#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wrl n ILE 4 N 0.00 0.90 0.06 0.53 3.06 -1.26 -2.42 119.36 120.23 1wrl n ILE 4 Ca 0.00 0.25 -0.09 0.00 -2.50 0.00 0.00 62.75 60.41 1wrl n ILE 4 Cb 0.00 -1.11 -0.13 0.00 0.54 0.00 0.00 39.64 38.94 1wrl n ILE 4 CO 0.00 0.00 0.00 1.88 -2.50 0.00 0.00 176.55 175.93 1wrl h TYR 5 N 0.00 0.10 0.00 9.51 0.05 -2.00 -3.18 116.97 121.45 1wrl h TYR 5 Ca 0.00 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.71 1wrl h TYR 5 Cb 0.32 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.05 1wrl h TYR 5 CO 0.00 1.06 0.00 1.17 -1.05 0.00 0.00 178.16 179.34 1wrl n LYS 6 N -3.36 0.11 -0.07 4.88 4.81 -1.02 -1.90 118.16 121.60 1wrl n LYS 6 Ca -0.03 0.59 -0.13 0.00 -0.87 0.00 0.00 58.31 57.87 1wrl n LYS 6 Cb 0.97 -1.84 -0.11 0.00 0.02 0.00 0.00 35.03 34.07 1wrl n LYS 6 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wrl h ALA 7 N 2.02 0.04 -0.76 3.14 0.00 -1.71 -3.29 119.26 118.71 1wrl h ALA 7 Ca 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1wrl h ALA 7 Cb 0.02 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1wrl h ALA 7 CO 0.00 0.13 0.40 0.00 0.00 0.00 0.00 179.25 179.78 1wrl h ALA 8 N -0.25 0.97 -0.92 0.00 0.00 -1.53 -1.93 119.26 115.60 1wrl h ALA 8 Ca -0.06 -0.13 0.19 0.00 0.00 0.00 0.00 54.91 54.92 1wrl h ALA 8 Cb 0.90 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1wrl h ALA 8 CO -0.03 0.50 0.60 0.28 0.00 0.00 0.00 179.25 180.59 1wrl h VAL 9 N 1.05 0.70 0.00 0.00 2.07 -1.53 0.76 116.25 119.30 1wrl h VAL 9 Ca 0.26 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1wrl h VAL 9 Cb 0.06 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1wrl h VAL 9 CO -0.04 0.09 0.00 -0.08 0.02 0.00 0.00 177.57 177.56 1wrl h GLU 10 N 0.50 0.00 -1.04 1.57 4.57 -1.41 -2.98 114.58 115.78 1wrl h GLU 10 Ca 0.49 0.00 -0.46 0.00 -1.18 0.00 0.00 59.36 58.21 1wrl h GLU 10 Cb 1.08 0.00 -0.25 0.00 -0.16 0.00 0.00 28.75 29.42 1wrl h GLU 10 CO -0.21 0.00 0.59 1.04 -1.18 0.00 0.00 179.01 179.24 1wrl n GLN 11 N -2.85 2.12 -3.75 1.92 6.02 0.26 -4.85 117.38 116.26 1wrl n GLN 11 Ca 0.01 -2.53 -0.38 0.00 -0.01 0.00 0.00 57.00 54.09 1wrl n GLN 11 Cb 0.28 -1.99 -0.12 0.00 1.02 0.00 0.00 30.24 29.43 1wrl n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1wrl s LEU 12 N -2.82 4.49 0.29 1.08 1.43 -1.13 -5.07 118.68 116.96 1wrl s LEU 12 Ca 0.48 -1.29 -0.27 0.00 -1.03 0.00 0.00 54.13 52.03 1wrl s LEU 12 Cb 0.40 -1.87 -0.15 0.00 0.03 0.00 0.00 46.19 44.61 1wrl s LEU 12 CO 0.07 -0.37 0.78 0.35 0.23 0.00 0.00 176.35 177.41 1wrl n THR 13 N 4.79 1.96 -0.58 5.49 -2.24 -1.26 -4.55 114.28 117.88 1wrl n THR 13 Ca -0.11 -0.50 0.47 0.00 -2.27 0.00 0.00 64.05 61.64 1wrl n THR 13 Cb 0.44 -0.63 0.79 0.00 -2.10 0.00 0.00 70.33 68.83 1wrl n THR 13 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1wrl h GLU 14 N 1.48 0.00 0.76 -0.78 4.81 -1.98 0.18 114.58 119.04 1wrl h GLU 14 Ca -0.36 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.83 1wrl h GLU 14 Cb 1.38 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.77 1wrl h GLU 14 CO 0.58 0.00 -0.36 1.49 -0.73 0.00 0.00 179.01 179.98 1wrl h GLU 15 N 0.00 -0.98 -0.97 1.92 4.81 -2.00 -2.01 114.58 115.36 1wrl h GLU 15 Ca 0.82 0.07 0.19 0.00 -0.13 0.00 0.00 59.36 60.30 1wrl h GLU 15 Cb 3.32 0.22 -0.11 0.00 0.63 0.00 0.00 28.75 32.82 1wrl h GLU 15 CO -0.01 -0.65 0.56 1.96 -0.73 0.00 0.00 179.01 180.14 1wrl h GLN 16 N -1.27 0.69 -0.02 1.92 4.20 -0.96 0.43 115.11 120.10 1wrl h GLN 16 Ca -0.10 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.48 1wrl h GLN 16 Cb 0.78 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1wrl h GLN 16 CO 0.17 0.46 -0.39 0.87 -0.67 0.00 0.00 178.83 179.26 1wrl h LYS 17 N 0.71 0.04 -0.13 1.46 1.57 -1.45 -2.12 116.57 116.65 1wrl h LYS 17 Ca 0.56 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 59.23 1wrl h LYS 17 Cb 0.87 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1wrl h LYS 17 CO -0.39 0.42 -0.28 -0.91 -0.57 0.00 0.00 179.45 177.73 1wrl h ASN 18 N 0.03 0.47 -0.24 0.86 2.35 0.51 -2.08 115.58 117.46 1wrl h ASN 18 Ca 0.00 -0.56 0.06 0.00 -0.55 0.00 0.00 56.30 55.24 1wrl h ASN 18 Cb 0.71 -0.13 -0.06 0.00 0.05 0.00 0.00 38.32 38.89 1wrl h ASN 18 CO 0.05 0.94 -0.13 -0.33 -1.65 0.00 0.00 177.43 176.32 1wrl h GLU 19 N 0.01 -0.10 -0.18 0.81 5.08 -0.61 0.26 114.58 119.84 1wrl h GLU 19 Ca 0.00 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1wrl h GLU 19 Cb 0.87 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1wrl h GLU 19 CO 0.06 -0.06 -0.08 0.74 -1.00 0.00 0.00 179.01 178.66 1wrl h PHE 20 N -0.10 0.29 -0.57 4.33 0.04 -1.42 0.25 116.94 119.75 1wrl h PHE 20 Ca 0.13 -0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.78 1wrl h PHE 20 Cb 0.30 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 1wrl h PHE 20 CO -0.30 0.37 -0.00 -0.22 -0.60 0.00 0.00 178.31 177.55 1wrl h LYS 21 N 0.27 1.02 -0.66 1.51 1.63 -0.43 0.54 116.57 120.45 1wrl h LYS 21 Ca 0.06 -0.33 -0.04 0.00 -0.85 0.00 0.00 60.65 59.49 1wrl h LYS 21 Cb 0.32 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.83 1wrl h LYS 21 CO 0.02 1.01 0.25 0.00 -3.45 0.00 0.00 179.45 177.28 1wrl h ALA 22 N 0.97 1.21 -0.04 5.00 0.00 0.64 0.97 119.26 128.01 1wrl h ALA 22 Ca 0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1wrl h ALA 22 Cb 0.55 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1wrl h ALA 22 CO 0.03 0.57 -0.05 0.00 0.00 0.00 0.00 179.25 179.80 1wrl h ALA 23 N 1.33 0.06 -0.45 0.00 0.00 -0.34 -2.79 119.26 117.07 1wrl h ALA 23 Ca 0.22 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1wrl h ALA 23 Cb 0.20 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1wrl h ALA 23 CO -0.02 -0.13 0.14 0.35 0.00 0.00 0.00 179.25 179.59 1wrl h PHE 24 N -0.37 0.24 -0.27 0.00 3.57 0.35 -2.02 116.94 118.43 1wrl h PHE 24 Ca 0.01 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.58 1wrl h PHE 24 Cb 0.59 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 1wrl h PHE 24 CO 0.10 0.07 -0.00 -0.44 -2.23 0.00 0.00 178.31 175.81 1wrl h ASP 25 N 0.29 -0.11 0.82 0.41 3.45 -0.82 -1.21 116.42 119.25 1wrl h ASP 25 Ca 0.22 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.74 1wrl h ASP 25 Cb 0.24 0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.12 1wrl h ASP 25 CO -0.24 -0.02 0.00 -0.29 -1.57 0.00 0.00 179.24 177.11 1wrl h ILE 26 N 0.08 0.00 0.16 0.35 2.10 -1.20 -2.65 117.51 116.35 1wrl h ILE 26 Ca 0.13 -0.41 -0.30 0.00 1.08 0.00 0.00 64.86 65.36 1wrl h ILE 26 Cb 0.17 1.41 0.02 0.00 -1.09 0.00 0.00 36.82 37.33 1wrl h ILE 26 CO -0.22 0.00 -1.30 -0.26 -1.08 0.00 0.00 178.15 175.29 1wrl h PHE 27 N 0.00 0.83 0.00 2.19 0.04 -0.52 -3.31 116.94 116.16 1wrl h PHE 27 Ca 0.00 -0.57 0.00 0.00 2.80 0.00 0.00 57.97 60.20 1wrl h PHE 27 Cb 0.41 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.51 1wrl h PHE 27 CO 0.00 1.42 -0.12 1.33 -0.60 0.00 0.00 178.31 180.34 1wrl n VAL 28 N -3.69 0.51 -1.42 -0.55 0.24 -0.67 -4.85 118.33 107.90 1wrl n VAL 28 Ca -0.13 -0.27 -0.49 0.00 -2.04 0.00 0.00 64.34 61.42 1wrl n VAL 28 Cb 1.03 -0.49 -0.10 0.00 -1.47 0.00 0.00 33.84 32.81 1wrl n VAL 28 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1wrl n LEU 29 N -2.19 1.37 0.00 1.34 4.77 -1.02 -2.84 117.00 118.44 1wrl n LEU 29 Ca 0.05 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1wrl n LEU 29 Cb 0.43 -1.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 1wrl n LEU 29 CO 0.31 -0.84 0.00 0.61 -1.33 0.00 0.00 177.39 176.14 1wrl n GLY 30 N 6.71 0.83 3.36 -0.72 0.00 -1.26 -5.09 105.19 109.03 1wrl n GLY 30 Ca 0.50 -0.78 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 1wrl n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wrl s ALA 31 N -1.84 1.00 -0.25 4.61 0.00 -1.13 -5.05 121.76 119.11 1wrl s ALA 31 Ca 0.00 -1.61 -0.14 0.00 0.00 0.00 0.00 51.96 50.21 1wrl s ALA 31 Cb 0.00 1.30 -0.16 0.00 0.00 0.00 0.00 23.12 24.26 1wrl s ALA 31 CO 0.00 -0.71 -0.13 -1.91 0.00 0.00 0.00 175.76 173.02 1wrl n GLU 32 N -0.46 0.60 -0.17 0.00 0.00 -1.26 -4.43 120.64 114.93 1wrl n GLU 32 Ca 0.02 0.34 0.12 0.00 0.00 0.00 0.00 57.16 57.64 1wrl n GLU 32 Cb 0.63 -1.58 0.20 0.00 0.00 0.00 0.00 31.44 30.69 1wrl n GLU 32 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1wrl n ASP 33 N -4.13 3.41 -3.55 4.31 5.75 -1.26 -4.96 116.55 116.12 1wrl n ASP 33 Ca -0.46 -1.99 -0.21 0.00 -0.01 0.00 0.00 54.79 52.13 1wrl n ASP 33 Cb 0.85 -0.23 0.08 0.00 -1.03 0.00 0.00 41.12 40.79 1wrl n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wrl n GLY 34 N 1.46 -0.44 3.16 6.12 0.00 -1.26 -5.00 105.19 109.23 1wrl n GLY 34 Ca 0.19 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 46.26 1wrl n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wrl s SER 35 N -3.87 -0.06 -0.06 1.61 0.01 -1.26 -4.98 113.70 105.09 1wrl s SER 35 Ca 0.29 -0.10 -0.29 0.00 1.31 0.00 0.00 55.95 57.15 1wrl s SER 35 Cb -0.13 0.25 -0.06 0.00 0.21 0.00 0.00 66.02 66.29 1wrl s SER 35 CO 0.74 -0.41 1.86 -0.63 0.41 0.00 0.00 173.24 175.21 1wrl s ILE 36 N -1.43 3.28 0.25 1.44 1.01 -0.85 -4.71 121.20 120.19 1wrl s ILE 36 Ca -0.14 0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.87 1wrl s ILE 36 Cb -0.06 -3.24 0.02 0.00 0.01 0.00 0.00 42.46 39.19 1wrl s ILE 36 CO 0.02 -0.06 0.20 -1.54 0.00 0.00 0.00 174.94 173.56 1wrl n SER 37 N 8.11 1.69 0.07 3.58 3.41 -1.26 -0.01 113.62 129.21 1wrl n SER 37 Ca 0.20 -1.83 0.10 0.00 -0.26 0.00 0.00 58.87 57.08 1wrl n SER 37 Cb 0.43 -0.04 0.41 0.00 -0.26 0.00 0.00 64.21 64.75 1wrl n SER 37 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1wrl n THR 38 N -1.14 0.88 0.06 6.66 -2.24 -1.26 -2.07 114.28 115.18 1wrl n THR 38 Ca -0.00 0.22 -0.22 0.00 -2.27 0.00 0.00 64.05 61.79 1wrl n THR 38 Cb 0.28 -1.06 -0.15 0.00 -2.10 0.00 0.00 70.33 67.30 1wrl n THR 38 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1wrl h LYS 39 N 0.00 0.35 0.01 -0.78 3.64 -1.98 -2.88 116.57 114.93 1wrl h LYS 39 Ca 0.00 -0.59 -0.27 0.00 -1.27 0.00 0.00 60.65 58.52 1wrl h LYS 39 Cb 0.32 0.22 0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1wrl h LYS 39 CO 0.00 1.28 -1.07 0.93 -2.27 0.00 0.00 179.45 178.32 1wrl h GLU 40 N -0.22 0.69 0.00 1.90 3.07 -1.87 -2.51 114.58 115.64 1wrl h GLU 40 Ca -0.21 -0.77 -0.04 0.00 -0.50 0.00 0.00 59.36 57.85 1wrl h GLU 40 Cb 1.80 0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 29.93 1wrl h GLU 40 CO 0.16 1.33 -0.17 1.25 -1.40 0.00 0.00 179.01 180.19 1wrl h LEU 41 N 0.38 0.00 0.13 1.33 5.85 -1.57 -1.00 115.31 120.43 1wrl h LEU 41 Ca -0.14 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.29 1wrl h LEU 41 Cb 1.72 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.78 1wrl h LEU 41 CO 0.21 0.17 -1.28 1.23 -0.34 0.00 0.00 178.44 178.43 1wrl h GLY 42 N 0.76 0.52 0.91 3.75 0.00 -1.47 -2.65 103.07 104.89 1wrl h GLY 42 Ca -0.00 -1.21 -0.04 0.00 0.00 0.00 0.00 47.33 46.09 1wrl h GLY 42 CO 0.02 1.06 0.07 1.70 0.00 0.00 0.00 176.54 179.39 1wrl h LYS 43 N 0.16 0.55 0.09 4.80 3.64 -1.02 -0.95 116.57 123.85 1wrl h LYS 43 Ca -0.18 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1wrl h LYS 43 Cb 1.98 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.72 1wrl h LYS 43 CO 0.23 0.62 -0.08 0.28 -2.27 0.00 0.00 179.45 178.22 1wrl h VAL 44 N 0.40 0.81 -0.41 2.00 2.07 -1.27 -2.02 116.25 117.82 1wrl h VAL 44 Ca 0.11 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.57 1wrl h VAL 44 Cb 0.32 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1wrl h VAL 44 CO 0.00 0.00 0.01 0.24 0.02 0.00 0.00 177.57 177.85 1wrl h MET 45 N -0.19 0.65 -0.58 1.57 2.86 -1.41 -2.80 114.93 115.04 1wrl h MET 45 Ca 0.00 -0.15 -0.05 0.00 -2.06 0.00 0.00 59.70 57.44 1wrl h MET 45 Cb 0.18 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1wrl h MET 45 CO -0.02 0.67 0.17 0.00 1.06 0.00 0.00 176.91 178.78 1wrl h ARG 46 N 0.62 0.90 0.00 1.72 3.08 -0.93 -1.19 114.38 118.58 1wrl h ARG 46 Ca 0.13 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1wrl h ARG 46 Cb 0.37 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1wrl h ARG 46 CO 0.01 0.82 0.00 0.00 -1.07 0.00 0.00 179.97 179.73 1wrl n MET 47 N -4.41 0.37 -0.41 0.04 0.00 -0.78 -1.21 117.12 110.71 1wrl n MET 47 Ca 0.03 0.07 0.08 0.00 0.00 0.00 0.00 57.70 57.88 1wrl n MET 47 Cb 0.21 -1.50 0.25 0.00 0.00 0.00 0.00 33.22 32.18 1wrl n MET 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1wrl n LEU 48 N -1.15 3.80 0.00 3.17 4.77 -0.54 -4.96 117.00 122.09 1wrl n LEU 48 Ca 0.10 -2.72 0.00 0.00 -0.03 0.00 0.00 56.01 53.36 1wrl n LEU 48 Cb 0.09 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1wrl n LEU 48 CO 0.11 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1wrl n GLY 49 N -0.09 1.63 3.95 -0.72 0.00 -0.35 -5.04 105.19 104.56 1wrl n GLY 49 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1wrl n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wrl s GLN 50 N -0.30 2.15 -0.46 1.61 -1.52 -0.65 -4.99 119.66 115.50 1wrl s GLN 50 Ca 0.00 -0.46 0.07 0.00 -1.95 0.00 0.00 55.36 53.02 1wrl s GLN 50 Cb 0.00 -2.24 0.25 0.00 -0.22 0.00 0.00 33.01 30.80 1wrl s GLN 50 CO 0.00 -1.20 0.77 -1.71 -0.25 0.00 0.00 175.29 172.90 1wrl n ASN 51 N -2.83 -1.84 -4.80 5.90 4.05 -1.26 -3.95 115.26 110.53 1wrl n ASN 51 Ca 0.09 -3.11 -0.34 0.00 0.45 0.00 0.00 54.58 51.66 1wrl n ASN 51 Cb 0.60 1.00 -0.06 0.00 1.23 0.00 0.00 39.78 42.56 1wrl n ASN 51 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1wrl s PRO 52 N 0.04 4.20 0.38 1.20 0.04 -1.26 -5.06 135.00 134.54 1wrl s PRO 52 Ca 0.33 1.25 -0.16 0.00 0.04 0.00 0.00 61.00 62.46 1wrl s PRO 52 Cb 0.21 -2.32 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 1wrl s PRO 52 CO -0.20 -0.06 0.83 0.95 0.04 0.00 0.00 177.00 178.56 1wrl s THR 53 N -1.98 4.59 0.37 1.26 -4.23 -1.26 -4.82 115.64 109.58 1wrl s THR 53 Ca 0.60 1.09 0.20 0.00 -1.18 0.00 0.00 61.69 62.40 1wrl s THR 53 Cb -0.14 -3.63 0.37 0.00 1.34 0.00 0.00 72.50 70.44 1wrl s THR 53 CO 0.18 -0.32 1.64 -0.65 -0.54 0.00 0.00 174.62 174.92 1wrl h PRO 54 N 1.88 0.18 -0.45 3.99 0.11 -1.97 0.59 132.00 136.34 1wrl h PRO 54 Ca -0.48 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 1wrl h PRO 54 Cb 1.18 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1wrl h PRO 54 CO 0.63 0.12 0.10 0.93 -0.21 0.00 0.00 178.00 179.58 1wrl h GLU 55 N 0.19 0.72 -0.58 1.05 3.07 -1.99 0.78 114.58 117.82 1wrl h GLU 55 Ca 0.78 -0.18 -0.06 0.00 -0.50 0.00 0.00 59.36 59.40 1wrl h GLU 55 Cb 2.03 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 29.82 1wrl h GLU 55 CO -0.59 0.73 0.13 0.93 -1.40 0.00 0.00 179.01 178.80 1wrl h GLU 56 N 0.60 0.94 -0.65 2.33 5.08 -0.28 -0.79 114.58 121.81 1wrl h GLU 56 Ca 0.14 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 1wrl h GLU 56 Cb 0.33 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1wrl h GLU 56 CO 0.00 0.88 0.19 -0.07 -1.00 0.00 0.00 179.01 179.01 1wrl h LEU 57 N 0.85 0.94 0.41 1.33 3.38 -0.77 -2.52 115.31 118.93 1wrl h LEU 57 Ca 0.18 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1wrl h LEU 57 Cb 0.37 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1wrl h LEU 57 CO 0.00 0.89 -0.20 -0.61 0.09 0.00 0.00 178.44 178.62 1wrl h GLN 58 N 0.97 -0.53 -0.90 1.13 5.75 -0.42 -2.79 115.11 118.32 1wrl h GLN 58 Ca 0.21 0.04 0.20 0.00 -0.15 0.00 0.00 58.65 58.94 1wrl h GLN 58 Cb 0.30 0.12 -0.11 0.00 1.07 0.00 0.00 27.48 28.86 1wrl h GLN 58 CO -0.01 -0.27 0.44 1.49 -2.65 0.00 0.00 178.83 177.83 1wrl h GLU 59 N -0.71 0.50 -0.72 1.69 4.22 -1.07 0.21 114.58 118.69 1wrl h GLU 59 Ca -0.06 -0.03 0.01 0.00 0.08 0.00 0.00 59.36 59.37 1wrl h GLU 59 Cb 0.51 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1wrl h GLU 59 CO 0.09 0.33 0.48 0.52 -2.18 0.00 0.00 179.01 178.25 1wrl h MET 60 N 0.52 0.93 0.02 1.92 2.86 -1.28 -2.19 114.93 117.70 1wrl h MET 60 Ca 0.54 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 58.12 1wrl h MET 60 Cb 0.93 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1wrl h MET 60 CO -0.46 0.61 -0.01 0.82 1.06 0.00 0.00 176.91 178.93 1wrl h ILE 61 N 0.95 0.65 -0.73 -1.22 2.04 -0.43 -3.32 117.51 115.46 1wrl h ILE 61 Ca 0.27 -1.45 0.21 0.00 1.00 0.00 0.00 64.86 64.89 1wrl h ILE 61 Cb -0.07 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1wrl h ILE 61 CO -0.06 0.22 0.62 0.44 0.00 0.00 0.00 178.15 179.36 1wrl h ASP 62 N -1.00 0.00 -0.05 1.72 3.32 -1.02 -0.10 116.42 119.30 1wrl h ASP 62 Ca -0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1wrl h ASP 62 Cb 0.37 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 1wrl h ASP 62 CO 0.00 0.00 0.06 -0.08 -1.72 0.00 0.00 179.24 177.51 1wrl h GLU 63 N 0.00 0.00 0.00 3.56 4.81 -1.49 -3.12 114.58 118.34 1wrl h GLU 63 Ca 0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1wrl h GLU 63 Cb 1.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.96 1wrl h GLU 63 CO -0.00 0.00 0.00 1.33 -0.73 0.00 0.00 179.01 179.61 1wrl n VAL 64 N -3.78 0.08 -0.84 0.32 0.24 -0.19 -4.91 118.33 109.25 1wrl n VAL 64 Ca -0.02 -0.20 -0.27 0.00 -2.04 0.00 0.00 64.34 61.81 1wrl n VAL 64 Cb 0.15 1.47 -0.03 0.00 -1.47 0.00 0.00 33.84 33.96 1wrl n VAL 64 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1wrl n ASP 65 N -0.04 4.35 0.18 -1.34 4.64 -0.39 -4.66 116.55 119.29 1wrl n ASP 65 Ca 0.00 -2.41 -0.14 0.00 -1.38 0.00 0.00 54.79 50.86 1wrl n ASP 65 Cb 0.23 -1.10 -0.07 0.00 -1.04 0.00 0.00 41.12 39.14 1wrl n ASP 65 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 1wrl h GLU 66 N 6.67 -0.52 0.00 -0.67 4.39 -1.89 -1.76 114.58 120.80 1wrl h GLU 66 Ca 0.48 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.21 1wrl h GLU 66 Cb 0.28 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1wrl h GLU 66 CO 1.57 -0.35 0.00 -0.40 -1.16 0.00 0.00 179.01 178.67 1wrl n ASP 67 N -5.37 0.00 -2.90 1.42 3.85 -1.26 -4.89 116.55 107.40 1wrl n ASP 67 Ca -0.09 -0.08 -0.02 0.00 -0.71 0.00 0.00 54.79 53.89 1wrl n ASP 67 Cb 0.28 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 40.04 1wrl n ASP 67 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1wrl n GLY 68 N -0.83 -2.35 0.00 6.12 0.00 -0.66 -4.98 105.19 102.48 1wrl n GLY 68 Ca 0.02 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1wrl n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wrl n SER 69 N 1.76 0.00 0.00 1.61 3.41 -1.26 -5.03 113.62 114.10 1wrl n SER 69 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1wrl n SER 69 Cb 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1wrl n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wrl n GLY 70 N -0.01 1.80 3.82 5.00 0.00 -1.26 -5.08 105.19 109.46 1wrl n GLY 70 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1wrl n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wrl s THR 71 N -1.88 2.00 -0.13 2.61 -4.23 -1.26 -4.72 115.64 108.02 1wrl s THR 71 Ca 0.00 -1.60 0.01 0.00 -1.18 0.00 0.00 61.69 58.92 1wrl s THR 71 Cb 0.00 -2.60 -0.00 0.00 1.34 0.00 0.00 72.50 71.24 1wrl s THR 71 CO 0.00 0.00 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.22 1wrl s VAL 72 N -2.67 2.58 0.52 2.29 1.01 0.99 -4.86 120.40 120.26 1wrl s VAL 72 Ca 0.36 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1wrl s VAL 72 Cb 0.00 -2.06 0.03 0.00 0.00 0.00 0.00 36.38 34.35 1wrl s VAL 72 CO 0.21 0.53 0.73 1.51 0.00 0.00 0.00 175.10 178.08 1wrl s ASP 73 N 0.55 5.37 0.58 3.32 3.84 -1.26 -2.00 116.67 127.07 1wrl s ASP 73 Ca -0.11 -0.10 0.28 0.00 -0.00 0.00 0.00 52.55 52.62 1wrl s ASP 73 Cb -0.16 -0.83 1.62 0.00 -1.38 0.00 0.00 42.92 42.16 1wrl s ASP 73 CO 0.04 -1.05 2.09 0.15 -0.00 0.00 0.00 175.17 176.40 1wrl h PHE 74 N 0.20 0.00 -0.04 2.11 3.57 -1.99 -0.75 116.94 120.05 1wrl h PHE 74 Ca -0.42 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.06 1wrl h PHE 74 Cb 1.29 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.03 1wrl h PHE 74 CO 0.38 0.00 -0.05 -0.44 -2.23 0.00 0.00 178.31 175.96 1wrl h ASP 75 N 0.00 0.12 -0.64 0.41 3.45 -2.01 -2.78 116.42 114.97 1wrl h ASP 75 Ca 0.10 -0.52 -0.08 0.00 0.43 0.00 0.00 57.03 56.95 1wrl h ASP 75 Cb 0.51 -0.03 -0.03 0.00 -0.56 0.00 0.00 39.33 39.22 1wrl h ASP 75 CO -0.00 0.62 0.10 -0.33 -1.57 0.00 0.00 179.24 178.06 1wrl h GLU 76 N -0.38 1.08 -0.47 3.56 5.08 -1.70 -3.08 114.58 118.67 1wrl h GLU 76 Ca 0.00 -0.29 0.09 0.00 -1.00 0.00 0.00 59.36 58.16 1wrl h GLU 76 Cb 0.59 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.64 1wrl h GLU 76 CO 0.01 0.99 0.03 0.35 -1.00 0.00 0.00 179.01 179.40 1wrl h PHE 77 N 1.01 0.04 -0.76 4.33 3.57 -1.16 0.30 116.94 124.27 1wrl h PHE 77 Ca 0.20 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.75 1wrl h PHE 77 Cb 0.44 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 1wrl h PHE 77 CO 0.03 -0.07 0.50 -0.07 -2.23 0.00 0.00 178.31 176.48 1wrl h LEU 78 N 0.15 0.84 -0.53 0.59 3.38 -1.40 0.78 115.31 119.12 1wrl h LEU 78 Ca 0.23 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 1wrl h LEU 78 Cb 0.33 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1wrl h LEU 78 CO -0.36 0.60 0.02 0.58 0.09 0.00 0.00 178.44 179.37 1wrl h VAL 79 N 0.99 1.26 -0.54 1.22 2.07 -1.19 -0.31 116.25 119.74 1wrl h VAL 79 Ca 0.29 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 1wrl h VAL 79 Cb -0.05 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1wrl h VAL 79 CO -0.07 0.38 0.23 -0.03 0.02 0.00 0.00 177.57 178.10 1wrl h MET 80 N 0.80 0.78 -0.04 1.57 1.85 0.35 1.54 114.93 121.78 1wrl h MET 80 Ca 0.15 -0.11 -0.13 0.00 -0.61 0.00 0.00 59.70 59.00 1wrl h MET 80 Cb 0.50 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.38 1wrl h MET 80 CO 0.02 0.63 -0.58 0.52 -0.40 0.00 0.00 176.91 177.10 1wrl h MET 81 N 0.77 0.14 0.07 0.39 2.07 -0.47 -2.74 114.93 115.15 1wrl h MET 81 Ca 0.19 -0.09 -0.00 0.00 -2.07 0.00 0.00 59.70 57.72 1wrl h MET 81 Cb 0.13 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 29.87 1wrl h MET 81 CO -0.02 0.68 -0.03 0.28 1.07 0.00 0.00 176.91 178.88 1wrl h VAL 82 N 0.10 0.80 0.00 -2.22 2.07 0.57 -3.41 116.25 114.16 1wrl h VAL 82 Ca -0.00 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.09 1wrl h VAL 82 Cb 1.06 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1wrl h VAL 82 CO 0.08 0.25 0.00 0.54 0.02 0.00 0.00 177.57 178.46 1wrl n ARG 83 N -4.79 0.00 0.00 1.57 1.74 0.51 -5.08 116.66 110.61 1wrl n ARG 83 Ca -0.06 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1wrl n ARG 83 Cb 0.24 -0.62 0.00 0.00 -1.02 0.00 0.00 32.46 31.05 1wrl n ARG 83 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56