#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eli s SER 2 N 0.00 -0.24 0.23 1.61 0.01 -1.26 -5.19 113.70 108.86 2eli s SER 2 Ca 0.00 0.17 -0.02 0.00 1.31 0.00 0.00 55.95 57.41 2eli s SER 2 Cb 0.00 0.22 -0.03 0.00 0.21 0.00 0.00 66.02 66.42 2eli s SER 2 CO 0.00 -0.29 0.23 -0.44 0.41 0.00 0.00 173.24 173.15 2eli s SER 3 N -1.55 0.32 0.25 2.44 0.01 -1.26 -5.18 113.70 108.73 2eli s SER 3 Ca 0.04 -1.36 -0.09 0.00 1.31 0.00 0.00 55.95 55.85 2eli s SER 3 Cb -0.01 0.45 -0.01 0.00 0.21 0.00 0.00 66.02 66.66 2eli s SER 3 CO -0.03 -0.94 0.41 -0.83 0.41 0.00 0.00 173.24 172.25 2eli s GLY 4 N -3.16 0.84 -0.29 3.44 0.00 -1.26 -5.17 107.32 101.71 2eli s GLY 4 Ca 0.36 -1.12 -0.17 0.00 0.00 0.00 0.00 44.72 43.79 2eli s GLY 4 CO 0.14 -0.83 0.97 -0.56 0.00 0.00 0.00 173.10 172.82 2eli s SER 5 N -3.07 -0.52 0.31 1.64 0.01 -1.26 -5.18 113.70 105.62 2eli s SER 5 Ca 0.27 0.84 0.05 0.00 1.31 0.00 0.00 55.95 58.42 2eli s SER 5 Cb 0.01 1.18 -0.03 0.00 0.21 0.00 0.00 66.02 67.39 2eli s SER 5 CO 0.11 -0.13 0.26 -0.44 0.41 0.00 0.00 173.24 173.45 2eli s SER 6 N 1.26 1.35 0.00 2.44 0.01 -1.26 -5.17 113.70 112.33 2eli s SER 6 Ca -0.08 -1.68 0.00 0.00 1.31 0.00 0.00 55.95 55.50 2eli s SER 6 Cb -0.04 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.72 2eli s SER 6 CO -0.14 -1.03 0.00 0.61 0.41 0.00 0.00 173.24 173.08 2eli n GLY 7 N -0.55 3.01 3.19 3.44 0.00 -1.26 -5.20 105.19 107.82 2eli n GLY 7 Ca 0.06 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.60 2eli n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eli n GLY 8 N 0.00 1.18 0.22 -0.02 0.00 -1.26 -5.05 105.19 100.26 2eli n GLY 8 Ca 0.00 -1.24 -0.07 0.00 0.00 0.00 0.00 46.02 44.71 2eli n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eli h PRO 9 N 0.00 0.54 -6.85 1.61 0.13 -2.04 -3.47 132.00 121.92 2eli h PRO 9 Ca -0.28 -0.28 -0.57 0.00 -0.87 0.00 0.00 66.00 64.00 2eli h PRO 9 Cb 1.05 0.01 -0.24 0.00 0.13 0.00 0.00 31.00 31.95 2eli h PRO 9 CO 0.36 0.87 -0.86 -0.25 -0.23 0.00 0.00 178.00 177.89 2eli n ASP 10 N -4.02 -2.62 -0.29 1.44 8.00 -1.26 -4.79 116.55 113.02 2eli n ASP 10 Ca -0.02 -1.07 -0.03 0.00 0.71 0.00 0.00 54.79 54.38 2eli n ASP 10 Cb 0.53 -2.48 -0.00 0.00 -0.02 0.00 0.00 41.12 39.15 2eli n ASP 10 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2eli n THR 11 N -4.32 -0.42 -3.95 -3.53 -2.24 -1.26 -3.56 114.28 94.99 2eli n THR 11 Ca 0.04 1.73 -0.34 0.00 -2.27 0.00 0.00 64.05 63.22 2eli n THR 11 Cb 0.50 -2.24 -0.14 0.00 -2.10 0.00 0.00 70.33 66.35 2eli n THR 11 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2eli s ASP 12 N -5.30 4.78 0.71 3.42 1.47 -1.26 -5.10 116.67 115.39 2eli s ASP 12 Ca -0.10 -1.38 -0.16 0.00 1.18 0.00 0.00 52.55 52.09 2eli s ASP 12 Cb 0.13 -1.67 0.03 0.00 -0.34 0.00 0.00 42.92 41.07 2eli s ASP 12 CO 0.50 -0.26 1.24 -1.81 0.68 0.00 0.00 175.17 175.52 2eli s ASP 13 N 1.22 4.23 0.41 2.11 1.11 -1.23 -4.86 116.67 119.67 2eli s ASP 13 Ca -0.05 2.46 0.20 0.00 0.18 0.00 0.00 52.55 55.35 2eli s ASP 13 Cb -0.20 -2.60 0.88 0.00 1.07 0.00 0.00 42.92 42.07 2eli s ASP 13 CO -0.03 -2.24 1.83 1.55 1.18 0.00 0.00 175.17 177.46 2eli h PRO 14 N -0.09 0.00 -0.23 8.23 0.13 -1.96 -1.85 132.00 136.23 2eli h PRO 14 Ca -0.49 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.52 2eli h PRO 14 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 2eli h PRO 14 CO 0.50 0.30 -0.32 0.00 -0.23 0.00 0.00 178.00 178.25 2eli h ARG 15 N 0.00 0.63 -0.01 0.86 3.08 -1.99 -3.23 114.38 113.72 2eli h ARG 15 Ca -0.00 -0.37 -0.22 0.00 0.07 0.00 0.00 59.98 59.46 2eli h ARG 15 Cb 0.72 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 2eli h ARG 15 CO 0.04 0.98 -0.90 0.77 -1.07 0.00 0.00 179.97 179.79 2eli h SER 16 N 0.34 0.49 -0.92 7.04 0.02 -1.82 -3.47 113.55 115.23 2eli h SER 16 Ca 0.03 -0.38 -0.44 0.00 -0.84 0.00 0.00 61.79 60.15 2eli h SER 16 Cb 0.90 -0.15 0.09 0.00 0.14 0.00 0.00 62.40 63.38 2eli h SER 16 CO 0.08 1.17 -0.51 0.29 -1.14 0.00 0.00 176.83 176.72 2eli n LYS 17 N -3.75 0.00 -2.90 3.45 4.76 -0.70 -3.62 118.16 115.39 2eli n LYS 17 Ca -0.06 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 54.98 2eli n LYS 17 Cb 0.81 -0.69 -0.05 0.00 -1.84 0.00 0.00 35.03 33.27 2eli n LYS 17 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2eli s HIS 18 N -0.92 3.75 -0.19 2.13 3.76 -1.26 -4.89 115.29 117.67 2eli s HIS 18 Ca 0.42 1.57 0.01 0.00 -0.15 0.00 0.00 55.06 56.91 2eli s HIS 18 Cb -0.54 -2.90 0.23 0.00 1.11 0.00 0.00 32.58 30.48 2eli s HIS 18 CO 0.41 0.24 1.55 1.63 -0.85 0.00 0.00 174.74 177.72 2eli n LYS 19 N 2.85 1.52 -1.68 1.40 4.76 -1.26 -4.94 118.16 120.80 2eli n LYS 19 Ca -0.01 -1.16 -0.49 0.00 -2.87 0.00 0.00 58.31 53.78 2eli n LYS 19 Cb 0.50 -1.45 -0.05 0.00 -1.84 0.00 0.00 35.03 32.19 2eli n LYS 19 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2eli n PHE 20 N 0.10 2.29 -4.38 2.13 3.72 -1.26 -3.63 117.46 116.42 2eli n PHE 20 Ca 0.23 0.08 -0.33 0.00 -0.05 0.00 0.00 57.45 57.38 2eli n PHE 20 Cb 0.83 -2.63 -0.16 0.00 -0.94 0.00 0.00 39.48 36.58 2eli n PHE 20 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2eli s LYS 21 N 3.67 3.08 -0.22 -1.08 2.47 -0.90 -4.85 119.74 121.90 2eli s LYS 21 Ca 0.92 -0.80 -0.29 0.00 -1.56 0.00 0.00 55.97 54.24 2eli s LYS 21 Cb -0.73 -2.57 -0.06 0.00 -1.46 0.00 0.00 37.83 33.01 2eli s LYS 21 CO 0.52 -0.09 2.22 1.51 0.16 0.00 0.00 175.35 179.66 2eli n ILE 22 N 4.33 0.34 -4.01 5.43 0.13 -1.26 -2.74 119.36 121.58 2eli n ILE 22 Ca -0.20 -0.44 -0.08 0.00 -1.10 0.00 0.00 62.75 60.93 2eli n ILE 22 Cb 0.51 -2.48 -0.10 0.00 -0.84 0.00 0.00 39.64 36.72 2eli n ILE 22 CO 0.00 0.00 0.00 -2.28 2.80 0.00 0.00 176.55 177.07 2eli s HIS 23 N 8.17 0.34 0.51 9.51 2.46 -1.18 -5.00 115.29 130.10 2eli s HIS 23 Ca 1.01 -0.72 -0.12 0.00 0.47 0.00 0.00 55.06 55.71 2eli s HIS 23 Cb -0.38 -0.25 -0.06 0.00 -0.13 0.00 0.00 32.58 31.76 2eli s HIS 23 CO 0.37 -0.30 0.92 0.95 -2.47 0.00 0.00 174.74 174.20 2eli s THR 24 N -2.63 4.70 0.15 0.89 -4.23 -1.26 -4.12 115.64 109.14 2eli s THR 24 Ca -0.05 0.82 0.10 0.00 -1.18 0.00 0.00 61.69 61.37 2eli s THR 24 Cb -0.01 -3.79 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 2eli s THR 24 CO -0.05 -0.81 -0.23 -0.31 -0.54 0.00 0.00 174.62 172.68 2eli s TYR 25 N -2.75 2.07 -1.43 3.99 1.51 -1.26 -5.02 117.35 114.46 2eli s TYR 25 Ca 0.54 -0.40 0.22 0.00 -1.01 0.00 0.00 57.07 56.42 2eli s TYR 25 Cb -0.10 -1.08 -0.13 0.00 -0.11 0.00 0.00 41.96 40.54 2eli s TYR 25 CO 0.40 0.34 0.98 0.41 -1.11 0.00 0.00 175.55 176.58 2eli n GLY 26 N 0.66 -0.57 3.15 0.71 0.00 -1.26 -4.96 105.19 102.92 2eli n GLY 26 Ca -0.16 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 2eli n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eli s SER 27 N -2.78 1.24 -0.81 1.61 0.01 -1.26 -5.08 113.70 106.62 2eli s SER 27 Ca 0.12 -0.83 -0.25 0.00 1.31 0.00 0.00 55.95 56.30 2eli s SER 27 Cb 0.17 0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.40 2eli s SER 27 CO 0.74 -0.32 1.92 -2.16 0.41 0.00 0.00 173.24 173.84 2eli s PRO 28 N -2.91 2.58 0.26 12.44 0.04 -1.26 -4.97 135.00 141.18 2eli s PRO 28 Ca 0.05 -0.01 -0.11 0.00 0.04 0.00 0.00 61.00 60.97 2eli s PRO 28 Cb -0.02 -4.85 -0.08 0.00 0.04 0.00 0.00 34.50 29.60 2eli s PRO 28 CO -0.01 -3.17 0.60 0.99 0.04 0.00 0.00 177.00 175.45 2eli s THR 29 N 9.75 4.86 -0.18 1.26 2.01 -1.26 -4.92 115.64 127.16 2eli s THR 29 Ca 0.69 0.61 -0.05 0.00 0.31 0.00 0.00 61.69 63.25 2eli s THR 29 Cb -0.09 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 2eli s THR 29 CO 0.06 -0.11 -0.00 -0.36 -0.69 0.00 0.00 174.62 173.52 2eli s PHE 30 N -1.87 3.08 0.97 4.92 0.40 -1.26 -0.74 117.98 123.48 2eli s PHE 30 Ca 0.49 -0.28 -0.14 0.00 -0.60 0.00 0.00 56.93 56.40 2eli s PHE 30 Cb -0.11 -2.03 -0.03 0.00 0.51 0.00 0.00 43.02 41.36 2eli s PHE 30 CO 0.20 -0.07 -0.06 0.00 0.70 0.00 0.00 175.22 175.99 2eli n ASP 32 N 0.49 2.13 0.11 0.00 2.03 -0.51 -3.43 116.55 117.36 2eli n ASP 32 Ca 0.03 -0.10 -0.04 0.00 0.52 0.00 0.00 54.79 55.20 2eli n ASP 32 Cb 0.55 -0.16 -0.02 0.00 -0.72 0.00 0.00 41.12 40.76 2eli n ASP 32 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 2eli h HIS 33 N 0.00 -0.27 0.12 -0.67 2.76 -1.93 -3.38 115.15 111.78 2eli h HIS 33 Ca -0.47 -0.01 -0.31 0.00 -2.20 0.00 0.00 60.37 57.38 2eli h HIS 33 Cb 1.78 0.09 -0.01 0.00 1.55 0.00 0.00 27.41 30.82 2eli h HIS 33 CO 0.02 -0.17 -1.59 0.00 -1.30 0.00 0.00 177.93 174.90 2eli n GLY 35 N 1.70 3.32 3.42 0.00 0.00 -1.22 -5.02 105.19 107.38 2eli n GLY 35 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 2eli n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eli n SER 36 N 0.00 -1.57 -4.74 1.61 7.64 -1.26 -3.52 113.62 111.78 2eli n SER 36 Ca 0.00 0.73 -0.41 0.00 1.01 0.00 0.00 58.87 60.20 2eli n SER 36 Cb 0.00 -1.10 -0.04 0.00 -1.01 0.00 0.00 64.21 62.06 2eli n SER 36 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2eli s LEU 37 N 1.64 4.48 -0.43 -3.43 1.98 -1.26 -0.48 118.68 121.18 2eli s LEU 37 Ca 0.66 2.08 -0.27 0.00 -2.89 0.00 0.00 54.13 53.72 2eli s LEU 37 Cb -0.46 -3.60 0.02 0.00 0.66 0.00 0.00 46.19 42.81 2eli s LEU 37 CO 0.57 -0.24 0.99 -0.76 -1.89 0.00 0.00 176.35 175.01 2eli s LEU 38 N -0.26 3.91 0.02 -0.68 1.43 0.08 -4.88 118.68 118.30 2eli s LEU 38 Ca 0.50 0.39 0.09 0.00 -1.03 0.00 0.00 54.13 54.07 2eli s LEU 38 Cb -0.29 -3.32 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 2eli s LEU 38 CO 0.34 -1.04 -0.25 -0.72 0.23 0.00 0.00 176.35 174.91 2eli s TYR 39 N 3.84 2.35 0.00 0.29 -0.85 -1.26 -4.41 117.35 117.31 2eli s TYR 39 Ca 0.40 -0.41 0.00 0.00 -0.52 0.00 0.00 57.07 56.55 2eli s TYR 39 Cb -0.10 -1.44 0.00 0.00 0.38 0.00 0.00 41.96 40.80 2eli s TYR 39 CO 0.25 0.07 0.00 0.41 -1.52 0.00 0.00 175.55 174.76 2eli n GLY 40 N 2.03 2.85 0.13 5.49 0.00 -1.26 -4.87 105.19 109.56 2eli n GLY 40 Ca -0.17 -1.13 -0.22 0.00 0.00 0.00 0.00 46.02 44.50 2eli n GLY 40 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2eli h LEU 41 N 0.00 0.39 -8.09 0.99 -0.00 -1.99 -3.46 115.31 103.15 2eli h LEU 41 Ca 0.00 -0.88 -0.21 0.00 -0.00 0.00 0.00 57.88 56.79 2eli h LEU 41 Cb 0.00 -0.13 -0.20 0.00 -0.00 0.00 0.00 40.66 40.33 2eli h LEU 41 CO 0.00 1.76 -0.71 -0.51 -0.00 0.00 0.00 178.44 178.98 2eli s ILE 42 N -2.52 0.31 -1.48 1.22 2.07 -1.26 -4.86 121.20 114.68 2eli s ILE 42 Ca -0.22 -1.07 -0.09 0.00 -1.41 0.00 0.00 60.65 57.86 2eli s ILE 42 Cb 0.06 -0.53 0.06 0.00 0.13 0.00 0.00 42.46 42.18 2eli s ILE 42 CO 0.76 -0.50 0.81 1.41 -1.91 0.00 0.00 174.94 175.51 2eli n HIS 43 N 1.39 -2.04 0.11 3.50 8.25 -1.26 -4.88 115.22 120.30 2eli n HIS 43 Ca -0.22 0.85 -0.13 0.00 -0.26 0.00 0.00 57.72 57.96 2eli n HIS 43 Cb 0.55 -3.91 -0.07 0.00 1.12 0.00 0.00 29.99 27.68 2eli n HIS 43 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2eli h GLN 44 N -1.92 -0.23 0.00 -0.41 7.50 -1.88 -3.46 115.11 114.70 2eli h GLN 44 Ca -0.60 0.02 -0.09 0.00 0.50 0.00 0.00 58.65 58.48 2eli h GLN 44 Cb 1.37 0.05 -0.02 0.00 0.05 0.00 0.00 27.48 28.94 2eli h GLN 44 CO 0.65 -0.16 -0.06 0.41 -1.50 0.00 0.00 178.83 178.18 2eli n GLY 45 N -1.21 3.03 3.42 3.46 0.00 -1.26 -4.40 105.19 108.22 2eli n GLY 45 Ca -0.08 -1.49 -0.27 0.00 0.00 0.00 0.00 46.02 44.18 2eli n GLY 45 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2eli s MET 46 N -2.24 1.51 -0.08 1.61 -1.94 0.02 -3.09 119.30 115.09 2eli s MET 46 Ca 0.08 -1.53 -0.01 0.00 -1.71 0.00 0.00 55.69 52.53 2eli s MET 46 Cb -0.00 -1.83 0.03 0.00 2.01 0.00 0.00 34.83 35.03 2eli s MET 46 CO 0.06 0.40 -0.02 0.21 -0.01 0.00 0.00 175.02 175.65 2eli s LYS 47 N -2.69 0.85 1.10 2.03 2.47 -1.11 -2.84 119.74 119.57 2eli s LYS 47 Ca 0.21 -0.01 -0.12 0.00 -1.56 0.00 0.00 55.97 54.49 2eli s LYS 47 Cb -0.08 -1.10 0.25 0.00 -1.46 0.00 0.00 37.83 35.44 2eli s LYS 47 CO 0.10 -0.26 1.05 0.00 0.16 0.00 0.00 175.35 176.40 2eli n ASP 49 N -4.67 1.01 -0.11 0.00 9.92 -1.24 -2.93 116.55 118.53 2eli n ASP 49 Ca 0.04 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.16 2eli n ASP 49 Cb 0.55 1.57 -0.11 0.00 -0.64 0.00 0.00 41.12 42.48 2eli n ASP 49 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 2eli n THR 50 N -2.23 1.28 0.27 -3.53 5.66 -1.26 -4.59 114.28 109.88 2eli n THR 50 Ca -0.09 -0.56 0.03 0.00 -3.05 0.00 0.00 64.05 60.38 2eli n THR 50 Cb 0.60 -1.11 0.01 0.00 -1.55 0.00 0.00 70.33 68.28 2eli n THR 50 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2eli n ASP 52 N -0.07 -0.84 -4.78 0.00 5.75 -1.15 -4.83 116.55 110.63 2eli n ASP 52 Ca 0.03 -0.71 -0.39 0.00 -0.01 0.00 0.00 54.79 53.72 2eli n ASP 52 Cb 0.14 -0.87 -0.06 0.00 -1.03 0.00 0.00 41.12 39.31 2eli n ASP 52 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 2eli s MET 53 N -5.88 4.25 -0.23 0.11 1.75 -1.26 -4.61 119.30 113.42 2eli s MET 53 Ca 0.14 0.67 -0.22 0.00 -1.25 0.00 0.00 55.69 55.02 2eli s MET 53 Cb -0.08 -3.31 -0.01 0.00 2.84 0.00 0.00 34.83 34.27 2eli s MET 53 CO 0.54 0.45 0.71 -0.80 -0.65 0.00 0.00 175.02 175.27 2eli s ASN 54 N -0.43 6.71 0.21 1.11 0.01 -1.26 -3.49 114.94 117.80 2eli s ASN 54 Ca 0.29 0.87 -0.14 0.00 -0.71 0.00 0.00 52.86 53.18 2eli s ASN 54 Cb -0.18 -2.38 0.01 0.00 0.41 0.00 0.00 41.25 39.11 2eli s ASN 54 CO 0.16 -0.41 0.45 0.68 -1.51 0.00 0.00 177.10 176.48 2eli s VAL 55 N 2.50 0.03 0.50 1.60 -7.23 -1.13 -1.43 120.40 115.23 2eli s VAL 55 Ca 0.30 -1.16 -0.20 0.00 -1.81 0.00 0.00 61.98 59.11 2eli s VAL 55 Cb -0.16 -1.87 -0.08 0.00 0.56 0.00 0.00 36.38 34.83 2eli s VAL 55 CO 0.09 -0.12 1.04 -1.00 -0.31 0.00 0.00 175.10 174.80 2eli s HIS 56 N -3.95 2.99 0.57 2.82 3.76 -1.26 -0.80 115.29 119.41 2eli s HIS 56 Ca 0.16 1.57 0.25 0.00 -0.15 0.00 0.00 55.06 56.89 2eli s HIS 56 Cb 0.00 -3.07 1.59 0.00 1.11 0.00 0.00 32.58 32.21 2eli s HIS 56 CO 0.02 -0.88 2.15 -0.22 -0.85 0.00 0.00 174.74 174.97 2eli h LYS 57 N 1.44 0.00 0.00 1.40 3.11 -1.89 -0.88 116.57 119.75 2eli h LYS 57 Ca -0.49 0.00 -0.18 0.00 -2.81 0.00 0.00 60.65 57.16 2eli h LYS 57 Cb 1.22 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.42 2eli h LYS 57 CO 0.59 0.00 -1.69 0.00 -2.81 0.00 0.00 179.45 175.54 2eli n GLN 58 N -4.06 0.64 0.16 1.90 10.64 -1.26 -4.10 117.38 121.30 2eli n GLN 58 Ca -0.00 0.12 0.00 0.00 -1.83 0.00 0.00 57.00 55.29 2eli n GLN 58 Cb 0.22 -1.71 0.25 0.00 -0.86 0.00 0.00 30.24 28.14 2eli n GLN 58 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2eli h VAL 60 N 0.01 0.42 -0.03 0.00 -1.51 -1.47 0.93 116.25 114.60 2eli h VAL 60 Ca -0.00 -0.13 -0.05 0.00 -1.23 0.00 0.00 66.70 65.29 2eli h VAL 60 Cb 0.89 0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 30.05 2eli h VAL 60 CO 0.07 0.07 -0.22 -0.29 -1.23 0.00 0.00 177.57 175.97 2eli h ILE 61 N 0.38 1.17 0.03 7.19 2.10 -1.79 -2.90 117.51 123.68 2eli h ILE 61 Ca 0.67 -0.80 -0.18 0.00 1.08 0.00 0.00 64.86 65.63 2eli h ILE 61 Cb 1.63 1.40 0.02 0.00 -1.09 0.00 0.00 36.82 38.77 2eli h ILE 61 CO -0.43 0.23 -0.73 0.78 -1.08 0.00 0.00 178.15 176.92 2eli h ASN 62 N 0.04 0.59 -2.37 2.19 -0.26 0.70 -3.45 115.58 113.02 2eli h ASN 62 Ca 0.01 -0.79 -0.57 0.00 -0.56 0.00 0.00 56.30 54.39 2eli h ASN 62 Cb 0.41 -0.18 0.06 0.00 -1.06 0.00 0.00 38.32 37.54 2eli h ASN 62 CO 0.03 1.31 0.87 0.52 -1.06 0.00 0.00 177.43 179.10 2eli n VAL 63 N -4.13 0.03 -2.20 2.81 0.31 -0.65 -4.92 118.33 109.59 2eli n VAL 63 Ca -0.11 -0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.79 2eli n VAL 63 Cb 0.74 -1.68 -0.03 0.00 -0.91 0.00 0.00 33.84 31.96 2eli n VAL 63 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2eli s PRO 64 N 1.11 4.32 0.53 5.55 0.04 -1.26 -4.85 135.00 140.44 2eli s PRO 64 Ca 0.78 2.03 0.31 0.00 0.04 0.00 0.00 61.00 64.16 2eli s PRO 64 Cb -0.63 -3.35 1.06 0.00 0.04 0.00 0.00 34.50 31.62 2eli s PRO 64 CO 0.37 -0.46 1.23 -1.13 0.04 0.00 0.00 177.00 177.05 2eli n SER 65 N 4.34 0.00 -4.39 6.66 3.41 -1.26 -4.43 113.62 117.95 2eli n SER 65 Ca 0.12 0.75 -0.50 0.00 -0.26 0.00 0.00 58.87 58.97 2eli n SER 65 Cb 0.43 -0.30 -0.11 0.00 -0.26 0.00 0.00 64.21 63.96 2eli n SER 65 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2eli n LEU 66 N -3.26 1.03 -3.92 1.04 7.99 -1.26 -3.82 117.00 114.80 2eli n LEU 66 Ca 0.27 0.38 -0.09 0.00 -0.01 0.00 0.00 56.01 56.56 2eli n LEU 66 Cb 1.52 -1.04 -0.09 0.00 -0.11 0.00 0.00 43.42 43.70 2eli n LEU 66 CO 0.27 -0.81 -0.18 0.00 -1.51 0.00 0.00 177.39 175.16 2eli n GLY 68 N 0.44 1.06 0.12 0.00 0.00 -1.26 -4.80 105.19 100.75 2eli n GLY 68 Ca -0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 2eli n GLY 68 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2eli n MET 69 N -0.06 0.69 -3.88 1.61 0.00 -1.26 -4.99 117.12 109.23 2eli n MET 69 Ca 0.00 0.20 -0.29 0.00 0.00 0.00 0.00 57.70 57.60 2eli n MET 69 Cb 0.00 -1.65 0.03 0.00 0.00 0.00 0.00 33.22 31.60 2eli n MET 69 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2eli n ASP 70 N -3.21 -4.64 -4.56 7.83 2.03 -1.26 -4.82 116.55 107.92 2eli n ASP 70 Ca -0.33 -0.77 -0.25 0.00 0.52 0.00 0.00 54.79 53.97 2eli n ASP 70 Cb 1.05 -3.97 -0.05 0.00 -0.72 0.00 0.00 41.12 37.43 2eli n ASP 70 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 2eli s HIS 71 N -3.33 1.55 0.66 -0.67 -3.43 -1.26 -4.94 115.29 103.87 2eli s HIS 71 Ca 0.61 1.10 -0.10 0.00 -0.80 0.00 0.00 55.06 55.87 2eli s HIS 71 Cb -0.30 -3.85 0.00 0.00 -1.43 0.00 0.00 32.58 27.01 2eli s HIS 71 CO 0.82 -1.81 1.03 -0.08 -2.00 0.00 0.00 174.74 172.71 2eli s THR 72 N 11.46 3.72 -0.20 -5.38 -1.32 -1.26 -4.95 115.64 117.72 2eli s THR 72 Ca 0.78 0.40 -0.02 0.00 -1.21 0.00 0.00 61.69 61.64 2eli s THR 72 Cb -0.10 -3.53 0.03 0.00 -1.51 0.00 0.00 72.50 67.39 2eli s THR 72 CO 0.06 -0.66 2.49 -0.62 -2.21 0.00 0.00 174.62 173.68 2eli n GLU 73 N -2.85 1.76 -4.02 7.08 -0.58 -1.26 -4.80 120.64 115.97 2eli n GLU 73 Ca 0.06 -1.20 -0.31 0.00 -0.42 0.00 0.00 57.16 55.29 2eli n GLU 73 Cb 0.57 -1.64 -0.16 0.00 -0.57 0.00 0.00 31.44 29.64 2eli n GLU 73 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2eli s LYS 74 N -0.75 2.15 0.16 3.49 2.36 -1.26 -5.12 119.74 120.77 2eli s LYS 74 Ca 0.36 -0.92 0.08 0.00 -2.55 0.00 0.00 55.97 52.93 2eli s LYS 74 Cb 0.22 -2.51 -0.04 0.00 -1.05 0.00 0.00 37.83 34.45 2eli s LYS 74 CO -0.05 -0.43 -0.06 -0.98 1.55 0.00 0.00 175.35 175.38 2eli s ARG 75 N 1.34 2.19 -0.14 4.03 1.70 -1.26 -5.13 118.95 121.68 2eli s ARG 75 Ca -0.02 -1.16 -0.31 0.00 -0.47 0.00 0.00 55.73 53.77 2eli s ARG 75 Cb -0.17 -2.26 0.13 0.00 -0.57 0.00 0.00 34.95 32.09 2eli s ARG 75 CO -0.08 0.46 1.07 0.20 -1.08 0.00 0.00 175.30 175.86 2eli s GLY 76 N -2.75 -0.29 0.28 3.88 0.00 -1.26 -5.15 107.32 102.03 2eli s GLY 76 Ca 0.25 1.70 -0.29 0.00 0.00 0.00 0.00 44.72 46.37 2eli s GLY 76 CO 0.16 0.69 1.28 -1.60 0.00 0.00 0.00 173.10 173.63 2eli s ARG 77 N -2.07 4.41 -0.18 2.90 3.00 -1.26 -4.95 118.95 120.81 2eli s ARG 77 Ca 0.05 2.11 0.20 0.00 -1.00 0.00 0.00 55.73 57.08 2eli s ARG 77 Cb -0.01 -3.13 0.47 0.00 0.00 0.00 0.00 34.95 32.28 2eli s ARG 77 CO -0.04 -0.15 1.16 -0.89 0.00 0.00 0.00 175.30 175.37 2eli n ILE 78 N 1.46 1.19 -3.67 4.11 5.41 -1.26 -5.04 119.36 121.56 2eli n ILE 78 Ca 0.02 -2.56 -0.08 0.00 1.00 0.00 0.00 62.75 61.13 2eli n ILE 78 Cb 0.42 0.63 -0.09 0.00 -0.71 0.00 0.00 39.64 39.90 2eli n ILE 78 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 2eli s TYR 79 N -2.51 -0.87 0.29 1.39 1.13 -1.26 -5.17 117.35 110.35 2eli s TYR 79 Ca 0.34 1.70 0.10 0.00 -1.41 0.00 0.00 57.07 57.80 2eli s TYR 79 Cb 0.36 0.44 -0.05 0.00 -1.10 0.00 0.00 41.96 41.62 2eli s TYR 79 CO -0.07 -0.47 -0.01 -1.17 -2.51 0.00 0.00 175.55 171.32 2eli s LEU 80 N 1.98 3.09 0.21 -3.49 2.96 -1.26 -5.15 118.68 117.01 2eli s LEU 80 Ca -0.07 -0.77 -0.09 0.00 -0.22 0.00 0.00 54.13 52.98 2eli s LEU 80 Cb -0.09 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 2eli s LEU 80 CO -0.15 -0.06 0.34 -0.75 -1.32 0.00 0.00 176.35 174.40 2eli s LYS 81 N -3.68 1.33 -0.34 1.98 2.47 -1.26 -4.96 119.74 115.28 2eli s LYS 81 Ca 0.32 -1.29 -0.01 0.00 -1.56 0.00 0.00 55.97 53.44 2eli s LYS 81 Cb -0.05 0.40 0.00 0.00 -1.46 0.00 0.00 37.83 36.72 2eli s LYS 81 CO 0.19 -0.51 0.29 0.00 0.16 0.00 0.00 175.35 175.48 2eli n ALA 82 N -0.30 -0.51 -0.77 3.13 0.00 -1.26 -5.04 120.51 115.76 2eli n ALA 82 Ca -0.03 0.01 -0.18 0.00 0.00 0.00 0.00 53.44 53.25 2eli n ALA 82 Cb 0.63 -1.22 0.25 0.00 0.00 0.00 0.00 19.45 19.11 2eli n ALA 82 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2eli n GLU 83 N -1.84 -3.64 -3.71 0.00 0.28 -1.26 -5.08 120.64 105.38 2eli n GLU 83 Ca -0.06 -1.53 -0.13 0.00 -0.16 0.00 0.00 57.16 55.28 2eli n GLU 83 Cb 0.54 -1.61 -0.07 0.00 1.43 0.00 0.00 31.44 31.72 2eli n GLU 83 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2eli s VAL 84 N -2.54 0.06 -2.72 3.84 0.11 -1.26 -5.32 120.40 112.57 2eli s VAL 84 Ca 0.65 -0.49 0.22 0.00 -2.93 0.00 0.00 61.98 59.42 2eli s VAL 84 Cb -0.08 -0.83 0.17 0.00 -1.53 0.00 0.00 36.38 34.11 2eli s VAL 84 CO 0.51 -0.27 1.19 0.00 -3.33 0.00 0.00 175.10 173.20