09 -2.44 -0.07 0.00 -0.53 0.00 0.00 54.58 51.64 2ida n ASN 95 Cb 0.47 -0.54 -0.02 0.00 -2.08 0.00 0.00 39.78 37.61 2ida n ASN 95 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2ida s GLY 96 N -0.66 -0.39 0.54 4.83 0.00 -1.26 -5.10 107.32 105.27 2ida s GLY 96 Ca 0.36 1.24 -0.16 0.00 0.00 0.00 0.00 44.72 46.16 2ida s GLY 96 CO 0.14 0.41 1.00 2.56 0.00 0.00 0.00 173.10 177.22 2ida s PRO 97 N -2.83 3.80 -0.16 2.90 0.04 -1.26 -4.99 135.00 132.50 2ida s PRO 97 Ca 0.07 0.98 0.01 0.00 0.04 0.00 0.00 61.00 62.10 2ida s PRO 97 Cb -0.01 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.43 2ida s PRO 97 CO -0.07 -0.40 -0.18 0.42 0.04 0.00 0.00 177.00 176.81 2ida s ILE 98 N -2.65 2.34 0.21 0.56 1.01 -1.26 -4.83 121.20 116.58 2ida s ILE 98 Ca 0.59 -0.87 -0.32 0.00 0.00 0.00 0.00 60.65 60.05 2ida s ILE 98 Cb -0.11 -1.97 -0.13 0.00 0.01 0.00 0.00 42.46 40.26 2ida s ILE 98 CO 0.34 0.53 1.60 -2.65 0.00 0.00 0.00 174.94 174.76 2ida n PRO 99 N 4.23 2.43 -2.80 2.79 -0.02 -1.26 -4.92 135.00 135.45 2ida n PRO 99 Ca -0.20 0.87 -0.43 0.00 -2.02 0.00 0.00 63.50 61.73 2ida n PRO 99 Cb 0.51 -2.65 -0.04 0.00 -0.02 0.00 0.00 33.50 31.30 2ida n PRO 99 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2ida s ARG 100 N 0.54 3.29 0.00 -0.52 6.06 -1.26 -4.81 118.95 122.25 2ida s ARG 100 Ca 0.73 -0.34 0.18 0.00 -2.50 0.00 0.00 55.73 53.80 2ida s ARG 100 Cb -0.59 -4.10 -0.20 0.00 0.06 0.00 0.00 34.95 30.13 2ida s ARG 100 CO 0.40 -1.61 0.78 0.66 -2.50 0.00 0.00 175.30 173.03 2ida n TYR 101 N 7.72 0.00 -0.82 5.12 4.01 -1.26 -5.18 117.16 126.75 2ida n TYR 101 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2ida n TYR 101 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 2ida n TYR 101 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73