#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 2.07 0.13 1.12 -4.23 -0.70 -4.91 115.64 109.12 2ida s THR 2 Ca 0.00 -1.66 -0.11 0.00 -1.18 0.00 0.00 61.69 58.75 2ida s THR 2 Cb 0.00 -2.73 -0.08 0.00 1.34 0.00 0.00 72.50 71.03 2ida s THR 2 CO 0.00 0.00 1.42 -0.03 -0.54 0.00 0.00 174.62 175.47 2ida h MET 3 N 1.24 0.87 0.00 3.99 4.05 -1.96 -2.82 114.93 120.29 2ida h MET 3 Ca -0.41 -0.54 0.00 0.00 -0.28 0.00 0.00 59.70 58.46 2ida h MET 3 Cb 1.27 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.13 2ida h MET 3 CO 0.67 1.18 0.00 0.41 0.23 0.00 0.00 176.91 179.40 2ida n GLY 4 N 0.35 0.68 3.69 1.39 0.00 -1.26 -4.67 105.19 105.37 2ida n GLY 4 Ca -0.04 -1.78 -0.09 0.00 0.00 0.00 0.00 46.02 44.11 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 2.13 0.00 0.00 0.00 0.11 -2.02 -1.09 114.38 113.51 2ida h ARG 6 Ca -0.25 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.79 2ida h ARG 6 Cb 1.25 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 2ida h ARG 6 CO 0.32 0.01 -0.20 0.45 0.10 0.00 0.00 179.97 180.65 2ida h HIS 7 N 0.00 0.00 0.00 4.08 3.86 -2.01 -2.21 115.15 118.87 2ida h HIS 7 Ca -0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 2ida h HIS 7 Cb 0.03 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 2ida h HIS 7 CO 0.00 0.20 -0.24 0.28 0.86 0.00 0.00 177.93 179.03 2ida h VAL 8 N 0.00 1.10 0.00 2.45 2.07 -1.59 -0.97 116.25 119.31 2ida h VAL 8 Ca -0.00 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.68 2ida h VAL 8 Cb 0.45 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2ida h VAL 8 CO 0.03 0.23 0.00 0.00 0.02 0.00 0.00 177.57 177.85 2ida n ALA 9 N -2.46 1.64 0.61 1.67 0.00 -0.83 -2.53 120.51 118.61 2ida n ALA 9 Ca -0.02 0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.56 2ida n ALA 9 Cb 0.30 -1.33 -0.13 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.05 -0.90 3.86 0.00 0.00 -0.37 -4.96 105.19 102.76 2ida n GLY 10 Ca 0.02 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.08 4.74 0.45 -0.61 -4.36 -1.05 -5.00 121.20 112.30 2ida s ILE 11 Ca 0.02 0.77 0.03 0.00 -0.26 0.00 0.00 60.65 61.21 2ida s ILE 11 Cb 0.14 -3.66 -0.03 0.00 1.25 0.00 0.00 42.46 40.16 2ida s ILE 11 CO 0.83 -0.33 0.05 0.00 0.24 0.00 0.00 174.94 175.73 2ida s ARG 12 N -3.36 2.05 -0.66 0.37 1.70 -1.07 -5.02 118.95 112.96 2ida s ARG 12 Ca 0.52 -2.27 -0.27 0.00 -0.47 0.00 0.00 55.73 53.25 2ida s ARG 12 Cb -0.10 -1.19 0.01 0.00 -0.57 0.00 0.00 34.95 33.10 2ida s ARG 12 CO 0.24 -0.36 1.44 0.99 -1.08 0.00 0.00 175.30 176.53 2ida s THR 13 N -3.00 3.66 -0.03 4.99 2.01 -1.26 -4.79 115.64 117.22 2ida s THR 13 Ca 0.17 0.44 -0.04 0.00 0.31 0.00 0.00 61.69 62.57 2ida s THR 13 Cb 0.03 -4.57 -0.04 0.00 0.01 0.00 0.00 72.50 67.93 2ida s THR 13 CO 0.09 -1.45 0.19 0.68 -0.69 0.00 0.00 174.62 173.44 2ida s VAL 14 N 6.55 5.43 -0.09 3.82 -7.23 -1.26 -5.06 120.40 122.55 2ida s VAL 14 Ca 0.47 -0.01 -0.24 0.00 -1.81 0.00 0.00 61.98 60.39 2ida s VAL 14 Cb -0.10 -3.51 -0.03 0.00 0.56 0.00 0.00 36.38 33.30 2ida s VAL 14 CO 0.19 0.40 0.75 -0.89 -0.31 0.00 0.00 175.10 175.25 2ida s THR 15 N -1.25 4.99 0.22 5.32 2.01 -1.26 -4.88 115.64 120.79 2ida s THR 15 Ca 0.24 1.53 -0.31 0.00 0.31 0.00 0.00 61.69 63.47 2ida s THR 15 Cb -0.13 -4.08 -0.11 0.00 0.01 0.00 0.00 72.50 68.19 2ida s THR 15 CO 0.15 0.18 1.57 -2.16 -0.69 0.00 0.00 174.62 173.67 2ida s PRO 16 N 1.20 4.19 0.13 4.92 0.04 -1.26 -4.51 135.00 139.71 2ida s PRO 16 Ca 0.39 2.43 -0.19 0.00 0.04 0.00 0.00 61.00 63.67 2ida s PRO 16 Cb -0.18 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 2ida s PRO 16 CO 0.17 -0.59 1.78 0.77 0.04 0.00 0.00 177.00 179.17 2ida h SER 17 N 6.03 0.31 -5.29 6.66 0.02 -1.84 -3.47 113.55 115.97 2ida h SER 17 Ca -0.44 -0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 60.33 2ida h SER 17 Cb 1.21 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 63.63 2ida h SER 17 CO 0.87 0.23 0.01 0.00 -1.14 0.00 0.00 176.83 176.80 2ida s ALA 18 N -6.13 0.08 0.07 3.77 0.00 -1.26 -5.02 121.76 113.28 2ida s ALA 18 Ca -0.13 -1.16 -0.36 0.00 0.00 0.00 0.00 51.96 50.31 2ida s ALA 18 Cb 0.09 0.95 -0.18 0.00 0.00 0.00 0.00 23.12 23.98 2ida s ALA 18 CO 0.70 -0.88 1.58 -0.07 0.00 0.00 0.00 175.76 177.09 2ida h LEU 19 N 2.07 -1.18 0.00 0.00 3.38 -1.92 -3.46 115.31 114.20 2ida h LEU 19 Ca -0.29 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2ida h LEU 19 Cb 1.24 0.35 0.00 0.00 0.09 0.00 0.00 40.66 42.35 2ida h LEU 19 CO 0.39 -0.70 0.00 0.61 0.09 0.00 0.00 178.44 178.83 2ida n GLY 20 N -1.59 2.97 3.65 0.83 0.00 -1.26 -4.79 105.19 104.99 2ida n GLY 20 Ca -0.14 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 2ida n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ida n GLU 22 N 6.94 0.00 0.13 0.00 2.13 -1.22 -1.47 120.64 127.15 2ida n GLU 22 Ca 0.14 0.89 -0.00 0.00 0.66 0.00 0.00 57.16 58.85 2ida n GLU 22 Cb 0.46 -1.34 0.27 0.00 0.27 0.00 0.00 31.44 31.09 2ida n GLU 22 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2ida h GLU 23 N 0.00 0.12 -0.23 5.31 4.81 -1.92 -2.60 114.58 120.07 2ida h GLU 23 Ca 0.00 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 2ida h GLU 23 Cb 0.00 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2ida h GLU 23 CO 0.00 0.52 0.01 0.00 -0.73 0.00 0.00 179.01 178.81 2ida h LEU 25 N 0.33 0.00 -1.67 0.00 3.38 -0.84 0.26 115.31 116.77 2ida h LEU 25 Ca 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2ida h LEU 25 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2ida h LEU 25 CO 0.00 0.10 -0.13 0.07 0.09 0.00 0.00 178.44 178.57 2ida h LYS 26 N 0.00 0.00 0.00 1.13 2.10 -1.45 -3.09 116.57 115.26 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 0.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 2ida h LYS 26 CO 0.01 0.13 0.00 0.44 -2.00 0.00 0.00 179.45 178.04 2ida n ILE 27 N -3.45 0.24 -3.24 0.07 -5.35 -1.00 -5.01 119.36 101.61 2ida n ILE 27 Ca -0.01 -0.39 -0.16 0.00 -0.27 0.00 0.00 62.75 61.92 2ida n ILE 27 Cb 0.30 1.14 0.07 0.00 -1.74 0.00 0.00 39.64 39.41 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 -0.12 -0.22 3.62 3.28 0.00 0.26 -4.95 105.19 107.07 2ida n GLY 28 Ca 0.00 0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.73 6.79 0.04 1.61 0.15 0.66 -4.97 113.70 114.24 2ida s SER 29 Ca 0.20 0.85 -0.30 0.00 0.70 0.00 0.00 55.95 57.40 2ida s SER 29 Cb -0.09 -2.55 -0.08 0.00 -1.71 0.00 0.00 66.02 61.59 2ida s SER 29 CO 0.58 -1.05 1.86 -2.84 1.20 0.00 0.00 173.24 172.99 2ida s PRO 30 N 4.02 4.15 0.22 5.44 0.02 -1.26 -4.79 135.00 142.80 2ida s PRO 30 Ca 0.48 2.51 0.08 0.00 0.02 0.00 0.00 61.00 64.08 2ida s PRO 30 Cb -0.11 -3.99 -0.04 0.00 0.02 0.00 0.00 34.50 30.38 2ida s PRO 30 CO 0.22 -0.90 0.06 1.67 -0.33 0.00 0.00 177.00 177.72 2ida s TRP 31 N 3.96 2.89 -0.15 6.54 -2.14 -1.26 -4.68 118.94 124.10 2ida s TRP 31 Ca 0.83 -0.14 -0.11 0.00 2.66 0.00 0.00 56.10 59.34 2ida s TRP 31 Cb -0.41 -1.34 -0.05 0.00 -3.10 0.00 0.00 33.47 28.57 2ida s TRP 31 CO 0.38 0.55 -0.15 0.28 -2.66 0.00 0.00 176.95 175.34 2ida n VAL 32 N -0.60 1.43 -4.07 -0.66 0.31 -1.26 -4.29 118.33 109.19 2ida n VAL 32 Ca -0.08 0.18 -0.13 0.00 -0.01 0.00 0.00 64.34 64.30 2ida n VAL 32 Cb 0.57 -2.35 -0.11 0.00 -0.91 0.00 0.00 33.84 31.03 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 -2.30 0.68 -0.14 3.52 0.09 -1.26 -4.90 115.29 110.99 2ida s HIS 33 Ca -0.17 -0.54 -0.03 0.00 -0.00 0.00 0.00 55.06 54.32 2ida s HIS 33 Cb 0.03 -0.41 -0.03 0.00 -0.00 0.00 0.00 32.58 32.17 2ida s HIS 33 CO 0.27 -0.09 -0.05 -0.51 -0.00 0.00 0.00 174.74 174.36 2ida s LEU 34 N -1.72 3.22 -0.08 0.89 1.43 -1.26 -1.63 118.68 119.53 2ida s LEU 34 Ca -0.08 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 2ida s LEU 34 Cb -0.08 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.40 2ida s LEU 34 CO -0.00 0.21 -0.10 -0.13 0.23 0.00 0.00 176.35 176.56 2ida s ARG 35 N 0.10 1.54 -0.22 1.70 0.52 0.23 -0.37 118.95 122.46 2ida s ARG 35 Ca -0.01 -0.32 -0.14 0.00 -0.52 0.00 0.00 55.73 54.74 2ida s ARG 35 Cb -0.14 -1.41 -0.04 0.00 0.52 0.00 0.00 34.95 33.88 2ida s ARG 35 CO 0.03 -0.10 0.32 -1.50 0.02 0.00 0.00 175.30 174.07 2ida s ILE 36 N 1.08 5.25 -0.41 1.52 2.07 0.14 -1.74 121.20 129.12 2ida s ILE 36 Ca -0.07 0.52 -0.28 0.00 -1.41 0.00 0.00 60.65 59.42 2ida s ILE 36 Cb -0.14 -3.65 -0.02 0.00 0.13 0.00 0.00 42.46 38.77 2ida s ILE 36 CO -0.01 0.28 1.84 0.00 -1.91 0.00 0.00 174.94 175.13 2ida n ARG 38 N 8.63 0.55 -0.08 0.00 5.12 -0.81 0.10 116.66 130.17 2ida n ARG 38 Ca 0.23 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 56.08 2ida n ARG 38 Cb 0.48 -1.18 -0.16 0.00 -1.16 0.00 0.00 32.46 30.45 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 -0.68 1.14 -1.09 0.55 -1.04 -1.26 -2.60 114.28 109.30 2ida n THR 39 Ca 0.05 -0.78 0.00 0.00 -2.04 0.00 0.00 64.05 61.28 2ida n THR 39 Cb 0.02 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.13 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 0.46 3.62 0.00 0.00 0.12 -4.80 105.19 104.59 2ida n GLY 41 Ca 0.00 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 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 3.18 -0.17 1.61 5.65 -1.23 -2.40 115.29 119.93 2ida s HIS 42 Ca 0.00 0.99 -0.23 0.00 0.25 0.00 0.00 55.06 56.07 2ida s HIS 42 Cb 0.00 -3.44 -0.02 0.00 -1.18 0.00 0.00 32.58 27.94 2ida s HIS 42 CO 0.00 -0.66 0.72 0.08 -0.65 0.00 0.00 174.74 174.23 2ida s VAL 43 N 3.28 4.97 0.03 0.89 1.01 -1.26 -0.84 120.40 128.48 2ida s VAL 43 Ca 0.38 1.41 -0.03 0.00 0.00 0.00 0.00 61.98 63.74 2ida s VAL 43 Cb -0.13 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 2ida s VAL 43 CO 0.14 0.10 0.03 -0.83 0.00 0.00 0.00 175.10 174.54 2ida s GLY 44 N 1.12 0.25 0.31 4.51 0.00 -0.71 -3.42 107.32 109.38 2ida s GLY 44 Ca 0.34 -0.69 -0.28 0.00 0.00 0.00 0.00 44.72 44.09 2ida s GLY 44 CO 0.12 -0.80 1.12 0.00 0.00 0.00 0.00 173.10 173.54 2ida n ASP 47 N -4.66 0.00 0.25 0.00 5.75 -1.26 -1.45 116.55 115.18 2ida n ASP 47 Ca 0.15 0.20 0.10 0.00 -0.01 0.00 0.00 54.79 55.23 2ida n ASP 47 Cb 0.58 -0.38 0.65 0.00 -1.03 0.00 0.00 41.12 40.94 2ida n ASP 47 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2ida h ASP 48 N 0.00 0.00 -2.94 -1.12 5.19 -1.93 -3.43 116.42 112.20 2ida h ASP 48 Ca 0.00 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 55.79 2ida h ASP 48 Cb 0.30 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.75 2ida h ASP 48 CO 0.00 0.15 -0.28 -0.44 -3.12 0.00 0.00 179.24 175.54 2ida s SER 49 N -6.44 6.67 0.53 6.45 0.01 -0.53 -4.78 113.70 115.62 2ida s SER 49 Ca -0.03 0.80 0.25 0.00 1.31 0.00 0.00 55.95 58.28 2ida s SER 49 Cb 0.14 -2.20 1.40 0.00 0.21 0.00 0.00 66.02 65.57 2ida s SER 49 CO 0.62 0.33 2.01 1.55 0.41 0.00 0.00 173.24 178.16 2ida h PRO 50 N 4.94 0.00 0.00 12.44 0.13 -1.83 0.35 132.00 148.03 2ida h PRO 50 Ca -0.52 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.54 2ida h PRO 50 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2ida h PRO 50 CO 0.62 0.00 -0.34 1.25 -0.23 0.00 0.00 178.00 179.30 2ida h HIS 51 N 0.00 0.00 -6.88 1.56 2.76 -1.88 -3.48 115.15 107.24 2ida h HIS 51 Ca 0.23 0.00 -0.57 0.00 -2.20 0.00 0.00 60.37 57.83 2ida h HIS 51 Cb 0.93 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.88 2ida h HIS 51 CO 0.00 0.34 -1.04 1.63 -1.30 0.00 0.00 177.93 177.56 2ida n LYS 52 N -3.44 -0.63 0.07 5.26 5.02 0.11 -4.90 118.16 119.64 2ida n LYS 52 Ca 0.00 0.28 -0.21 0.00 -2.02 0.00 0.00 58.31 56.36 2ida n LYS 52 Cb 0.51 -2.46 -0.12 0.00 -0.02 0.00 0.00 35.03 32.94 2ida n LYS 52 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2ida h HIS 53 N -1.93 1.02 -0.97 2.13 3.86 -1.55 -3.14 115.15 114.57 2ida h HIS 53 Ca -0.69 -0.60 0.01 0.00 -1.16 0.00 0.00 60.37 57.92 2ida h HIS 53 Cb 1.40 -0.10 -0.05 0.00 1.06 0.00 0.00 27.41 29.73 2ida h HIS 53 CO 0.33 1.44 0.64 0.00 0.86 0.00 0.00 177.93 181.19 2ida h ALA 54 N 0.33 1.23 -0.01 2.45 0.00 -0.97 -0.43 119.26 121.86 2ida h ALA 54 Ca -0.16 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2ida h ALA 54 Cb 1.81 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2ida h ALA 54 CO 0.22 0.63 -0.16 1.79 0.00 0.00 0.00 179.25 181.72 2ida h THR 55 N 1.31 1.55 0.00 0.00 1.35 -1.81 -2.69 112.91 112.62 2ida h THR 55 Ca 0.35 -1.83 -0.03 0.00 -0.55 0.00 0.00 66.41 64.35 2ida h THR 55 Cb -0.14 2.71 -0.00 0.00 -1.73 0.00 0.00 68.15 68.98 2ida h THR 55 CO -0.08 0.50 -0.15 0.03 -0.25 0.00 0.00 175.52 175.57 2ida h ARG 56 N -0.55 0.00 -0.26 4.72 3.08 -1.48 -1.46 114.38 118.43 2ida h ARG 56 Ca -0.02 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 2ida h ARG 56 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 2ida h ARG 56 CO 0.03 0.15 -0.11 1.25 -1.07 0.00 0.00 179.97 180.22 2ida h HIS 57 N 0.00 0.60 -0.72 3.04 2.76 -1.07 -2.52 115.15 117.23 2ida h HIS 57 Ca -0.00 -0.14 0.01 0.00 -2.20 0.00 0.00 60.37 58.03 2ida h HIS 57 Cb 0.30 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.09 2ida h HIS 57 CO 0.00 0.77 0.47 0.35 -1.30 0.00 0.00 177.93 178.23 2ida h PHE 58 N 0.26 0.91 0.00 5.26 3.57 -0.99 0.17 116.94 126.12 2ida h PHE 58 Ca 0.06 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 2ida h PHE 58 Cb 0.61 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 2ida h PHE 58 CO 0.06 0.58 -0.04 1.25 -2.23 0.00 0.00 178.31 177.92 2ida h HIS 59 N 0.98 0.00 0.01 0.41 2.76 -1.23 0.18 115.15 118.25 2ida h HIS 59 Ca 0.26 0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 58.13 2ida h HIS 59 Cb -0.11 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 28.81 2ida h HIS 59 CO -0.02 0.04 -1.68 0.00 -1.30 0.00 0.00 177.93 174.97 2ida n ALA 60 N -2.40 0.91 0.06 5.26 0.00 -0.64 -4.58 120.51 119.13 2ida n ALA 60 Ca -0.03 -0.67 0.10 0.00 0.00 0.00 0.00 53.44 52.84 2ida n ALA 60 Cb 0.13 -0.38 -0.06 0.00 0.00 0.00 0.00 19.45 19.13 2ida n ALA 60 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2ida n THR 61 N -4.28 0.49 -2.93 0.00 -2.24 0.52 -4.98 114.28 100.85 2ida n THR 61 Ca -0.38 -0.55 -0.09 0.00 -2.27 0.00 0.00 64.05 60.75 2ida n THR 61 Cb 0.77 -0.27 0.03 0.00 -2.10 0.00 0.00 70.33 68.77 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 1.23 0.36 3.21 3.38 0.00 0.62 -5.01 105.19 108.98 2ida n GLY 62 Ca -0.03 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.13 3.44 -2.10 1.61 3.76 -1.25 -4.97 115.29 112.66 2ida s HIS 63 Ca 0.23 -1.91 0.14 0.00 -0.15 0.00 0.00 55.06 53.38 2ida s HIS 63 Cb -0.10 -3.43 0.59 0.00 1.11 0.00 0.00 32.58 30.75 2ida s HIS 63 CO 0.29 -0.98 1.42 -0.35 -0.85 0.00 0.00 174.74 174.27 2ida n PRO 64 N 4.88 1.46 -4.50 8.40 -0.04 -1.26 -4.63 135.00 139.31 2ida n PRO 64 Ca -0.07 -0.71 -0.26 0.00 -0.04 0.00 0.00 63.50 62.42 2ida n PRO 64 Cb 0.41 -1.27 -0.17 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.81 1.19 0.06 0.52 1.01 -1.26 0.23 121.20 121.15 2ida s ILE 65 Ca 0.24 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.44 2ida s ILE 65 Cb 0.12 -1.10 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 2ida s ILE 65 CO 0.18 0.37 -0.11 0.27 0.00 0.00 0.00 174.94 175.65 2ida s ILE 66 N 0.83 0.87 0.03 2.92 -4.36 -0.29 -1.92 121.20 119.29 2ida s ILE 66 Ca -0.11 -1.25 0.07 0.00 -0.26 0.00 0.00 60.65 59.10 2ida s ILE 66 Cb -0.15 -0.91 -0.03 0.00 1.25 0.00 0.00 42.46 42.61 2ida s ILE 66 CO 0.02 -0.32 -0.19 -0.70 0.24 0.00 0.00 174.94 173.99 2ida s GLU 67 N -1.77 2.09 -0.38 0.37 2.12 0.11 0.60 118.70 121.83 2ida s GLU 67 Ca -0.04 -0.97 -0.28 0.00 0.36 0.00 0.00 54.97 54.04 2ida s GLU 67 Cb -0.09 -2.18 -0.03 0.00 0.26 0.00 0.00 34.13 32.08 2ida s GLU 67 CO 0.01 0.54 1.92 0.20 -0.54 0.00 0.00 175.26 177.40 2ida s GLY 68 N -1.35 0.53 -0.19 -1.50 0.00 -0.41 0.25 107.32 104.65 2ida s GLY 68 Ca 0.14 0.14 -0.11 0.00 0.00 0.00 0.00 44.72 44.89 2ida s GLY 68 CO 0.05 3.45 0.12 2.98 0.00 0.00 0.00 173.10 179.70 2ida n TYR 69 N 11.44 0.81 -0.07 1.90 9.36 0.50 -4.38 117.16 136.72 2ida n TYR 69 Ca 0.25 0.24 -0.06 0.00 3.32 0.00 0.00 57.90 61.65 2ida n TYR 69 Cb 0.48 -1.10 0.14 0.00 -0.63 0.00 0.00 39.34 38.23 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 -0.40 0.70 -3.51 2.98 2.03 -1.79 -3.41 116.42 113.02 2ida h ASP 70 Ca -0.47 -0.23 -0.60 0.00 -0.73 0.00 0.00 57.03 55.00 2ida h ASP 70 Cb 1.74 -0.19 -0.12 0.00 -0.83 0.00 0.00 39.33 39.94 2ida h ASP 70 CO -0.10 0.88 -0.12 -2.16 -1.03 0.00 0.00 179.24 176.71 2ida s PRO 71 N -4.67 4.15 0.00 4.15 0.05 -1.26 -4.97 135.00 132.45 2ida s PRO 71 Ca -0.09 0.28 -0.02 0.00 0.05 0.00 0.00 61.00 61.23 2ida s PRO 71 Cb 0.14 -3.57 -0.07 0.00 0.05 0.00 0.00 34.50 31.04 2ida s PRO 71 CO 0.82 -0.14 1.80 -2.30 0.05 0.00 0.00 177.00 177.23 2ida n PRO 72 N 4.79 0.91 -0.09 0.56 -0.02 -1.26 -4.08 135.00 135.81 2ida n PRO 72 Ca -0.07 -0.27 -0.16 0.00 -2.02 0.00 0.00 63.50 60.98 2ida n PRO 72 Cb 0.51 -1.46 -0.09 0.00 -0.02 0.00 0.00 33.50 32.44 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 2.95 0.00 -0.55 -0.52 5.08 -1.93 -3.51 114.58 116.10 2ida h GLU 73 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2ida h GLU 73 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2ida h GLU 73 CO 0.14 0.75 0.00 0.41 -1.00 0.00 0.00 179.01 179.31 2ida n GLY 74 N 1.52 0.54 3.13 -3.84 0.00 -1.26 -4.52 105.19 100.76 2ida n GLY 74 Ca -0.22 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.25 -0.03 -0.02 1.61 1.48 -1.26 -1.04 118.94 118.42 2ida s TRP 75 Ca 0.00 0.01 0.08 0.00 -1.06 0.00 0.00 56.10 55.13 2ida s TRP 75 Cb 0.00 -0.01 -0.02 0.00 -1.16 0.00 0.00 33.47 32.28 2ida s TRP 75 CO 0.00 -0.29 -0.26 0.20 -4.06 0.00 0.00 176.95 172.54 2ida s GLY 76 N -1.23 1.27 -0.10 3.67 0.00 0.12 -1.29 107.32 109.76 2ida s GLY 76 Ca -0.13 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.48 2ida s GLY 76 CO 0.02 -0.91 -0.10 0.86 0.00 0.00 0.00 173.10 172.98 2ida s TRP 77 N -0.58 2.87 -0.31 1.90 -0.11 0.20 -0.66 118.94 122.25 2ida s TRP 77 Ca 0.09 -0.27 -0.04 0.00 1.22 0.00 0.00 56.10 57.10 2ida s TRP 77 Cb -0.10 -1.78 0.04 0.00 -1.50 0.00 0.00 33.47 30.12 2ida s TRP 77 CO -0.01 0.07 0.04 0.00 -4.62 0.00 0.00 176.95 172.44 2ida h TYR 79 N 8.11 -1.52 0.00 0.00 0.05 -0.55 0.68 116.97 123.74 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 1.08 0.65 -0.00 0.00 1.01 0.00 0.00 36.73 39.47 2ida h TYR 79 CO 0.60 -0.59 -0.02 -0.39 -1.05 0.00 0.00 178.16 176.71 2ida h VAL 80 N -0.74 0.06 0.10 -2.88 -1.51 -1.96 -2.74 116.25 106.58 2ida h VAL 80 Ca -0.00 -0.49 -0.34 0.00 -1.23 0.00 0.00 66.70 64.64 2ida h VAL 80 Cb 0.76 1.45 -0.02 0.00 -2.13 0.00 0.00 31.29 31.35 2ida h VAL 80 CO -0.30 0.02 -1.86 0.44 -1.23 0.00 0.00 177.57 174.65 2ida h ASP 81 N 0.00 0.33 -2.91 4.19 5.19 -1.75 -3.48 116.42 117.99 2ida h ASP 81 Ca -0.00 -0.68 -0.31 0.00 -0.62 0.00 0.00 57.03 55.41 2ida h ASP 81 Cb 0.45 -0.11 0.02 0.00 0.18 0.00 0.00 39.33 39.87 2ida h ASP 81 CO 0.00 1.61 -0.44 -0.62 -3.12 0.00 0.00 179.24 176.67 2ida n GLU 82 N -3.38 -2.55 -4.52 3.56 1.02 0.23 -5.02 120.64 109.98 2ida n GLU 82 Ca -0.26 0.73 -0.28 0.00 -0.02 0.00 0.00 57.16 57.33 2ida n GLU 82 Cb 1.05 -5.13 -0.13 0.00 -0.02 0.00 0.00 31.44 27.20 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 -2.91 2.12 -0.15 2.62 -7.23 -1.23 -4.98 120.40 108.63 2ida s VAL 83 Ca 0.12 -1.61 -0.03 0.00 -1.81 0.00 0.00 61.98 58.65 2ida s VAL 83 Cb -0.05 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 35.00 2ida s VAL 83 CO 0.15 0.15 -0.06 -0.32 -0.31 0.00 0.00 175.10 174.70 2ida s MET 84 N -1.78 3.57 0.41 4.82 1.75 -1.26 -2.01 119.30 124.79 2ida s MET 84 Ca 0.12 -0.57 0.07 0.00 -1.25 0.00 0.00 55.69 54.06 2ida s MET 84 Cb -0.10 -2.85 -0.08 0.00 2.84 0.00 0.00 34.83 34.64 2ida s MET 84 CO 0.05 0.20 0.00 -0.59 -0.65 0.00 0.00 175.02 174.03 2ida s PHE 85 N 0.45 2.51 0.01 4.11 -0.71 0.16 -1.72 117.98 122.80 2ida s PHE 85 Ca -0.05 -0.66 -0.21 0.00 -1.04 0.00 0.00 56.93 54.97 2ida s PHE 85 Cb -0.15 -1.75 -0.05 0.00 -1.21 0.00 0.00 43.02 39.86 2ida s PHE 85 CO 0.03 0.46 0.60 0.34 -1.34 0.00 0.00 175.22 175.32 2ida s ASP 86 N -3.70 7.00 -0.04 1.98 -1.08 -1.06 -0.71 116.67 119.06 2ida s ASP 86 Ca 0.35 1.19 0.17 0.00 -0.52 0.00 0.00 52.55 53.74 2ida s ASP 86 Cb 0.09 -2.37 0.32 0.00 -1.46 0.00 0.00 42.92 39.50 2ida s ASP 86 CO 0.18 0.11 1.14 0.18 0.52 0.00 0.00 175.17 177.30 2ida n LEU 87 N 2.63 1.08 0.00 -1.34 4.77 -0.21 -4.81 117.00 119.13 2ida n LEU 87 Ca -0.07 -2.10 0.06 0.00 -0.03 0.00 0.00 56.01 53.87 2ida n LEU 87 Cb 0.51 -0.10 0.46 0.00 -2.33 0.00 0.00 43.42 41.96 2ida n LEU 87 CO 0.44 0.58 1.16 0.77 -1.33 0.00 0.00 177.39 179.01 2ida h SER 88 N 0.70 0.41 0.02 -1.43 4.64 -1.64 0.31 113.55 116.57 2ida h SER 88 Ca -0.13 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2ida h SER 88 Cb 1.60 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 2ida h SER 88 CO 0.06 0.29 -0.11 0.47 -0.87 0.00 0.00 176.83 176.66 2ida n ASP 89 N -4.48 2.00 -0.29 4.97 8.00 -1.26 -4.13 116.55 121.35 2ida n ASP 89 Ca 0.04 -1.57 0.04 0.00 0.71 0.00 0.00 54.79 54.01 2ida n ASP 89 Cb 0.13 0.09 0.05 0.00 -0.02 0.00 0.00 41.12 41.37 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 0.40 0.59 -2.43 -1.24 1.74 -0.09 -5.09 116.66 110.54 2ida n ARG 90 Ca 0.15 -1.55 -0.35 0.00 -0.77 0.00 0.00 57.85 55.33 2ida n ARG 90 Cb 0.45 -0.88 -0.02 0.00 -1.02 0.00 0.00 32.46 30.99 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 3.74 -0.14 5.56 0.23 0.91 -4.97 119.30 123.56 2ida s MET 91 Ca 0.11 1.51 -0.29 0.00 -1.03 0.00 0.00 55.69 55.99 2ida s MET 91 Cb 0.10 -2.19 -0.03 0.00 -1.53 0.00 0.00 34.83 31.18 2ida s MET 91 CO 0.01 -0.51 1.51 0.99 -2.03 0.00 0.00 175.02 174.98 2ida s THR 92 N -1.81 3.85 0.30 3.16 2.01 -1.26 -4.98 115.64 116.93 2ida s THR 92 Ca 0.67 1.02 -0.29 0.00 0.31 0.00 0.00 61.69 63.39 2ida s THR 92 Cb -0.21 -3.72 -0.10 0.00 0.01 0.00 0.00 72.50 68.48 2ida s THR 92 CO 0.25 -0.16 1.35 -2.84 -0.69 0.00 0.00 174.62 172.53 2ida s PRO 93 N 4.03 4.33 0.29 4.92 0.02 -1.26 -4.97 135.00 142.36 2ida s PRO 93 Ca 0.66 2.24 -0.30 0.00 0.02 0.00 0.00 61.00 63.63 2ida s PRO 93 Cb -0.27 -3.08 -0.11 0.00 0.02 0.00 0.00 34.50 31.06 2ida s PRO 93 CO 0.24 -0.26 1.53 -1.01 -0.33 0.00 0.00 177.00 177.18 2ida s HIS 94 N -0.78 2.81 -1.21 6.54 3.76 -1.26 -4.91 115.29 120.24 2ida s HIS 94 Ca 0.52 0.90 0.19 0.00 -0.15 0.00 0.00 55.06 56.52 2ida s HIS 94 Cb -0.40 -3.99 0.68 0.00 1.11 0.00 0.00 32.58 29.98 2ida s HIS 94 CO 0.50 -3.24 1.59 0.27 -0.85 0.00 0.00 174.74 173.01 2ida n ASN 95 N 1.99 4.50 0.00 1.40 6.94 -1.26 -5.03 115.26 123.80 2ida n ASN 95 Ca 0.07 -2.37 0.00 0.00 -0.02 0.00 0.00 54.58 52.25 2ida n ASN 95 Cb 0.38 -0.54 0.00 0.00 -2.36 0.00 0.00 39.78 37.26 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 1.10 -0.64 3.68 4.83 0.00 -1.26 -4.97 105.19 107.93 2ida n GLY 96 Ca 0.25 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.81 4.29 -0.16 1.61 0.02 -1.26 -5.02 135.00 132.67 2ida s PRO 97 Ca 0.00 1.84 -0.15 0.00 0.02 0.00 0.00 61.00 62.71 2ida s PRO 97 Cb 0.00 -3.63 -0.04 0.00 0.02 0.00 0.00 34.50 30.84 2ida s PRO 97 CO 0.00 -0.58 0.34 0.42 -0.33 0.00 0.00 177.00 176.86 2ida s ILE 98 N 2.66 5.27 -0.23 2.83 1.01 -1.26 -4.87 121.20 126.60 2ida s ILE 98 Ca 0.60 0.65 -0.29 0.00 0.00 0.00 0.00 60.65 61.62 2ida s ILE 98 Cb -0.28 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 2ida s ILE 98 CO 0.23 0.35 1.92 -2.84 0.00 0.00 0.00 174.94 174.60 2ida s PRO 99 N 0.67 3.46 -0.21 2.79 0.02 -1.26 -4.98 135.00 135.49 2ida s PRO 99 Ca 0.19 1.82 -0.09 0.00 0.02 0.00 0.00 61.00 62.93 2ida s PRO 99 Cb -0.14 -4.22 -0.04 0.00 0.02 0.00 0.00 34.50 30.12 2ida s PRO 99 CO 0.06 -1.72 0.10 0.50 -0.33 0.00 0.00 177.00 175.62 2ida s ARG 100 N 5.54 4.00 -0.25 5.54 3.00 -1.26 -4.97 118.95 130.55 2ida s ARG 100 Ca 0.86 -0.32 -0.12 0.00 -1.00 0.00 0.00 55.73 55.15 2ida s ARG 100 Cb -0.29 -3.36 -0.15 0.00 0.00 0.00 0.00 34.95 31.15 2ida s ARG 100 CO 0.34 0.16 -0.17 0.66 0.00 0.00 0.00 175.30 176.29 2ida n TYR 101 N 3.92 0.29 1.12 5.12 4.02 -1.26 -5.12 117.16 125.24 2ida n TYR 101 Ca -0.16 0.11 0.12 0.00 -0.01 0.00 0.00 57.90 57.96 2ida n TYR 101 Cb 0.52 -1.03 0.20 0.00 -0.02 0.00 0.00 39.34 39.01 2ida n TYR 101 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18