#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wrl h ILE 4 N 0.00 1.34 0.00 5.18 1.08 -2.06 -2.58 117.51 120.47 1wrl h ILE 4 Ca 0.00 -1.38 -0.02 0.00 -0.39 0.00 0.00 64.86 63.07 1wrl h ILE 4 Cb 0.00 1.84 -0.00 0.00 -3.07 0.00 0.00 36.82 35.59 1wrl h ILE 4 CO 0.00 0.41 -0.12 1.88 -0.69 0.00 0.00 178.15 179.64 1wrl h TYR 5 N 0.09 0.00 -0.50 1.37 0.05 -1.98 -2.92 116.97 113.08 1wrl h TYR 5 Ca 0.02 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.83 1wrl h TYR 5 Cb 0.75 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.45 1wrl h TYR 5 CO 0.08 0.12 0.30 -0.22 -1.05 0.00 0.00 178.16 177.39 1wrl h LYS 6 N 0.00 0.57 0.06 4.88 3.64 -1.89 -2.71 116.57 121.12 1wrl h LYS 6 Ca -0.00 -0.03 -0.27 0.00 -1.27 0.00 0.00 60.65 59.08 1wrl h LYS 6 Cb 0.47 -0.13 0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1wrl h LYS 6 CO 0.02 0.38 -1.08 0.00 -2.27 0.00 0.00 179.45 176.50 1wrl h ALA 7 N 1.23 0.05 -0.63 5.00 0.00 -1.44 -3.27 119.26 120.19 1wrl h ALA 7 Ca 0.20 -0.72 0.18 0.00 0.00 0.00 0.00 54.91 54.58 1wrl h ALA 7 Cb 0.03 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1wrl h ALA 7 CO -0.09 0.63 0.46 0.00 0.00 0.00 0.00 179.25 180.25 1wrl h ALA 8 N 0.32 2.58 -0.56 0.00 0.00 -1.39 -0.09 119.26 120.13 1wrl h ALA 8 Ca -0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1wrl h ALA 8 Cb 1.75 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 1wrl h ALA 8 CO 0.21 -0.79 0.25 0.28 0.00 0.00 0.00 179.25 179.20 1wrl h VAL 9 N 0.00 1.21 -0.89 0.00 2.07 -1.53 -2.26 116.25 114.85 1wrl h VAL 9 Ca 0.30 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1wrl h VAL 9 Cb 1.22 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 1wrl h VAL 9 CO -0.00 0.25 0.54 -0.33 0.02 0.00 0.00 177.57 178.04 1wrl h GLU 10 N 0.76 1.21 -0.71 1.57 5.08 -1.17 0.25 114.58 121.57 1wrl h GLU 10 Ca 0.19 -0.11 0.21 0.00 -1.00 0.00 0.00 59.36 58.65 1wrl h GLU 10 Cb 0.16 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1wrl h GLU 10 CO -0.02 0.84 0.59 1.96 -1.00 0.00 0.00 179.01 181.38 1wrl h GLN 11 N 1.22 0.00 -6.34 2.33 1.08 -1.13 -3.39 115.11 108.88 1wrl h GLN 11 Ca 0.32 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.98 1wrl h GLN 11 Cb -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 1wrl h GLN 11 CO -0.06 0.00 1.03 -0.51 -0.95 0.00 0.00 178.83 178.34 1wrl s LEU 12 N -8.04 4.34 0.72 1.46 1.43 0.08 -4.98 118.68 113.69 1wrl s LEU 12 Ca -0.05 2.32 -0.12 0.00 -1.03 0.00 0.00 54.13 55.25 1wrl s LEU 12 Cb 0.19 -3.55 0.03 0.00 0.03 0.00 0.00 46.19 42.89 1wrl s LEU 12 CO 0.68 -0.89 1.10 0.42 0.23 0.00 0.00 176.35 177.88 1wrl s THR 13 N 3.40 3.32 0.60 5.49 -4.23 -1.26 -4.82 115.64 118.14 1wrl s THR 13 Ca 0.73 0.50 0.31 0.00 -1.18 0.00 0.00 61.69 62.05 1wrl s THR 13 Cb -0.36 -3.01 0.36 0.00 1.34 0.00 0.00 72.50 70.84 1wrl s THR 13 CO 0.31 -0.49 2.18 -0.08 -0.54 0.00 0.00 174.62 176.00 1wrl h GLU 14 N -0.62 0.00 0.00 3.99 4.57 -1.93 0.29 114.58 120.88 1wrl h GLU 14 Ca -0.45 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 57.62 1wrl h GLU 14 Cb 1.24 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.81 1wrl h GLU 14 CO 0.53 0.00 -0.51 1.49 -1.18 0.00 0.00 179.01 179.33 1wrl h GLU 15 N 0.00 0.00 0.04 1.92 4.81 -2.00 -2.33 114.58 117.02 1wrl h GLU 15 Ca 0.04 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.04 1wrl h GLU 15 Cb 0.25 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.65 1wrl h GLU 15 CO -0.00 0.51 -0.92 1.96 -0.73 0.00 0.00 179.01 179.83 1wrl h GLN 16 N 0.00 0.55 -0.45 1.92 4.20 -0.79 -3.09 115.11 117.45 1wrl h GLN 16 Ca -0.01 -0.65 -0.01 0.00 0.06 0.00 0.00 58.65 58.05 1wrl h GLN 16 Cb 1.24 0.20 -0.02 0.00 0.30 0.00 0.00 27.48 29.20 1wrl h GLN 16 CO 0.07 1.26 0.24 0.87 -0.67 0.00 0.00 178.83 180.59 1wrl h LYS 17 N 0.12 0.64 -0.46 1.46 1.57 -1.36 -2.36 116.57 116.18 1wrl h LYS 17 Ca -0.13 -0.08 0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1wrl h LYS 17 Cb 1.62 -0.12 -0.08 0.00 0.08 0.00 0.00 32.23 33.73 1wrl h LYS 17 CO 0.18 0.52 -0.02 -0.91 -0.57 0.00 0.00 179.45 178.65 1wrl h ASN 18 N 0.59 -0.24 -0.25 0.86 -0.26 -1.47 0.39 115.58 115.20 1wrl h ASN 18 Ca 0.16 0.12 0.00 0.00 -0.56 0.00 0.00 56.30 56.02 1wrl h ASN 18 Cb 0.07 0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.54 1wrl h ASN 18 CO -0.02 -0.08 0.16 -0.33 -1.06 0.00 0.00 177.43 176.10 1wrl h GLU 19 N 0.09 0.34 -0.34 0.81 5.08 -1.42 -1.17 114.58 117.96 1wrl h GLU 19 Ca 0.23 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 1wrl h GLU 19 Cb 0.34 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1wrl h GLU 19 CO -0.40 0.24 -0.07 0.74 -1.00 0.00 0.00 179.01 178.51 1wrl h PHE 20 N 0.34 0.60 -0.44 4.33 0.04 -0.84 -1.15 116.94 119.83 1wrl h PHE 20 Ca 0.09 -0.08 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 1wrl h PHE 20 Cb -0.03 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 37.94 1wrl h PHE 20 CO -0.06 0.63 0.02 -0.22 -0.60 0.00 0.00 178.31 178.08 1wrl h LYS 21 N 0.53 0.70 -0.29 1.51 1.63 0.19 0.88 116.57 121.73 1wrl h LYS 21 Ca 0.10 -0.17 -0.16 0.00 -0.85 0.00 0.00 60.65 59.58 1wrl h LYS 21 Cb 0.45 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1wrl h LYS 21 CO 0.02 0.70 -0.44 0.00 -3.45 0.00 0.00 179.45 176.28 1wrl h ALA 22 N 1.36 0.44 0.22 5.00 0.00 -0.65 -0.33 119.26 125.29 1wrl h ALA 22 Ca 0.14 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1wrl h ALA 22 Cb 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1wrl h ALA 22 CO 0.01 0.58 -0.11 0.00 0.00 0.00 0.00 179.25 179.73 1wrl h ALA 23 N 0.68 -0.30 -0.82 0.00 0.00 -0.74 -2.88 119.26 115.20 1wrl h ALA 23 Ca 0.03 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 54.94 1wrl h ALA 23 Cb 1.04 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 1wrl h ALA 23 CO 0.10 -0.55 0.38 0.35 0.00 0.00 0.00 179.25 179.53 1wrl h PHE 24 N -0.53 0.66 -0.21 0.00 3.57 0.83 -1.42 116.94 119.84 1wrl h PHE 24 Ca -0.03 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 1wrl h PHE 24 Cb 0.39 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1wrl h PHE 24 CO 0.00 0.11 -0.03 -0.44 -2.23 0.00 0.00 178.31 175.72 1wrl h ASP 25 N 0.53 0.28 1.81 0.41 3.32 -0.94 -1.76 116.42 120.08 1wrl h ASP 25 Ca 0.46 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1wrl h ASP 25 Cb 0.70 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1wrl h ASP 25 CO -0.40 0.37 0.00 -0.29 -1.72 0.00 0.00 179.24 177.20 1wrl h ILE 26 N 0.30 0.00 0.07 0.35 6.09 -1.06 -3.20 117.51 120.06 1wrl h ILE 26 Ca 0.07 -0.87 -0.26 0.00 -1.37 0.00 0.00 64.86 62.43 1wrl h ILE 26 Cb 0.26 1.87 -0.01 0.00 0.47 0.00 0.00 36.82 39.40 1wrl h ILE 26 CO 0.01 0.00 -1.24 -0.26 -3.07 0.00 0.00 178.15 173.59 1wrl h PHE 27 N 0.00 0.27 -0.24 2.19 0.04 -0.94 -3.30 116.94 114.97 1wrl h PHE 27 Ca 0.00 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 60.57 1wrl h PHE 27 Cb 0.91 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.05 1wrl h PHE 27 CO 0.00 1.18 0.00 1.33 -0.60 0.00 0.00 178.31 180.22 1wrl n VAL 28 N -3.42 0.40 -2.50 -0.55 0.24 -0.88 -4.80 118.33 106.82 1wrl n VAL 28 Ca -0.07 -0.34 -0.42 0.00 -2.04 0.00 0.00 64.34 61.46 1wrl n VAL 28 Cb 1.00 0.09 -0.03 0.00 -1.47 0.00 0.00 33.84 33.44 1wrl n VAL 28 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1wrl s LEU 29 N -0.99 4.25 0.00 1.34 1.43 -1.24 -2.68 118.68 120.79 1wrl s LEU 29 Ca 0.17 1.73 0.00 0.00 -1.03 0.00 0.00 54.13 54.99 1wrl s LEU 29 Cb 0.09 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1wrl s LEU 29 CO 0.10 -0.60 0.00 0.61 0.23 0.00 0.00 176.35 176.70 1wrl n GLY 30 N 3.36 3.13 3.75 -3.19 0.00 -1.26 -5.05 105.19 105.93 1wrl n GLY 30 Ca 0.11 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 1wrl n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wrl n ALA 31 N 0.00 2.10 -0.07 4.61 0.00 -1.09 -4.93 120.51 121.14 1wrl n ALA 31 Ca 0.00 0.35 -0.12 0.00 0.00 0.00 0.00 53.44 53.67 1wrl n ALA 31 Cb 0.00 -2.38 -0.12 0.00 0.00 0.00 0.00 19.45 16.95 1wrl n ALA 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1wrl h GLU 32 N 3.21 -0.00 -0.42 0.00 4.81 -1.90 -3.28 114.58 117.00 1wrl h GLU 32 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1wrl h GLU 32 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1wrl h GLU 32 CO 0.67 0.88 0.00 -0.40 -0.73 0.00 0.00 179.01 179.42 1wrl n ASP 33 N -4.63 0.42 -1.96 1.04 3.85 -1.26 -4.83 116.55 109.17 1wrl n ASP 33 Ca -0.09 -1.45 -0.10 0.00 -0.71 0.00 0.00 54.79 52.44 1wrl n ASP 33 Cb 0.42 -0.21 -0.02 0.00 -1.35 0.00 0.00 41.12 39.96 1wrl n ASP 33 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1wrl n GLY 34 N 0.17 0.11 3.54 6.12 0.00 -1.24 -4.92 105.19 108.97 1wrl n GLY 34 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1wrl n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wrl s SER 35 N -1.95 3.02 -0.26 1.61 1.04 -1.26 -4.89 113.70 111.01 1wrl s SER 35 Ca 0.00 -1.45 -0.16 0.00 0.48 0.00 0.00 55.95 54.82 1wrl s SER 35 Cb 0.00 -0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.07 1wrl s SER 35 CO 0.00 -0.64 0.42 -0.63 0.98 0.00 0.00 173.24 173.38 1wrl s ILE 36 N -3.08 5.14 0.49 -1.02 1.01 -0.06 -4.79 121.20 118.89 1wrl s ILE 36 Ca 0.31 0.69 0.05 0.00 0.00 0.00 0.00 60.65 61.70 1wrl s ILE 36 Cb 0.07 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.79 1wrl s ILE 36 CO 0.15 0.14 0.19 -0.94 0.00 0.00 0.00 174.94 174.48 1wrl s SER 37 N 1.54 4.37 0.57 3.58 1.04 -1.26 0.10 113.70 123.64 1wrl s SER 37 Ca 0.18 -1.35 0.29 0.00 0.48 0.00 0.00 55.95 55.54 1wrl s SER 37 Cb -0.16 0.17 1.48 0.00 0.10 0.00 0.00 66.02 67.61 1wrl s SER 37 CO 0.09 -0.84 1.93 0.71 0.98 0.00 0.00 173.24 176.12 1wrl h THR 38 N 1.19 0.47 0.38 2.02 1.35 -1.91 -1.66 112.91 114.75 1wrl h THR 38 Ca -0.41 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.43 1wrl h THR 38 Cb 1.29 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1wrl h THR 38 CO 0.68 0.00 -0.18 0.50 -0.25 0.00 0.00 175.52 176.26 1wrl h LYS 39 N 0.00 -0.49 -0.59 4.72 3.64 -1.98 0.02 116.57 121.88 1wrl h LYS 39 Ca 0.24 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.59 1wrl h LYS 39 Cb 1.17 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 33.08 1wrl h LYS 39 CO -0.00 -0.18 0.10 0.93 -2.27 0.00 0.00 179.45 178.03 1wrl h GLU 40 N -0.86 0.95 -0.55 1.90 3.07 -1.72 -0.99 114.58 116.38 1wrl h GLU 40 Ca -0.05 -0.23 -0.10 0.00 -0.50 0.00 0.00 59.36 58.48 1wrl h GLU 40 Cb 0.54 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 1wrl h GLU 40 CO 0.09 0.87 -0.05 1.25 -1.40 0.00 0.00 179.01 179.77 1wrl h LEU 41 N 0.90 1.00 -0.30 1.33 5.85 -1.37 -1.87 115.31 120.85 1wrl h LEU 41 Ca 0.19 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 1wrl h LEU 41 Cb 0.38 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1wrl h LEU 41 CO 0.01 1.09 0.08 1.23 -0.34 0.00 0.00 178.44 180.51 1wrl h GLY 42 N 0.89 0.51 0.75 3.75 0.00 -0.67 -1.10 103.07 107.21 1wrl h GLY 42 Ca 0.15 -0.32 0.03 0.00 0.00 0.00 0.00 47.33 47.19 1wrl h GLY 42 CO 0.04 0.30 0.03 0.50 0.00 0.00 0.00 176.54 177.41 1wrl h LYS 43 N 0.32 0.11 -0.22 4.80 1.57 -1.08 0.40 116.57 122.47 1wrl h LYS 43 Ca 0.09 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1wrl h LYS 43 Cb 0.28 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1wrl h LYS 43 CO 0.00 0.07 0.14 0.28 -0.57 0.00 0.00 179.45 179.37 1wrl h VAL 44 N 0.12 1.08 0.00 0.50 2.07 -1.26 0.04 116.25 118.79 1wrl h VAL 44 Ca 0.10 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1wrl h VAL 44 Cb 0.10 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1wrl h VAL 44 CO -0.13 0.07 -0.15 0.24 0.02 0.00 0.00 177.57 177.62 1wrl h MET 45 N 0.28 0.00 -0.12 1.57 2.86 -0.86 -2.28 114.93 116.38 1wrl h MET 45 Ca 0.08 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.62 1wrl h MET 45 Cb -0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1wrl h MET 45 CO -0.02 0.15 -0.32 -0.09 1.06 0.00 0.00 176.91 177.69 1wrl h ARG 46 N 0.00 0.43 0.00 1.72 9.65 0.72 -0.31 114.38 126.59 1wrl h ARG 46 Ca -0.00 -0.30 0.00 0.00 -1.10 0.00 0.00 59.98 58.58 1wrl h ARG 46 Cb 0.40 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.03 1wrl h ARG 46 CO 0.02 0.92 0.10 0.52 2.80 0.00 0.00 179.97 184.33 1wrl h MET 47 N 0.02 0.00 -0.69 0.20 2.86 -0.45 -0.89 114.93 115.98 1wrl h MET 47 Ca -0.01 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.28 1wrl h MET 47 Cb 0.94 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 32.38 1wrl h MET 47 CO 0.07 0.00 0.30 1.28 1.06 0.00 0.00 176.91 179.62 1wrl n LEU 48 N -2.86 5.50 -0.74 1.22 4.77 -1.02 -4.93 117.00 118.93 1wrl n LEU 48 Ca -0.02 -3.69 -0.10 0.00 -0.03 0.00 0.00 56.01 52.17 1wrl n LEU 48 Cb 0.16 -0.74 -0.04 0.00 -2.33 0.00 0.00 43.42 40.46 1wrl n LEU 48 CO 0.16 1.15 -0.09 0.61 -1.33 0.00 0.00 177.39 177.89 1wrl n GLY 49 N -1.12 1.05 3.97 -0.72 0.00 -0.34 -5.01 105.19 103.02 1wrl n GLY 49 Ca 0.47 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.61 2.88 -0.37 1.61 -1.52 -0.16 -5.02 119.66 114.47 1wrl s GLN 50 Ca 0.00 -0.67 0.14 0.00 -1.95 0.00 0.00 55.36 52.87 1wrl s GLN 50 Cb 0.00 -2.57 0.39 0.00 -0.22 0.00 0.00 33.01 30.62 1wrl s GLN 50 CO 0.00 -0.39 0.85 0.09 -0.25 0.00 0.00 175.29 175.59 1wrl n ASN 51 N -2.12 1.48 -4.77 5.90 4.13 -1.26 -4.37 115.26 114.25 1wrl n ASN 51 Ca 0.04 -2.97 -0.40 0.00 1.68 0.00 0.00 54.58 52.92 1wrl n ASN 51 Cb 0.58 -0.57 -0.03 0.00 -1.54 0.00 0.00 39.78 38.22 1wrl n ASN 51 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1wrl s PRO 52 N -2.81 4.45 0.68 3.52 0.04 -1.26 -5.04 135.00 134.57 1wrl s PRO 52 Ca 0.36 2.03 -0.09 0.00 0.04 0.00 0.00 61.00 63.34 1wrl s PRO 52 Cb 0.39 -3.09 0.03 0.00 0.04 0.00 0.00 34.50 31.87 1wrl s PRO 52 CO -0.04 -0.04 1.03 0.95 0.04 0.00 0.00 177.00 178.94 1wrl s THR 53 N -1.17 3.12 0.29 1.26 -4.23 -1.26 -4.87 115.64 108.78 1wrl s THR 53 Ca 0.48 0.11 -0.01 0.00 -1.18 0.00 0.00 61.69 61.09 1wrl s THR 53 Cb -0.36 -3.32 0.18 0.00 1.34 0.00 0.00 72.50 70.35 1wrl s THR 53 CO 0.47 -0.37 1.87 -0.65 -0.54 0.00 0.00 174.62 175.40 1wrl h PRO 54 N -0.53 0.86 -0.60 3.99 0.11 -1.98 -1.00 132.00 132.85 1wrl h PRO 54 Ca -0.45 -0.14 -0.03 0.00 0.11 0.00 0.00 66.00 65.49 1wrl h PRO 54 Cb 1.28 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1wrl h PRO 54 CO 0.62 0.72 0.27 0.93 -0.21 0.00 0.00 178.00 180.33 1wrl h GLU 55 N 0.85 0.85 -0.18 1.05 3.07 -1.98 0.46 114.58 118.69 1wrl h GLU 55 Ca 0.20 -0.12 -0.20 0.00 -0.50 0.00 0.00 59.36 58.75 1wrl h GLU 55 Cb 0.19 -0.16 0.01 0.00 -0.84 0.00 0.00 28.75 27.95 1wrl h GLU 55 CO -0.02 0.67 -0.66 0.93 -1.40 0.00 0.00 179.01 178.54 1wrl h GLU 56 N 0.85 0.77 0.10 2.33 5.08 -1.80 -1.82 114.58 120.08 1wrl h GLU 56 Ca 0.21 -0.58 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 1wrl h GLU 56 Cb 0.12 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1wrl h GLU 56 CO -0.02 1.20 -0.05 -0.07 -1.00 0.00 0.00 179.01 179.07 1wrl h LEU 57 N 0.50 -0.12 -0.93 1.33 3.38 -0.70 -2.08 115.31 116.68 1wrl h LEU 57 Ca -0.03 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 57.83 1wrl h LEU 57 Cb 1.29 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.99 1wrl h LEU 57 CO 0.14 0.14 0.58 -0.61 0.09 0.00 0.00 178.44 178.78 1wrl h GLN 58 N -0.38 0.96 0.58 1.13 5.75 -0.15 -1.74 115.11 121.27 1wrl h GLN 58 Ca -0.01 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.40 1wrl h GLN 58 Cb 0.31 -0.22 -0.00 0.00 1.07 0.00 0.00 27.48 28.64 1wrl h GLN 58 CO 0.02 0.64 -0.34 1.49 -2.65 0.00 0.00 178.83 177.99 1wrl h GLU 59 N 0.99 -0.83 -0.87 1.69 4.81 -1.14 -0.25 114.58 118.98 1wrl h GLU 59 Ca 0.43 0.06 0.21 0.00 -0.13 0.00 0.00 59.36 59.93 1wrl h GLU 59 Cb 0.31 0.19 -0.12 0.00 0.63 0.00 0.00 28.75 29.76 1wrl h GLU 59 CO -0.22 -0.55 0.35 0.52 -0.73 0.00 0.00 179.01 178.38 1wrl h MET 60 N -0.86 0.36 0.20 1.92 2.86 -0.85 0.08 114.93 118.65 1wrl h MET 60 Ca -0.07 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1wrl h MET 60 Cb 0.69 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.27 1wrl h MET 60 CO 0.08 0.24 -0.10 0.82 1.06 0.00 0.00 176.91 179.02 1wrl h ILE 61 N 0.37 0.85 -0.24 -1.22 1.08 -0.96 -3.24 117.51 114.16 1wrl h ILE 61 Ca 0.53 -0.24 0.06 0.00 -0.39 0.00 0.00 64.86 64.82 1wrl h ILE 61 Cb 0.99 1.00 -0.06 0.00 -3.07 0.00 0.00 36.82 35.68 1wrl h ILE 61 CO -0.53 0.06 -0.14 0.44 -0.69 0.00 0.00 178.15 177.29 1wrl h ASP 62 N -0.39 -0.46 -1.64 1.72 3.45 0.79 -1.70 116.42 118.19 1wrl h ASP 62 Ca -0.03 0.10 0.49 0.00 0.43 0.00 0.00 57.03 58.03 1wrl h ASP 62 Cb 0.30 0.25 -0.09 0.00 -0.56 0.00 0.00 39.33 39.22 1wrl h ASP 62 CO 0.04 -0.18 1.15 -0.33 -1.57 0.00 0.00 179.24 178.36 1wrl h GLU 63 N -0.12 0.03 -0.03 3.56 5.08 -1.23 0.22 114.58 122.07 1wrl h GLU 63 Ca 0.13 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1wrl h GLU 63 Cb 0.32 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1wrl h GLU 63 CO -0.31 0.02 0.00 1.33 -1.00 0.00 0.00 179.01 179.04 1wrl n VAL 64 N -4.21 0.63 -2.56 3.13 0.24 -1.01 -4.95 118.33 109.60 1wrl n VAL 64 Ca 0.39 -0.82 -0.42 0.00 -2.04 0.00 0.00 64.34 61.46 1wrl n VAL 64 Cb 1.71 0.70 -0.03 0.00 -1.47 0.00 0.00 33.84 34.75 1wrl n VAL 64 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1wrl s ASP 65 N -0.68 6.31 -0.02 -1.34 3.68 0.76 -4.76 116.67 120.62 1wrl s ASP 65 Ca 0.03 -0.13 -0.04 0.00 2.13 0.00 0.00 52.55 54.54 1wrl s ASP 65 Cb 0.02 -2.56 -0.28 0.00 -1.45 0.00 0.00 42.92 38.65 1wrl s ASP 65 CO 0.02 -1.65 0.77 -0.33 0.13 0.00 0.00 175.17 174.11 1wrl h GLU 66 N 9.82 0.27 -0.94 4.34 4.39 -1.91 -3.37 114.58 127.17 1wrl h GLU 66 Ca -0.26 -0.46 -0.58 0.00 0.34 0.00 0.00 59.36 58.40 1wrl h GLU 66 Cb 1.05 0.17 -0.29 0.00 -0.10 0.00 0.00 28.75 29.58 1wrl h GLU 66 CO 1.23 1.13 0.62 -0.40 -1.16 0.00 0.00 179.01 180.43 1wrl n ASP 67 N -3.46 5.76 -3.99 1.42 5.75 -1.26 -4.94 116.55 115.84 1wrl n ASP 67 Ca -0.19 -3.73 -0.28 0.00 -0.01 0.00 0.00 54.79 50.58 1wrl n ASP 67 Cb 1.05 -0.87 -0.08 0.00 -1.03 0.00 0.00 41.12 40.20 1wrl n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wrl n GLY 68 N -1.00 -0.15 0.07 6.12 0.00 -1.26 -4.79 105.19 104.17 1wrl n GLY 68 Ca 0.59 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.84 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 -2.20 0.48 0.00 1.61 3.41 -1.26 -4.94 113.62 110.72 1wrl n SER 69 Ca -0.18 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1wrl n SER 69 Cb 0.52 1.10 0.00 0.00 -0.26 0.00 0.00 64.21 65.57 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 1.23 2.60 3.41 5.00 0.00 -1.26 -4.97 105.19 111.19 1wrl n GLY 70 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.17 2.27 -0.31 2.61 -4.23 -1.26 -4.70 115.64 106.84 1wrl s THR 71 Ca 0.00 -1.97 -0.11 0.00 -1.18 0.00 0.00 61.69 58.43 1wrl s THR 71 Cb 0.00 -2.06 -0.02 0.00 1.34 0.00 0.00 72.50 71.76 1wrl s THR 71 CO 0.00 -0.11 0.19 -0.69 -0.54 0.00 0.00 174.62 173.48 1wrl s VAL 72 N -1.61 5.02 0.68 2.29 1.01 0.29 -4.87 120.40 123.20 1wrl s VAL 72 Ca 0.19 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 1wrl s VAL 72 Cb -0.08 -3.52 0.09 0.00 0.00 0.00 0.00 36.38 32.87 1wrl s VAL 72 CO 0.09 0.09 0.95 1.51 0.00 0.00 0.00 175.10 177.73 1wrl s ASP 73 N 1.69 4.66 0.29 3.32 3.84 -1.26 -0.88 116.67 128.32 1wrl s ASP 73 Ca 0.06 -0.06 0.02 0.00 -0.00 0.00 0.00 52.55 52.56 1wrl s ASP 73 Cb -0.17 -0.51 0.58 0.00 -1.38 0.00 0.00 42.92 41.44 1wrl s ASP 73 CO 0.09 -1.63 1.84 0.15 -0.00 0.00 0.00 175.17 175.61 1wrl h PHE 74 N -0.41 1.13 -0.16 2.11 3.57 -1.98 0.19 116.94 121.39 1wrl h PHE 74 Ca -0.40 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.13 1wrl h PHE 74 Cb 1.28 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1wrl h PHE 74 CO 0.03 0.44 0.08 -0.44 -2.23 0.00 0.00 178.31 176.19 1wrl h ASP 75 N 0.97 0.21 0.17 0.41 3.32 -2.01 -1.96 116.42 117.53 1wrl h ASP 75 Ca 0.50 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.35 1wrl h ASP 75 Cb 0.51 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1wrl h ASP 75 CO -0.26 0.26 -0.31 -0.33 -1.72 0.00 0.00 179.24 176.87 1wrl h GLU 76 N 0.14 0.22 -0.92 3.56 5.08 -1.72 -2.55 114.58 118.38 1wrl h GLU 76 Ca 0.06 -0.08 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1wrl h GLU 76 Cb 0.10 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 1wrl h GLU 76 CO -0.01 0.51 0.60 0.35 -1.00 0.00 0.00 179.01 179.46 1wrl h PHE 77 N 0.19 1.08 -0.21 4.33 3.57 -0.05 -1.63 116.94 124.21 1wrl h PHE 77 Ca 0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1wrl h PHE 77 Cb 0.65 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1wrl h PHE 77 CO 0.01 0.57 0.10 -0.07 -2.23 0.00 0.00 178.31 176.69 1wrl h LEU 78 N 1.07 0.28 -1.66 0.59 3.38 -0.93 -1.27 115.31 116.76 1wrl h LEU 78 Ca 0.39 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.27 1wrl h LEU 78 Cb 0.17 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1wrl h LEU 78 CO -0.15 0.35 0.29 0.58 0.09 0.00 0.00 178.44 179.60 1wrl h VAL 79 N 0.20 1.01 -0.27 1.22 2.07 -1.39 0.20 116.25 119.29 1wrl h VAL 79 Ca 0.07 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 1wrl h VAL 79 Cb 0.14 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1wrl h VAL 79 CO -0.01 0.08 -0.17 -0.03 0.02 0.00 0.00 177.57 177.46 1wrl h MET 80 N 0.43 0.48 0.02 1.57 1.85 -0.49 0.88 114.93 119.67 1wrl h MET 80 Ca 0.18 -0.15 -0.21 0.00 -0.61 0.00 0.00 59.70 58.92 1wrl h MET 80 Cb 0.19 -0.04 0.02 0.00 0.43 0.00 0.00 31.60 32.19 1wrl h MET 80 CO -0.04 0.63 -0.82 0.52 -0.40 0.00 0.00 176.91 176.80 1wrl h MET 81 N 0.44 0.52 -0.18 0.39 2.07 0.23 -3.32 114.93 115.09 1wrl h MET 81 Ca 0.08 -0.59 -0.06 0.00 -2.07 0.00 0.00 59.70 57.06 1wrl h MET 81 Cb 0.55 0.17 -0.00 0.00 -1.87 0.00 0.00 31.60 30.45 1wrl h MET 81 CO 0.04 1.21 -0.12 0.28 1.07 0.00 0.00 176.91 179.39 1wrl h VAL 82 N 0.07 1.32 0.00 -2.22 2.07 -0.49 -2.69 116.25 114.31 1wrl h VAL 82 Ca -0.11 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1wrl h VAL 82 Cb 1.52 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1wrl h VAL 82 CO 0.16 0.37 0.03 -1.14 0.02 0.00 0.00 177.57 177.00 1wrl n ARG 83 N -4.55 0.00 -0.30 1.57 0.63 0.30 -3.39 116.66 110.92 1wrl n ARG 83 Ca -0.05 0.11 -0.08 0.00 -0.92 0.00 0.00 57.85 56.91 1wrl n ARG 83 Cb 0.34 -1.53 -0.07 0.00 0.45 0.00 0.00 32.46 31.65 1wrl n ARG 83 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1wrl n SER 84 N -1.05 -0.76 0.00 6.15 2.88 -1.02 -5.06 113.62 114.77 1wrl n SER 84 Ca 0.00 1.56 0.00 0.00 -1.33 0.00 0.00 58.87 59.10 1wrl n SER 84 Cb 0.03 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 1wrl n SER 84 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96