#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 -3.56 3.17 5.66 0.93 -4.98 114.28 115.50 2ida n THR 2 Ca 0.00 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.79 2ida n THR 2 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 2ida n THR 2 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 175.07 171.98 2ida s MET 3 N -1.56 2.49 0.51 1.09 1.00 -1.26 -2.47 119.30 119.10 2ida s MET 3 Ca 0.00 -1.60 -0.21 0.00 0.00 0.00 0.00 55.69 53.88 2ida s MET 3 Cb 0.00 -2.37 -0.08 0.00 0.00 0.00 0.00 34.83 32.39 2ida s MET 3 CO 0.00 -0.29 0.98 0.41 0.00 0.00 0.00 175.02 176.12 2ida n GLY 4 N -1.63 -0.28 3.87 -0.03 0.00 -1.26 -4.74 105.19 101.12 2ida n GLY 4 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 2ida n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ida h ARG 6 N 0.99 0.08 0.00 0.00 -0.00 -2.04 0.35 114.38 113.76 2ida h ARG 6 Ca -0.40 -0.01 -0.02 0.00 -0.00 0.00 0.00 59.98 59.55 2ida h ARG 6 Cb 1.27 -0.02 -0.00 0.00 -0.00 0.00 0.00 29.97 31.22 2ida h ARG 6 CO 0.59 0.06 -0.11 0.45 -0.00 0.00 0.00 179.97 180.96 2ida h HIS 7 N 0.09 0.00 0.00 4.08 3.86 -2.02 -2.62 115.15 118.54 2ida h HIS 7 Ca 0.49 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.69 2ida h HIS 7 Cb 1.80 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.27 2ida h HIS 7 CO -0.00 0.11 -0.07 -0.24 0.86 0.00 0.00 177.93 178.59 2ida h VAL 8 N 0.00 0.98 0.00 2.45 3.04 -0.68 0.31 116.25 122.35 2ida h VAL 8 Ca -0.00 -0.25 -0.00 0.00 -1.01 0.00 0.00 66.70 65.44 2ida h VAL 8 Cb 0.36 1.13 -0.00 0.00 -2.01 0.00 0.00 31.29 30.77 2ida h VAL 8 CO 0.01 0.07 -0.02 0.00 -1.01 0.00 0.00 177.57 176.62 2ida h ALA 9 N 1.93 1.01 0.03 3.17 0.00 -1.61 -3.07 119.26 120.72 2ida h ALA 9 Ca -0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.59 2ida h ALA 9 Cb 0.13 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2ida h ALA 9 CO 0.01 0.03 -1.67 0.78 0.00 0.00 0.00 179.25 178.40 2ida h GLY 10 N 1.98 0.08 -1.88 0.00 0.00 -1.10 -3.47 103.07 98.69 2ida h GLY 10 Ca -0.00 -0.22 -0.48 0.00 0.00 0.00 0.00 47.33 46.64 2ida h GLY 10 CO 0.00 0.19 0.38 -0.26 0.00 0.00 0.00 176.54 176.85 2ida s ILE 11 N -2.60 3.95 0.45 2.60 -4.36 -1.01 -5.05 121.20 115.18 2ida s ILE 11 Ca -0.08 1.05 0.04 0.00 -0.26 0.00 0.00 60.65 61.40 2ida s ILE 11 Cb 0.08 -3.47 -0.05 0.00 1.25 0.00 0.00 42.46 40.27 2ida s ILE 11 CO 0.82 -0.42 0.02 0.00 0.24 0.00 0.00 174.94 175.59 2ida s ARG 12 N -3.70 2.05 -0.23 0.37 1.70 -1.16 -4.98 118.95 112.99 2ida s ARG 12 Ca 0.64 -2.24 -0.29 0.00 -0.47 0.00 0.00 55.73 53.37 2ida s ARG 12 Cb -0.15 -1.49 0.00 0.00 -0.57 0.00 0.00 34.95 32.75 2ida s ARG 12 CO 0.28 -0.22 1.12 0.95 -1.08 0.00 0.00 175.30 176.35 2ida s THR 13 N -2.85 4.51 0.19 4.99 -4.23 -1.26 -4.76 115.64 112.24 2ida s THR 13 Ca 0.21 1.81 0.06 0.00 -1.18 0.00 0.00 61.69 62.60 2ida s THR 13 Cb 0.06 -4.23 -0.04 0.00 1.34 0.00 0.00 72.50 69.62 2ida s THR 13 CO 0.11 -0.23 0.10 0.68 -0.54 0.00 0.00 174.62 174.73 2ida s VAL 14 N 3.42 4.16 -0.19 2.29 -7.23 -1.26 -5.08 120.40 116.51 2ida s VAL 14 Ca 0.48 -1.32 -0.14 0.00 -1.81 0.00 0.00 61.98 59.19 2ida s VAL 14 Cb -0.16 -3.15 -0.04 0.00 0.56 0.00 0.00 36.38 33.58 2ida s VAL 14 CO 0.11 -0.18 0.31 -0.89 -0.31 0.00 0.00 175.10 174.13 2ida s THR 15 N -1.87 5.27 0.03 5.32 2.01 -1.26 -4.90 115.64 120.25 2ida s THR 15 Ca 0.30 0.53 -0.30 0.00 0.31 0.00 0.00 61.69 62.53 2ida s THR 15 Cb -0.09 -3.64 -0.08 0.00 0.01 0.00 0.00 72.50 68.70 2ida s THR 15 CO 0.22 0.32 1.70 -2.16 -0.69 0.00 0.00 174.62 174.02 2ida s PRO 16 N 0.93 4.18 0.33 4.92 0.04 -1.26 -4.60 135.00 139.54 2ida s PRO 16 Ca 0.16 2.34 0.07 0.00 0.04 0.00 0.00 61.00 63.61 2ida s PRO 16 Cb -0.14 -3.78 0.58 0.00 0.04 0.00 0.00 34.50 31.20 2ida s PRO 16 CO 0.05 -0.80 1.79 1.03 0.04 0.00 0.00 177.00 179.12 2ida h SER 17 N 8.99 0.26 -3.52 6.66 0.87 -1.89 -3.47 113.55 121.45 2ida h SER 17 Ca -0.43 -0.08 -0.22 0.00 -1.23 0.00 0.00 61.79 59.83 2ida h SER 17 Cb 1.20 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 63.04 2ida h SER 17 CO 0.94 0.54 -0.09 0.00 -0.53 0.00 0.00 176.83 177.69 2ida n ALA 18 N -2.48 -0.39 0.16 6.23 0.00 -1.26 -5.09 120.51 117.67 2ida n ALA 18 Ca -0.01 -1.33 -0.07 0.00 0.00 0.00 0.00 53.44 52.03 2ida n ALA 18 Cb 0.38 1.07 -0.03 0.00 0.00 0.00 0.00 19.45 20.87 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 -0.38 0.00 0.00 3.38 -1.96 -3.47 115.31 112.88 2ida h LEU 19 Ca -0.23 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2ida h LEU 19 Cb 1.00 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2ida h LEU 19 CO 0.31 -0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.39 2ida n GLY 20 N 0.37 3.70 3.62 0.83 0.00 -1.26 -4.94 105.19 107.50 2ida n GLY 20 Ca -0.06 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 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 12.06 0.30 -0.39 0.00 5.08 -1.96 -1.40 114.58 128.27 2ida h GLU 22 Ca -0.36 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2ida h GLU 22 Cb 1.18 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 2ida h GLU 22 CO 1.00 0.20 0.24 1.49 -1.00 0.00 0.00 179.01 180.94 2ida h GLU 23 N 0.31 0.52 -0.02 2.33 4.81 -1.90 -2.46 114.58 118.18 2ida h GLU 23 Ca 0.33 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.46 2ida h GLU 23 Cb 0.48 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2ida h GLU 23 CO -0.39 0.37 -0.27 0.00 -0.73 0.00 0.00 179.01 177.99 2ida h LEU 25 N 0.03 0.00 -1.04 0.00 3.38 -0.79 0.23 115.31 117.12 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 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2ida h LEU 25 CO 0.04 0.11 -0.02 0.07 0.09 0.00 0.00 178.44 178.72 2ida h LYS 26 N 0.00 0.00 0.00 1.13 2.10 -1.40 -3.24 116.57 115.16 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 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 2ida h LYS 26 CO 0.01 0.02 0.00 0.44 -2.00 0.00 0.00 179.45 177.93 2ida n ILE 27 N -3.12 0.00 -2.35 0.07 -5.35 -1.03 -5.02 119.36 102.56 2ida n ILE 27 Ca 0.01 -0.36 -0.03 0.00 -0.27 0.00 0.00 62.75 62.11 2ida n ILE 27 Cb 0.38 1.13 0.01 0.00 -1.74 0.00 0.00 39.64 39.43 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 0.38 0.43 3.85 3.28 0.00 0.07 -5.06 105.19 108.15 2ida n GLY 28 Ca 0.00 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.16 6.18 1.02 1.61 0.15 0.58 -5.01 113.70 115.06 2ida s SER 29 Ca 0.03 0.38 -0.15 0.00 0.70 0.00 0.00 55.95 56.91 2ida s SER 29 Cb -0.01 -1.94 0.20 0.00 -1.71 0.00 0.00 66.02 62.56 2ida s SER 29 CO 0.11 0.37 1.14 -2.16 1.20 0.00 0.00 173.24 173.90 2ida s PRO 30 N -1.24 0.24 0.08 5.44 0.04 -1.26 -4.55 135.00 133.75 2ida s PRO 30 Ca 0.18 0.15 -0.12 0.00 0.04 0.00 0.00 61.00 61.25 2ida s PRO 30 Cb -0.12 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.69 2ida s PRO 30 CO 0.07 -2.78 0.28 1.67 0.04 0.00 0.00 177.00 176.28 2ida s TRP 31 N -3.21 -0.02 -0.02 0.56 -2.14 -1.26 -4.98 118.94 107.88 2ida s TRP 31 Ca 0.67 -0.29 -0.01 0.00 2.66 0.00 0.00 56.10 59.13 2ida s TRP 31 Cb -0.13 0.07 -0.00 0.00 -3.10 0.00 0.00 33.47 30.31 2ida s TRP 31 CO 0.55 -0.57 -0.03 0.28 -2.66 0.00 0.00 176.95 174.53 2ida n VAL 32 N 0.11 0.17 -4.44 -0.66 0.31 -1.26 -4.15 118.33 108.40 2ida n VAL 32 Ca -0.16 0.47 -0.23 0.00 -0.01 0.00 0.00 64.34 64.40 2ida n VAL 32 Cb 0.62 -1.60 -0.13 0.00 -0.91 0.00 0.00 33.84 31.81 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 -1.16 1.59 -0.13 3.52 0.09 -1.26 -4.71 115.29 113.24 2ida s HIS 33 Ca -0.02 -0.39 -0.12 0.00 -0.00 0.00 0.00 55.06 54.53 2ida s HIS 33 Cb 0.00 -0.93 -0.05 0.00 -0.00 0.00 0.00 32.58 31.61 2ida s HIS 33 CO 0.03 0.10 0.26 -0.51 -0.00 0.00 0.00 174.74 174.62 2ida s LEU 34 N -1.38 4.32 -0.14 0.89 1.43 -1.26 -3.06 118.68 119.46 2ida s LEU 34 Ca 0.05 0.55 -0.00 0.00 -1.03 0.00 0.00 54.13 53.70 2ida s LEU 34 Cb -0.09 -2.31 0.03 0.00 0.03 0.00 0.00 46.19 43.85 2ida s LEU 34 CO 0.02 0.22 -0.09 -0.13 0.23 0.00 0.00 176.35 176.60 2ida s ARG 35 N -0.17 1.75 -0.22 1.70 0.52 -0.98 -0.67 118.95 120.88 2ida s ARG 35 Ca 0.16 -0.46 -0.14 0.00 -0.52 0.00 0.00 55.73 54.77 2ida s ARG 35 Cb -0.13 -1.91 -0.04 0.00 0.52 0.00 0.00 34.95 33.38 2ida s ARG 35 CO 0.05 -0.32 0.33 -1.50 0.02 0.00 0.00 175.30 173.88 2ida s ILE 36 N 1.60 5.23 -0.31 1.52 2.07 0.11 -0.81 121.20 130.62 2ida s ILE 36 Ca 0.03 0.55 -0.29 0.00 -1.41 0.00 0.00 60.65 59.53 2ida s ILE 36 Cb -0.14 -3.67 -0.01 0.00 0.13 0.00 0.00 42.46 38.78 2ida s ILE 36 CO -0.09 0.26 1.49 0.00 -1.91 0.00 0.00 174.94 174.69 2ida n ARG 38 N 7.77 0.65 -0.07 0.00 5.12 -0.81 -0.34 116.66 128.98 2ida n ARG 38 Ca 0.17 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 56.01 2ida n ARG 38 Cb 0.47 -1.07 -0.08 0.00 -1.16 0.00 0.00 32.46 30.62 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 0.87 -0.36 0.55 -1.04 -1.26 -2.98 114.28 109.49 2ida n THR 39 Ca 0.02 -0.42 0.00 0.00 -2.04 0.00 0.00 64.05 61.61 2ida n THR 39 Cb 0.01 -0.90 0.00 0.00 -1.82 0.00 0.00 70.33 67.62 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 -0.02 0.41 3.86 0.00 0.00 0.54 -4.92 105.19 105.06 2ida n GLY 41 Ca 0.00 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 2ida n GLY 41 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ida s HIS 42 N -1.78 3.63 -0.21 1.61 3.76 -1.25 -2.69 115.29 118.36 2ida s HIS 42 Ca 0.00 0.81 -0.15 0.00 -0.15 0.00 0.00 55.06 55.56 2ida s HIS 42 Cb 0.00 -2.16 -0.04 0.00 1.11 0.00 0.00 32.58 31.49 2ida s HIS 42 CO 0.00 0.59 0.37 0.08 -0.85 0.00 0.00 174.74 174.93 2ida s VAL 43 N -1.26 5.21 0.14 -0.90 1.01 -1.26 -0.43 120.40 122.91 2ida s VAL 43 Ca 0.28 0.64 0.10 0.00 0.00 0.00 0.00 61.98 63.00 2ida s VAL 43 Cb -0.15 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2ida s VAL 43 CO 0.15 0.25 -0.21 -0.83 0.00 0.00 0.00 175.10 174.46 2ida s GLY 44 N 1.08 1.66 -0.00 4.51 0.00 0.01 -3.63 107.32 110.95 2ida s GLY 44 Ca 0.18 -1.44 -0.30 0.00 0.00 0.00 0.00 44.72 43.15 2ida s GLY 44 CO 0.08 -1.43 1.29 0.00 0.00 0.00 0.00 173.10 173.03 2ida n ASP 47 N -4.82 0.00 0.22 0.00 5.68 -1.26 -1.55 116.55 114.82 2ida n ASP 47 Ca 0.12 0.07 0.10 0.00 -0.50 0.00 0.00 54.79 54.59 2ida n ASP 47 Cb 0.59 -0.32 0.38 0.00 -1.14 0.00 0.00 41.12 40.63 2ida n ASP 47 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2ida h ASP 48 N 0.00 0.00 -3.37 -1.12 3.32 -1.93 -3.45 116.42 109.87 2ida h ASP 48 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 2ida h ASP 48 Cb 0.22 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 2ida h ASP 48 CO 0.00 0.19 -0.11 -0.55 -1.72 0.00 0.00 179.24 177.05 2ida s SER 49 N -6.14 6.71 0.00 6.45 0.15 -0.59 -4.88 113.70 115.39 2ida s SER 49 Ca 0.02 0.98 0.07 0.00 0.70 0.00 0.00 55.95 57.72 2ida s SER 49 Cb 0.09 -2.25 0.28 0.00 -1.71 0.00 0.00 66.02 62.43 2ida s SER 49 CO 0.64 0.01 1.21 -0.81 1.20 0.00 0.00 173.24 175.50 2ida n PRO 50 N 0.31 0.00 -0.06 5.44 -0.04 -1.26 -2.93 135.00 136.47 2ida n PRO 50 Ca -0.02 0.38 -0.03 0.00 -0.04 0.00 0.00 63.50 63.79 2ida n PRO 50 Cb 0.52 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 2ida n PRO 50 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ida h HIS 51 N 0.00 0.00 -5.93 0.54 3.86 -1.92 -3.48 115.15 108.21 2ida h HIS 51 Ca 0.00 0.00 -0.41 0.00 -1.16 0.00 0.00 60.37 58.80 2ida h HIS 51 Cb 0.11 0.00 0.10 0.00 1.06 0.00 0.00 27.41 28.69 2ida h HIS 51 CO 0.00 0.23 -0.71 1.63 0.86 0.00 0.00 177.93 179.94 2ida n LYS 52 N -4.73 -7.28 0.21 2.45 5.02 -1.15 -4.90 118.16 107.78 2ida n LYS 52 Ca -0.03 0.78 0.08 0.00 -2.02 0.00 0.00 58.31 57.12 2ida n LYS 52 Cb 0.12 -5.79 0.37 0.00 -0.02 0.00 0.00 35.03 29.72 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 -2.48 0.00 -0.35 2.13 2.76 -1.80 -3.02 115.15 112.39 2ida h HIS 53 Ca -0.58 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 57.54 2ida h HIS 53 Cb 1.37 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.32 2ida h HIS 53 CO 0.51 0.27 0.01 0.00 -1.30 0.00 0.00 177.93 177.41 2ida h ALA 54 N 1.73 0.47 -0.20 5.26 0.00 -1.68 -0.16 119.26 124.68 2ida h ALA 54 Ca -0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 2ida h ALA 54 Cb 0.87 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2ida h ALA 54 CO 0.04 0.23 -0.08 1.79 0.00 0.00 0.00 179.25 181.23 2ida h THR 55 N 0.43 1.30 0.00 0.00 1.35 -1.78 -2.77 112.91 111.44 2ida h THR 55 Ca 0.10 -1.11 -0.03 0.00 -0.55 0.00 0.00 66.41 64.81 2ida h THR 55 Cb 0.45 1.60 -0.00 0.00 -1.73 0.00 0.00 68.15 68.47 2ida h THR 55 CO 0.02 0.34 -0.16 0.03 -0.25 0.00 0.00 175.52 175.49 2ida h ARG 56 N 0.12 0.00 -0.34 4.72 3.08 -1.52 -2.10 114.38 118.34 2ida h ARG 56 Ca 0.05 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 2ida h ARG 56 Cb 0.55 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 2ida h ARG 56 CO 0.03 0.16 -0.01 1.25 -1.07 0.00 0.00 179.97 180.33 2ida h HIS 57 N 0.00 0.55 -0.39 3.04 2.76 -0.73 -2.71 115.15 117.67 2ida h HIS 57 Ca -0.00 -0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.08 2ida h HIS 57 Cb 0.46 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.24 2ida h HIS 57 CO 0.00 0.54 0.13 0.35 -1.30 0.00 0.00 177.93 177.66 2ida h PHE 58 N 0.51 0.62 0.00 5.26 3.57 -1.28 0.49 116.94 126.11 2ida h PHE 58 Ca 0.11 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 2ida h PHE 58 Cb 0.34 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 2ida h PHE 58 CO 0.01 0.57 -0.15 1.25 -2.23 0.00 0.00 178.31 177.77 2ida h HIS 59 N 0.48 0.00 0.00 0.41 2.76 -1.54 0.38 115.15 117.64 2ida h HIS 59 Ca 0.13 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.27 2ida h HIS 59 Cb 0.24 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.19 2ida h HIS 59 CO 0.01 0.15 -0.22 0.00 -1.30 0.00 0.00 177.93 176.56 2ida h ALA 60 N 1.85 0.03 0.00 5.26 0.00 -1.14 -3.40 119.26 121.85 2ida h ALA 60 Ca -0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 2ida h ALA 60 Cb 0.33 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2ida h ALA 60 CO 0.02 0.17 -1.29 0.25 0.00 0.00 0.00 179.25 178.39 2ida n THR 61 N -4.68 0.64 -2.71 0.00 -2.24 0.12 -4.98 114.28 100.44 2ida n THR 61 Ca -0.07 -0.58 -0.05 0.00 -2.27 0.00 0.00 64.05 61.08 2ida n THR 61 Cb 0.23 -0.36 0.02 0.00 -2.10 0.00 0.00 70.33 68.12 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 1.25 0.57 3.20 3.38 0.00 0.13 -5.03 105.19 108.70 2ida n GLY 62 Ca -0.03 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.07 3.44 -0.97 1.61 3.76 -1.24 -4.98 115.29 113.84 2ida s HIS 63 Ca 0.12 -1.93 0.28 0.00 -0.15 0.00 0.00 55.06 53.38 2ida s HIS 63 Cb -0.05 -3.25 1.09 0.00 1.11 0.00 0.00 32.58 31.47 2ida s HIS 63 CO 0.17 -0.95 1.84 -0.35 -0.85 0.00 0.00 174.74 174.60 2ida n PRO 64 N 4.82 0.03 -4.73 8.40 -0.04 -1.26 -4.60 135.00 137.62 2ida n PRO 64 Ca -0.07 0.02 -0.30 0.00 -0.04 0.00 0.00 63.50 63.11 2ida n PRO 64 Cb 0.41 -1.53 -0.17 0.00 -0.04 0.00 0.00 33.50 32.18 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 -3.01 1.78 0.02 0.52 1.01 -1.26 -0.81 121.20 119.44 2ida s ILE 65 Ca 0.13 -0.83 0.05 0.00 0.00 0.00 0.00 60.65 60.01 2ida s ILE 65 Cb 0.18 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 2ida s ILE 65 CO 0.56 0.50 -0.16 0.27 0.00 0.00 0.00 174.94 176.11 2ida s ILE 66 N 0.73 1.28 -0.01 2.92 -4.36 -0.17 -1.92 121.20 119.67 2ida s ILE 66 Ca -0.11 -0.88 -0.02 0.00 -0.26 0.00 0.00 60.65 59.38 2ida s ILE 66 Cb -0.16 -1.10 -0.04 0.00 1.25 0.00 0.00 42.46 42.41 2ida s ILE 66 CO 0.02 0.21 0.16 -0.70 0.24 0.00 0.00 174.94 174.86 2ida s GLU 67 N -0.78 3.35 -0.66 0.37 2.12 0.17 0.72 118.70 123.98 2ida s GLU 67 Ca 0.05 -0.36 -0.27 0.00 0.36 0.00 0.00 54.97 54.75 2ida s GLU 67 Cb -0.07 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.28 2ida s GLU 67 CO 0.00 0.67 1.60 0.20 -0.54 0.00 0.00 175.26 177.20 2ida s GLY 68 N -1.88 0.51 -0.01 -1.50 0.00 0.14 0.09 107.32 104.66 2ida s GLY 68 Ca 0.26 -0.95 -0.12 0.00 0.00 0.00 0.00 44.72 43.91 2ida s GLY 68 CO 0.17 3.08 0.82 -1.82 0.00 0.00 0.00 173.10 175.35 2ida h TYR 69 N 12.75 0.80 0.04 1.90 3.20 -1.22 -3.37 116.97 131.07 2ida h TYR 69 Ca -0.27 -0.58 -0.00 0.00 3.14 0.00 0.00 58.73 61.02 2ida h TYR 69 Cb 1.11 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.35 2ida h TYR 69 CO 1.08 1.60 -0.02 0.22 -1.64 0.00 0.00 178.16 179.40 2ida h ASP 70 N 0.12 -0.05 -2.30 -2.11 3.58 -1.80 -3.45 116.42 110.41 2ida h ASP 70 Ca -0.30 -0.61 -0.54 0.00 0.42 0.00 0.00 57.03 56.00 2ida h ASP 70 Cb 2.12 0.01 0.02 0.00 1.72 0.00 0.00 39.33 43.20 2ida h ASP 70 CO 0.22 0.69 1.24 -2.65 -2.88 0.00 0.00 179.24 175.85 2ida n PRO 71 N -4.75 2.76 0.00 0.28 -0.02 -1.26 -4.84 135.00 127.17 2ida n PRO 71 Ca -0.08 1.00 0.05 0.00 -2.02 0.00 0.00 63.50 62.45 2ida n PRO 71 Cb 0.32 -2.99 0.27 0.00 -0.02 0.00 0.00 33.50 31.08 2ida n PRO 71 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2ida n PRO 72 N 7.52 0.25 -0.20 0.52 -0.02 -1.26 -2.71 135.00 139.10 2ida n PRO 72 Ca 0.21 0.06 -0.07 0.00 -2.02 0.00 0.00 63.50 61.68 2ida n PRO 72 Cb 0.40 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.40 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 0.00 0.80 -3.38 -0.52 5.08 -1.90 -3.49 114.58 111.18 2ida h GLU 73 Ca 0.00 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2ida h GLU 73 Cb 0.03 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2ida h GLU 73 CO 0.00 0.64 -0.08 0.41 -1.00 0.00 0.00 179.01 178.98 2ida n GLY 74 N -0.97 -0.79 3.19 -3.84 0.00 -1.10 -4.45 105.19 97.23 2ida n GLY 74 Ca 0.03 0.12 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.31 1.01 -0.04 1.61 1.48 -1.26 -0.44 118.94 120.00 2ida s TRP 75 Ca 0.04 -1.18 0.05 0.00 -1.06 0.00 0.00 56.10 53.95 2ida s TRP 75 Cb -0.01 -0.57 -0.01 0.00 -1.16 0.00 0.00 33.47 31.73 2ida s TRP 75 CO 0.13 -0.43 -0.18 0.20 -4.06 0.00 0.00 176.95 172.60 2ida s GLY 76 N -3.10 0.96 -0.16 3.67 0.00 0.20 0.26 107.32 109.15 2ida s GLY 76 Ca 0.26 -0.75 -0.06 0.00 0.00 0.00 0.00 44.72 44.17 2ida s GLY 76 CO 0.04 -0.45 0.04 0.86 0.00 0.00 0.00 173.10 173.59 2ida s TRP 77 N -0.09 3.23 -0.23 1.90 -0.11 0.22 -0.93 118.94 122.94 2ida s TRP 77 Ca -0.01 0.07 -0.02 0.00 1.22 0.00 0.00 56.10 57.36 2ida s TRP 77 Cb -0.11 -2.00 0.02 0.00 -1.50 0.00 0.00 33.47 29.88 2ida s TRP 77 CO 0.02 0.22 -0.08 0.00 -4.62 0.00 0.00 176.95 172.48 2ida h TYR 79 N 8.02 -0.37 0.00 0.00 0.05 -1.30 0.38 116.97 123.76 2ida h TYR 79 Ca -0.37 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.40 2ida h TYR 79 Cb 1.13 0.13 -0.00 0.00 1.01 0.00 0.00 36.73 39.00 2ida h TYR 79 CO 0.56 -0.21 -0.02 -0.39 -1.05 0.00 0.00 178.16 177.05 2ida h VAL 80 N -0.34 0.15 0.09 -2.88 -1.51 -1.97 -1.42 116.25 108.37 2ida h VAL 80 Ca -0.03 -0.20 -0.30 0.00 -1.23 0.00 0.00 66.70 64.93 2ida h VAL 80 Cb 0.27 1.17 -0.02 0.00 -2.13 0.00 0.00 31.29 30.59 2ida h VAL 80 CO 0.03 0.02 -1.59 0.44 -1.23 0.00 0.00 177.57 175.25 2ida h ASP 81 N 0.00 0.30 -1.90 4.19 5.19 -1.89 -3.48 116.42 118.83 2ida h ASP 81 Ca -0.00 -0.46 -0.33 0.00 -0.62 0.00 0.00 57.03 55.62 2ida h ASP 81 Cb 0.17 -0.10 -0.05 0.00 0.18 0.00 0.00 39.33 39.54 2ida h ASP 81 CO 0.00 1.39 -0.39 -0.62 -3.12 0.00 0.00 179.24 176.51 2ida n GLU 82 N -3.38 -1.26 -4.79 3.56 1.02 0.13 -5.00 120.64 110.92 2ida n GLU 82 Ca -0.17 0.87 -0.32 0.00 -0.02 0.00 0.00 57.16 57.52 2ida n GLU 82 Cb 1.04 -5.22 -0.13 0.00 -0.02 0.00 0.00 31.44 27.11 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 -2.76 2.99 -0.31 2.62 -7.23 -1.21 -4.98 120.40 109.53 2ida s VAL 83 Ca 0.00 -0.89 -0.07 0.00 -1.81 0.00 0.00 61.98 59.21 2ida s VAL 83 Cb 0.00 -2.21 0.02 0.00 0.56 0.00 0.00 36.38 34.75 2ida s VAL 83 CO 0.00 0.49 0.09 -0.32 -0.31 0.00 0.00 175.10 175.05 2ida s MET 84 N -1.02 2.93 0.14 4.82 1.75 -1.26 -2.00 119.30 124.66 2ida s MET 84 Ca 0.13 -0.96 0.07 0.00 -1.25 0.00 0.00 55.69 53.67 2ida s MET 84 Cb -0.11 -3.40 -0.04 0.00 2.84 0.00 0.00 34.83 34.13 2ida s MET 84 CO 0.03 -0.52 -0.02 -0.59 -0.65 0.00 0.00 175.02 173.27 2ida s PHE 85 N 1.47 2.86 0.18 4.11 -0.71 -0.10 -0.05 117.98 125.73 2ida s PHE 85 Ca 0.01 -0.11 -0.30 0.00 -1.04 0.00 0.00 56.93 55.49 2ida s PHE 85 Cb -0.18 -1.43 -0.08 0.00 -1.21 0.00 0.00 43.02 40.13 2ida s PHE 85 CO 0.02 0.49 1.16 0.34 -1.34 0.00 0.00 175.22 175.89 2ida s ASP 86 N -2.63 7.15 -0.06 1.98 -1.08 -1.03 0.61 116.67 121.61 2ida s ASP 86 Ca 0.26 2.17 0.09 0.00 -0.52 0.00 0.00 52.55 54.55 2ida s ASP 86 Cb -0.10 -2.60 0.16 0.00 -1.46 0.00 0.00 42.92 38.91 2ida s ASP 86 CO 0.17 -0.32 1.08 0.18 0.52 0.00 0.00 175.17 176.80 2ida n LEU 87 N 2.52 1.11 0.01 -1.34 4.77 0.42 -4.75 117.00 119.73 2ida n LEU 87 Ca 0.04 -2.01 0.05 0.00 -0.03 0.00 0.00 56.01 54.06 2ida n LEU 87 Cb 0.45 -0.19 0.44 0.00 -2.33 0.00 0.00 43.42 41.79 2ida n LEU 87 CO 0.55 0.50 1.16 0.77 -1.33 0.00 0.00 177.39 179.04 2ida h SER 88 N 0.10 0.44 1.89 -1.43 4.64 -1.17 0.28 113.55 118.29 2ida h SER 88 Ca -0.01 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2ida h SER 88 Cb 1.25 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2ida h SER 88 CO 0.01 0.31 -0.01 -0.78 -0.87 0.00 0.00 176.83 175.48 2ida h ASP 89 N 0.51 0.00 0.00 4.97 3.58 -1.90 -3.31 116.42 120.27 2ida h ASP 89 Ca 0.15 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 2ida h ASP 89 Cb -0.01 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 2ida h ASP 89 CO -0.03 0.01 -0.20 0.54 -2.88 0.00 0.00 179.24 176.68 2ida n ARG 90 N -3.10 1.16 -2.18 0.28 1.74 0.48 -5.07 116.66 109.96 2ida n ARG 90 Ca 0.04 -2.55 -0.27 0.00 -0.77 0.00 0.00 57.85 54.30 2ida n ARG 90 Cb 0.51 -1.36 0.05 0.00 -1.02 0.00 0.00 32.46 30.65 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 -2.54 2.54 -0.11 5.56 0.23 0.69 -4.97 119.30 120.70 2ida s MET 91 Ca 0.30 -0.00 -0.23 0.00 -1.03 0.00 0.00 55.69 54.73 2ida s MET 91 Cb 0.27 -2.16 -0.03 0.00 -1.53 0.00 0.00 34.83 31.39 2ida s MET 91 CO -0.00 -1.05 0.69 0.99 -2.03 0.00 0.00 175.02 173.62 2ida s THR 92 N -3.21 5.02 0.27 3.16 2.01 -1.26 -5.04 115.64 116.59 2ida s THR 92 Ca 0.58 1.39 -0.30 0.00 0.31 0.00 0.00 61.69 63.67 2ida s THR 92 Cb -0.11 -4.02 -0.10 0.00 0.01 0.00 0.00 72.50 68.28 2ida s THR 92 CO 0.47 0.19 1.38 -2.84 -0.69 0.00 0.00 174.62 173.13 2ida s PRO 93 N 1.22 4.31 0.00 4.92 0.02 -1.26 -4.99 135.00 139.23 2ida s PRO 93 Ca 0.35 2.24 -0.30 0.00 0.02 0.00 0.00 61.00 63.31 2ida s PRO 93 Cb -0.17 -3.11 -0.03 0.00 0.02 0.00 0.00 34.50 31.21 2ida s PRO 93 CO 0.15 -0.33 1.03 -3.38 -0.33 0.00 0.00 177.00 174.15 2ida s HIS 94 N -0.33 3.59 -2.00 6.54 -3.43 -1.26 -4.81 115.29 113.59 2ida s HIS 94 Ca 0.56 1.59 0.12 0.00 -0.80 0.00 0.00 55.06 56.53 2ida s HIS 94 Cb -0.40 -3.20 0.72 0.00 -1.43 0.00 0.00 32.58 28.27 2ida s HIS 94 CO 0.46 -0.33 1.46 0.27 -2.00 0.00 0.00 174.74 174.60 2ida n ASN 95 N 4.02 0.04 0.00 7.38 0.23 -1.26 -4.88 115.26 120.79 2ida n ASN 95 Ca 0.07 -1.63 0.00 0.00 -0.53 0.00 0.00 54.58 52.49 2ida n ASN 95 Cb 0.50 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 2ida n ASN 95 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ida n GLY 96 N 0.70 0.39 3.60 4.83 0.00 -1.26 -5.06 105.19 108.38 2ida n GLY 96 Ca 0.09 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 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 3.12 0.02 1.61 0.02 -1.26 -4.95 135.00 131.56 2ida s PRO 97 Ca 0.00 1.87 -0.29 0.00 0.02 0.00 0.00 61.00 62.60 2ida s PRO 97 Cb 0.00 -4.35 -0.04 0.00 0.02 0.00 0.00 34.50 30.13 2ida s PRO 97 CO 0.00 -2.12 0.95 0.42 -0.33 0.00 0.00 177.00 175.92 2ida s ILE 98 N 8.22 4.79 -0.39 2.83 1.01 -1.26 -4.99 121.20 131.42 2ida s ILE 98 Ca 0.96 2.00 -0.28 0.00 0.00 0.00 0.00 60.65 63.33 2ida s ILE 98 Cb -0.30 -4.29 -0.02 0.00 0.01 0.00 0.00 42.46 37.86 2ida s ILE 98 CO 0.34 0.21 1.79 -2.84 0.00 0.00 0.00 174.94 174.44 2ida s PRO 99 N 0.73 3.21 -0.36 2.79 0.02 -1.26 -4.98 135.00 135.15 2ida s PRO 99 Ca 0.49 1.24 -0.11 0.00 0.02 0.00 0.00 61.00 62.64 2ida s PRO 99 Cb -0.21 -4.22 0.02 0.00 0.02 0.00 0.00 34.50 30.10 2ida s PRO 99 CO 0.28 -2.01 0.20 0.50 -0.33 0.00 0.00 177.00 175.63 2ida s ARG 100 N 5.89 2.97 0.19 5.54 3.00 -1.26 -4.94 118.95 130.33 2ida s ARG 100 Ca 0.76 -0.98 0.15 0.00 -1.00 0.00 0.00 55.73 54.66 2ida s ARG 100 Cb -0.20 -3.71 -0.03 0.00 0.00 0.00 0.00 34.95 31.02 2ida s ARG 100 CO 0.31 -0.63 1.20 1.88 0.00 0.00 0.00 175.30 178.07 2ida h TYR 101 N 8.43 0.00 -0.02 5.12 0.05 -1.88 -3.52 116.97 125.15 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 1.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.86 2ida h TYR 101 CO 0.59 0.57 0.00 1.33 -1.05 0.00 0.00 178.16 179.60