#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wrl h TYR 5 N 0.00 0.00 -0.06 1.39 0.05 -2.00 -2.90 116.97 113.45 1wrl h TYR 5 Ca 0.00 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.80 1wrl h TYR 5 Cb 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 1wrl h TYR 5 CO 0.00 0.56 0.36 0.87 -1.05 0.00 0.00 178.16 178.90 1wrl h LYS 6 N 0.00 0.00 0.07 4.88 6.56 -1.99 0.42 116.57 126.51 1wrl h LYS 6 Ca -0.01 0.00 -0.24 0.00 -1.06 0.00 0.00 60.65 59.34 1wrl h LYS 6 Cb 1.12 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 32.81 1wrl h LYS 6 CO 0.07 0.00 -1.00 0.00 -2.06 0.00 0.00 179.45 176.46 1wrl h ALA 7 N 1.34 0.03 0.00 3.86 0.00 -1.94 -2.64 119.26 119.90 1wrl h ALA 7 Ca 0.03 -0.70 -0.08 0.00 0.00 0.00 0.00 54.91 54.16 1wrl h ALA 7 Cb 0.75 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1wrl h ALA 7 CO -0.00 0.57 -0.37 0.00 0.00 0.00 0.00 179.25 179.45 1wrl h ALA 8 N 0.29 1.29 -0.01 0.00 0.00 -0.35 -2.43 119.26 118.05 1wrl h ALA 8 Ca -0.14 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.26 1wrl h ALA 8 Cb 1.69 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1wrl h ALA 8 CO 0.19 0.46 -0.78 0.28 0.00 0.00 0.00 179.25 179.40 1wrl h VAL 9 N 0.00 1.49 0.00 0.00 2.07 -1.29 -2.95 116.25 115.57 1wrl h VAL 9 Ca -0.00 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.05 1wrl h VAL 9 Cb 0.69 2.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1wrl h VAL 9 CO 0.05 0.72 0.00 -0.33 0.02 0.00 0.00 177.57 178.02 1wrl h GLU 10 N 0.09 0.00 0.03 1.57 4.39 -1.06 -3.03 114.58 116.57 1wrl h GLU 10 Ca -0.02 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.42 1wrl h GLU 10 Cb 1.36 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.99 1wrl h GLU 10 CO 0.11 0.00 -1.27 1.96 -1.16 0.00 0.00 179.01 178.66 1wrl h GLN 11 N 0.00 0.07 -6.51 2.33 1.08 -1.30 -3.46 115.11 107.32 1wrl h GLN 11 Ca 0.00 -0.13 -0.60 0.00 -1.45 0.00 0.00 58.65 56.47 1wrl h GLN 11 Cb 0.67 0.05 0.09 0.00 -0.05 0.00 0.00 27.48 28.23 1wrl h GLN 11 CO 0.00 0.94 0.43 1.28 -0.95 0.00 0.00 178.83 180.52 1wrl n LEU 12 N -3.32 2.48 -4.82 1.46 4.77 -1.13 -4.96 117.00 111.47 1wrl n LEU 12 Ca -0.07 1.15 -0.30 0.00 -0.03 0.00 0.00 56.01 56.76 1wrl n LEU 12 Cb 0.99 -1.35 0.09 0.00 -2.33 0.00 0.00 43.42 40.82 1wrl n LEU 12 CO 0.48 -0.87 0.73 0.42 -1.33 0.00 0.00 177.39 176.81 1wrl s THR 13 N -0.35 2.82 0.31 -5.08 -4.23 -1.26 -4.89 115.64 102.96 1wrl s THR 13 Ca 0.67 0.27 0.24 0.00 -1.18 0.00 0.00 61.69 61.68 1wrl s THR 13 Cb -0.71 -3.07 0.23 0.00 1.34 0.00 0.00 72.50 70.29 1wrl s THR 13 CO 0.53 -0.35 1.94 -0.08 -0.54 0.00 0.00 174.62 176.12 1wrl h GLU 14 N -1.10 0.00 -0.17 3.99 4.57 -1.99 -2.25 114.58 117.62 1wrl h GLU 14 Ca -0.47 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.49 1wrl h GLU 14 Cb 1.28 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.88 1wrl h GLU 14 CO 0.61 0.21 -0.73 1.49 -1.18 0.00 0.00 179.01 179.41 1wrl h GLU 15 N 0.00 0.77 -0.44 1.92 4.81 -1.99 -2.20 114.58 117.46 1wrl h GLU 15 Ca -0.00 -0.60 -0.13 0.00 -0.13 0.00 0.00 59.36 58.50 1wrl h GLU 15 Cb 0.54 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1wrl h GLU 15 CO 0.03 1.22 -0.23 1.96 -0.73 0.00 0.00 179.01 181.25 1wrl h GLN 16 N 0.54 0.91 -0.60 1.92 4.20 -1.85 -1.69 115.11 118.54 1wrl h GLN 16 Ca -0.04 -0.39 -0.07 0.00 0.06 0.00 0.00 58.65 58.21 1wrl h GLN 16 Cb 1.35 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.07 1wrl h GLN 16 CO 0.15 1.05 0.08 0.87 -0.67 0.00 0.00 178.83 180.31 1wrl h LYS 17 N 0.79 0.99 0.00 1.46 1.57 -1.41 -0.85 116.57 119.12 1wrl h LYS 17 Ca 0.10 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 1wrl h LYS 17 Cb 0.79 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1wrl h LYS 17 CO 0.07 0.93 -0.39 -0.91 -0.57 0.00 0.00 179.45 178.57 1wrl h ASN 18 N 0.93 0.00 -0.09 0.86 -0.26 -1.17 0.26 115.58 116.11 1wrl h ASN 18 Ca 0.18 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.85 1wrl h ASN 18 Cb 0.43 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.69 1wrl h ASN 18 CO 0.01 0.39 -0.22 -0.33 -1.06 0.00 0.00 177.43 176.22 1wrl h GLU 19 N 0.00 0.31 -0.29 0.81 5.08 -0.67 -1.72 114.58 118.11 1wrl h GLU 19 Ca -0.00 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 1wrl h GLU 19 Cb 0.70 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1wrl h GLU 19 CO 0.05 0.82 -0.08 0.74 -1.00 0.00 0.00 179.01 179.54 1wrl h PHE 20 N -0.15 0.49 -0.55 4.33 0.04 -0.92 -2.24 116.94 117.94 1wrl h PHE 20 Ca -0.00 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 1wrl h PHE 20 Cb 0.82 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.81 1wrl h PHE 20 CO 0.11 0.54 0.23 -0.22 -0.60 0.00 0.00 178.31 178.38 1wrl h LYS 21 N 0.44 0.81 -0.37 1.51 1.63 -0.38 0.53 116.57 120.74 1wrl h LYS 21 Ca 0.09 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 59.73 1wrl h LYS 21 Cb 0.41 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 1wrl h LYS 21 CO 0.02 0.69 0.14 0.00 -3.45 0.00 0.00 179.45 176.85 1wrl h ALA 22 N 1.08 1.56 -0.12 5.00 0.00 -0.85 0.36 119.26 126.29 1wrl h ALA 22 Ca 0.18 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 1wrl h ALA 22 Cb 0.17 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1wrl h ALA 22 CO -0.02 0.34 -0.72 0.00 0.00 0.00 0.00 179.25 178.86 1wrl h ALA 23 N 1.64 0.25 0.09 0.00 0.00 -0.77 -3.00 119.26 117.47 1wrl h ALA 23 Ca 0.13 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1wrl h ALA 23 Cb 0.12 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1wrl h ALA 23 CO -0.01 0.58 -0.09 0.35 0.00 0.00 0.00 179.25 180.08 1wrl h PHE 24 N 0.38 -0.22 -0.67 0.00 3.57 0.99 -1.80 116.94 119.18 1wrl h PHE 24 Ca -0.06 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.56 1wrl h PHE 24 Cb 1.36 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 40.14 1wrl h PHE 24 CO 0.10 -0.14 0.45 -0.44 -2.23 0.00 0.00 178.31 176.06 1wrl h ASP 25 N -0.20 0.38 1.16 0.41 3.32 -0.35 0.03 116.42 121.18 1wrl h ASP 25 Ca 0.00 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.94 1wrl h ASP 25 Cb 0.19 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1wrl h ASP 25 CO -0.02 0.22 -0.60 0.40 -1.72 0.00 0.00 179.24 177.51 1wrl h ILE 26 N 0.42 1.12 0.00 0.35 1.08 -1.32 -3.04 117.51 116.12 1wrl h ILE 26 Ca 0.32 -2.35 0.00 0.00 -0.39 0.00 0.00 64.86 62.44 1wrl h ILE 26 Cb 0.68 2.40 0.00 0.00 -3.07 0.00 0.00 36.82 36.83 1wrl h ILE 26 CO -0.10 0.59 0.00 -0.26 -0.69 0.00 0.00 178.15 177.70 1wrl h PHE 27 N 0.00 0.00 -0.18 1.37 0.04 -0.14 -3.23 116.94 114.79 1wrl h PHE 27 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1wrl h PHE 27 Cb 1.35 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.50 1wrl h PHE 27 CO 0.00 0.00 0.00 1.33 -0.60 0.00 0.00 178.31 179.04 1wrl n VAL 28 N -2.95 0.35 -1.55 -0.55 0.24 -0.92 -4.82 118.33 108.13 1wrl n VAL 28 Ca 0.04 -0.67 -0.38 0.00 -2.04 0.00 0.00 64.34 61.28 1wrl n VAL 28 Cb 0.48 1.04 -0.04 0.00 -1.47 0.00 0.00 33.84 33.85 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 0.91 2.37 0.00 1.34 4.77 -1.15 0.16 117.00 125.39 1wrl n LEU 29 Ca 0.12 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1wrl n LEU 29 Cb 0.43 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.00 1wrl n LEU 29 CO 0.10 -1.31 0.00 0.61 -1.33 0.00 0.00 177.39 175.46 1wrl n GLY 30 N 6.02 0.81 3.76 -0.72 0.00 -1.26 -5.08 105.19 108.73 1wrl n GLY 30 Ca 0.38 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.00 3.46 0.07 4.61 0.00 0.42 -4.95 121.76 123.37 1wrl s ALA 31 Ca 0.00 1.10 -0.29 0.00 0.00 0.00 0.00 51.96 52.77 1wrl s ALA 31 Cb 0.00 -3.42 -0.18 0.00 0.00 0.00 0.00 23.12 19.53 1wrl s ALA 31 CO 0.00 -0.44 1.63 1.49 0.00 0.00 0.00 175.76 178.44 1wrl h GLU 32 N 3.71 -0.56 -0.61 0.00 4.57 -1.87 -3.20 114.58 116.61 1wrl h GLU 32 Ca -0.48 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 1wrl h GLU 32 Cb 1.22 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 1wrl h GLU 32 CO 0.67 -0.36 0.00 -0.40 -1.18 0.00 0.00 179.01 177.74 1wrl n ASP 33 N -5.33 4.40 -0.70 1.04 3.85 -1.26 -4.93 116.55 113.63 1wrl n ASP 33 Ca -0.11 -2.36 -0.07 0.00 -0.71 0.00 0.00 54.79 51.54 1wrl n ASP 33 Cb 0.25 -0.53 -0.02 0.00 -1.35 0.00 0.00 41.12 39.48 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 1.07 0.50 3.19 6.12 0.00 -1.21 -5.02 105.19 109.84 1wrl n GLY 34 Ca 0.24 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.79 1.20 -0.23 1.61 0.01 -1.26 -4.91 113.70 107.33 1wrl s SER 35 Ca 0.00 -1.04 -0.28 0.00 1.31 0.00 0.00 55.95 55.94 1wrl s SER 35 Cb 0.00 0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.33 1wrl s SER 35 CO 0.00 -0.48 1.00 -0.63 0.41 0.00 0.00 173.24 173.54 1wrl s ILE 36 N -3.61 4.71 0.53 1.44 1.01 -0.61 -4.73 121.20 119.94 1wrl s ILE 36 Ca 0.15 1.95 0.04 0.00 0.00 0.00 0.00 60.65 62.79 1wrl s ILE 36 Cb 0.05 -4.28 0.04 0.00 0.01 0.00 0.00 42.46 38.29 1wrl s ILE 36 CO -0.02 -0.15 0.35 -1.54 0.00 0.00 0.00 174.94 173.57 1wrl n SER 37 N 6.19 2.80 0.09 3.58 3.41 -1.26 0.42 113.62 128.86 1wrl n SER 37 Ca 0.11 -2.88 0.06 0.00 -0.26 0.00 0.00 58.87 55.89 1wrl n SER 37 Cb 0.46 0.01 0.51 0.00 -0.26 0.00 0.00 64.21 64.94 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 0.74 1.05 0.22 6.66 1.35 -1.91 -0.93 112.91 120.10 1wrl h THR 38 Ca -0.35 -0.12 -0.01 0.00 -0.55 0.00 0.00 66.41 65.39 1wrl h THR 38 Cb 1.24 0.69 -0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1wrl h THR 38 CO 0.55 0.06 -0.12 0.50 -0.25 0.00 0.00 175.52 176.26 1wrl h LYS 39 N 0.34 -0.31 -0.23 4.72 3.64 -1.99 -0.22 116.57 122.52 1wrl h LYS 39 Ca 0.10 0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.35 1wrl h LYS 39 Cb -0.00 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1wrl h LYS 39 CO -0.02 -0.21 -0.48 0.93 -2.27 0.00 0.00 179.45 177.40 1wrl h GLU 40 N -0.32 0.62 -0.61 1.90 3.07 -1.80 -1.99 114.58 115.46 1wrl h GLU 40 Ca -0.03 -0.36 -0.06 0.00 -0.50 0.00 0.00 59.36 58.41 1wrl h GLU 40 Cb 0.26 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.17 1wrl h GLU 40 CO 0.04 0.96 0.13 1.25 -1.40 0.00 0.00 179.01 180.00 1wrl h LEU 41 N 0.49 0.93 -0.55 1.33 5.85 -1.05 -1.26 115.31 121.06 1wrl h LEU 41 Ca 0.03 -0.24 -0.14 0.00 0.84 0.00 0.00 57.88 58.37 1wrl h LEU 41 Cb 1.02 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1wrl h LEU 41 CO 0.09 0.93 -0.34 1.23 -0.34 0.00 0.00 178.44 180.01 1wrl h GLY 42 N 0.89 0.86 0.75 3.75 0.00 -1.02 -2.09 103.07 106.21 1wrl h GLY 42 Ca 0.19 -0.83 0.02 0.00 0.00 0.00 0.00 47.33 46.71 1wrl h GLY 42 CO 0.00 0.75 -0.03 1.70 0.00 0.00 0.00 176.54 178.97 1wrl h LYS 43 N 0.66 0.01 -0.48 4.80 3.64 -1.03 0.29 116.57 124.46 1wrl h LYS 43 Ca 0.07 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1wrl h LYS 43 Cb 0.89 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 1wrl h LYS 43 CO 0.08 0.01 0.23 0.28 -2.27 0.00 0.00 179.45 177.78 1wrl h VAL 44 N 0.01 1.19 -0.39 2.00 2.07 -1.18 -1.96 116.25 117.99 1wrl h VAL 44 Ca 0.06 -0.53 -0.12 0.00 0.82 0.00 0.00 66.70 66.93 1wrl h VAL 44 Cb 0.09 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1wrl h VAL 44 CO -0.13 0.21 -0.24 0.24 0.02 0.00 0.00 177.57 177.67 1wrl h MET 45 N 0.63 0.80 -0.60 1.57 2.86 -1.03 -2.55 114.93 116.61 1wrl h MET 45 Ca 0.16 -0.34 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 1wrl h MET 45 Cb 0.11 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 1wrl h MET 45 CO -0.02 0.96 0.30 0.00 1.06 0.00 0.00 176.91 179.21 1wrl h ARG 46 N 0.69 0.86 -0.12 1.72 2.47 -0.28 0.14 114.38 119.86 1wrl h ARG 46 Ca 0.09 -0.12 0.03 0.00 -1.26 0.00 0.00 59.98 58.72 1wrl h ARG 46 Cb 0.77 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.92 1wrl h ARG 46 CO 0.06 0.68 0.08 1.98 0.56 0.00 0.00 179.97 183.33 1wrl h MET 47 N 0.82 0.02 -0.66 0.04 4.05 -1.14 0.92 114.93 118.97 1wrl h MET 47 Ca 0.21 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.63 1wrl h MET 47 Cb 0.09 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.89 1wrl h MET 47 CO -0.03 0.02 0.00 1.28 0.23 0.00 0.00 176.91 178.41 1wrl n LEU 48 N -4.51 4.66 -0.05 3.39 4.77 -0.71 -4.91 117.00 119.64 1wrl n LEU 48 Ca -0.00 -2.36 -0.01 0.00 -0.03 0.00 0.00 56.01 53.61 1wrl n LEU 48 Cb 0.18 -0.63 -0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1wrl n LEU 48 CO 0.35 0.57 -0.01 0.61 -1.33 0.00 0.00 177.39 177.58 1wrl n GLY 49 N 0.56 0.45 3.92 -0.72 0.00 0.32 -5.04 105.19 104.68 1wrl n GLY 49 Ca 0.22 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.51 3.09 -0.42 1.61 -1.52 0.41 -4.98 119.66 116.34 1wrl s GLN 50 Ca 0.00 -1.01 0.11 0.00 -1.95 0.00 0.00 55.36 52.51 1wrl s GLN 50 Cb 0.00 -2.72 0.36 0.00 -0.22 0.00 0.00 33.01 30.44 1wrl s GLN 50 CO 0.00 0.25 0.82 0.09 -0.25 0.00 0.00 175.29 176.20 1wrl n ASN 51 N -1.42 1.92 -4.75 5.90 4.13 -1.26 -3.72 115.26 116.06 1wrl n ASN 51 Ca -0.05 -3.17 -0.37 0.00 1.68 0.00 0.00 54.58 52.68 1wrl n ASN 51 Cb 0.58 -0.59 0.03 0.00 -1.54 0.00 0.00 39.78 38.26 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 -2.80 3.08 0.65 3.52 0.04 -1.26 -5.03 135.00 133.20 1wrl s PRO 52 Ca 0.41 1.90 -0.07 0.00 0.04 0.00 0.00 61.00 63.28 1wrl s PRO 52 Cb 0.35 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.88 1wrl s PRO 52 CO -0.09 -1.14 0.97 0.95 0.04 0.00 0.00 177.00 177.73 1wrl s THR 53 N -1.52 3.16 0.35 1.26 -4.23 -1.26 -4.90 115.64 108.50 1wrl s THR 53 Ca 0.75 -0.01 0.04 0.00 -1.18 0.00 0.00 61.69 61.29 1wrl s THR 53 Cb -0.32 -3.31 0.20 0.00 1.34 0.00 0.00 72.50 70.41 1wrl s THR 53 CO 0.36 -0.33 1.94 -0.65 -0.54 0.00 0.00 174.62 175.39 1wrl h PRO 54 N -0.40 0.60 -0.24 3.99 0.11 -2.00 -1.41 132.00 132.66 1wrl h PRO 54 Ca -0.45 -0.09 -0.12 0.00 0.11 0.00 0.00 66.00 65.45 1wrl h PRO 54 Cb 1.28 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1wrl h PRO 54 CO 0.61 0.52 -0.35 0.93 -0.21 0.00 0.00 178.00 179.50 1wrl h GLU 55 N 0.60 0.53 -0.01 1.05 3.07 -2.00 -2.69 114.58 115.13 1wrl h GLU 55 Ca 0.14 -0.25 -0.19 0.00 -0.50 0.00 0.00 59.36 58.57 1wrl h GLU 55 Cb 0.17 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 1wrl h GLU 55 CO -0.01 0.81 -0.82 0.93 -1.40 0.00 0.00 179.01 178.52 1wrl h GLU 56 N 0.45 0.20 -0.27 2.33 5.08 -1.79 -2.71 114.58 117.87 1wrl h GLU 56 Ca 0.05 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.09 1wrl h GLU 56 Cb 0.83 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1wrl h GLU 56 CO 0.07 0.91 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.59 1wrl h LEU 57 N 0.12 0.59 -0.66 1.33 3.38 -1.20 -1.90 115.31 116.96 1wrl h LEU 57 Ca -0.03 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.57 1wrl h LEU 57 Cb 1.42 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1wrl h LEU 57 CO 0.12 0.88 -0.41 1.56 0.09 0.00 0.00 178.44 180.68 1wrl h GLN 58 N 0.49 0.56 -0.32 1.13 4.20 -1.44 -2.32 115.11 117.41 1wrl h GLN 58 Ca 0.06 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.45 1wrl h GLN 58 Cb 0.80 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 1wrl h GLN 58 CO 0.07 0.88 0.08 0.93 -0.67 0.00 0.00 178.83 180.11 1wrl h GLU 59 N 0.46 0.51 -0.85 1.46 5.08 -1.21 0.44 114.58 120.46 1wrl h GLU 59 Ca 0.04 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1wrl h GLU 59 Cb 0.92 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.05 1wrl h GLU 59 CO 0.08 0.57 0.55 0.52 -1.00 0.00 0.00 179.01 179.73 1wrl h MET 60 N 0.35 1.03 0.20 2.33 2.86 -1.21 -0.19 114.93 120.29 1wrl h MET 60 Ca 0.10 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1wrl h MET 60 Cb 0.29 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1wrl h MET 60 CO 0.00 0.68 -0.09 0.82 1.06 0.00 0.00 176.91 179.38 1wrl h ILE 61 N 1.06 0.89 -0.83 -1.22 1.08 -1.21 -3.26 117.51 114.02 1wrl h ILE 61 Ca 0.34 -0.82 0.15 0.00 -0.39 0.00 0.00 64.86 64.14 1wrl h ILE 61 Cb 0.03 1.34 -0.06 0.00 -3.07 0.00 0.00 36.82 35.06 1wrl h ILE 61 CO -0.12 0.17 0.54 -0.78 -0.69 0.00 0.00 178.15 177.28 1wrl h ASP 62 N -0.70 0.51 -0.43 1.72 1.82 -0.63 -0.84 116.42 117.87 1wrl h ASP 62 Ca -0.03 0.03 0.12 0.00 -0.39 0.00 0.00 57.03 56.77 1wrl h ASP 62 Cb 0.49 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.41 1wrl h ASP 62 CO 0.04 0.26 0.36 -0.33 -1.61 0.00 0.00 179.24 177.96 1wrl h GLU 63 N 0.54 0.00 0.00 0.28 5.08 -1.07 -2.76 114.58 116.65 1wrl h GLU 63 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1wrl h GLU 63 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1wrl h GLU 63 CO -0.16 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 179.18 1wrl n VAL 64 N -4.11 0.41 -1.48 3.13 0.24 -0.56 -4.92 118.33 111.04 1wrl n VAL 64 Ca 0.07 -0.60 -0.42 0.00 -2.04 0.00 0.00 64.34 61.36 1wrl n VAL 64 Cb 0.55 0.89 -0.02 0.00 -1.47 0.00 0.00 33.84 33.79 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 -0.21 3.71 0.00 -1.34 4.64 -0.43 -4.76 116.55 118.16 1wrl n ASP 65 Ca 0.00 -2.75 0.03 0.00 -1.38 0.00 0.00 54.79 50.69 1wrl n ASP 65 Cb 0.18 -1.45 0.20 0.00 -1.04 0.00 0.00 41.12 39.02 1wrl n ASP 65 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1wrl n GLU 66 N 6.20 0.23 0.00 -0.67 -0.58 -1.26 -1.77 120.64 122.80 1wrl n GLU 66 Ca 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.26 1wrl n GLU 66 Cb 0.38 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 1wrl n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1wrl n ASP 67 N -0.96 0.79 -3.54 1.62 5.75 -1.26 -5.03 116.55 113.92 1wrl n ASP 67 Ca 0.05 -1.00 -0.22 0.00 -0.01 0.00 0.00 54.79 53.60 1wrl n ASP 67 Cb 0.02 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.19 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 -0.00 -0.50 0.01 6.12 0.00 -0.73 -4.92 105.19 105.18 1wrl n GLY 68 Ca 0.00 0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.35 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 -3.01 0.67 -0.26 1.61 3.41 -1.26 -4.94 113.62 109.85 1wrl n SER 69 Ca -0.05 -0.44 -0.03 0.00 -0.26 0.00 0.00 58.87 58.08 1wrl n SER 69 Cb 0.58 0.62 -0.01 0.00 -0.26 0.00 0.00 64.21 65.14 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 1.46 0.64 3.23 5.00 0.00 -1.26 -5.00 105.19 109.26 1wrl n GLY 70 Ca 0.04 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.08 0.13 -0.29 2.61 -4.23 -1.26 -4.62 115.64 105.89 1wrl s THR 71 Ca 0.00 -1.04 -0.09 0.00 -1.18 0.00 0.00 61.69 59.39 1wrl s THR 71 Cb 0.00 -1.27 -0.01 0.00 1.34 0.00 0.00 72.50 72.56 1wrl s THR 71 CO 0.00 -0.57 0.12 -0.69 -0.54 0.00 0.00 174.62 172.94 1wrl s VAL 72 N -3.73 4.49 0.57 2.29 1.01 0.17 -4.85 120.40 120.36 1wrl s VAL 72 Ca 0.04 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 1wrl s VAL 72 Cb 0.04 -3.23 0.03 0.00 0.00 0.00 0.00 36.38 33.22 1wrl s VAL 72 CO -0.11 0.16 0.83 1.51 0.00 0.00 0.00 175.10 177.50 1wrl s ASP 73 N 1.61 5.35 0.27 3.32 3.84 -1.26 -1.57 116.67 128.23 1wrl s ASP 73 Ca 0.05 0.31 0.00 0.00 -0.00 0.00 0.00 52.55 52.91 1wrl s ASP 73 Cb -0.16 -1.24 0.59 0.00 -1.38 0.00 0.00 42.92 40.73 1wrl s ASP 73 CO 0.05 -1.14 1.73 0.15 -0.00 0.00 0.00 175.17 175.96 1wrl h PHE 74 N -0.07 0.67 -0.69 2.11 3.57 -1.98 0.51 116.94 121.06 1wrl h PHE 74 Ca -0.44 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.12 1wrl h PHE 74 Cb 1.28 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.81 1wrl h PHE 74 CO 0.40 0.07 0.43 -0.44 -2.23 0.00 0.00 178.31 176.55 1wrl h ASP 75 N 0.51 0.72 0.78 0.41 3.32 -2.01 -0.96 116.42 119.19 1wrl h ASP 75 Ca 0.49 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.44 1wrl h ASP 75 Cb 0.80 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1wrl h ASP 75 CO -0.43 0.50 -0.46 -0.33 -1.72 0.00 0.00 179.24 176.80 1wrl h GLU 76 N 0.85 0.00 -0.59 3.56 5.08 -1.52 -3.08 114.58 118.89 1wrl h GLU 76 Ca 0.28 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.54 1wrl h GLU 76 Cb 0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1wrl h GLU 76 CO -0.11 0.46 -0.02 0.35 -1.00 0.00 0.00 179.01 178.69 1wrl h PHE 77 N 0.00 1.15 0.00 4.33 3.57 0.33 -0.85 116.94 125.46 1wrl h PHE 77 Ca -0.00 -0.21 -0.05 0.00 3.53 0.00 0.00 57.97 61.24 1wrl h PHE 77 Cb 0.97 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1wrl h PHE 77 CO 0.00 1.02 -0.24 -0.07 -2.23 0.00 0.00 178.31 176.80 1wrl h LEU 78 N 0.94 0.00 -0.12 0.59 3.38 -1.22 -0.42 115.31 118.46 1wrl h LEU 78 Ca 0.16 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 1wrl h LEU 78 Cb 0.58 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.33 1wrl h LEU 78 CO 0.03 0.24 -0.48 0.58 0.09 0.00 0.00 178.44 178.91 1wrl h VAL 79 N 0.00 1.36 -0.79 1.22 2.07 -1.41 -2.05 116.25 116.64 1wrl h VAL 79 Ca -0.00 -1.78 0.04 0.00 0.82 0.00 0.00 66.70 65.78 1wrl h VAL 79 Cb 0.46 2.12 -0.05 0.00 -1.52 0.00 0.00 31.29 32.30 1wrl h VAL 79 CO 0.03 0.54 0.50 -0.03 0.02 0.00 0.00 177.57 178.62 1wrl h MET 80 N 0.16 0.92 0.16 1.57 1.85 -0.44 1.28 114.93 120.43 1wrl h MET 80 Ca -0.02 -0.06 -0.01 0.00 -0.61 0.00 0.00 59.70 59.00 1wrl h MET 80 Cb 1.11 -0.21 0.00 0.00 0.43 0.00 0.00 31.60 32.93 1wrl h MET 80 CO 0.10 0.61 -0.08 0.52 -0.40 0.00 0.00 176.91 177.66 1wrl h MET 81 N 0.95 -0.21 -0.06 0.39 2.07 -1.06 -2.98 114.93 114.03 1wrl h MET 81 Ca 0.33 0.01 -0.01 0.00 -2.07 0.00 0.00 59.70 57.96 1wrl h MET 81 Cb 0.06 0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 29.84 1wrl h MET 81 CO -0.13 -0.00 0.01 0.28 1.07 0.00 0.00 176.91 178.14 1wrl h VAL 82 N -0.38 1.20 -0.85 -2.22 2.07 -0.94 -3.16 116.25 111.97 1wrl h VAL 82 Ca -0.02 -0.60 0.22 0.00 0.82 0.00 0.00 66.70 67.12 1wrl h VAL 82 Cb 0.30 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 1wrl h VAL 82 CO 0.04 0.17 0.59 -0.09 0.02 0.00 0.00 177.57 178.29 1wrl h ARG 83 N -0.14 0.16 -1.79 1.57 2.43 0.16 -2.53 114.38 114.24 1wrl h ARG 83 Ca 0.02 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1wrl h ARG 83 Cb 0.25 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1wrl h ARG 83 CO 0.00 0.11 0.00 -1.13 -1.51 0.00 0.00 179.97 177.44 1wrl n SER 84 N -4.38 3.28 -0.92 -3.80 3.41 -1.13 -5.08 113.62 105.01 1wrl n SER 84 Ca 0.18 -1.82 0.12 0.00 -0.26 0.00 0.00 58.87 57.08 1wrl n SER 84 Cb 0.81 -0.67 0.10 0.00 -0.26 0.00 0.00 64.21 64.19 1wrl n SER 84 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68