#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1taf s LEU 2 N 0.00 4.36 0.20 4.03 1.43 -1.26 -5.10 118.68 122.33 1taf s LEU 2 Ca 0.00 0.48 0.02 0.00 -1.03 0.00 0.00 54.13 53.61 1taf s LEU 2 Cb 0.00 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 1taf s LEU 2 CO 0.00 0.34 0.35 -0.31 0.23 0.00 0.00 176.35 176.95 1taf s TYR 3 N -0.67 3.48 0.00 0.29 2.02 -1.26 -4.97 117.35 116.23 1taf s TYR 3 Ca 0.15 0.15 0.00 0.00 -0.37 0.00 0.00 57.07 56.99 1taf s TYR 3 Cb -0.12 -1.70 0.00 0.00 -0.40 0.00 0.00 41.96 39.74 1taf s TYR 3 CO 0.04 0.44 0.00 0.41 -1.57 0.00 0.00 175.55 174.87 1taf n GLY 4 N -0.88 -1.87 3.87 0.71 0.00 -1.26 -4.93 105.19 100.83 1taf n GLY 4 Ca -0.07 -1.47 -0.30 0.00 0.00 0.00 0.00 46.02 44.18 1taf n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1taf s SER 5 N -4.00 6.34 -0.01 1.61 0.01 -1.26 -5.10 113.70 111.29 1taf s SER 5 Ca 0.00 1.29 -0.21 0.00 1.31 0.00 0.00 55.95 58.34 1taf s SER 5 Cb 0.00 -2.40 0.04 0.00 0.21 0.00 0.00 66.02 63.87 1taf s SER 5 CO 0.00 -0.69 0.46 -0.94 0.41 0.00 0.00 173.24 172.48 1taf s SER 6 N -3.85 -0.37 0.36 2.44 1.04 -1.26 -4.99 113.70 107.06 1taf s SER 6 Ca 0.53 0.27 -0.28 0.00 0.48 0.00 0.00 55.95 56.96 1taf s SER 6 Cb -0.11 0.42 -0.10 0.00 0.10 0.00 0.00 66.02 66.33 1taf s SER 6 CO 0.45 -0.56 1.33 -0.63 0.98 0.00 0.00 173.24 174.81 1taf s ILE 7 N -1.59 2.60 0.57 -1.02 -1.09 -1.26 -4.99 121.20 114.42 1taf s ILE 7 Ca -0.11 0.58 -0.17 0.00 -2.23 0.00 0.00 60.65 58.73 1taf s ILE 7 Cb -0.02 -3.36 -0.05 0.00 -1.58 0.00 0.00 42.46 37.44 1taf s ILE 7 CO 0.04 0.12 1.06 -0.94 -1.23 0.00 0.00 174.94 174.00 1taf s SER 8 N -0.53 5.87 0.47 3.58 1.04 -1.26 -4.63 113.70 118.23 1taf s SER 8 Ca 0.52 1.90 0.21 0.00 0.48 0.00 0.00 55.95 59.06 1taf s SER 8 Cb -0.40 -2.55 1.15 0.00 0.10 0.00 0.00 66.02 64.32 1taf s SER 8 CO 0.53 -1.11 1.98 0.00 0.98 0.00 0.00 173.24 175.62 1taf h ALA 9 N 0.78 1.39 -0.62 5.32 0.00 -1.93 -2.54 119.26 121.67 1taf h ALA 9 Ca -0.48 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.20 1taf h ALA 9 Cb 1.23 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1taf h ALA 9 CO 0.57 0.25 0.19 1.49 0.00 0.00 0.00 179.25 181.75 1taf h GLU 10 N 0.00 0.94 0.00 0.00 4.57 -1.91 -2.40 114.58 115.78 1taf h GLU 10 Ca -0.00 -0.18 -0.03 0.00 -1.18 0.00 0.00 59.36 57.97 1taf h GLU 10 Cb 0.43 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1taf h GLU 10 CO 0.03 0.81 -0.14 0.77 -1.18 0.00 0.00 179.01 179.30 1taf h SER 11 N 0.91 0.00 0.09 1.04 0.02 -1.84 -1.70 113.55 112.07 1taf h SER 11 Ca 0.20 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.04 1taf h SER 11 Cb 0.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1taf h SER 11 CO -0.01 0.14 -0.38 0.24 -1.14 0.00 0.00 176.83 175.68 1taf h MET 12 N 0.00 0.39 -0.36 3.45 2.86 -1.49 -2.47 114.93 117.31 1taf h MET 12 Ca -0.00 -0.18 -0.06 0.00 -2.06 0.00 0.00 59.70 57.40 1taf h MET 12 Cb 0.26 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1taf h MET 12 CO 0.02 0.72 -0.01 0.87 1.06 0.00 0.00 176.91 179.57 1taf h LYS 13 N 0.33 0.65 -0.49 1.72 1.79 -1.28 -1.32 116.57 117.97 1taf h LYS 13 Ca 0.03 -0.21 -0.02 0.00 -2.18 0.00 0.00 60.65 58.28 1taf h LYS 13 Cb 0.82 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.39 1taf h LYS 13 CO 0.07 0.76 0.24 0.28 -1.08 0.00 0.00 179.45 179.72 1taf h VAL 14 N 0.46 1.19 -0.77 0.50 2.07 -1.39 -1.87 116.25 116.44 1taf h VAL 14 Ca 0.10 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 1taf h VAL 14 Cb 0.47 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1taf h VAL 14 CO 0.02 0.21 0.37 0.40 0.02 0.00 0.00 177.57 178.58 1taf h ILE 15 N 0.65 1.25 -0.92 4.57 2.04 -1.36 -2.07 117.51 121.67 1taf h ILE 15 Ca 0.17 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.35 1taf h ILE 15 Cb 0.11 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 36.42 1taf h ILE 15 CO -0.02 0.29 0.61 0.00 0.00 0.00 0.00 178.15 179.03 1taf h ALA 16 N 1.19 1.17 -0.34 1.87 0.00 -0.81 -2.34 119.26 120.00 1taf h ALA 16 Ca 0.26 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 1taf h ALA 16 Cb 0.12 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1taf h ALA 16 CO -0.03 0.56 -0.36 0.93 0.00 0.00 0.00 179.25 180.34 1taf h GLU 17 N 1.24 0.78 0.00 0.00 5.08 -1.09 -2.22 114.58 118.37 1taf h GLU 17 Ca 0.34 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1taf h GLU 17 Cb -0.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 1taf h GLU 17 CO -0.08 1.01 -0.03 0.77 -1.00 0.00 0.00 179.01 179.68 1taf h SER 18 N 0.64 0.00 -0.11 1.42 0.02 -0.85 -2.51 113.55 112.17 1taf h SER 18 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1taf h SER 18 Cb 0.91 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1taf h SER 18 CO 0.08 0.03 0.00 2.30 -1.14 0.00 0.00 176.83 178.11 1taf n ILE 19 N -3.28 0.25 -1.32 3.27 -5.35 -1.03 -5.01 119.36 106.88 1taf n ILE 19 Ca -0.02 -0.62 -0.08 0.00 -0.27 0.00 0.00 62.75 61.76 1taf n ILE 19 Cb 0.18 1.06 -0.03 0.00 -1.74 0.00 0.00 39.64 39.12 1taf n ILE 19 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1taf n GLY 20 N 0.66 0.89 0.27 3.28 0.00 -0.88 -4.92 105.19 104.49 1taf n GLY 20 Ca 0.08 -0.68 0.13 0.00 0.00 0.00 0.00 46.02 45.56 1taf n GLY 20 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1taf n VAL 21 N -2.90 0.03 -2.84 1.61 0.24 -0.96 -5.04 118.33 108.48 1taf n VAL 21 Ca -0.08 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 1taf n VAL 21 Cb 0.29 0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 1taf n VAL 21 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1taf n GLY 22 N 1.06 -1.85 3.81 7.63 0.00 -1.26 -4.95 105.19 109.64 1taf n GLY 22 Ca 0.19 -1.57 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 1taf n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1taf s SER 23 N -4.00 6.20 0.02 1.61 0.01 -1.26 -4.48 113.70 111.80 1taf s SER 23 Ca 0.00 1.76 0.07 0.00 1.31 0.00 0.00 55.95 59.08 1taf s SER 23 Cb 0.00 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.67 1taf s SER 23 CO 0.00 -0.88 -0.18 -0.76 0.41 0.00 0.00 173.24 171.83 1taf s LEU 24 N -4.12 2.57 0.65 2.44 1.43 -1.26 -5.11 118.68 115.28 1taf s LEU 24 Ca 0.63 -0.40 -0.16 0.00 -1.03 0.00 0.00 54.13 53.18 1taf s LEU 24 Cb -0.14 -1.50 -0.00 0.00 0.03 0.00 0.00 46.19 44.57 1taf s LEU 24 CO 0.31 0.28 1.13 -0.44 0.23 0.00 0.00 176.35 177.85 1taf s SER 25 N -1.25 5.07 0.25 2.29 0.01 -1.26 -4.83 113.70 113.97 1taf s SER 25 Ca 0.14 2.07 -0.06 0.00 1.31 0.00 0.00 55.95 59.41 1taf s SER 25 Cb -0.10 -2.56 0.26 0.00 0.21 0.00 0.00 66.02 63.82 1taf s SER 25 CO 0.04 -1.66 1.90 0.44 0.41 0.00 0.00 173.24 174.37 1taf h ASP 26 N 0.15 1.13 0.07 2.44 3.32 -1.99 -1.56 116.42 119.98 1taf h ASP 26 Ca -0.47 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 56.44 1taf h ASP 26 Cb 1.26 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 1taf h ASP 26 CO 0.54 0.85 -0.26 -2.24 -1.72 0.00 0.00 179.24 176.41 1taf h ASP 27 N 1.31 0.31 -0.18 6.45 3.04 -1.99 -1.50 116.42 123.85 1taf h ASP 27 Ca 0.34 -0.10 -0.07 0.00 -3.24 0.00 0.00 57.03 53.97 1taf h ASP 27 Cb -0.08 -0.08 -0.00 0.00 -1.04 0.00 0.00 39.33 38.12 1taf h ASP 27 CO -0.07 0.58 -0.14 0.00 -2.04 0.00 0.00 179.24 177.57 1taf h ALA 28 N 1.45 0.26 -0.69 4.15 0.00 -1.78 -1.39 119.26 121.27 1taf h ALA 28 Ca 0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1taf h ALA 28 Cb 0.61 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1taf h ALA 28 CO 0.04 0.14 0.26 0.00 0.00 0.00 0.00 179.25 179.69 1taf h ALA 29 N 0.65 0.89 -0.61 0.00 0.00 -1.18 -1.66 119.26 117.36 1taf h ALA 29 Ca 0.03 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1taf h ALA 29 Cb 0.66 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1taf h ALA 29 CO 0.04 0.52 0.18 0.87 0.00 0.00 0.00 179.25 180.86 1taf h LYS 30 N 0.98 0.96 -0.20 0.00 1.79 -1.24 -0.65 116.57 118.21 1taf h LYS 30 Ca 0.23 -0.21 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1taf h LYS 30 Cb 0.23 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 1taf h LYS 30 CO -0.02 0.86 0.09 1.49 -1.08 0.00 0.00 179.45 180.79 1taf h GLU 31 N 0.88 0.30 -0.71 3.15 4.57 -1.01 -1.51 114.58 120.25 1taf h GLU 31 Ca 0.20 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.30 1taf h GLU 31 Cb 0.31 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 1taf h GLU 31 CO -0.00 0.35 0.33 -0.07 -1.18 0.00 0.00 179.01 178.43 1taf h LEU 32 N 0.19 0.94 -1.01 1.64 3.38 -1.19 0.10 115.31 119.36 1taf h LEU 32 Ca 0.07 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1taf h LEU 32 Cb 0.15 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1taf h LEU 32 CO -0.01 0.82 0.14 0.00 0.09 0.00 0.00 178.44 179.48 1taf h ALA 33 N 1.16 1.20 -0.08 1.53 0.00 -1.01 0.25 119.26 122.31 1taf h ALA 33 Ca 0.24 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1taf h ALA 33 Cb 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1taf h ALA 33 CO -0.03 0.55 -0.14 1.49 0.00 0.00 0.00 179.25 181.12 1taf h GLU 34 N 0.82 0.24 -0.34 0.00 4.81 -0.86 -2.52 114.58 116.73 1taf h GLU 34 Ca 0.18 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1taf h GLU 34 Cb 0.29 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1taf h GLU 34 CO -0.00 0.73 0.21 -0.44 -0.73 0.00 0.00 179.01 178.78 1taf h ASP 35 N -0.23 0.35 0.02 1.04 3.32 -0.64 -1.22 116.42 119.06 1taf h ASP 35 Ca 0.00 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1taf h ASP 35 Cb 0.72 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1taf h ASP 35 CO 0.03 0.25 -0.19 1.62 -1.72 0.00 0.00 179.24 179.24 1taf h VAL 36 N 0.43 1.22 -0.31 -1.35 3.04 -1.01 -1.32 116.25 116.95 1taf h VAL 36 Ca 0.13 -1.00 -0.12 0.00 -1.01 0.00 0.00 66.70 64.69 1taf h VAL 36 Cb -0.02 1.29 -0.01 0.00 -2.01 0.00 0.00 31.29 30.54 1taf h VAL 36 CO -0.05 0.31 -0.31 0.28 -1.01 0.00 0.00 177.57 176.79 1taf h SER 37 N 0.29 0.68 -0.57 3.17 0.02 -1.09 0.86 113.55 116.91 1taf h SER 37 Ca 0.05 -0.27 -0.11 0.00 -0.84 0.00 0.00 61.79 60.62 1taf h SER 37 Cb 0.50 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 1taf h SER 37 CO 0.03 0.94 -0.07 0.40 -1.14 0.00 0.00 176.83 176.99 1taf h ILE 38 N 0.56 1.27 -0.45 3.27 2.04 -0.70 -2.08 117.51 121.42 1taf h ILE 38 Ca 0.06 -1.24 -0.05 0.00 1.00 0.00 0.00 64.86 64.64 1taf h ILE 38 Cb 0.81 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1taf h ILE 38 CO 0.07 0.44 0.07 0.11 0.00 0.00 0.00 178.15 178.84 1taf h LYS 39 N 0.94 0.74 -0.63 2.37 1.79 -0.92 -2.18 116.57 118.68 1taf h LYS 39 Ca 0.15 -0.20 0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1taf h LYS 39 Cb 0.64 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.17 1taf h LYS 39 CO 0.04 0.76 0.41 -0.07 -1.08 0.00 0.00 179.45 179.52 1taf h LEU 40 N 0.60 0.69 -0.80 2.94 3.38 -0.68 -0.19 115.31 121.25 1taf h LEU 40 Ca 0.14 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1taf h LEU 40 Cb 0.38 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1taf h LEU 40 CO 0.01 0.49 0.13 0.11 0.09 0.00 0.00 178.44 179.27 1taf h LYS 41 N 0.82 1.04 -0.34 1.13 1.57 -1.26 -0.92 116.57 118.61 1taf h LYS 41 Ca 0.24 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1taf h LYS 41 Cb -0.05 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1taf h LYS 41 CO -0.07 0.94 0.04 0.00 -0.57 0.00 0.00 179.45 179.79 1taf h ARG 42 N 0.98 0.57 -0.23 3.15 3.08 -0.95 0.04 114.38 121.02 1taf h ARG 42 Ca 0.20 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1taf h ARG 42 Cb 0.38 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1taf h ARG 42 CO 0.01 0.66 0.14 0.82 -1.07 0.00 0.00 179.97 180.53 1taf h ILE 43 N 0.40 1.10 -0.48 2.04 2.04 -0.83 -0.92 117.51 120.87 1taf h ILE 43 Ca 0.10 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 1taf h ILE 43 Cb 0.38 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1taf h ILE 43 CO 0.01 0.09 0.15 0.58 0.00 0.00 0.00 178.15 178.98 1taf h VAL 44 N 0.28 1.23 -0.05 1.67 2.07 -1.11 -0.91 116.25 119.42 1taf h VAL 44 Ca 0.08 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1taf h VAL 44 Cb 0.03 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1taf h VAL 44 CO -0.01 0.27 0.03 -0.61 0.02 0.00 0.00 177.57 177.27 1taf h GLN 45 N 0.64 0.06 -0.68 1.57 5.75 -0.82 -0.18 115.11 121.45 1taf h GLN 45 Ca 0.15 -0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.58 1taf h GLN 45 Cb 0.27 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 1taf h GLN 45 CO -0.00 0.04 0.16 -0.44 -2.65 0.00 0.00 178.83 175.93 1taf h ASP 46 N 0.06 1.02 -0.60 -0.69 3.32 -1.08 -1.55 116.42 116.90 1taf h ASP 46 Ca 0.02 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 1taf h ASP 46 Cb -0.00 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 1taf h ASP 46 CO -0.01 0.98 0.35 0.00 -1.72 0.00 0.00 179.24 178.84 1taf h ALA 47 N 1.14 0.76 -0.08 3.45 0.00 -0.94 -1.08 119.26 122.51 1taf h ALA 47 Ca 0.21 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1taf h ALA 47 Cb 0.36 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1taf h ALA 47 CO 0.00 0.25 -0.26 0.00 0.00 0.00 0.00 179.25 179.24 1taf h ALA 48 N 1.18 1.43 -0.41 0.00 0.00 -0.67 -0.26 119.26 120.53 1taf h ALA 48 Ca 0.21 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1taf h ALA 48 Cb -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1taf h ALA 48 CO -0.04 0.41 -0.23 0.87 0.00 0.00 0.00 179.25 180.27 1taf h LYS 49 N 0.12 0.88 -0.36 0.00 1.79 -0.67 -1.17 116.57 117.17 1taf h LYS 49 Ca 0.02 -0.40 -0.03 0.00 -2.18 0.00 0.00 60.65 58.06 1taf h LYS 49 Cb 0.53 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 1taf h LYS 49 CO 0.04 1.04 0.10 0.74 -1.08 0.00 0.00 179.45 180.29 1taf h PHE 50 N 0.70 0.59 0.09 -1.35 0.04 -0.72 -0.02 116.94 116.26 1taf h PHE 50 Ca 0.09 -0.06 0.02 0.00 2.80 0.00 0.00 57.97 60.82 1taf h PHE 50 Cb 0.79 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 38.74 1taf h PHE 50 CO 0.06 0.57 -0.26 1.98 -0.60 0.00 0.00 178.31 180.06 1taf h MET 51 N 0.43 -0.44 -0.83 1.51 4.05 -0.95 -2.24 114.93 116.46 1taf h MET 51 Ca 0.11 0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.53 1taf h MET 51 Cb 0.27 0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.13 1taf h MET 51 CO -0.00 -0.29 0.40 -0.91 0.23 0.00 0.00 176.91 176.34 1taf h ASN 52 N -0.45 1.09 -0.21 1.39 4.21 -1.16 -1.49 115.58 118.96 1taf h ASN 52 Ca 0.04 -0.13 0.05 0.00 1.21 0.00 0.00 56.30 57.47 1taf h ASN 52 Cb 0.49 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.40 1taf h ASN 52 CO -0.17 0.92 0.15 -0.74 -1.29 0.00 0.00 177.43 176.30 1taf h HIS 53 N 1.19 0.04 -0.32 1.19 2.76 -0.70 0.19 115.15 119.49 1taf h HIS 53 Ca 0.29 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 1taf h HIS 53 Cb 0.12 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.07 1taf h HIS 53 CO 0.01 0.02 0.00 0.00 -1.30 0.00 0.00 177.93 176.67 1taf n ALA 54 N -2.57 2.47 -2.16 5.26 0.00 -0.63 -4.94 120.51 117.94 1taf n ALA 54 Ca 0.02 -0.67 -0.18 0.00 0.00 0.00 0.00 53.44 52.60 1taf n ALA 54 Cb 0.27 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 1taf n ALA 54 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1taf n LYS 55 N 0.64 -1.43 -3.89 0.00 5.02 0.65 -5.01 118.16 114.13 1taf n LYS 55 Ca 0.15 0.95 -0.21 0.00 -2.02 0.00 0.00 58.31 57.19 1taf n LYS 55 Cb 0.37 -5.42 -0.03 0.00 -0.02 0.00 0.00 35.03 29.93 1taf n LYS 55 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1taf s ARG 56 N -4.60 3.02 0.00 1.97 0.52 -0.81 -5.00 118.95 114.06 1taf s ARG 56 Ca 0.00 -1.04 0.01 0.00 -0.52 0.00 0.00 55.73 54.17 1taf s ARG 56 Cb 0.00 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.81 1taf s ARG 56 CO 0.00 0.27 0.39 0.00 0.02 0.00 0.00 175.30 175.98 1taf n GLN 57 N -1.36 1.09 -4.11 3.54 0.00 -1.26 -4.07 117.38 111.21 1taf n GLN 57 Ca -0.05 -0.40 -0.33 0.00 0.00 0.00 0.00 57.00 56.22 1taf n GLN 57 Cb 0.58 -0.88 -0.16 0.00 0.00 0.00 0.00 30.24 29.78 1taf n GLN 57 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1taf s LYS 58 N -0.31 3.09 0.20 2.61 2.20 -1.26 -5.10 119.74 121.18 1taf s LYS 58 Ca 0.01 -0.78 -0.31 0.00 -0.36 0.00 0.00 55.97 54.53 1taf s LYS 58 Cb 0.00 -2.67 -0.10 0.00 -1.51 0.00 0.00 37.83 33.56 1taf s LYS 58 CO 0.01 -0.19 1.45 -1.17 -0.36 0.00 0.00 175.35 175.09 1taf s LEU 59 N 1.30 4.38 0.30 5.43 2.96 -1.26 -5.02 118.68 126.77 1taf s LEU 59 Ca 0.04 2.57 0.09 0.00 -0.22 0.00 0.00 54.13 56.62 1taf s LEU 59 Cb -0.13 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 42.90 1taf s LEU 59 CO -0.10 -0.71 0.02 -0.94 -1.32 0.00 0.00 176.35 173.30 1taf s SER 60 N 0.68 4.40 0.53 3.68 1.04 -1.26 -5.00 113.70 117.77 1taf s SER 60 Ca 0.63 -0.79 0.19 0.00 0.48 0.00 0.00 55.95 56.45 1taf s SER 60 Cb -0.41 -0.70 1.37 0.00 0.10 0.00 0.00 66.02 66.38 1taf s SER 60 CO 0.37 -0.12 2.15 -0.37 0.98 0.00 0.00 173.24 176.25 1taf h VAL 61 N 1.82 0.89 -0.48 5.02 -1.51 -1.99 -0.28 116.25 119.73 1taf h VAL 61 Ca -0.43 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 64.95 1taf h VAL 61 Cb 1.25 0.97 -0.02 0.00 -2.13 0.00 0.00 31.29 31.36 1taf h VAL 61 CO 0.63 0.00 -0.06 -0.09 -1.23 0.00 0.00 177.57 176.81 1taf h ARG 62 N 0.00 0.84 -0.58 5.19 9.65 -1.99 -0.44 114.38 127.05 1taf h ARG 62 Ca 0.03 -0.26 -0.09 0.00 -1.10 0.00 0.00 59.98 58.55 1taf h ARG 62 Cb 0.12 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.60 1taf h ARG 62 CO -0.00 0.88 0.00 -0.44 2.80 0.00 0.00 179.97 183.22 1taf h ASP 63 N 0.77 0.98 -0.49 -3.80 3.32 -1.40 -1.75 116.42 114.06 1taf h ASP 63 Ca 0.14 -0.27 -0.11 0.00 0.02 0.00 0.00 57.03 56.80 1taf h ASP 63 Cb 0.55 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1taf h ASP 63 CO 0.03 1.04 -0.13 0.40 -1.72 0.00 0.00 179.24 178.86 1taf h ILE 64 N 0.93 1.27 -0.32 0.35 1.08 -0.95 -1.27 117.51 118.59 1taf h ILE 64 Ca 0.17 -1.27 -0.02 0.00 -0.39 0.00 0.00 64.86 63.34 1taf h ILE 64 Cb 0.53 1.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.28 1taf h ILE 64 CO 0.03 0.45 0.11 0.44 -0.69 0.00 0.00 178.15 178.48 1taf h ASP 65 N 0.86 0.47 -0.66 1.72 3.32 -0.94 -0.41 116.42 120.77 1taf h ASP 65 Ca 0.13 -0.20 0.03 0.00 0.02 0.00 0.00 57.03 57.01 1taf h ASP 65 Cb 0.68 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 1taf h ASP 65 CO 0.05 0.54 0.42 0.24 -1.72 0.00 0.00 179.24 178.76 1taf h MET 66 N 0.37 0.80 -0.73 3.56 2.86 -1.19 -1.91 114.93 118.68 1taf h MET 66 Ca 0.11 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.64 1taf h MET 66 Cb 0.23 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 1taf h MET 66 CO -0.00 0.53 0.23 1.03 1.06 0.00 0.00 176.91 179.75 1taf h SER 67 N 0.82 1.06 0.71 1.22 0.87 -0.94 -2.26 113.55 115.02 1taf h SER 67 Ca 0.26 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 1taf h SER 67 Cb 0.01 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.69 1taf h SER 67 CO -0.10 0.98 -0.11 -0.07 -0.53 0.00 0.00 176.83 177.00 1taf h LEU 68 N 1.09 0.00 -0.29 2.23 3.38 -0.62 -1.91 115.31 119.18 1taf h LEU 68 Ca 0.24 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.04 1taf h LEU 68 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1taf h LEU 68 CO -0.01 0.11 -0.80 0.11 0.09 0.00 0.00 178.44 177.94 1taf h LYS 69 N 0.00 0.00 -0.03 1.13 1.79 -0.77 -3.51 116.57 115.18 1taf h LYS 69 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1taf h LYS 69 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1taf h LYS 69 CO 0.01 0.80 0.00 1.33 -1.08 0.00 0.00 179.45 180.51