#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1avs n ALA 8 N 0.00 1.10 0.20 1.69 0.00 -1.26 -4.26 120.51 117.98 1avs n ALA 8 Ca 0.00 -0.79 0.09 0.00 0.00 0.00 0.00 53.44 52.74 1avs n ALA 8 Cb 0.00 -0.46 0.17 0.00 0.00 0.00 0.00 19.45 19.16 1avs n ALA 8 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1avs h GLU 9 N 0.04 0.00 -0.17 0.00 5.08 -2.03 -3.19 114.58 114.31 1avs h GLU 9 Ca -0.49 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.72 1avs h GLU 9 Cb 1.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.24 1avs h GLU 9 CO 0.02 0.18 -0.50 0.00 -1.00 0.00 0.00 179.01 177.71 1avs h ALA 10 N 1.82 0.30 0.00 3.43 0.00 -1.98 0.53 119.26 123.36 1avs h ALA 10 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1avs h ALA 10 Cb 1.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1avs h ALA 10 CO 0.02 0.48 0.00 0.54 0.00 0.00 0.00 179.25 180.29 1avs n ARG 11 N -4.17 0.05 -0.09 0.00 1.74 -1.25 -2.43 116.66 110.51 1avs n ARG 11 Ca -0.07 0.10 -0.14 0.00 -0.77 0.00 0.00 57.85 56.98 1avs n ARG 11 Cb 0.60 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.47 1avs n ARG 11 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1avs n ALA 12 N -1.47 0.64 -0.18 7.54 0.00 -1.06 -4.40 120.51 121.58 1avs n ALA 12 Ca 0.06 -0.48 -0.03 0.00 0.00 0.00 0.00 53.44 52.99 1avs n ALA 12 Cb 0.26 -0.25 0.03 0.00 0.00 0.00 0.00 19.45 19.49 1avs n ALA 12 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1avs h PHE 13 N -1.00 -0.54 -4.02 0.00 3.57 -0.91 -3.43 116.94 110.61 1avs h PHE 13 Ca -0.19 0.06 -0.45 0.00 3.53 0.00 0.00 57.97 60.92 1avs h PHE 13 Cb 0.93 0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 1avs h PHE 13 CO -0.07 -0.31 0.34 -0.51 -2.23 0.00 0.00 178.31 175.54 1avs s LEU 14 N -10.75 4.04 0.68 0.59 1.43 -1.02 -5.05 118.68 108.60 1avs s LEU 14 Ca -0.14 1.74 -0.13 0.00 -1.03 0.00 0.00 54.13 54.56 1avs s LEU 14 Cb 0.17 -4.40 0.01 0.00 0.03 0.00 0.00 46.19 41.99 1avs s LEU 14 CO 0.71 -0.31 1.09 -0.94 0.23 0.00 0.00 176.35 177.14 1avs s SER 15 N -2.02 5.10 0.43 2.29 1.04 -1.26 -4.88 113.70 114.40 1avs s SER 15 Ca 0.59 1.87 0.11 0.00 0.48 0.00 0.00 55.95 59.00 1avs s SER 15 Cb -0.12 -2.53 0.94 0.00 0.10 0.00 0.00 66.02 64.41 1avs s SER 15 CO 0.16 -1.63 2.01 -0.33 0.98 0.00 0.00 173.24 174.43 1avs h GLU 16 N -0.31 0.20 0.23 4.02 3.07 -1.96 -1.75 114.58 118.08 1avs h GLU 16 Ca -0.45 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.36 1avs h GLU 16 Cb 1.23 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1avs h GLU 16 CO 0.54 0.26 -0.11 0.93 -1.40 0.00 0.00 179.01 179.23 1avs h GLU 17 N 0.20 -0.30 -0.36 2.33 3.07 -1.99 -1.39 114.58 116.14 1avs h GLU 17 Ca 0.05 0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.97 1avs h GLU 17 Cb 0.20 0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.14 1avs h GLU 17 CO 0.01 -0.13 0.12 1.98 -1.40 0.00 0.00 179.01 179.59 1avs h MET 18 N -0.41 0.26 -0.63 2.33 4.05 -1.87 -1.01 114.93 117.65 1avs h MET 18 Ca -0.03 -0.02 0.10 0.00 -0.28 0.00 0.00 59.70 59.47 1avs h MET 18 Cb 0.31 -0.06 -0.07 0.00 -0.80 0.00 0.00 31.60 30.98 1avs h MET 18 CO 0.05 0.17 0.24 0.82 0.23 0.00 0.00 176.91 178.43 1avs h ILE 19 N 0.27 0.76 -0.84 1.77 2.04 -1.14 -0.35 117.51 120.02 1avs h ILE 19 Ca 0.17 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.85 1avs h ILE 19 Cb 0.15 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.49 1avs h ILE 19 CO -0.17 0.08 0.39 0.00 0.00 0.00 0.00 178.15 178.44 1avs h ALA 20 N 1.43 1.09 0.00 1.87 0.00 -0.82 0.11 119.26 122.94 1avs h ALA 20 Ca 0.32 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1avs h ALA 20 Cb 0.41 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1avs h ALA 20 CO -0.32 0.67 -0.43 0.93 0.00 0.00 0.00 179.25 180.10 1avs h GLU 21 N 1.21 0.00 -0.29 0.00 4.39 -0.20 -2.88 114.58 116.79 1avs h GLU 21 Ca 0.29 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.81 1avs h GLU 21 Cb 0.15 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1avs h GLU 21 CO -0.03 0.43 -0.53 0.74 -1.16 0.00 0.00 179.01 178.46 1avs h PHE 22 N 0.00 1.08 -0.62 4.33 0.04 -0.22 -2.69 116.94 118.85 1avs h PHE 22 Ca -0.00 -0.38 -0.00 0.00 2.80 0.00 0.00 57.97 60.39 1avs h PHE 22 Cb 1.12 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 39.04 1avs h PHE 22 CO 0.00 1.20 0.38 -0.22 -0.60 0.00 0.00 178.31 179.07 1avs h LYS 23 N 0.67 0.84 0.23 1.51 1.63 -0.76 -1.10 116.57 119.59 1avs h LYS 23 Ca 0.02 -0.07 0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1avs h LYS 23 Cb 1.13 -0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 32.55 1avs h LYS 23 CO 0.12 0.60 -0.43 0.00 -3.45 0.00 0.00 179.45 176.29 1avs h ALA 24 N 1.19 -0.83 -0.26 5.00 0.00 -1.46 1.35 119.26 124.25 1avs h ALA 24 Ca 0.22 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1avs h ALA 24 Cb -0.03 0.68 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1avs h ALA 24 CO -0.04 -1.02 -0.25 0.00 0.00 0.00 0.00 179.25 177.94 1avs h ALA 25 N -0.33 -0.13 -0.08 0.00 0.00 -1.31 0.12 119.26 117.53 1avs h ALA 25 Ca -0.00 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1avs h ALA 25 Cb 0.72 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1avs h ALA 25 CO -0.18 -0.67 -0.19 0.35 0.00 0.00 0.00 179.25 178.55 1avs h PHE 26 N -0.25 -0.51 -0.31 0.00 3.57 -0.75 1.04 116.94 119.74 1avs h PHE 26 Ca 0.14 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.75 1avs h PHE 26 Cb 0.47 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1avs h PHE 26 CO -0.41 -0.27 0.28 -0.44 -2.23 0.00 0.00 178.31 175.24 1avs h ASP 27 N -0.27 0.00 0.13 0.41 3.32 0.26 0.23 116.42 120.50 1avs h ASP 27 Ca 0.08 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.90 1avs h ASP 27 Cb 0.39 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.95 1avs h ASP 27 CO -0.24 0.00 -0.90 0.24 -1.72 0.00 0.00 179.24 176.62 1avs h MET 28 N 0.00 0.57 -0.23 3.56 2.86 0.36 -3.20 114.93 118.86 1avs h MET 28 Ca 0.15 -0.56 -0.13 0.00 -2.06 0.00 0.00 59.70 57.09 1avs h MET 28 Cb 0.70 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 1avs h MET 28 CO -0.00 1.18 -0.42 0.74 1.06 0.00 0.00 176.91 179.47 1avs h PHE 29 N 0.35 0.65 -0.20 -0.22 -1.00 0.18 -3.36 116.94 113.35 1avs h PHE 29 Ca -0.08 -0.19 -0.72 0.00 2.81 0.00 0.00 57.97 59.79 1avs h PHE 29 Cb 1.53 -0.14 -0.06 0.00 3.61 0.00 0.00 35.95 40.90 1avs h PHE 29 CO 0.08 0.88 2.98 -3.47 -1.61 0.00 0.00 178.31 177.16 1avs n ASP 30 N -4.02 4.05 -0.25 2.17 2.03 -0.04 -4.78 116.55 115.70 1avs n ASP 30 Ca -0.02 -2.88 0.06 0.00 0.52 0.00 0.00 54.79 52.48 1avs n ASP 30 Cb 0.52 -1.64 0.19 0.00 -0.72 0.00 0.00 41.12 39.48 1avs n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1avs h ALA 31 N 5.99 1.00 -0.02 -1.67 0.00 -1.80 0.54 119.26 123.30 1avs h ALA 31 Ca 0.54 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.61 1avs h ALA 31 Cb 0.64 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1avs h ALA 31 CO 1.85 -0.32 0.00 -0.40 0.00 0.00 0.00 179.25 180.38 1avs n ASP 32 N -5.12 0.53 -1.36 0.00 5.68 -1.26 -4.89 116.55 110.13 1avs n ASP 32 Ca 0.15 -1.29 -0.17 0.00 -0.50 0.00 0.00 54.79 52.98 1avs n ASP 32 Cb 0.46 -0.01 -0.07 0.00 -1.14 0.00 0.00 41.12 40.36 1avs n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1avs n GLY 33 N 1.01 1.54 0.14 6.12 0.00 0.18 -4.88 105.19 109.30 1avs n GLY 33 Ca 0.20 -0.20 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1avs n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1avs n GLY 34 N -0.88 -0.77 0.00 -0.02 0.00 -1.26 -4.92 105.19 97.34 1avs n GLY 34 Ca -0.17 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1avs n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1avs n GLY 35 N 1.13 1.76 3.14 -0.02 0.00 -1.26 -5.06 105.19 104.87 1avs n GLY 35 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 1avs n GLY 35 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1avs s ASP 36 N -1.57 0.22 -0.24 1.61 1.47 -1.26 -4.23 116.67 112.66 1avs s ASP 36 Ca 0.00 -0.65 -0.14 0.00 1.18 0.00 0.00 52.55 52.95 1avs s ASP 36 Cb 0.00 0.25 -0.04 0.00 -0.34 0.00 0.00 42.92 42.79 1avs s ASP 36 CO 0.00 -0.59 0.31 -0.63 0.68 0.00 0.00 175.17 174.95 1avs s ILE 37 N -3.18 5.24 0.50 2.11 1.01 0.71 -4.83 121.20 122.76 1avs s ILE 37 Ca -0.00 0.49 0.05 0.00 0.00 0.00 0.00 60.65 61.19 1avs s ILE 37 Cb 0.02 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 38.88 1avs s ILE 37 CO -0.07 0.25 0.69 -0.94 0.00 0.00 0.00 174.94 174.87 1avs s SER 38 N 1.27 5.40 0.37 3.58 1.04 -1.26 -0.38 113.70 123.72 1avs s SER 38 Ca 0.14 -0.28 0.05 0.00 0.48 0.00 0.00 55.95 56.34 1avs s SER 38 Cb -0.15 -0.65 0.71 0.00 0.10 0.00 0.00 66.02 66.03 1avs s SER 38 CO 0.08 -1.01 1.97 0.71 0.98 0.00 0.00 173.24 175.96 1avs h THR 39 N 0.31 1.15 -0.38 2.02 1.35 -1.95 -1.27 112.91 114.15 1avs h THR 39 Ca -0.40 -0.47 0.03 0.00 -0.55 0.00 0.00 66.41 65.01 1avs h THR 39 Cb 1.29 0.67 -0.03 0.00 -1.73 0.00 0.00 68.15 68.34 1avs h THR 39 CO 0.47 0.19 0.19 0.50 -0.25 0.00 0.00 175.52 176.62 1avs h LYS 40 N 0.57 0.39 -0.54 4.72 3.64 -1.99 0.31 116.57 123.67 1avs h LYS 40 Ca 0.14 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1avs h LYS 40 Cb 0.11 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1avs h LYS 40 CO -0.02 0.26 0.23 0.93 -2.27 0.00 0.00 179.45 178.58 1avs h GLU 41 N 0.40 0.79 -0.20 1.90 5.08 -1.71 -1.45 114.58 119.39 1avs h GLU 41 Ca 0.16 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1avs h GLU 41 Cb 0.06 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1avs h GLU 41 CO -0.11 0.68 0.09 1.25 -1.00 0.00 0.00 179.01 179.92 1avs h LEU 42 N 0.73 0.27 -1.28 1.33 5.85 -1.01 -2.65 115.31 118.55 1avs h LEU 42 Ca 0.18 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1avs h LEU 42 Cb 0.17 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1avs h LEU 42 CO -0.02 0.34 0.07 1.23 -0.34 0.00 0.00 178.44 179.73 1avs h GLY 43 N 0.19 0.61 0.83 3.75 0.00 -0.11 -1.55 103.07 106.78 1avs h GLY 43 Ca 0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1avs h GLY 43 CO -0.01 0.31 -0.12 -0.84 0.00 0.00 0.00 176.54 175.88 1avs h THR 44 N 0.55 0.79 -0.63 4.70 2.02 -1.13 -1.55 112.91 117.67 1avs h THR 44 Ca 0.13 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 1avs h THR 44 Cb 0.24 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 1avs h THR 44 CO -0.00 0.07 0.21 0.58 0.37 0.00 0.00 175.52 176.76 1avs h VAL 45 N -0.52 1.23 -0.61 3.16 2.07 -1.37 -2.33 116.25 117.89 1avs h VAL 45 Ca -0.04 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 1avs h VAL 45 Cb 0.38 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1avs h VAL 45 CO 0.06 0.30 0.32 0.24 0.02 0.00 0.00 177.57 178.51 1avs h MET 46 N 0.92 0.84 -0.49 1.57 2.86 -1.12 0.23 114.93 119.74 1avs h MET 46 Ca 0.21 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.69 1avs h MET 46 Cb 0.24 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1avs h MET 46 CO -0.01 0.62 0.04 0.00 1.06 0.00 0.00 176.91 178.62 1avs h ARG 47 N 0.84 0.79 0.00 1.72 3.08 -0.97 0.19 114.38 120.03 1avs h ARG 47 Ca 0.21 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1avs h ARG 47 Cb 0.04 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1avs h ARG 47 CO -0.03 0.77 -0.01 0.52 -1.07 0.00 0.00 179.97 180.15 1avs h MET 48 N 0.74 0.00 -0.95 0.04 2.86 -0.44 -0.08 114.93 117.11 1avs h MET 48 Ca 0.15 0.00 -0.46 0.00 -2.06 0.00 0.00 59.70 57.33 1avs h MET 48 Cb 0.40 0.00 -0.28 0.00 0.06 0.00 0.00 31.60 31.78 1avs h MET 48 CO 0.01 0.01 0.58 1.28 1.06 0.00 0.00 176.91 179.85 1avs n LEU 49 N -3.12 6.60 0.00 1.22 4.77 0.55 -4.87 117.00 122.15 1avs n LEU 49 Ca -0.01 -3.55 0.00 0.00 -0.03 0.00 0.00 56.01 52.42 1avs n LEU 49 Cb 0.19 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 1avs n LEU 49 CO 0.24 1.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.93 1avs n GLY 50 N -0.99 2.10 3.70 -0.72 0.00 -0.04 -5.01 105.19 104.23 1avs n GLY 50 Ca 0.56 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 46.16 1avs n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1avs s GLN 51 N 0.00 1.25 -0.51 1.61 1.11 -0.49 -4.89 119.66 117.74 1avs s GLN 51 Ca 0.00 1.03 0.07 0.00 0.01 0.00 0.00 55.36 56.47 1avs s GLN 51 Cb 0.00 -1.79 0.31 0.00 -1.01 0.00 0.00 33.01 30.52 1avs s GLN 51 CO 0.00 -2.31 0.78 -1.71 0.01 0.00 0.00 175.29 172.07 1avs n ASN 52 N -3.96 2.74 -4.79 5.90 5.15 -1.26 -3.37 115.26 115.67 1avs n ASN 52 Ca 0.08 -3.31 -0.34 0.00 -0.60 0.00 0.00 54.58 50.41 1avs n ASN 52 Cb 0.54 -0.61 -0.00 0.00 -0.53 0.00 0.00 39.78 39.18 1avs n ASN 52 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1avs s PRO 53 N -2.65 3.42 0.50 1.20 0.05 -1.26 -5.05 135.00 131.21 1avs s PRO 53 Ca 0.43 1.37 0.01 0.00 0.05 0.00 0.00 61.00 62.85 1avs s PRO 53 Cb 0.25 -2.04 0.02 0.00 0.05 0.00 0.00 34.50 32.78 1avs s PRO 53 CO -0.09 -0.75 0.72 0.95 0.05 0.00 0.00 177.00 177.88 1avs s THR 54 N -2.14 3.32 0.47 1.26 -4.23 -1.26 -4.92 115.64 108.14 1avs s THR 54 Ca 0.67 -0.59 0.17 0.00 -1.18 0.00 0.00 61.69 60.77 1avs s THR 54 Cb -0.18 -3.24 0.34 0.00 1.34 0.00 0.00 72.50 70.76 1avs s THR 54 CO 0.30 -0.16 2.00 0.50 -0.54 0.00 0.00 174.62 176.71 1avs h LYS 55 N 0.24 0.25 0.01 3.99 3.11 -1.99 -1.56 116.57 120.62 1avs h LYS 55 Ca -0.44 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.38 1avs h LYS 55 Cb 1.27 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.45 1avs h LYS 55 CO 0.55 0.16 -0.01 1.49 -2.81 0.00 0.00 179.45 178.83 1avs h GLU 56 N 0.26 -0.01 -0.29 1.90 4.57 -1.98 0.26 114.58 119.28 1avs h GLU 56 Ca 0.24 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1avs h GLU 56 Cb 0.62 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 1avs h GLU 56 CO -0.05 0.15 0.17 0.93 -1.18 0.00 0.00 179.01 179.03 1avs h GLU 57 N -0.17 0.40 -0.52 1.92 5.08 -1.85 0.71 114.58 120.15 1avs h GLU 57 Ca -0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1avs h GLU 57 Cb 0.17 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1avs h GLU 57 CO 0.00 0.33 0.27 -0.07 -1.00 0.00 0.00 179.01 178.54 1avs h LEU 58 N 0.37 0.66 -0.51 1.33 3.38 -1.11 -1.31 115.31 118.11 1avs h LEU 58 Ca 0.10 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1avs h LEU 58 Cb 0.03 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 1avs h LEU 58 CO -0.02 0.57 0.19 0.44 0.09 0.00 0.00 178.44 179.71 1avs h ASP 59 N 0.69 0.19 -0.39 -0.43 3.32 -0.15 -1.99 116.42 117.66 1avs h ASP 59 Ca 0.18 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 1avs h ASP 59 Cb 0.07 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1avs h ASP 59 CO -0.03 0.14 0.13 0.00 -1.72 0.00 0.00 179.24 177.76 1avs h ALA 60 N 1.34 1.38 -0.24 3.45 0.00 -0.52 0.04 119.26 124.71 1avs h ALA 60 Ca 0.25 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 1avs h ALA 60 Cb 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1avs h ALA 60 CO -0.25 0.45 -0.54 0.82 0.00 0.00 0.00 179.25 179.73 1avs h ILE 61 N 0.66 1.29 -0.16 0.00 2.04 -0.64 -3.03 117.51 117.67 1avs h ILE 61 Ca 0.15 -1.74 -0.21 0.00 1.00 0.00 0.00 64.86 64.06 1avs h ILE 61 Cb 0.21 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 1avs h ILE 61 CO -0.01 0.56 -0.72 0.40 0.00 0.00 0.00 178.15 178.38 1avs h ILE 62 N 0.53 1.30 -0.32 -0.67 2.04 -1.19 -3.15 117.51 116.05 1avs h ILE 62 Ca -0.00 -1.95 0.09 0.00 1.00 0.00 0.00 64.86 64.00 1avs h ILE 62 Cb 1.16 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 1avs h ILE 62 CO 0.12 0.62 0.28 -0.08 0.00 0.00 0.00 178.15 179.09 1avs h GLU 63 N 0.50 0.00 0.00 2.37 4.81 -0.92 0.16 114.58 121.50 1avs h GLU 63 Ca -0.03 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 1avs h GLU 63 Cb 1.33 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 1avs h GLU 63 CO 0.14 0.00 -0.36 1.49 -0.73 0.00 0.00 179.01 179.56 1avs h GLU 64 N 0.00 0.00 -0.01 1.92 4.57 -1.48 -3.26 114.58 116.33 1avs h GLU 64 Ca 0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1avs h GLU 64 Cb 0.72 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 1avs h GLU 64 CO -0.00 0.36 -0.04 1.33 -1.18 0.00 0.00 179.01 179.47 1avs n VAL 65 N -3.92 0.00 -2.52 0.32 0.24 -0.37 -4.92 118.33 107.16 1avs n VAL 65 Ca -0.02 -0.48 -0.40 0.00 -2.04 0.00 0.00 64.34 61.41 1avs n VAL 65 Cb 0.42 1.09 -0.03 0.00 -1.47 0.00 0.00 33.84 33.85 1avs n VAL 65 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1avs s ASP 66 N -0.64 6.44 0.04 -1.34 2.15 -0.10 -4.84 116.67 118.39 1avs s ASP 66 Ca 0.05 -1.62 0.27 0.00 0.43 0.00 0.00 52.55 51.68 1avs s ASP 66 Cb 0.04 -2.57 1.08 0.00 -0.30 0.00 0.00 42.92 41.18 1avs s ASP 66 CO 0.09 -1.56 1.84 -0.62 -0.17 0.00 0.00 175.17 174.75 1avs n GLU 67 N 8.77 0.05 -0.07 4.34 -0.58 -1.26 -3.25 120.64 128.63 1avs n GLU 67 Ca 0.37 0.08 0.06 0.00 -0.42 0.00 0.00 57.16 57.25 1avs n GLU 67 Cb 0.50 -1.56 0.09 0.00 -0.57 0.00 0.00 31.44 29.90 1avs n GLU 67 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1avs n ASP 68 N -1.65 2.36 -1.65 1.62 5.75 -1.26 -4.99 116.55 116.73 1avs n ASP 68 Ca 0.06 -1.68 -0.16 0.00 -0.01 0.00 0.00 54.79 53.00 1avs n ASP 68 Cb 0.33 -0.09 -0.03 0.00 -1.03 0.00 0.00 41.12 40.30 1avs n ASP 68 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1avs n GLY 69 N 0.62 0.27 0.08 6.12 0.00 -1.20 -4.90 105.19 106.18 1avs n GLY 69 Ca 0.09 -0.23 0.13 0.00 0.00 0.00 0.00 46.02 46.01 1avs n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1avs n SER 70 N -0.92 0.65 0.00 1.61 3.41 -1.26 -4.90 113.62 112.21 1avs n SER 70 Ca -0.18 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 1avs n SER 70 Cb 0.61 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1avs n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1avs n GLY 71 N 1.35 0.67 3.16 5.00 0.00 -1.26 -5.02 105.19 109.09 1avs n GLY 71 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1avs n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1avs s THR 72 N -2.65 0.55 -0.24 2.61 -4.23 -1.26 -4.61 115.64 105.81 1avs s THR 72 Ca 0.00 -1.91 -0.07 0.00 -1.18 0.00 0.00 61.69 58.53 1avs s THR 72 Cb 0.00 -1.70 -0.03 0.00 1.34 0.00 0.00 72.50 72.11 1avs s THR 72 CO 0.00 -0.85 0.07 -0.63 -0.54 0.00 0.00 174.62 172.67 1avs s ILE 73 N -3.72 4.40 0.86 2.99 1.01 0.48 -4.83 121.20 122.40 1avs s ILE 73 Ca 0.12 -0.14 -0.08 0.00 0.00 0.00 0.00 60.65 60.55 1avs s ILE 73 Cb 0.06 -3.05 0.18 0.00 0.01 0.00 0.00 42.46 39.66 1avs s ILE 73 CO -0.05 0.35 1.18 1.51 0.00 0.00 0.00 174.94 177.93 1avs s ASP 74 N 1.47 3.58 0.16 3.58 1.47 -1.26 -0.21 116.67 125.46 1avs s ASP 74 Ca 0.06 -0.16 -0.13 0.00 1.18 0.00 0.00 52.55 53.49 1avs s ASP 74 Cb -0.15 0.02 0.05 0.00 -0.34 0.00 0.00 42.92 42.51 1avs s ASP 74 CO 0.04 -2.40 1.72 0.15 0.68 0.00 0.00 175.17 175.36 1avs h PHE 75 N -1.14 0.81 -0.61 2.11 3.57 -1.99 0.62 116.94 120.32 1avs h PHE 75 Ca -0.39 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 60.99 1avs h PHE 75 Cb 1.24 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.71 1avs h PHE 75 CO -0.81 0.66 0.16 0.93 -2.23 0.00 0.00 178.31 177.02 1avs h GLU 76 N 0.73 0.97 0.00 1.11 4.39 -1.96 0.13 114.58 119.95 1avs h GLU 76 Ca 0.18 -0.23 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 1avs h GLU 76 Cb 0.19 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1avs h GLU 76 CO -0.02 0.88 -0.39 0.93 -1.16 0.00 0.00 179.01 179.25 1avs h GLU 77 N 0.88 0.00 -0.34 2.33 5.08 -1.83 -2.36 114.58 118.33 1avs h GLU 77 Ca 0.19 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1avs h GLU 77 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1avs h GLU 77 CO 0.00 0.39 -0.02 0.35 -1.00 0.00 0.00 179.01 178.73 1avs h PHE 78 N 0.00 0.68 0.02 4.33 3.57 -0.19 -2.20 116.94 123.15 1avs h PHE 78 Ca -0.00 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.37 1avs h PHE 78 Cb 0.70 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1avs h PHE 78 CO 0.00 0.75 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.75 1avs h LEU 79 N 0.42 -0.02 -0.96 0.59 3.38 -0.41 -2.67 115.31 115.65 1avs h LEU 79 Ca 0.09 -0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.23 1avs h LEU 79 Cb 0.49 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.14 1avs h LEU 79 CO 0.02 -0.01 0.55 0.58 0.09 0.00 0.00 178.44 179.68 1avs h VAL 80 N -0.03 0.71 0.00 1.22 2.07 -1.40 0.46 116.25 119.28 1avs h VAL 80 Ca -0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1avs h VAL 80 Cb 0.02 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.72 1avs h VAL 80 CO 0.00 0.13 0.00 -0.03 0.02 0.00 0.00 177.57 177.70 1avs h MET 81 N 0.72 0.00 0.00 1.57 1.85 -1.06 0.42 114.93 118.43 1avs h MET 81 Ca 0.54 0.00 -0.38 0.00 -0.61 0.00 0.00 59.70 59.25 1avs h MET 81 Cb 0.81 0.00 -0.07 0.00 0.43 0.00 0.00 31.60 32.78 1avs h MET 81 CO -0.38 0.00 -2.43 -1.33 -0.40 0.00 0.00 176.91 172.37 1avs n MET 82 N -2.33 0.67 0.22 0.39 2.81 0.13 -3.53 117.12 115.47 1avs n MET 82 Ca 0.01 0.11 -0.15 0.00 -1.81 0.00 0.00 57.70 55.86 1avs n MET 82 Cb 0.21 -1.51 -0.08 0.00 -0.71 0.00 0.00 33.22 31.13 1avs n MET 82 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1avs h VAL 83 N 0.00 0.65 -0.81 2.03 2.07 -0.51 0.40 116.25 120.08 1avs h VAL 83 Ca -0.56 -0.02 0.23 0.00 0.82 0.00 0.00 66.70 67.18 1avs h VAL 83 Cb 1.97 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 32.36 1avs h VAL 83 CO -0.06 0.00 0.70 0.08 0.02 0.00 0.00 177.57 178.32 1avs h ARG 84 N -0.49 0.00 -0.10 1.57 0.11 -1.11 0.53 114.38 114.88 1avs h ARG 84 Ca -0.05 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.81 1avs h ARG 84 Cb 0.38 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.46 1avs h ARG 84 CO 0.08 0.00 -0.82 0.37 0.10 0.00 0.00 179.97 179.70 1avs h GLN 85 N 0.00 0.67 -0.14 0.08 -0.00 -0.38 -3.29 115.11 112.04 1avs h GLN 85 Ca 0.38 -0.58 -0.21 0.00 -0.00 0.00 0.00 58.65 58.24 1avs h GLN 85 Cb 1.78 0.13 0.01 0.00 0.00 0.00 0.00 27.48 29.41 1avs h GLN 85 CO -0.00 1.20 -0.72 0.52 0.00 0.00 0.00 178.83 179.83 1avs h MET 86 N 0.44 0.74 0.00 1.69 2.86 0.24 -3.51 114.93 117.40 1avs h MET 86 Ca -0.06 -0.60 0.00 0.00 -2.06 0.00 0.00 59.70 56.98 1avs h MET 86 Cb 1.44 0.12 0.00 0.00 0.06 0.00 0.00 31.60 33.23 1avs h MET 86 CO 0.16 1.21 0.00 1.63 1.06 0.00 0.00 176.91 180.97