#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 0.82 0.00 5.18 2.10 -2.05 -1.06 117.51 122.50 1wrl h ILE 4 Ca 0.00 -0.27 -0.19 0.00 1.08 0.00 0.00 64.86 65.48 1wrl h ILE 4 Cb 0.00 1.16 -0.03 0.00 -1.09 0.00 0.00 36.82 36.86 1wrl h ILE 4 CO 0.00 0.07 -0.91 1.88 -1.08 0.00 0.00 178.15 178.11 1wrl h TYR 5 N 0.00 0.00 0.00 2.19 0.05 -1.98 -2.90 116.97 114.33 1wrl h TYR 5 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1wrl h TYR 5 Cb 0.15 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.89 1wrl h TYR 5 CO 0.00 0.91 -0.00 -0.22 -1.05 0.00 0.00 178.16 177.80 1wrl h LYS 6 N 0.00 0.00 0.06 4.88 3.64 -1.62 -2.46 116.57 121.08 1wrl h LYS 6 Ca -0.01 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.06 1wrl h LYS 6 Cb 1.62 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.42 1wrl h LYS 6 CO 0.12 0.00 -1.68 0.00 -2.27 0.00 0.00 179.45 175.62 1wrl n ALA 7 N -2.18 0.85 0.25 5.00 0.00 -1.12 -3.94 120.51 119.38 1wrl n ALA 7 Ca -0.03 -0.56 0.14 0.00 0.00 0.00 0.00 53.44 52.99 1wrl n ALA 7 Cb 0.08 -0.60 0.81 0.00 0.00 0.00 0.00 19.45 19.74 1wrl n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wrl h ALA 8 N -0.22 1.78 -0.06 0.00 0.00 -1.28 0.18 119.26 119.66 1wrl h ALA 8 Ca -0.40 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.36 1wrl h ALA 8 Cb 1.69 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1wrl h ALA 8 CO -0.07 -0.10 -0.63 0.28 0.00 0.00 0.00 179.25 178.74 1wrl h VAL 9 N 0.00 1.40 -0.41 0.00 2.07 -1.61 -2.47 116.25 115.21 1wrl h VAL 9 Ca 0.03 -2.04 -0.13 0.00 0.82 0.00 0.00 66.70 65.39 1wrl h VAL 9 Cb 0.15 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1wrl h VAL 9 CO -0.00 0.60 -0.25 -0.33 0.02 0.00 0.00 177.57 177.61 1wrl h GLU 10 N 0.17 0.86 -0.44 1.57 5.08 -0.81 -2.79 114.58 118.22 1wrl h GLU 10 Ca -0.01 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 57.96 1wrl h GLU 10 Cb 1.14 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 1wrl h GLU 10 CO 0.10 1.01 0.18 1.96 -1.00 0.00 0.00 179.01 181.25 1wrl h GLN 11 N 0.74 0.62 -6.43 2.33 1.08 -0.99 -3.44 115.11 109.03 1wrl h GLN 11 Ca 0.09 -0.08 -0.62 0.00 -1.45 0.00 0.00 58.65 56.59 1wrl h GLN 11 Cb 0.79 -0.12 0.07 0.00 -0.05 0.00 0.00 27.48 28.17 1wrl h GLN 11 CO 0.07 0.51 0.55 1.28 -0.95 0.00 0.00 178.83 180.29 1wrl n LEU 12 N -4.37 2.39 -4.84 1.46 4.77 -0.96 -4.97 117.00 110.48 1wrl n LEU 12 Ca 0.03 1.12 -0.30 0.00 -0.03 0.00 0.00 56.01 56.83 1wrl n LEU 12 Cb 0.15 -1.32 0.22 0.00 -2.33 0.00 0.00 43.42 40.13 1wrl n LEU 12 CO 0.37 -0.75 0.82 0.42 -1.33 0.00 0.00 177.39 176.92 1wrl s THR 13 N 0.30 1.87 0.04 -5.08 -4.23 -1.26 -4.89 115.64 102.40 1wrl s THR 13 Ca 0.76 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 61.37 1wrl s THR 13 Cb -0.78 -2.87 -0.16 0.00 1.34 0.00 0.00 72.50 70.04 1wrl s THR 13 CO 0.46 0.00 1.22 -0.33 -0.54 0.00 0.00 174.62 175.44 1wrl h GLU 14 N -2.01 0.00 -0.60 3.99 5.08 -1.98 -2.55 114.58 116.52 1wrl h GLU 14 Ca -0.44 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.87 1wrl h GLU 14 Cb 1.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 1wrl h GLU 14 CO 0.32 0.82 0.16 1.49 -1.00 0.00 0.00 179.01 180.80 1wrl h GLU 15 N 0.00 0.94 -0.07 2.33 4.81 -1.99 -0.76 114.58 119.84 1wrl h GLU 15 Ca -0.05 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 58.95 1wrl h GLU 15 Cb 1.72 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.97 1wrl h GLU 15 CO 0.11 0.86 -0.03 1.96 -0.73 0.00 0.00 179.01 181.18 1wrl h GLN 16 N 0.86 0.14 0.00 1.92 4.20 -1.94 -2.00 115.11 118.29 1wrl h GLN 16 Ca 0.19 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1wrl h GLN 16 Cb 0.32 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 1wrl h GLN 16 CO -0.00 0.49 -0.01 0.87 -0.67 0.00 0.00 178.83 179.51 1wrl h LYS 17 N -0.22 0.00 0.03 1.46 1.57 -1.34 -0.23 116.57 117.84 1wrl h LYS 17 Ca 0.02 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1wrl h LYS 17 Cb 0.45 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.77 1wrl h LYS 17 CO 0.01 0.01 -0.42 -0.91 -0.57 0.00 0.00 179.45 177.57 1wrl h ASN 18 N 0.00 0.32 -0.67 0.86 -0.26 -0.84 -2.27 115.58 112.72 1wrl h ASN 18 Ca -0.00 -0.84 0.00 0.00 -0.56 0.00 0.00 56.30 54.91 1wrl h ASN 18 Cb 0.07 -0.10 -0.03 0.00 -1.06 0.00 0.00 38.32 37.20 1wrl h ASN 18 CO 0.00 1.12 0.43 -0.33 -1.06 0.00 0.00 177.43 177.58 1wrl h GLU 19 N -0.44 0.89 -0.52 0.81 5.08 -0.52 -1.27 114.58 118.60 1wrl h GLU 19 Ca -0.06 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 1wrl h GLU 19 Cb 1.21 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 1wrl h GLU 19 CO 0.08 0.61 0.02 0.74 -1.00 0.00 0.00 179.01 179.45 1wrl h PHE 20 N 0.90 0.93 -0.16 4.33 0.04 -1.16 -2.33 116.94 119.49 1wrl h PHE 20 Ca 0.24 -0.13 -0.07 0.00 2.80 0.00 0.00 57.97 60.81 1wrl h PHE 20 Cb -0.07 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 37.81 1wrl h PHE 20 CO -0.02 0.84 -0.21 -0.22 -0.60 0.00 0.00 178.31 178.10 1wrl h LYS 21 N 0.81 0.27 -0.08 1.51 1.63 -0.87 0.54 116.57 120.38 1wrl h LYS 21 Ca 0.16 -0.08 -0.12 0.00 -0.85 0.00 0.00 60.65 59.75 1wrl h LYS 21 Cb 0.46 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 1wrl h LYS 21 CO 0.02 0.47 -0.50 0.00 -3.45 0.00 0.00 179.45 176.00 1wrl h ALA 22 N 1.54 1.01 -0.03 5.00 0.00 -0.80 -1.01 119.26 124.97 1wrl h ALA 22 Ca 0.04 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 1wrl h ALA 22 Cb 0.51 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1wrl h ALA 22 CO 0.03 0.65 -0.46 0.00 0.00 0.00 0.00 179.25 179.47 1wrl h ALA 23 N 1.32 0.10 -0.60 0.00 0.00 -0.88 -3.05 119.26 116.15 1wrl h ALA 23 Ca 0.01 -0.51 0.02 0.00 0.00 0.00 0.00 54.91 54.42 1wrl h ALA 23 Cb 0.94 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1wrl h ALA 23 CO 0.08 0.27 0.39 0.35 0.00 0.00 0.00 179.25 180.34 1wrl h PHE 24 N -0.15 0.72 -0.04 0.00 3.57 -0.78 -2.04 116.94 118.21 1wrl h PHE 24 Ca -0.05 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.32 1wrl h PHE 24 Cb 1.16 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 1wrl h PHE 24 CO 0.14 0.44 -0.63 -0.44 -2.23 0.00 0.00 178.31 175.59 1wrl h ASP 25 N 0.76 0.17 1.82 0.41 3.32 -1.21 -2.31 116.42 119.38 1wrl h ASP 25 Ca 0.23 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1wrl h ASP 25 Cb -0.02 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 1wrl h ASP 25 CO -0.06 0.76 -0.18 -0.29 -1.72 0.00 0.00 179.24 177.75 1wrl h ILE 26 N 0.11 0.17 0.17 0.35 2.10 -1.32 -3.22 117.51 115.88 1wrl h ILE 26 Ca -0.01 -1.25 -0.32 0.00 1.08 0.00 0.00 64.86 64.37 1wrl h ILE 26 Cb 1.13 2.05 0.01 0.00 -1.09 0.00 0.00 36.82 38.92 1wrl h ILE 26 CO 0.09 0.10 -1.50 -0.26 -1.08 0.00 0.00 178.15 175.50 1wrl h PHE 27 N 0.00 0.65 -0.02 2.19 0.04 -1.30 -3.30 116.94 115.21 1wrl h PHE 27 Ca -0.00 -0.47 0.00 0.00 2.80 0.00 0.00 57.97 60.29 1wrl h PHE 27 Cb 1.08 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.21 1wrl h PHE 27 CO 0.00 1.47 0.00 1.33 -0.60 0.00 0.00 178.31 180.51 1wrl n VAL 28 N -3.56 0.02 -2.28 -0.55 0.24 -0.88 -4.76 118.33 106.56 1wrl n VAL 28 Ca -0.17 -0.02 -0.40 0.00 -2.04 0.00 0.00 64.34 61.71 1wrl n VAL 28 Cb 1.06 -0.10 -0.03 0.00 -1.47 0.00 0.00 33.84 33.30 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 -1.26 4.39 0.00 1.34 1.43 -1.22 -1.87 118.68 121.50 1wrl s LEU 29 Ca 0.13 2.45 0.00 0.00 -1.03 0.00 0.00 54.13 55.68 1wrl s LEU 29 Cb 0.06 -3.76 0.00 0.00 0.03 0.00 0.00 46.19 42.52 1wrl s LEU 29 CO 0.10 -0.46 0.00 0.61 0.23 0.00 0.00 176.35 176.83 1wrl n GLY 30 N 0.86 2.94 3.68 -3.19 0.00 -1.26 -4.98 105.19 103.25 1wrl n GLY 30 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.70 3.48 0.05 4.61 0.00 -0.78 -4.97 121.76 122.45 1wrl s ALA 31 Ca 0.00 0.43 -0.15 0.00 0.00 0.00 0.00 51.96 52.24 1wrl s ALA 31 Cb 0.00 -3.48 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 1wrl s ALA 31 CO 0.00 -0.74 1.25 1.49 0.00 0.00 0.00 175.76 177.76 1wrl h GLU 32 N 7.31 -0.31 -0.69 0.00 4.81 -1.89 -2.82 114.58 120.99 1wrl h GLU 32 Ca -0.30 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1wrl h GLU 32 Cb 1.14 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1wrl h GLU 32 CO 0.88 -0.21 0.00 -0.40 -0.73 0.00 0.00 179.01 178.55 1wrl n ASP 33 N -3.80 0.69 -2.09 1.04 3.85 -1.26 -4.87 116.55 110.12 1wrl n ASP 33 Ca -0.04 -2.00 -0.19 0.00 -0.71 0.00 0.00 54.79 51.85 1wrl n ASP 33 Cb 0.18 -0.34 -0.04 0.00 -1.35 0.00 0.00 41.12 39.57 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 0.16 0.38 3.30 6.12 0.00 -1.07 -4.97 105.19 109.11 1wrl n GLY 34 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.27 1.56 -0.21 1.61 1.04 -1.26 -4.92 113.70 109.26 1wrl s SER 35 Ca 0.00 -1.23 -0.22 0.00 0.48 0.00 0.00 55.95 54.98 1wrl s SER 35 Cb 0.00 0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.16 1wrl s SER 35 CO 0.00 -0.56 0.71 -0.63 0.98 0.00 0.00 173.24 173.73 1wrl s ILE 36 N -3.54 4.95 0.30 -1.02 1.01 -0.18 -4.85 121.20 117.88 1wrl s ILE 36 Ca 0.29 1.34 0.02 0.00 0.00 0.00 0.00 60.65 62.30 1wrl s ILE 36 Cb 0.06 -4.01 0.02 0.00 0.01 0.00 0.00 42.46 38.54 1wrl s ILE 36 CO 0.08 0.05 0.20 -1.54 0.00 0.00 0.00 174.94 173.73 1wrl n SER 37 N 5.33 2.08 0.27 3.58 3.41 -1.26 0.93 113.62 127.97 1wrl n SER 37 Ca 0.01 -2.08 0.11 0.00 -0.26 0.00 0.00 58.87 56.66 1wrl n SER 37 Cb 0.49 0.01 0.73 0.00 -0.26 0.00 0.00 64.21 65.18 1wrl n SER 37 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1wrl h THR 38 N 0.67 0.73 0.14 6.66 1.35 -1.91 -2.10 112.91 118.44 1wrl h THR 38 Ca -0.20 -0.32 -0.01 0.00 -0.55 0.00 0.00 66.41 65.34 1wrl h THR 38 Cb 0.71 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1wrl h THR 38 CO 0.32 0.08 -0.07 0.50 -0.25 0.00 0.00 175.52 176.10 1wrl h LYS 39 N 0.00 -0.19 -0.69 4.72 3.64 -1.99 -0.84 116.57 121.23 1wrl h LYS 39 Ca -0.00 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1wrl h LYS 39 Cb 0.18 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1wrl h LYS 39 CO 0.01 0.22 0.15 0.93 -2.27 0.00 0.00 179.45 178.49 1wrl h GLU 40 N -0.66 1.11 -0.03 1.90 3.07 -1.86 -1.49 114.58 116.62 1wrl h GLU 40 Ca -0.02 -0.27 -0.08 0.00 -0.50 0.00 0.00 59.36 58.49 1wrl h GLU 40 Cb 0.49 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 1wrl h GLU 40 CO 0.03 0.99 -0.34 1.25 -1.40 0.00 0.00 179.01 179.54 1wrl h LEU 41 N 1.05 0.06 0.01 1.33 5.85 -1.42 -2.56 115.31 119.64 1wrl h LEU 41 Ca 0.22 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.80 1wrl h LEU 41 Cb 0.38 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.41 1wrl h LEU 41 CO 0.00 0.40 -0.46 1.23 -0.34 0.00 0.00 178.44 179.27 1wrl h GLY 42 N 1.05 0.33 0.47 3.75 0.00 -0.73 -2.73 103.07 105.21 1wrl h GLY 42 Ca 0.01 -0.60 0.07 0.00 0.00 0.00 0.00 47.33 46.80 1wrl h GLY 42 CO 0.05 0.53 0.08 0.50 0.00 0.00 0.00 176.54 177.69 1wrl h LYS 43 N -0.31 0.20 -0.25 4.80 1.57 -1.22 0.15 116.57 121.51 1wrl h LYS 43 Ca -0.06 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1wrl h LYS 43 Cb 1.21 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.44 1wrl h LYS 43 CO 0.09 0.13 0.02 0.28 -0.57 0.00 0.00 179.45 179.40 1wrl h VAL 44 N 0.21 0.85 0.00 0.50 2.07 -1.53 0.17 116.25 118.52 1wrl h VAL 44 Ca 0.20 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.63 1wrl h VAL 44 Cb 0.25 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1wrl h VAL 44 CO -0.27 0.02 -0.26 0.24 0.02 0.00 0.00 177.57 177.32 1wrl h MET 45 N 0.10 0.00 0.02 1.57 2.86 -1.07 -2.60 114.93 115.82 1wrl h MET 45 Ca 0.11 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.52 1wrl h MET 45 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1wrl h MET 45 CO -0.18 0.26 -0.99 0.00 1.06 0.00 0.00 176.91 177.06 1wrl h ARG 46 N 0.00 0.38 -0.42 1.72 3.08 0.26 -0.60 114.38 118.80 1wrl h ARG 46 Ca -0.00 -0.44 0.12 0.00 0.07 0.00 0.00 59.98 59.73 1wrl h ARG 46 Cb 0.62 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 1wrl h ARG 46 CO 0.03 1.12 0.36 0.52 -1.07 0.00 0.00 179.97 180.93 1wrl h MET 47 N 0.20 0.00 -0.86 0.04 2.86 -0.32 0.16 114.93 117.02 1wrl h MET 47 Ca -0.09 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 57.08 1wrl h MET 47 Cb 1.64 0.00 -0.27 0.00 0.06 0.00 0.00 31.60 33.03 1wrl h MET 47 CO 0.17 0.00 0.49 1.28 1.06 0.00 0.00 176.91 179.91 1wrl n LEU 48 N -4.05 6.29 -2.60 1.22 4.77 -1.06 -4.93 117.00 116.64 1wrl n LEU 48 Ca 0.07 -3.78 -0.20 0.00 -0.03 0.00 0.00 56.01 52.08 1wrl n LEU 48 Cb 0.55 -0.80 0.02 0.00 -2.33 0.00 0.00 43.42 40.85 1wrl n LEU 48 CO 0.32 1.19 -0.07 0.61 -1.33 0.00 0.00 177.39 178.10 1wrl n GLY 49 N -1.10 -0.42 3.76 -0.72 0.00 0.05 -5.02 105.19 101.74 1wrl n GLY 49 Ca 0.54 0.01 -0.22 0.00 0.00 0.00 0.00 46.02 46.35 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 -5.41 2.60 -0.44 1.61 -1.52 -0.26 -5.01 119.66 111.24 1wrl s GLN 50 Ca 0.20 -1.31 0.10 0.00 -1.95 0.00 0.00 55.36 52.40 1wrl s GLN 50 Cb -0.09 -2.36 0.37 0.00 -0.22 0.00 0.00 33.01 30.72 1wrl s GLN 50 CO 0.24 0.26 0.88 0.27 -0.25 0.00 0.00 175.29 176.70 1wrl n ASN 51 N -1.14 2.56 -4.75 5.90 2.04 -1.26 -4.24 115.26 114.36 1wrl n ASN 51 Ca -0.05 -3.26 -0.41 0.00 -0.44 0.00 0.00 54.58 50.41 1wrl n ASN 51 Cb 0.59 -0.57 -0.02 0.00 -2.53 0.00 0.00 39.78 37.26 1wrl n ASN 51 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 1wrl s PRO 52 N -3.01 4.27 0.63 -0.53 0.04 -1.26 -5.02 135.00 130.12 1wrl s PRO 52 Ca 0.42 2.32 -0.07 0.00 0.04 0.00 0.00 61.00 63.70 1wrl s PRO 52 Cb 0.35 -3.08 0.02 0.00 0.04 0.00 0.00 34.50 31.83 1wrl s PRO 52 CO -0.09 -0.38 0.96 0.95 0.04 0.00 0.00 177.00 178.48 1wrl s THR 53 N -0.39 3.42 0.16 1.26 -4.23 -1.26 -4.89 115.64 109.71 1wrl s THR 53 Ca 0.56 0.08 -0.14 0.00 -1.18 0.00 0.00 61.69 61.01 1wrl s THR 53 Cb -0.42 -3.40 0.05 0.00 1.34 0.00 0.00 72.50 70.07 1wrl s THR 53 CO 0.48 -0.44 1.79 -0.65 -0.54 0.00 0.00 174.62 175.25 1wrl h PRO 54 N -0.35 0.70 -0.82 3.99 0.11 -1.99 -1.09 132.00 132.54 1wrl h PRO 54 Ca -0.45 -0.07 0.11 0.00 0.11 0.00 0.00 66.00 65.69 1wrl h PRO 54 Cb 1.26 -0.14 -0.08 0.00 0.11 0.00 0.00 31.00 32.16 1wrl h PRO 54 CO 0.61 0.52 0.45 0.93 -0.21 0.00 0.00 178.00 180.31 1wrl h GLU 55 N 0.68 0.71 -0.43 1.05 3.07 -1.99 0.31 114.58 117.98 1wrl h GLU 55 Ca 0.18 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.36 58.87 1wrl h GLU 55 Cb 0.02 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.75 1wrl h GLU 55 CO -0.03 0.47 -0.25 0.93 -1.40 0.00 0.00 179.01 178.73 1wrl h GLU 56 N 0.74 0.89 -0.34 2.33 5.08 -1.80 -1.98 114.58 119.49 1wrl h GLU 56 Ca 0.41 -0.39 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 1wrl h GLU 56 Cb 0.43 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1wrl h GLU 56 CO -0.28 1.04 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.64 1wrl h LEU 57 N 0.77 0.64 -1.50 1.33 3.38 -0.13 -1.87 115.31 117.93 1wrl h LEU 57 Ca 0.10 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.73 1wrl h LEU 57 Cb 0.80 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1wrl h LEU 57 CO 0.07 0.84 0.34 1.56 0.09 0.00 0.00 178.44 181.34 1wrl h GLN 58 N 0.43 0.66 -0.14 1.13 4.20 -0.33 -2.30 115.11 118.76 1wrl h GLN 58 Ca 0.09 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.62 1wrl h GLN 58 Cb 0.55 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1wrl h GLN 58 CO 0.03 0.44 -0.47 1.49 -0.67 0.00 0.00 178.83 179.65 1wrl h GLU 59 N 0.68 0.56 -0.90 1.46 4.81 -1.11 -1.68 114.58 118.40 1wrl h GLU 59 Ca 0.19 -0.42 0.06 0.00 -0.13 0.00 0.00 59.36 59.06 1wrl h GLU 59 Cb -0.04 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.35 1wrl h GLU 59 CO -0.04 1.04 0.57 0.52 -0.73 0.00 0.00 179.01 180.36 1wrl h MET 60 N 0.19 1.02 -0.06 1.92 2.86 -0.98 -2.09 114.93 117.80 1wrl h MET 60 Ca -0.02 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 1wrl h MET 60 Cb 1.09 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 32.52 1wrl h MET 60 CO 0.10 0.67 -0.04 0.82 1.06 0.00 0.00 176.91 179.52 1wrl h ILE 61 N 1.05 1.35 -0.76 -1.22 2.04 -1.40 -3.27 117.51 115.30 1wrl h ILE 61 Ca 0.38 -1.14 0.13 0.00 1.00 0.00 0.00 64.86 65.24 1wrl h ILE 61 Cb 0.13 1.99 -0.09 0.00 -0.74 0.00 0.00 36.82 38.12 1wrl h ILE 61 CO -0.16 0.31 0.34 -0.78 0.00 0.00 0.00 178.15 177.86 1wrl h ASP 62 N -0.29 0.37 0.00 1.72 -0.00 -0.95 -1.25 116.42 116.02 1wrl h ASP 62 Ca 0.01 0.09 0.00 0.00 -0.00 0.00 0.00 57.03 57.13 1wrl h ASP 62 Cb 0.52 0.05 0.00 0.00 -0.00 0.00 0.00 39.33 39.90 1wrl h ASP 62 CO 0.01 0.17 0.14 -0.62 -0.00 0.00 0.00 179.24 178.94 1wrl n GLU 63 N -4.94 0.03 -0.03 0.28 1.02 -0.82 -1.19 120.64 114.99 1wrl n GLU 63 Ca 0.14 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 1wrl n GLU 63 Cb 0.38 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1wrl n GLU 63 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1wrl n VAL 64 N -1.58 0.08 -2.64 2.62 0.24 -0.72 -4.97 118.33 111.37 1wrl n VAL 64 Ca -0.00 -0.08 -0.43 0.00 -2.04 0.00 0.00 64.34 61.79 1wrl n VAL 64 Cb 0.15 0.93 0.00 0.00 -1.47 0.00 0.00 33.84 33.46 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 4.97 0.27 -1.34 4.64 -0.33 -4.76 116.55 119.96 1wrl n ASP 65 Ca 0.00 -2.93 0.16 0.00 -1.38 0.00 0.00 54.79 50.63 1wrl n ASP 65 Cb 0.49 -1.70 0.72 0.00 -1.04 0.00 0.00 41.12 39.60 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 7.36 0.00 -0.42 -0.67 4.39 -1.90 -2.80 114.58 120.54 1wrl h GLU 66 Ca 0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.12 1wrl h GLU 66 Cb 0.86 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1wrl h GLU 66 CO 1.43 0.07 0.00 -0.40 -1.16 0.00 0.00 179.01 178.94 1wrl n ASP 67 N -3.26 3.17 -4.01 1.42 5.75 -1.26 -4.99 116.55 113.38 1wrl n ASP 67 Ca -0.00 -2.03 -0.27 0.00 -0.01 0.00 0.00 54.79 52.47 1wrl n ASP 67 Cb 0.28 -0.29 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 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 0.72 -0.25 0.00 6.12 0.00 -1.06 -4.86 105.19 105.86 1wrl n GLY 68 Ca 0.14 0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.42 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 -2.93 0.84 0.00 1.61 3.41 -1.26 -4.94 113.62 110.35 1wrl n SER 69 Ca -0.25 -0.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.57 1wrl n SER 69 Cb 0.65 0.98 0.00 0.00 -0.26 0.00 0.00 64.21 65.58 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 1.47 0.79 3.33 5.00 0.00 -1.26 -4.99 105.19 109.53 1wrl n GLY 70 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.21 1.59 -0.26 2.61 -4.23 -1.26 -4.60 115.64 106.27 1wrl s THR 71 Ca 0.00 -2.17 -0.03 0.00 -1.18 0.00 0.00 61.69 58.32 1wrl s THR 71 Cb 0.00 -2.06 0.02 0.00 1.34 0.00 0.00 72.50 71.80 1wrl s THR 71 CO 0.00 -0.58 -0.03 -0.69 -0.54 0.00 0.00 174.62 172.78 1wrl s VAL 72 N -3.07 3.10 0.59 2.29 1.01 0.27 -4.87 120.40 119.73 1wrl s VAL 72 Ca 0.22 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 1wrl s VAL 72 Cb 0.01 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.83 1wrl s VAL 72 CO 0.06 0.16 0.86 1.51 0.00 0.00 0.00 175.10 177.70 1wrl s ASP 73 N 1.36 5.27 0.30 3.32 3.84 -1.26 -1.01 116.67 128.48 1wrl s ASP 73 Ca 0.00 0.33 0.05 0.00 -0.00 0.00 0.00 52.55 52.93 1wrl s ASP 73 Cb -0.17 -1.21 0.73 0.00 -1.38 0.00 0.00 42.92 40.89 1wrl s ASP 73 CO -0.03 -1.21 1.76 0.15 -0.00 0.00 0.00 175.17 175.84 1wrl h PHE 74 N -0.15 0.98 -0.38 2.11 3.57 -1.99 0.64 116.94 121.72 1wrl h PHE 74 Ca -0.44 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.12 1wrl h PHE 74 Cb 1.29 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 1wrl h PHE 74 CO 0.39 0.18 0.20 -0.44 -2.23 0.00 0.00 178.31 176.41 1wrl h ASP 75 N 0.68 0.31 -0.09 0.41 3.32 -2.01 -1.89 116.42 117.15 1wrl h ASP 75 Ca 0.57 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.52 1wrl h ASP 75 Cb 0.92 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 1wrl h ASP 75 CO -0.41 0.22 -0.30 -0.33 -1.72 0.00 0.00 179.24 176.71 1wrl h GLU 76 N 0.41 0.56 -0.78 3.56 5.08 -1.53 -3.07 114.58 118.81 1wrl h GLU 76 Ca 0.16 -0.24 0.09 0.00 -1.00 0.00 0.00 59.36 58.37 1wrl h GLU 76 Cb 0.05 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.21 1wrl h GLU 76 CO -0.10 0.79 0.43 0.35 -1.00 0.00 0.00 179.01 179.49 1wrl h PHE 77 N 0.48 0.79 -0.73 4.33 3.57 -0.15 -1.54 116.94 123.68 1wrl h PHE 77 Ca 0.06 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1wrl h PHE 77 Cb 0.76 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 1wrl h PHE 77 CO 0.03 0.33 0.45 -0.07 -2.23 0.00 0.00 178.31 176.82 1wrl h LEU 78 N 0.74 0.88 -1.41 0.59 3.38 -1.31 -0.61 115.31 117.58 1wrl h LEU 78 Ca 0.37 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.24 1wrl h LEU 78 Cb 0.33 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1wrl h LEU 78 CO -0.24 0.67 -0.07 0.58 0.09 0.00 0.00 178.44 179.48 1wrl h VAL 79 N 1.00 1.17 -0.18 1.22 2.07 -1.40 0.12 116.25 120.25 1wrl h VAL 79 Ca 0.26 -0.70 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 1wrl h VAL 79 Cb -0.05 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1wrl h VAL 79 CO -0.05 0.23 -0.30 -0.03 0.02 0.00 0.00 177.57 177.44 1wrl h MET 80 N 0.29 0.35 -0.05 1.57 1.85 -0.21 1.39 114.93 120.13 1wrl h MET 80 Ca 0.06 -0.14 -0.09 0.00 -0.61 0.00 0.00 59.70 58.92 1wrl h MET 80 Cb 0.31 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.33 1wrl h MET 80 CO 0.01 0.62 -0.33 0.52 -0.40 0.00 0.00 176.91 177.34 1wrl h MET 81 N 0.31 0.31 0.22 0.39 2.07 -0.15 -3.26 114.93 114.82 1wrl h MET 81 Ca 0.04 -0.27 -0.01 0.00 -2.07 0.00 0.00 59.70 57.39 1wrl h MET 81 Cb 0.69 0.06 0.00 0.00 -1.87 0.00 0.00 31.60 30.48 1wrl h MET 81 CO 0.05 0.92 -0.11 0.28 1.07 0.00 0.00 176.91 179.13 1wrl h VAL 82 N -0.22 0.80 -0.99 -2.22 2.07 -0.84 -3.33 116.25 111.52 1wrl h VAL 82 Ca -0.03 -0.86 0.13 0.00 0.82 0.00 0.00 66.70 66.76 1wrl h VAL 82 Cb 1.00 1.25 -0.14 0.00 -1.52 0.00 0.00 31.29 31.88 1wrl h VAL 82 CO 0.07 0.17 -0.46 -1.14 0.02 0.00 0.00 177.57 176.23 1wrl n ARG 83 N -5.02 -0.31 -0.32 1.57 0.63 0.48 0.02 116.66 113.71 1wrl n ARG 83 Ca -0.09 1.52 0.18 0.00 -0.92 0.00 0.00 57.85 58.55 1wrl n ARG 83 Cb 0.26 -2.25 0.38 0.00 0.45 0.00 0.00 32.46 31.31 1wrl n ARG 83 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1wrl h SER 84 N 0.00 0.24 0.00 6.15 4.64 -1.67 -3.51 113.55 119.40 1wrl h SER 84 Ca 0.28 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1wrl h SER 84 Cb 0.52 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1wrl h SER 84 CO -0.97 -0.15 0.00 0.80 -0.87 0.00 0.00 176.83 175.64