#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1avs h GLN 7 N 0.00 -0.10 -0.44 2.61 4.20 -1.99 -1.05 115.11 118.35 1avs h GLN 7 Ca 0.00 0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.84 1avs h GLN 7 Cb 0.00 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1avs h GLN 7 CO 0.00 -0.06 0.41 0.00 -0.67 0.00 0.00 178.83 178.50 1avs h ALA 8 N -1.71 2.21 0.00 3.87 0.00 -2.01 0.67 119.26 122.28 1avs h ALA 8 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1avs h ALA 8 Cb 0.08 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1avs h ALA 8 CO 0.02 -0.63 0.00 0.39 0.00 0.00 0.00 179.25 179.02 1avs n GLU 9 N -3.91 0.12 -0.03 0.00 1.02 -1.23 -3.11 120.64 113.49 1avs n GLU 9 Ca 0.08 0.13 -0.13 0.00 -0.02 0.00 0.00 57.16 57.22 1avs n GLU 9 Cb 0.60 -1.65 -0.14 0.00 -0.02 0.00 0.00 31.44 30.23 1avs n GLU 9 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1avs n ALA 10 N -1.63 1.33 0.30 0.62 0.00 0.23 -4.21 120.51 117.15 1avs n ALA 10 Ca 0.06 -0.82 -0.15 0.00 0.00 0.00 0.00 53.44 52.53 1avs n ALA 10 Cb 0.36 -0.67 -0.07 0.00 0.00 0.00 0.00 19.45 19.07 1avs n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1avs h ARG 11 N 0.02 -0.85 -0.27 0.00 2.47 -1.38 -2.90 114.38 111.47 1avs h ARG 11 Ca -0.38 0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.40 1avs h ARG 11 Cb 2.05 0.19 0.00 0.00 -1.65 0.00 0.00 29.97 30.56 1avs h ARG 11 CO 0.06 -0.57 0.00 0.00 0.56 0.00 0.00 179.97 180.03 1avs n ALA 12 N -2.61 2.12 -0.01 0.04 0.00 -1.22 -2.90 120.51 115.93 1avs n ALA 12 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1avs n ALA 12 Cb 0.38 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 1avs n ALA 12 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1avs n PHE 13 N -0.24 0.00 -3.42 0.00 3.01 -1.11 -5.02 117.46 110.69 1avs n PHE 13 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.13 1avs n PHE 13 Cb 0.07 -0.14 -0.05 0.00 -0.01 0.00 0.00 39.48 39.34 1avs n PHE 13 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1avs s LEU 14 N -3.72 4.26 0.79 4.37 1.43 -1.14 -5.07 118.68 119.59 1avs s LEU 14 Ca -0.02 0.96 -0.12 0.00 -1.03 0.00 0.00 54.13 53.92 1avs s LEU 14 Cb 0.02 -3.44 0.07 0.00 0.03 0.00 0.00 46.19 42.87 1avs s LEU 14 CO 0.17 0.02 1.14 -0.94 0.23 0.00 0.00 176.35 176.97 1avs s SER 15 N -2.05 4.05 0.40 2.29 1.04 -1.26 -4.88 113.70 113.30 1avs s SER 15 Ca 0.42 2.08 0.07 0.00 0.48 0.00 0.00 55.95 59.00 1avs s SER 15 Cb -0.13 -2.55 0.83 0.00 0.10 0.00 0.00 66.02 64.26 1avs s SER 15 CO 0.20 -2.34 2.04 -0.08 0.98 0.00 0.00 173.24 174.03 1avs h GLU 16 N -0.99 0.54 -0.07 4.02 4.57 -1.97 -2.60 114.58 118.08 1avs h GLU 16 Ca -0.45 -0.04 -0.19 0.00 -1.18 0.00 0.00 59.36 57.50 1avs h GLU 16 Cb 1.26 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.73 1avs h GLU 16 CO 0.48 0.38 -0.75 1.05 -1.18 0.00 0.00 179.01 179.00 1avs h GLU 17 N 0.55 0.39 -0.03 1.92 -0.00 -1.99 -2.60 114.58 112.83 1avs h GLU 17 Ca 0.15 -0.33 -0.01 0.00 -0.00 0.00 0.00 59.36 59.17 1avs h GLU 17 Cb -0.02 0.07 -0.00 0.00 -0.00 0.00 0.00 28.75 28.80 1avs h GLU 17 CO -0.03 0.97 -0.01 1.98 -0.00 0.00 0.00 179.01 181.93 1avs h MET 18 N 0.26 0.06 -0.53 1.06 4.05 -1.85 -3.01 114.93 114.97 1avs h MET 18 Ca -0.03 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.37 1avs h MET 18 Cb 1.33 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.10 1avs h MET 18 CO 0.13 0.42 0.35 0.82 0.23 0.00 0.00 176.91 178.86 1avs h ILE 19 N -0.31 1.12 -0.27 1.77 2.04 -1.52 -0.32 117.51 120.03 1avs h ILE 19 Ca 0.01 -0.24 -0.14 0.00 1.00 0.00 0.00 64.86 65.48 1avs h ILE 19 Cb 0.40 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1avs h ILE 19 CO 0.00 0.13 -0.42 0.00 0.00 0.00 0.00 178.15 177.86 1avs h ALA 20 N 1.67 0.76 -0.46 1.87 0.00 -1.45 -1.19 119.26 120.47 1avs h ALA 20 Ca 0.20 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1avs h ALA 20 Cb -0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1avs h ALA 20 CO -0.05 0.66 -0.16 0.93 0.00 0.00 0.00 179.25 180.64 1avs h GLU 21 N 0.53 0.88 -0.18 0.00 4.39 -1.30 -2.26 114.58 116.65 1avs h GLU 21 Ca 0.04 -0.33 -0.14 0.00 0.34 0.00 0.00 59.36 59.27 1avs h GLU 21 Cb 0.95 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 1avs h GLU 21 CO 0.09 0.97 -0.47 0.74 -1.16 0.00 0.00 179.01 179.18 1avs h PHE 22 N 0.78 0.55 -0.46 4.33 0.04 -0.92 -2.88 116.94 118.39 1avs h PHE 22 Ca 0.12 -0.17 -0.07 0.00 2.80 0.00 0.00 57.97 60.65 1avs h PHE 22 Cb 0.68 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.70 1avs h PHE 22 CO 0.04 0.84 0.00 -0.22 -0.60 0.00 0.00 178.31 178.37 1avs h LYS 23 N 0.37 0.75 -0.32 1.51 1.63 -0.96 0.53 116.57 120.07 1avs h LYS 23 Ca 0.02 -0.19 -0.01 0.00 -0.85 0.00 0.00 60.65 59.61 1avs h LYS 23 Cb 0.96 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.49 1avs h LYS 23 CO 0.08 0.76 0.14 0.00 -3.45 0.00 0.00 179.45 176.98 1avs h ALA 24 N 1.30 0.41 -0.04 5.00 0.00 -1.37 -0.06 119.26 124.52 1avs h ALA 24 Ca 0.14 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1avs h ALA 24 Cb 0.43 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1avs h ALA 24 CO 0.02 -0.01 0.01 0.00 0.00 0.00 0.00 179.25 179.27 1avs h ALA 25 N 0.99 0.05 -0.88 0.00 0.00 -1.34 -2.22 119.26 115.86 1avs h ALA 25 Ca 0.11 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.00 1avs h ALA 25 Cb 0.15 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 1avs h ALA 25 CO -0.01 -0.36 0.54 0.35 0.00 0.00 0.00 179.25 179.77 1avs h PHE 26 N -0.12 0.99 -0.54 0.00 3.57 -0.66 -0.81 116.94 119.37 1avs h PHE 26 Ca 0.01 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1avs h PHE 26 Cb 0.18 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 1avs h PHE 26 CO -0.01 0.47 0.23 -0.44 -2.23 0.00 0.00 178.31 176.32 1avs h ASP 27 N 0.95 0.70 -0.17 0.41 3.32 -0.82 -0.09 116.42 120.72 1avs h ASP 27 Ca 0.40 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.29 1avs h ASP 27 Cb 0.25 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1avs h ASP 27 CO -0.20 0.62 -0.13 0.24 -1.72 0.00 0.00 179.24 178.05 1avs h MET 28 N 0.77 0.55 -0.20 3.56 2.86 -0.52 -2.87 114.93 119.08 1avs h MET 28 Ca 0.19 -0.17 -0.21 0.00 -2.06 0.00 0.00 59.70 57.45 1avs h MET 28 Cb 0.13 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 31.75 1avs h MET 28 CO -0.02 0.68 -0.69 0.74 1.06 0.00 0.00 176.91 178.68 1avs h PHE 29 N 0.51 1.04 0.00 -0.22 -1.00 -1.11 -3.35 116.94 112.81 1avs h PHE 29 Ca 0.09 -0.42 -0.68 0.00 2.81 0.00 0.00 57.97 59.77 1avs h PHE 29 Cb 0.53 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 1avs h PHE 29 CO 0.02 1.25 3.27 -3.47 -1.61 0.00 0.00 178.31 177.76 1avs n ASP 30 N -3.95 5.27 -0.32 2.17 2.03 -0.10 -4.75 116.55 116.89 1avs n ASP 30 Ca -0.06 -2.72 0.18 0.00 0.52 0.00 0.00 54.79 52.71 1avs n ASP 30 Cb 0.70 -1.56 0.38 0.00 -0.72 0.00 0.00 41.12 39.92 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 5.87 1.62 -0.13 -1.67 0.00 -1.73 0.53 119.26 123.76 1avs h ALA 31 Ca 0.65 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.76 1avs h ALA 31 Cb 0.51 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1avs h ALA 31 CO 1.85 -0.50 0.00 -0.40 0.00 0.00 0.00 179.25 180.20 1avs n ASP 32 N -5.12 1.44 -2.14 0.00 5.75 -1.26 -4.95 116.55 110.27 1avs n ASP 32 Ca 0.27 -1.64 -0.16 0.00 -0.01 0.00 0.00 54.79 53.25 1avs n ASP 32 Cb 0.83 -0.08 -0.03 0.00 -1.03 0.00 0.00 41.12 40.81 1avs n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1avs n GLY 33 N 1.10 0.09 0.74 6.12 0.00 0.19 -4.88 105.19 108.55 1avs n GLY 33 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.72 0.72 0.21 -0.02 0.00 -1.26 -4.93 105.19 99.18 1avs n GLY 34 Ca -0.18 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 1.24 0.70 3.33 -0.02 0.00 -1.26 -5.07 105.19 104.11 1avs n GLY 35 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.62 -0.30 -0.25 1.61 -4.77 -1.26 -4.13 116.67 104.95 1avs s ASP 36 Ca 0.00 0.04 -0.09 0.00 -3.30 0.00 0.00 52.55 49.20 1avs s ASP 36 Cb 0.00 0.42 -0.04 0.00 -1.09 0.00 0.00 42.92 42.21 1avs s ASP 36 CO 0.00 -0.65 0.12 -0.63 0.70 0.00 0.00 175.17 174.71 1avs s ILE 37 N -2.34 4.80 0.58 2.11 1.01 0.15 -4.82 121.20 122.68 1avs s ILE 37 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.58 1avs s ILE 37 Cb -0.01 -3.25 0.04 0.00 0.01 0.00 0.00 42.46 39.25 1avs s ILE 37 CO -0.01 0.33 0.82 -0.94 0.00 0.00 0.00 174.94 175.13 1avs s SER 38 N 1.44 5.17 0.44 3.58 1.04 -1.26 -0.60 113.70 123.51 1avs s SER 38 Ca 0.06 0.04 0.10 0.00 0.48 0.00 0.00 55.95 56.64 1avs s SER 38 Cb -0.15 -0.87 0.97 0.00 0.10 0.00 0.00 66.02 66.07 1avs s SER 38 CO 0.06 -1.24 2.06 0.71 0.98 0.00 0.00 173.24 175.81 1avs h THR 39 N -0.05 1.09 -0.66 2.02 1.35 -1.94 -1.31 112.91 113.41 1avs h THR 39 Ca -0.42 -0.24 -0.01 0.00 -0.55 0.00 0.00 66.41 65.19 1avs h THR 39 Cb 1.30 0.77 -0.03 0.00 -1.73 0.00 0.00 68.15 68.46 1avs h THR 39 CO 0.53 0.10 0.37 0.50 -0.25 0.00 0.00 175.52 176.77 1avs h LYS 40 N 0.34 0.91 -0.35 4.72 3.64 -1.99 0.66 116.57 124.50 1avs h LYS 40 Ca 0.09 -0.10 -0.16 0.00 -1.27 0.00 0.00 60.65 59.21 1avs h LYS 40 Cb 0.03 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1avs h LYS 40 CO -0.01 0.67 -0.40 0.93 -2.27 0.00 0.00 179.45 178.36 1avs h GLU 41 N 0.90 0.87 -0.26 1.90 5.08 -1.71 0.49 114.58 121.84 1avs h GLU 41 Ca 0.23 -0.46 -0.11 0.00 -1.00 0.00 0.00 59.36 58.02 1avs h GLU 41 Cb 0.01 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1avs h GLU 41 CO -0.04 1.10 -0.27 1.25 -1.00 0.00 0.00 179.01 180.05 1avs h LEU 42 N 0.70 0.68 -0.92 1.33 5.85 -0.98 -2.36 115.31 119.63 1avs h LEU 42 Ca 0.05 -0.48 -0.05 0.00 0.84 0.00 0.00 57.88 58.25 1avs h LEU 42 Cb 0.98 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 1avs h LEU 42 CO 0.09 1.02 0.24 1.23 -0.34 0.00 0.00 178.44 180.69 1avs h GLY 43 N 0.36 1.11 0.67 3.75 0.00 -0.79 -1.43 103.07 106.74 1avs h GLY 43 Ca 0.04 -0.61 0.07 0.00 0.00 0.00 0.00 47.33 46.82 1avs h GLY 43 CO 0.07 0.58 0.49 -0.84 0.00 0.00 0.00 176.54 176.83 1avs h THR 44 N 1.01 1.00 -0.19 4.70 2.02 -0.71 -2.52 112.91 118.22 1avs h THR 44 Ca 0.23 -0.30 -0.12 0.00 0.77 0.00 0.00 66.41 66.99 1avs h THR 44 Cb 0.24 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1avs h THR 44 CO -0.01 0.16 -0.36 0.58 0.37 0.00 0.00 175.52 176.26 1avs h VAL 45 N 0.88 1.34 -0.63 3.16 2.07 -1.00 -2.89 116.25 119.17 1avs h VAL 45 Ca 0.37 -1.59 0.06 0.00 0.82 0.00 0.00 66.70 66.36 1avs h VAL 45 Cb 0.22 1.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.82 1avs h VAL 45 CO -0.19 0.49 0.34 0.24 0.02 0.00 0.00 177.57 178.46 1avs h MET 46 N 0.24 0.60 -0.52 1.57 2.86 -1.17 -1.32 114.93 117.19 1avs h MET 46 Ca 0.01 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 1avs h MET 46 Cb 0.95 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 1avs h MET 46 CO 0.08 0.40 0.13 0.00 1.06 0.00 0.00 176.91 178.58 1avs h ARG 47 N 0.62 0.82 0.00 1.72 3.08 -1.44 0.14 114.38 119.33 1avs h ARG 47 Ca 0.29 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1avs h ARG 47 Cb 0.20 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1avs h ARG 47 CO -0.19 0.79 0.07 0.52 -1.07 0.00 0.00 179.97 180.08 1avs h MET 48 N 0.72 0.00 -0.52 0.04 2.86 -1.05 0.21 114.93 117.19 1avs h MET 48 Ca 0.16 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.61 1avs h MET 48 Cb 0.33 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.88 1avs h MET 48 CO 0.00 0.00 0.13 1.28 1.06 0.00 0.00 176.91 179.38 1avs n LEU 49 N -2.58 4.92 -3.28 1.22 4.77 0.42 -4.95 117.00 117.53 1avs n LEU 49 Ca -0.02 -3.43 -0.16 0.00 -0.03 0.00 0.00 56.01 52.37 1avs n LEU 49 Cb 0.11 -0.67 0.08 0.00 -2.33 0.00 0.00 43.42 40.62 1avs n LEU 49 CO 0.13 0.97 0.10 0.61 -1.33 0.00 0.00 177.39 177.87 1avs n GLY 50 N -0.74 -0.36 3.14 -0.72 0.00 0.73 -5.02 105.19 102.22 1avs n GLY 50 Ca 0.36 0.10 -0.14 0.00 0.00 0.00 0.00 46.02 46.33 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 -5.22 0.75 -0.49 1.61 -1.52 -0.65 -4.98 119.66 109.16 1avs s GLN 51 Ca 0.03 -1.04 0.04 0.00 -1.95 0.00 0.00 55.36 52.44 1avs s GLN 51 Cb -0.00 -0.47 0.16 0.00 -0.22 0.00 0.00 33.01 32.48 1avs s GLN 51 CO 0.69 0.08 0.36 -0.80 -0.25 0.00 0.00 175.29 175.37 1avs s ASN 52 N -2.18 2.72 0.60 5.90 -0.87 -1.26 -3.31 114.94 116.55 1avs s ASN 52 Ca 0.01 -3.19 -0.15 0.00 -1.57 0.00 0.00 52.86 47.96 1avs s ASN 52 Cb -0.05 -0.84 -0.03 0.00 -0.02 0.00 0.00 41.25 40.31 1avs s ASN 52 CO -0.00 -0.17 1.05 -2.16 -2.57 0.00 0.00 177.10 173.26 1avs s PRO 53 N -0.27 3.30 0.26 -0.60 0.04 -1.26 -5.06 135.00 131.41 1avs s PRO 53 Ca 0.28 1.16 -0.05 0.00 0.04 0.00 0.00 61.00 62.43 1avs s PRO 53 Cb -0.03 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 1avs s PRO 53 CO -0.15 -0.82 0.52 0.95 0.04 0.00 0.00 177.00 177.53 1avs s THR 54 N -2.54 5.04 0.59 1.26 -4.23 -1.26 -4.94 115.64 109.57 1avs s THR 54 Ca 0.63 0.06 0.29 0.00 -1.18 0.00 0.00 61.69 61.49 1avs s THR 54 Cb -0.15 -3.71 0.36 0.00 1.34 0.00 0.00 72.50 70.34 1avs s THR 54 CO 0.39 -0.24 2.07 0.50 -0.54 0.00 0.00 174.62 176.80 1avs h LYS 55 N 1.92 0.00 -0.09 3.99 3.64 -1.99 -0.60 116.57 123.45 1avs h LYS 55 Ca -0.47 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.83 1avs h LYS 55 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1avs h LYS 55 CO 0.67 0.00 -0.25 0.93 -2.27 0.00 0.00 179.45 178.53 1avs h GLU 56 N 0.00 0.33 0.04 1.90 5.08 -1.98 -1.74 114.58 118.20 1avs h GLU 56 Ca 0.10 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1avs h GLU 56 Cb 0.59 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 1avs h GLU 56 CO -0.00 0.85 -0.21 1.49 -1.00 0.00 0.00 179.01 180.14 1avs h GLU 57 N -0.14 -0.34 -0.87 2.33 4.81 -1.54 0.15 114.58 118.99 1avs h GLU 57 Ca -0.01 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1avs h GLU 57 Cb 0.87 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.28 1avs h GLU 57 CO 0.05 -0.23 0.57 -0.07 -0.73 0.00 0.00 179.01 178.61 1avs h LEU 58 N -0.35 0.95 -0.51 1.64 3.38 -1.24 -1.17 115.31 118.01 1avs h LEU 58 Ca 0.05 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1avs h LEU 58 Cb 0.41 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1avs h LEU 58 CO -0.17 0.67 -0.01 0.44 0.09 0.00 0.00 178.44 179.46 1avs h ASP 59 N 1.11 0.89 0.50 -0.43 3.32 -0.69 -2.29 116.42 118.83 1avs h ASP 59 Ca 0.33 -0.31 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 1avs h ASP 59 Cb -0.03 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1avs h ASP 59 CO -0.09 0.99 -0.36 0.00 -1.72 0.00 0.00 179.24 178.06 1avs h ALA 60 N 0.93 1.24 -0.13 3.45 0.00 0.45 -2.22 119.26 122.99 1avs h ALA 60 Ca 0.14 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1avs h ALA 60 Cb 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1avs h ALA 60 CO 0.03 0.45 -0.34 0.82 0.00 0.00 0.00 179.25 180.20 1avs h ILE 61 N 0.00 1.37 0.28 0.00 2.04 -1.06 -3.06 117.51 117.09 1avs h ILE 61 Ca -0.00 -1.63 -0.01 0.00 1.00 0.00 0.00 64.86 64.21 1avs h ILE 61 Cb 0.70 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 1avs h ILE 61 CO 0.05 0.49 -0.14 0.40 0.00 0.00 0.00 178.15 178.95 1avs h ILE 62 N 0.07 0.74 -0.58 -0.67 2.04 -1.28 -2.81 117.51 115.02 1avs h ILE 62 Ca -0.01 -0.17 0.17 0.00 1.00 0.00 0.00 64.86 65.85 1avs h ILE 62 Cb 0.95 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1avs h ILE 62 CO 0.07 0.04 0.55 -0.08 0.00 0.00 0.00 178.15 178.74 1avs h GLU 63 N -0.47 0.00 -0.11 2.37 4.81 -1.45 0.42 114.58 120.15 1avs h GLU 63 Ca -0.04 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 1avs h GLU 63 Cb 0.35 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1avs h GLU 63 CO 0.06 0.00 -0.29 1.49 -0.73 0.00 0.00 179.01 179.54 1avs h GLU 64 N 0.00 0.20 -0.00 1.92 4.57 -1.38 -3.25 114.58 116.64 1avs h GLU 64 Ca 0.28 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1avs h GLU 64 Cb 1.38 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.96 1avs h GLU 64 CO -0.00 0.48 -0.18 1.33 -1.18 0.00 0.00 179.01 179.46 1avs n VAL 65 N -4.14 0.00 -2.25 0.32 0.24 0.12 -4.93 118.33 107.70 1avs n VAL 65 Ca -0.01 -0.41 -0.35 0.00 -2.04 0.00 0.00 64.34 61.53 1avs n VAL 65 Cb 0.38 1.04 -0.04 0.00 -1.47 0.00 0.00 33.84 33.75 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 -1.21 5.66 0.32 -1.34 2.15 0.24 -4.82 116.67 117.67 1avs s ASP 66 Ca 0.04 -0.67 0.17 0.00 0.43 0.00 0.00 52.55 52.51 1avs s ASP 66 Cb 0.04 -2.56 0.32 0.00 -0.30 0.00 0.00 42.92 40.43 1avs s ASP 66 CO 0.18 -2.23 1.56 -0.33 -0.17 0.00 0.00 175.17 174.18 1avs h GLU 67 N 11.42 0.00 -0.56 4.34 4.39 -1.90 -3.29 114.58 128.98 1avs h GLU 67 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1avs h GLU 67 Cb 1.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1avs h GLU 67 CO 1.28 0.45 0.00 -0.40 -1.16 0.00 0.00 179.01 179.18 1avs n ASP 68 N -3.33 3.62 -0.42 1.42 5.75 -1.26 -4.95 116.55 117.37 1avs n ASP 68 Ca 0.01 -2.06 -0.06 0.00 -0.01 0.00 0.00 54.79 52.67 1avs n ASP 68 Cb 0.65 -0.40 -0.02 0.00 -1.03 0.00 0.00 41.12 40.31 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 1.11 0.75 0.08 6.12 0.00 -1.24 -4.88 105.19 107.12 1avs n GLY 69 Ca 0.19 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.07 0.48 0.00 1.61 3.41 -1.26 -4.87 113.62 112.92 1avs n SER 70 Ca -0.06 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1avs n SER 70 Cb 0.30 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 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 0.75 0.54 3.06 5.00 0.00 -1.26 -5.00 105.19 108.27 1avs n GLY 71 Ca 0.04 0.00 -0.08 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 -2.12 0.16 -0.30 2.61 -4.23 -1.26 -4.61 115.64 105.89 1avs s THR 72 Ca 0.00 -1.36 -0.13 0.00 -1.18 0.00 0.00 61.69 59.02 1avs s THR 72 Cb 0.00 -0.96 -0.03 0.00 1.34 0.00 0.00 72.50 72.84 1avs s THR 72 CO 0.00 -0.75 0.27 -0.63 -0.54 0.00 0.00 174.62 172.97 1avs s ILE 73 N -2.82 5.25 0.69 2.99 1.01 0.23 -4.82 121.20 123.73 1avs s ILE 73 Ca -0.03 0.16 -0.00 0.00 0.00 0.00 0.00 60.65 60.78 1avs s ILE 73 Cb 0.00 -3.65 0.11 0.00 0.01 0.00 0.00 42.46 38.93 1avs s ILE 73 CO -0.06 0.12 0.96 1.51 0.00 0.00 0.00 174.94 177.47 1avs s ASP 74 N 1.72 4.49 0.24 3.58 1.47 -1.26 0.29 116.67 127.21 1avs s ASP 74 Ca 0.09 -0.35 -0.07 0.00 1.18 0.00 0.00 52.55 53.41 1avs s ASP 74 Cb -0.16 -0.10 0.25 0.00 -0.34 0.00 0.00 42.92 42.57 1avs s ASP 74 CO 0.11 -1.75 1.90 0.15 0.68 0.00 0.00 175.17 176.25 1avs h PHE 75 N -0.42 1.13 -0.01 2.11 3.57 -1.99 0.94 116.94 122.27 1avs h PHE 75 Ca -0.37 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.16 1avs h PHE 75 Cb 1.27 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 1avs h PHE 75 CO -0.09 0.68 -0.00 0.93 -2.23 0.00 0.00 178.31 177.60 1avs h GLU 76 N 1.19 -0.00 0.00 1.11 3.07 -1.95 -1.99 114.58 116.01 1avs h GLU 76 Ca 0.35 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 59.13 1avs h GLU 76 Cb -0.07 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 1avs h GLU 76 CO -0.10 -0.00 -0.40 0.93 -1.40 0.00 0.00 179.01 178.04 1avs h GLU 77 N -0.00 0.00 -0.40 2.33 5.08 -1.79 -2.90 114.58 116.90 1avs h GLU 77 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 1avs h GLU 77 Cb 0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1avs h GLU 77 CO -0.01 0.40 -0.11 0.35 -1.00 0.00 0.00 179.01 178.65 1avs h PHE 78 N 0.00 0.76 -0.28 4.33 3.57 -0.43 -2.48 116.94 122.41 1avs h PHE 78 Ca -0.00 -0.13 0.06 0.00 3.53 0.00 0.00 57.97 61.43 1avs h PHE 78 Cb 0.73 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 39.20 1avs h PHE 78 CO 0.00 0.77 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.60 1avs h LEU 79 N 0.64 -0.62 -0.06 0.59 3.38 -1.15 -1.76 115.31 116.33 1avs h LEU 79 Ca 0.11 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.25 1avs h LEU 79 Cb 0.56 0.31 -0.06 0.00 0.09 0.00 0.00 40.66 41.56 1avs h LEU 79 CO 0.03 -0.23 -0.31 0.58 0.09 0.00 0.00 178.44 178.60 1avs h VAL 80 N -0.17 0.31 -0.99 1.22 2.07 -1.58 0.14 116.25 117.25 1avs h VAL 80 Ca 0.15 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.84 1avs h VAL 80 Cb 0.40 0.31 -0.10 0.00 -1.52 0.00 0.00 31.29 30.37 1avs h VAL 80 CO -0.38 0.00 0.60 -0.03 0.02 0.00 0.00 177.57 177.78 1avs h MET 81 N -0.43 0.76 0.02 1.57 1.85 -1.13 -1.04 114.93 116.53 1avs h MET 81 Ca 0.08 -0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 59.12 1avs h MET 81 Cb 0.55 -0.17 0.00 0.00 0.43 0.00 0.00 31.60 32.40 1avs h MET 81 CO -0.30 0.51 -0.01 0.52 -0.40 0.00 0.00 176.91 177.22 1avs h MET 82 N 0.79 -0.03 0.39 0.39 2.07 -0.61 -2.33 114.93 115.59 1avs h MET 82 Ca 0.56 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 58.17 1avs h MET 82 Cb 0.81 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.55 1avs h MET 82 CO -0.36 0.25 -0.19 0.28 1.07 0.00 0.00 176.91 177.96 1avs h VAL 83 N -0.32 0.61 -0.52 -2.22 2.07 -0.06 -1.92 116.25 113.89 1avs h VAL 83 Ca -0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 1avs h VAL 83 Cb 0.30 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1avs h VAL 83 CO 0.01 0.00 0.47 0.03 0.02 0.00 0.00 177.57 178.10 1avs h ARG 84 N -0.53 0.00 -0.29 1.57 3.08 -1.27 0.91 114.38 117.86 1avs h ARG 84 Ca -0.05 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 1avs h ARG 84 Cb 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 1avs h ARG 84 CO 0.08 0.00 -0.28 0.37 -1.07 0.00 0.00 179.97 179.07 1avs h GLN 85 N 0.00 0.70 0.47 0.04 5.75 -0.99 -3.21 115.11 117.87 1avs h GLN 85 Ca 0.25 -0.36 -0.01 0.00 -0.15 0.00 0.00 58.65 58.37 1avs h GLN 85 Cb 1.19 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.73 1avs h GLN 85 CO -0.00 0.98 -0.44 0.52 -2.65 0.00 0.00 178.83 177.24 1avs h MET 86 N 0.44 -0.88 0.00 1.69 2.86 0.16 -3.51 114.93 115.69 1avs h MET 86 Ca 0.05 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1avs h MET 86 Cb 0.85 0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.71 1avs h MET 86 CO 0.07 -0.59 0.00 1.17 1.06 0.00 0.00 176.91 178.62