#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ida s THR 2 N 0.00 0.03 0.16 3.17 2.01 -1.25 -4.98 115.64 114.78 2ida s THR 2 Ca 0.00 -0.26 -0.31 0.00 0.31 0.00 0.00 61.69 61.43 2ida s THR 2 Cb 0.00 -0.53 -0.10 0.00 0.01 0.00 0.00 72.50 71.88 2ida s THR 2 CO 0.00 -0.14 1.53 -0.32 -0.69 0.00 0.00 174.62 175.00 2ida s MET 3 N -0.61 4.24 0.07 4.92 1.75 -1.26 -3.39 119.30 125.02 2ida s MET 3 Ca -0.07 2.30 -0.30 0.00 -1.25 0.00 0.00 55.69 56.36 2ida s MET 3 Cb -0.04 -3.17 -0.09 0.00 2.84 0.00 0.00 34.83 34.37 2ida s MET 3 CO 0.02 -0.56 1.86 0.20 -0.65 0.00 0.00 175.02 175.89 2ida s GLY 4 N 1.11 1.42 0.96 2.11 0.00 -1.26 -4.87 107.32 106.79 2ida s GLY 4 Ca 0.69 1.34 -0.12 0.00 0.00 0.00 0.00 44.72 46.62 2ida s GLY 4 CO 0.31 3.25 1.10 0.00 0.00 0.00 0.00 173.10 177.77 2ida h ARG 6 N -1.74 0.00 0.00 0.00 0.11 -2.02 0.25 114.38 110.97 2ida h ARG 6 Ca -0.53 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.53 2ida h ARG 6 Cb 1.32 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.40 2ida h ARG 6 CO 0.59 0.00 -0.09 0.45 0.10 0.00 0.00 179.97 181.02 2ida h HIS 7 N 0.00 0.00 0.00 4.08 3.86 -2.00 -2.41 115.15 118.68 2ida h HIS 7 Ca 0.07 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.23 2ida h HIS 7 Cb 0.37 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 2ida h HIS 7 CO 0.00 0.09 -0.21 -0.24 0.86 0.00 0.00 177.93 178.42 2ida h VAL 8 N 0.00 0.89 0.00 2.45 3.04 -0.82 0.56 116.25 122.37 2ida h VAL 8 Ca -0.00 -0.81 0.00 0.00 -1.01 0.00 0.00 66.70 64.88 2ida h VAL 8 Cb 0.21 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.97 2ida h VAL 8 CO 0.01 0.21 0.00 0.00 -1.01 0.00 0.00 177.57 176.78 2ida n ALA 9 N -2.38 2.37 0.71 3.17 0.00 -0.91 -3.04 120.51 120.44 2ida n ALA 9 Ca -0.02 -0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.36 2ida n ALA 9 Cb 0.30 -1.43 0.02 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 0.85 0.03 3.87 0.00 0.00 0.18 -4.97 105.19 105.15 2ida n GLY 10 Ca 0.15 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.77 4.81 0.38 -0.61 -4.36 -1.17 -5.01 121.20 113.47 2ida s ILE 11 Ca 0.15 0.65 0.08 0.00 -0.26 0.00 0.00 60.65 61.27 2ida s ILE 11 Cb 0.13 -3.65 -0.07 0.00 1.25 0.00 0.00 42.46 40.13 2ida s ILE 11 CO 0.36 -0.23 0.01 0.00 0.24 0.00 0.00 174.94 175.32 2ida s ARG 12 N -3.16 2.00 -0.75 0.37 1.70 -1.14 -5.06 118.95 112.90 2ida s ARG 12 Ca 0.50 -1.93 -0.27 0.00 -0.47 0.00 0.00 55.73 53.57 2ida s ARG 12 Cb -0.11 -1.79 0.03 0.00 -0.57 0.00 0.00 34.95 32.52 2ida s ARG 12 CO 0.23 0.03 1.28 0.99 -1.08 0.00 0.00 175.30 176.74 2ida s THR 13 N -2.62 3.76 0.44 4.99 2.01 -1.26 -4.75 115.64 118.22 2ida s THR 13 Ca 0.35 0.31 0.03 0.00 0.31 0.00 0.00 61.69 62.69 2ida s THR 13 Cb 0.05 -4.92 0.01 0.00 0.01 0.00 0.00 72.50 67.65 2ida s THR 13 CO 0.19 -1.85 0.63 0.68 -0.69 0.00 0.00 174.62 173.59 2ida s VAL 14 N 5.62 3.55 -0.13 3.82 -7.23 -1.26 -5.11 120.40 119.66 2ida s VAL 14 Ca 0.35 -0.73 -0.00 0.00 -1.81 0.00 0.00 61.98 59.79 2ida s VAL 14 Cb -0.08 -3.28 -0.01 0.00 0.56 0.00 0.00 36.38 33.57 2ida s VAL 14 CO 0.13 -0.16 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.74 2ida s THR 15 N -2.49 3.00 0.19 5.32 2.01 -1.26 -4.85 115.64 117.57 2ida s THR 15 Ca 0.51 -0.68 -0.33 0.00 0.31 0.00 0.00 61.69 61.50 2ida s THR 15 Cb -0.10 -2.26 -0.14 0.00 0.01 0.00 0.00 72.50 70.02 2ida s THR 15 CO 0.36 0.52 1.53 -2.65 -0.69 0.00 0.00 174.62 173.69 2ida n PRO 16 N 3.57 2.15 -0.31 4.92 -0.02 -1.26 -4.69 135.00 139.37 2ida n PRO 16 Ca -0.18 0.77 -0.05 0.00 -2.02 0.00 0.00 63.50 62.02 2ida n PRO 16 Cb 0.53 -2.51 0.07 0.00 -0.02 0.00 0.00 33.50 31.57 2ida n PRO 16 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2ida h SER 17 N 5.32 1.06 -3.30 2.55 0.02 -1.83 -3.47 113.55 113.90 2ida h SER 17 Ca -0.45 -0.11 -0.14 0.00 -0.84 0.00 0.00 61.79 60.25 2ida h SER 17 Cb 1.26 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 2ida h SER 17 CO 0.84 0.87 0.07 0.00 -1.14 0.00 0.00 176.83 177.47 2ida n ALA 18 N -2.39 -1.02 -0.03 3.77 0.00 -1.26 -5.05 120.51 114.53 2ida n ALA 18 Ca 0.08 -1.34 -0.16 0.00 0.00 0.00 0.00 53.44 52.03 2ida n ALA 18 Cb 0.11 1.07 -0.13 0.00 0.00 0.00 0.00 19.45 20.50 2ida n ALA 18 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2ida h LEU 19 N 0.00 0.18 0.00 0.00 4.07 -1.95 -3.47 115.31 114.14 2ida h LEU 19 Ca -0.28 -0.91 0.00 0.00 0.08 0.00 0.00 57.88 56.76 2ida h LEU 19 Cb 1.13 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.81 2ida h LEU 19 CO 0.37 1.07 0.00 0.61 -1.08 0.00 0.00 178.44 179.41 2ida n GLY 20 N 1.43 4.32 3.57 0.83 0.00 -1.26 -4.86 105.19 109.22 2ida n GLY 20 Ca -0.11 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.39 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 10.17 0.46 0.13 0.00 4.22 -1.96 -1.64 114.58 125.97 2ida h GLU 22 Ca -0.26 -0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.17 2ida h GLU 22 Cb 1.07 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 2ida h GLU 22 CO 1.21 0.31 -0.41 1.49 -2.18 0.00 0.00 179.01 179.42 2ida h GLU 23 N 0.48 -0.63 0.00 1.92 4.81 -1.91 -2.65 114.58 116.60 2ida h GLU 23 Ca 0.50 0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.68 2ida h GLU 23 Cb 0.84 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 2ida h GLU 23 CO -0.45 -0.42 -0.43 0.00 -0.73 0.00 0.00 179.01 176.98 2ida h LEU 25 N 0.00 0.00 -1.43 0.00 3.38 -0.96 0.11 115.31 116.40 2ida h LEU 25 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2ida h LEU 25 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2ida h LEU 25 CO 0.06 0.00 -0.17 0.07 0.09 0.00 0.00 178.44 178.48 2ida h LYS 26 N 0.00 0.00 -0.01 1.13 2.10 -1.34 -2.88 116.57 115.57 2ida h LYS 26 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 2ida h LYS 26 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 2ida h LYS 26 CO -0.00 0.17 0.00 0.44 -2.00 0.00 0.00 179.45 178.06 2ida n ILE 27 N -3.44 0.24 -2.93 0.07 -5.35 -0.87 -5.01 119.36 102.08 2ida n ILE 27 Ca -0.01 -0.62 -0.11 0.00 -0.27 0.00 0.00 62.75 61.74 2ida n ILE 27 Cb 0.35 0.90 0.05 0.00 -1.74 0.00 0.00 39.64 39.20 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 -0.04 0.01 3.65 3.28 0.00 -0.26 -5.01 105.19 106.82 2ida n GLY 28 Ca 0.01 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.60 6.32 0.11 1.61 0.15 0.21 -5.00 113.70 113.50 2ida s SER 29 Ca 0.11 0.37 -0.31 0.00 0.70 0.00 0.00 55.95 56.82 2ida s SER 29 Cb -0.05 -2.20 -0.08 0.00 -1.71 0.00 0.00 66.02 61.98 2ida s SER 29 CO 0.42 -0.08 1.39 -2.84 1.20 0.00 0.00 173.24 173.33 2ida s PRO 30 N 1.50 4.32 0.36 5.44 0.02 -1.26 -4.53 135.00 140.85 2ida s PRO 30 Ca 0.16 2.07 0.01 0.00 0.02 0.00 0.00 61.00 63.26 2ida s PRO 30 Cb -0.15 -3.28 -0.02 0.00 0.02 0.00 0.00 34.50 31.07 2ida s PRO 30 CO 0.08 -0.45 0.56 1.67 -0.33 0.00 0.00 177.00 178.53 2ida s TRP 31 N 1.22 3.41 -0.19 6.54 -2.14 -1.26 -4.80 118.94 121.71 2ida s TRP 31 Ca 0.65 0.27 -0.11 0.00 2.66 0.00 0.00 56.10 59.56 2ida s TRP 31 Cb -0.36 -1.98 -0.08 0.00 -3.10 0.00 0.00 33.47 27.94 2ida s TRP 31 CO 0.30 0.02 -0.27 0.28 -2.66 0.00 0.00 176.95 174.62 2ida n VAL 32 N -1.82 1.22 -4.02 -0.66 0.31 -1.26 -4.71 118.33 107.39 2ida n VAL 32 Ca -0.03 -0.20 -0.11 0.00 -0.01 0.00 0.00 64.34 63.99 2ida n VAL 32 Cb 0.57 -1.87 -0.11 0.00 -0.91 0.00 0.00 33.84 31.52 2ida n VAL 32 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2ida s HIS 33 N -2.45 0.44 -0.04 3.52 3.76 -1.26 -4.77 115.29 114.49 2ida s HIS 33 Ca -0.28 -0.54 0.04 0.00 -0.15 0.00 0.00 55.06 54.13 2ida s HIS 33 Cb 0.10 -0.28 -0.00 0.00 1.11 0.00 0.00 32.58 33.50 2ida s HIS 33 CO 0.36 -0.15 -0.17 -0.51 -0.85 0.00 0.00 174.74 173.42 2ida s LEU 34 N -1.58 1.93 -0.01 0.89 1.43 -1.26 -0.84 118.68 119.24 2ida s LEU 34 Ca -0.12 -0.36 0.05 0.00 -1.03 0.00 0.00 54.13 52.67 2ida s LEU 34 Cb -0.09 -0.98 -0.01 0.00 0.03 0.00 0.00 46.19 45.13 2ida s LEU 34 CO -0.01 0.16 -0.17 -0.13 0.23 0.00 0.00 176.35 176.43 2ida s ARG 35 N 0.02 1.35 -0.23 1.70 3.00 0.64 -1.37 118.95 124.06 2ida s ARG 35 Ca -0.03 -0.60 -0.09 0.00 0.00 0.00 0.00 55.73 55.00 2ida s ARG 35 Cb -0.11 -1.31 -0.04 0.00 0.00 0.00 0.00 34.95 33.48 2ida s ARG 35 CO 0.02 0.36 0.11 -1.50 0.00 0.00 0.00 175.30 174.29 2ida s ILE 36 N -0.40 4.91 -0.41 1.52 2.07 0.82 -0.72 121.20 128.98 2ida s ILE 36 Ca 0.06 0.02 -0.29 0.00 -1.41 0.00 0.00 60.65 59.04 2ida s ILE 36 Cb -0.06 -3.27 0.00 0.00 0.13 0.00 0.00 42.46 39.26 2ida s ILE 36 CO -0.01 0.37 1.49 0.00 -1.91 0.00 0.00 174.94 174.88 2ida n ARG 38 N 8.19 0.46 -0.11 0.00 5.12 -1.12 -0.28 116.66 128.93 2ida n ARG 38 Ca 0.17 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.92 2ida n ARG 38 Cb 0.48 -1.41 -0.07 0.00 -1.16 0.00 0.00 32.46 30.30 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 -0.91 1.50 0.21 0.55 -1.04 -1.26 -2.90 114.28 110.43 2ida n THR 39 Ca 0.09 -0.05 0.07 0.00 -2.04 0.00 0.00 64.05 62.12 2ida n THR 39 Cb 0.04 -2.14 -0.10 0.00 -1.82 0.00 0.00 70.33 66.30 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 1.56 0.78 3.75 0.00 0.00 0.61 -4.82 105.19 107.07 2ida n GLY 41 Ca -0.01 -0.17 -0.38 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 -2.00 3.59 0.02 1.61 5.65 -1.24 -2.34 115.29 120.58 2ida s HIS 42 Ca 0.00 1.00 -0.16 0.00 0.25 0.00 0.00 55.06 56.14 2ida s HIS 42 Cb 0.00 -2.54 -0.06 0.00 -1.18 0.00 0.00 32.58 28.80 2ida s HIS 42 CO 0.00 0.28 0.46 0.08 -0.65 0.00 0.00 174.74 174.92 2ida s VAL 43 N 0.17 4.93 -0.01 0.89 1.01 -1.26 -0.88 120.40 125.25 2ida s VAL 43 Ca 0.27 0.97 -0.16 0.00 0.00 0.00 0.00 61.98 63.06 2ida s VAL 43 Cb -0.16 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.47 2ida s VAL 43 CO 0.13 0.57 0.35 -0.83 0.00 0.00 0.00 175.10 175.32 2ida s GLY 44 N -1.08 -0.19 0.47 4.51 0.00 0.10 -4.54 107.32 106.59 2ida s GLY 44 Ca 0.26 0.38 -0.21 0.00 0.00 0.00 0.00 44.72 45.14 2ida s GLY 44 CO 0.15 0.15 1.07 0.00 0.00 0.00 0.00 173.10 174.47 2ida h ASP 47 N -2.12 0.00 0.54 0.00 2.03 -1.91 -1.16 116.42 113.79 2ida h ASP 47 Ca -0.47 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.80 2ida h ASP 47 Cb 1.29 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.79 2ida h ASP 47 CO 0.42 0.02 -0.14 -0.78 -1.03 0.00 0.00 179.24 177.73 2ida h ASP 48 N 0.00 0.00 -3.64 4.15 3.58 -1.95 -3.42 116.42 115.14 2ida h ASP 48 Ca -0.00 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 56.94 2ida h ASP 48 Cb 0.51 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.54 2ida h ASP 48 CO 0.00 0.14 0.06 -0.44 -2.88 0.00 0.00 179.24 176.13 2ida s SER 49 N -6.12 6.80 0.00 2.28 0.01 -0.44 -4.92 113.70 111.30 2ida s SER 49 Ca -0.02 1.24 0.05 0.00 1.31 0.00 0.00 55.95 58.53 2ida s SER 49 Cb 0.12 -2.35 0.31 0.00 0.21 0.00 0.00 66.02 64.30 2ida s SER 49 CO 0.59 -0.14 0.68 -0.81 0.41 0.00 0.00 173.24 173.98 2ida n PRO 50 N -0.12 0.28 -0.04 12.44 -0.04 -1.26 -1.61 135.00 144.65 2ida n PRO 50 Ca 0.02 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.45 2ida n PRO 50 Cb 0.53 -1.29 -0.08 0.00 -0.04 0.00 0.00 33.50 32.62 2ida n PRO 50 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2ida n HIS 51 N -0.79 0.00 -4.06 0.54 8.25 -1.26 -5.01 115.22 112.89 2ida n HIS 51 Ca 0.04 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.18 2ida n HIS 51 Cb 0.02 -0.45 -0.00 0.00 1.12 0.00 0.00 29.99 30.68 2ida n HIS 51 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2ida n LYS 52 N -2.26 -4.13 0.26 -0.41 5.02 -0.63 -4.83 118.16 111.18 2ida n LYS 52 Ca -0.13 0.47 0.15 0.00 -2.02 0.00 0.00 58.31 56.77 2ida n LYS 52 Cb 0.70 -5.18 0.65 0.00 -0.02 0.00 0.00 35.03 31.18 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 -1.77 0.00 -0.00 2.13 2.76 -1.47 -1.19 115.15 115.60 2ida h HIS 53 Ca -0.59 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 57.49 2ida h HIS 53 Cb 1.38 0.00 0.01 0.00 1.55 0.00 0.00 27.41 30.35 2ida h HIS 53 CO 0.59 0.09 -0.36 0.00 -1.30 0.00 0.00 177.93 176.95 2ida h ALA 54 N 1.91 0.05 -0.11 5.26 0.00 -1.12 -2.91 119.26 122.33 2ida h ALA 54 Ca -0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 2ida h ALA 54 Cb 0.53 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2ida h ALA 54 CO 0.01 0.17 -0.30 1.79 0.00 0.00 0.00 179.25 180.92 2ida h THR 55 N -0.38 1.38 -0.99 0.00 1.35 -1.73 -2.73 112.91 109.81 2ida h THR 55 Ca -0.04 -1.60 0.13 0.00 -0.55 0.00 0.00 66.41 64.34 2ida h THR 55 Cb 1.10 2.12 -0.08 0.00 -1.73 0.00 0.00 68.15 69.55 2ida h THR 55 CO 0.07 0.47 0.62 0.03 -0.25 0.00 0.00 175.52 176.46 2ida h ARG 56 N -0.02 0.91 -0.56 4.72 3.08 -1.38 -1.84 114.38 119.29 2ida h ARG 56 Ca -0.00 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 2ida h ARG 56 Cb 0.91 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 2ida h ARG 56 CO 0.06 0.60 0.18 1.25 -1.07 0.00 0.00 179.97 181.00 2ida h HIS 57 N 0.94 0.89 -0.81 3.04 2.76 -1.38 -2.42 115.15 118.18 2ida h HIS 57 Ca 0.50 -0.08 0.01 0.00 -2.20 0.00 0.00 60.37 58.59 2ida h HIS 57 Cb 0.55 -0.26 -0.04 0.00 1.55 0.00 0.00 27.41 29.21 2ida h HIS 57 CO -0.00 0.74 0.53 0.35 -1.30 0.00 0.00 177.93 178.25 2ida h PHE 58 N 0.77 1.01 0.00 5.26 3.57 -1.04 0.51 116.94 127.02 2ida h PHE 58 Ca 0.18 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 2ida h PHE 58 Cb 0.26 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 2ida h PHE 58 CO 0.02 0.62 -0.19 1.25 -2.23 0.00 0.00 178.31 177.78 2ida h HIS 59 N 1.08 0.00 0.09 0.41 2.76 -1.12 0.31 115.15 118.68 2ida h HIS 59 Ca 0.30 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 58.20 2ida h HIS 59 Cb -0.10 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.85 2ida h HIS 59 CO -0.02 0.19 -1.44 0.00 -1.30 0.00 0.00 177.93 175.36 2ida h ALA 60 N 1.81 0.24 0.00 5.26 0.00 -0.85 -3.41 119.26 122.32 2ida h ALA 60 Ca -0.00 -1.15 -0.36 0.00 0.00 0.00 0.00 54.91 53.39 2ida h ALA 60 Cb 0.39 0.56 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 2ida h ALA 60 CO 0.02 0.86 -2.28 0.25 0.00 0.00 0.00 179.25 178.11 2ida n THR 61 N -3.98 1.46 -1.76 0.00 -2.24 0.09 -5.00 114.28 102.84 2ida n THR 61 Ca -0.27 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 2ida n THR 61 Cb 0.86 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 1.81 0.87 3.26 3.38 0.00 0.11 -5.04 105.19 109.58 2ida n GLY 62 Ca -0.32 -0.60 -0.44 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.42 3.38 -2.06 1.61 3.76 -1.25 -4.96 115.29 113.35 2ida s HIS 63 Ca 0.00 -1.65 0.12 0.00 -0.15 0.00 0.00 55.06 53.38 2ida s HIS 63 Cb 0.00 -3.66 0.54 0.00 1.11 0.00 0.00 32.58 30.57 2ida s HIS 63 CO 0.00 -1.00 1.38 -0.35 -0.85 0.00 0.00 174.74 173.91 2ida n PRO 64 N 4.93 1.33 -4.20 8.40 -0.04 -1.26 -4.62 135.00 139.53 2ida n PRO 64 Ca -0.08 -0.50 -0.25 0.00 -0.04 0.00 0.00 63.50 62.63 2ida n PRO 64 Cb 0.41 -1.22 -0.17 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.86 1.02 0.00 0.52 1.01 -1.26 -0.51 121.20 120.12 2ida s ILE 65 Ca 0.20 -0.35 0.06 0.00 0.00 0.00 0.00 60.65 60.56 2ida s ILE 65 Cb 0.10 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.56 2ida s ILE 65 CO 0.15 0.35 -0.18 0.27 0.00 0.00 0.00 174.94 175.53 2ida s ILE 66 N 1.22 1.42 -0.04 2.92 -4.36 -0.29 -2.78 121.20 119.30 2ida s ILE 66 Ca -0.04 -0.85 -0.02 0.00 -0.26 0.00 0.00 60.65 59.47 2ida s ILE 66 Cb -0.14 -1.20 -0.04 0.00 1.25 0.00 0.00 42.46 42.33 2ida s ILE 66 CO -0.03 0.33 0.10 -0.70 0.24 0.00 0.00 174.94 174.89 2ida s GLU 67 N -0.61 3.20 -0.46 0.37 2.12 0.13 0.53 118.70 123.97 2ida s GLU 67 Ca 0.07 -0.38 -0.27 0.00 0.36 0.00 0.00 54.97 54.74 2ida s GLU 67 Cb -0.07 -2.96 -0.03 0.00 0.26 0.00 0.00 34.13 31.33 2ida s GLU 67 CO -0.00 0.68 1.91 0.20 -0.54 0.00 0.00 175.26 177.51 2ida s GLY 68 N -1.54 0.40 -0.11 -1.50 0.00 0.03 -0.13 107.32 104.47 2ida s GLY 68 Ca 0.21 -0.12 0.12 0.00 0.00 0.00 0.00 44.72 44.93 2ida s GLY 68 CO 0.12 3.45 0.42 2.98 0.00 0.00 0.00 173.10 180.07 2ida n TYR 69 N 12.01 0.67 0.10 1.90 9.36 -0.47 -4.24 117.16 136.48 2ida n TYR 69 Ca 0.24 0.23 -0.15 0.00 3.32 0.00 0.00 57.90 61.54 2ida n TYR 69 Cb 0.50 -1.12 -0.12 0.00 -0.63 0.00 0.00 39.34 37.97 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 0.01 0.40 -3.47 2.98 2.03 -1.62 -3.42 116.42 113.33 2ida h ASP 70 Ca -0.39 -0.41 -0.72 0.00 -0.73 0.00 0.00 57.03 54.78 2ida h ASP 70 Cb 2.08 -0.13 -0.21 0.00 -0.83 0.00 0.00 39.33 40.25 2ida h ASP 70 CO 0.06 1.30 -0.35 -2.16 -1.03 0.00 0.00 179.24 177.06 2ida s PRO 71 N -2.76 3.01 0.00 4.15 0.04 -1.26 -4.96 135.00 133.21 2ida s PRO 71 Ca -0.04 -1.00 0.00 0.00 0.04 0.00 0.00 61.00 60.00 2ida s PRO 71 Cb 0.08 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.61 2ida s PRO 71 CO 0.88 -0.83 0.76 -2.30 0.04 0.00 0.00 177.00 175.55 2ida n PRO 72 N 5.31 0.54 0.08 0.56 -0.02 -1.26 -3.72 135.00 136.48 2ida n PRO 72 Ca -0.10 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.33 2ida n PRO 72 Cb 0.47 -1.23 -0.05 0.00 -0.02 0.00 0.00 33.50 32.66 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 1.54 0.00 -2.27 -0.52 5.08 -1.93 -3.49 114.58 112.99 2ida h GLU 73 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ida h GLU 73 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2ida h GLU 73 CO 0.00 0.87 0.00 0.41 -1.00 0.00 0.00 179.01 179.29 2ida n GLY 74 N 1.18 -0.25 3.29 -3.84 0.00 -1.24 -4.59 105.19 99.74 2ida n GLY 74 Ca 0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.40 -0.14 0.03 1.61 1.48 -1.26 -0.49 118.94 118.77 2ida s TRP 75 Ca 0.00 -0.13 0.04 0.00 -1.06 0.00 0.00 56.10 54.95 2ida s TRP 75 Cb 0.00 0.18 -0.02 0.00 -1.16 0.00 0.00 33.47 32.47 2ida s TRP 75 CO 0.00 -0.63 -0.12 0.20 -4.06 0.00 0.00 176.95 172.34 2ida s GLY 76 N -2.61 0.67 -0.14 3.67 0.00 0.72 -0.79 107.32 108.84 2ida s GLY 76 Ca 0.01 -0.72 -0.03 0.00 0.00 0.00 0.00 44.72 43.98 2ida s GLY 76 CO -0.09 -0.70 -0.04 0.86 0.00 0.00 0.00 173.10 173.13 2ida s TRP 77 N -0.79 3.02 -0.32 1.90 -0.11 0.19 -0.92 118.94 121.91 2ida s TRP 77 Ca 0.00 -0.22 -0.04 0.00 1.22 0.00 0.00 56.10 57.07 2ida s TRP 77 Cb -0.07 -1.90 0.04 0.00 -1.50 0.00 0.00 33.47 30.04 2ida s TRP 77 CO 0.01 0.06 0.05 0.00 -4.62 0.00 0.00 176.95 172.45 2ida h TYR 79 N 8.11 -1.50 0.00 0.00 0.05 -1.13 0.42 116.97 122.92 2ida h TYR 79 Ca -0.23 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.58 2ida h TYR 79 Cb 1.07 0.62 -0.00 0.00 1.01 0.00 0.00 36.73 39.44 2ida h TYR 79 CO 0.60 -0.62 -0.02 -0.39 -1.05 0.00 0.00 178.16 176.69 2ida h VAL 80 N -0.83 0.07 0.02 -2.88 -1.51 -1.96 -2.49 116.25 106.67 2ida h VAL 80 Ca -0.02 -0.39 -0.31 0.00 -1.23 0.00 0.00 66.70 64.74 2ida h VAL 80 Cb 0.79 1.37 -0.04 0.00 -2.13 0.00 0.00 31.29 31.27 2ida h VAL 80 CO -0.22 0.02 -1.79 0.47 -1.23 0.00 0.00 177.57 174.82 2ida n ASP 81 N -3.14 1.08 -0.94 4.19 9.92 -0.87 -4.97 116.55 121.83 2ida n ASP 81 Ca -0.01 0.36 -0.12 0.00 -0.53 0.00 0.00 54.79 54.50 2ida n ASP 81 Cb 0.24 -0.18 -0.05 0.00 -0.64 0.00 0.00 41.12 40.49 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 -3.12 -0.83 -4.50 -1.24 1.02 0.14 -5.00 120.64 107.12 2ida n GLU 82 Ca -0.20 0.89 -0.31 0.00 -0.02 0.00 0.00 57.16 57.51 2ida n GLU 82 Cb 1.05 -4.90 -0.11 0.00 -0.02 0.00 0.00 31.44 27.47 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 -2.45 3.20 -0.35 2.62 -7.23 -1.23 -4.98 120.40 109.97 2ida s VAL 83 Ca 0.00 -1.07 -0.06 0.00 -1.81 0.00 0.00 61.98 59.04 2ida s VAL 83 Cb 0.00 -2.40 0.06 0.00 0.56 0.00 0.00 36.38 34.60 2ida s VAL 83 CO 0.00 0.30 0.12 -0.32 -0.31 0.00 0.00 175.10 174.90 2ida s MET 84 N -1.61 2.51 0.38 4.82 1.75 -1.26 -2.12 119.30 123.77 2ida s MET 84 Ca 0.17 -1.32 0.07 0.00 -1.25 0.00 0.00 55.69 53.37 2ida s MET 84 Cb -0.11 -3.47 -0.01 0.00 2.84 0.00 0.00 34.83 34.08 2ida s MET 84 CO 0.08 -0.75 0.43 -0.59 -0.65 0.00 0.00 175.02 173.53 2ida s PHE 85 N 1.35 2.88 -0.03 4.11 -0.12 -0.10 -3.75 117.98 122.33 2ida s PHE 85 Ca -0.00 -0.35 -0.22 0.00 -0.05 0.00 0.00 56.93 56.30 2ida s PHE 85 Cb -0.20 -2.09 -0.05 0.00 -0.63 0.00 0.00 43.02 40.05 2ida s PHE 85 CO 0.01 -0.09 0.66 -0.51 -0.05 0.00 0.00 175.22 175.24 2ida s ASP 86 N -4.16 7.01 -0.12 1.98 1.11 -1.22 -0.20 116.67 121.06 2ida s ASP 86 Ca 0.47 1.20 0.15 0.00 0.18 0.00 0.00 52.55 54.56 2ida s ASP 86 Cb -0.07 -2.40 0.36 0.00 1.07 0.00 0.00 42.92 41.88 2ida s ASP 86 CO 0.30 -0.01 1.17 0.18 1.18 0.00 0.00 175.17 177.98 2ida n LEU 87 N 3.26 1.97 0.16 1.23 4.77 0.36 -4.79 117.00 123.95 2ida n LEU 87 Ca -0.04 -3.01 0.12 0.00 -0.03 0.00 0.00 56.01 53.06 2ida n LEU 87 Cb 0.51 -0.33 0.57 0.00 -2.33 0.00 0.00 43.42 41.84 2ida n LEU 87 CO 0.46 0.94 0.87 0.28 -1.33 0.00 0.00 177.39 178.61 2ida h SER 88 N 0.71 0.00 -0.01 -1.43 0.02 -1.65 0.29 113.55 111.47 2ida h SER 88 Ca -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2ida h SER 88 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2ida h SER 88 CO 0.02 0.00 -0.48 0.47 -1.14 0.00 0.00 176.83 175.70 2ida n ASP 89 N -2.33 1.58 0.00 3.07 8.00 -1.26 -4.47 116.55 121.14 2ida n ASP 89 Ca 0.01 -1.29 0.00 0.00 0.71 0.00 0.00 54.79 54.21 2ida n ASP 89 Cb 0.16 0.59 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 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 -0.37 0.88 -1.77 -1.24 1.74 -0.43 -5.10 116.66 110.38 2ida n ARG 90 Ca 0.07 -0.76 -0.39 0.00 -0.77 0.00 0.00 57.85 55.99 2ida n ARG 90 Cb 0.36 -0.68 0.03 0.00 -1.02 0.00 0.00 32.46 31.16 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 -0.31 3.31 0.15 5.56 0.23 0.89 -4.93 119.30 124.21 2ida s MET 91 Ca 0.00 2.32 -0.30 0.00 -1.03 0.00 0.00 55.69 56.68 2ida s MET 91 Cb 0.00 -2.40 -0.08 0.00 -1.53 0.00 0.00 34.83 30.83 2ida s MET 91 CO 0.00 -1.08 1.27 0.99 -2.03 0.00 0.00 175.02 174.17 2ida s THR 92 N -1.26 3.51 -0.11 3.16 2.01 -1.26 -4.97 115.64 116.72 2ida s THR 92 Ca 0.68 1.18 -0.29 0.00 0.31 0.00 0.00 61.69 63.57 2ida s THR 92 Cb -0.42 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.28 2ida s THR 92 CO 0.51 0.14 1.72 -2.84 -0.69 0.00 0.00 174.62 173.47 2ida s PRO 93 N 0.35 3.96 0.41 4.92 0.02 -1.26 -4.96 135.00 138.44 2ida s PRO 93 Ca 0.58 2.04 -0.26 0.00 0.02 0.00 0.00 61.00 63.38 2ida s PRO 93 Cb -0.34 -4.05 -0.09 0.00 0.02 0.00 0.00 34.50 30.03 2ida s PRO 93 CO 0.34 -1.12 1.42 -3.38 -0.33 0.00 0.00 177.00 173.93 2ida s HIS 94 N 4.84 2.59 -2.36 6.54 -3.43 -1.26 -4.79 115.29 117.42 2ida s HIS 94 Ca 0.77 1.27 0.27 0.00 -0.80 0.00 0.00 55.06 56.57 2ida s HIS 94 Cb -0.31 -3.90 0.95 0.00 -1.43 0.00 0.00 32.58 27.89 2ida s HIS 94 CO 0.31 -2.75 1.69 0.27 -2.00 0.00 0.00 174.74 172.26 2ida n ASN 95 N 0.12 1.45 0.00 7.38 6.94 -1.26 -4.98 115.26 124.91 2ida n ASN 95 Ca 0.03 -1.39 0.00 0.00 -0.02 0.00 0.00 54.58 53.21 2ida n ASN 95 Cb 0.41 0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.86 2ida n ASN 95 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2ida n GLY 96 N 1.22 -0.86 3.63 4.83 0.00 -1.26 -5.01 105.19 107.74 2ida n GLY 96 Ca 0.17 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.00 3.99 -0.07 1.61 0.02 -1.26 -5.02 135.00 132.27 2ida s PRO 97 Ca 0.00 1.16 -0.27 0.00 0.02 0.00 0.00 61.00 61.91 2ida s PRO 97 Cb 0.00 -3.81 -0.03 0.00 0.02 0.00 0.00 34.50 30.69 2ida s PRO 97 CO 0.00 -1.01 0.87 0.42 -0.33 0.00 0.00 177.00 176.95 2ida s ILE 98 N 4.00 4.91 -0.15 2.83 1.01 -1.26 -4.99 121.20 127.56 2ida s ILE 98 Ca 0.51 1.78 -0.29 0.00 0.00 0.00 0.00 60.65 62.64 2ida s ILE 98 Cb -0.14 -4.20 -0.07 0.00 0.01 0.00 0.00 42.46 38.06 2ida s ILE 98 CO 0.19 0.13 2.13 -2.65 0.00 0.00 0.00 174.94 174.75 2ida n PRO 99 N 4.33 2.18 -3.07 2.79 -0.02 -1.26 -4.93 135.00 135.01 2ida n PRO 99 Ca 0.04 0.68 -0.43 0.00 -2.02 0.00 0.00 63.50 61.77 2ida n PRO 99 Cb 0.50 -3.10 -0.06 0.00 -0.02 0.00 0.00 33.50 30.83 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 5.69 3.21 0.08 -0.52 6.06 -1.26 -4.87 118.95 127.33 2ida s ARG 100 Ca 0.98 -0.63 0.11 0.00 -2.50 0.00 0.00 55.73 53.69 2ida s ARG 100 Cb -0.41 -4.05 -0.18 0.00 0.06 0.00 0.00 34.95 30.36 2ida s ARG 100 CO 0.39 -1.23 1.05 1.88 -2.50 0.00 0.00 175.30 174.89 2ida h TYR 101 N 9.04 0.00 -0.01 5.12 0.05 -1.92 -3.54 116.97 125.70 2ida h TYR 101 Ca -0.27 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.51 2ida h TYR 101 Cb 1.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.83 2ida h TYR 101 CO 0.78 0.90 0.00 1.33 -1.05 0.00 0.00 178.16 180.13