#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 1.27 0.00 2.12 6.09 -2.06 -3.10 117.51 121.83 1wrl h ILE 4 Ca 0.00 -1.58 -0.13 0.00 -1.37 0.00 0.00 64.86 61.79 1wrl h ILE 4 Cb 0.00 1.41 -0.02 0.00 0.47 0.00 0.00 36.82 38.68 1wrl h ILE 4 CO 0.00 0.53 -0.84 1.88 -3.07 0.00 0.00 178.15 176.65 1wrl h TYR 5 N 0.75 0.00 -0.01 2.19 0.05 -1.98 -3.21 116.97 114.76 1wrl h TYR 5 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.84 1wrl h TYR 5 Cb 1.00 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.74 1wrl h TYR 5 CO 0.06 0.52 0.02 -0.22 -1.05 0.00 0.00 178.16 177.49 1wrl h LYS 6 N 0.00 0.00 0.03 4.88 3.64 -1.97 -2.26 116.57 120.89 1wrl h LYS 6 Ca -0.06 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1wrl h LYS 6 Cb 1.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.27 1wrl h LYS 6 CO 0.06 0.00 -0.01 0.00 -2.27 0.00 0.00 179.45 177.22 1wrl h ALA 7 N 1.98 -0.04 0.00 5.00 0.00 -1.54 -3.09 119.26 121.56 1wrl h ALA 7 Ca 0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1wrl h ALA 7 Cb 0.04 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1wrl h ALA 7 CO -0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 179.25 179.01 1wrl h ALA 8 N 0.19 1.54 -0.01 0.00 0.00 -1.55 -0.98 119.26 118.44 1wrl h ALA 8 Ca -0.00 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 1wrl h ALA 8 Cb 0.66 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1wrl h ALA 8 CO 0.01 0.08 -0.76 0.28 0.00 0.00 0.00 179.25 178.86 1wrl h VAL 9 N 0.00 1.50 0.00 0.00 2.07 -1.52 -2.86 116.25 115.45 1wrl h VAL 9 Ca -0.00 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 65.04 1wrl h VAL 9 Cb 0.15 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1wrl h VAL 9 CO 0.01 0.72 0.00 -0.08 0.02 0.00 0.00 177.57 178.23 1wrl h GLU 10 N 0.05 0.00 0.00 1.57 4.57 -1.12 -2.99 114.58 116.66 1wrl h GLU 10 Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1wrl h GLU 10 Cb 1.34 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 1wrl h GLU 10 CO 0.11 0.00 -0.42 1.04 -1.18 0.00 0.00 179.01 178.56 1wrl n GLN 11 N -2.88 0.21 -2.33 1.92 1.13 -0.79 -4.86 117.38 109.78 1wrl n GLN 11 Ca 0.04 0.09 -0.41 0.00 -1.94 0.00 0.00 57.00 54.78 1wrl n GLN 11 Cb 0.47 -1.66 -0.03 0.00 0.11 0.00 0.00 30.24 29.12 1wrl n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1wrl s LEU 12 N -3.98 4.47 0.87 1.08 1.43 -1.10 -5.02 118.68 116.45 1wrl s LEU 12 Ca 0.09 2.36 -0.12 0.00 -1.03 0.00 0.00 54.13 55.43 1wrl s LEU 12 Cb 0.14 -3.62 0.12 0.00 0.03 0.00 0.00 46.19 42.86 1wrl s LEU 12 CO 0.67 -0.36 1.11 0.42 0.23 0.00 0.00 176.35 178.42 1wrl s THR 13 N -0.59 2.54 0.38 5.49 -4.23 -1.26 -4.85 115.64 113.11 1wrl s THR 13 Ca 0.50 0.18 0.14 0.00 -1.18 0.00 0.00 61.69 61.33 1wrl s THR 13 Cb -0.34 -2.85 0.12 0.00 1.34 0.00 0.00 72.50 70.77 1wrl s THR 13 CO 0.42 -0.23 1.86 -0.33 -0.54 0.00 0.00 174.62 175.79 1wrl h GLU 14 N -1.39 0.00 -0.22 3.99 4.39 -1.99 -1.81 114.58 117.54 1wrl h GLU 14 Ca -0.49 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.14 1wrl h GLU 14 Cb 1.30 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.94 1wrl h GLU 14 CO 0.59 0.33 -0.13 1.49 -1.16 0.00 0.00 179.01 180.13 1wrl h GLU 15 N 0.00 0.48 -0.77 2.33 4.81 -1.98 0.78 114.58 120.24 1wrl h GLU 15 Ca -0.00 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 1wrl h GLU 15 Cb 0.60 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 1wrl h GLU 15 CO 0.04 0.77 0.42 1.96 -0.73 0.00 0.00 179.01 181.47 1wrl h GLN 16 N 0.19 1.07 -0.13 1.92 4.20 -1.84 -0.13 115.11 120.38 1wrl h GLN 16 Ca 0.05 -0.12 -0.17 0.00 0.06 0.00 0.00 58.65 58.47 1wrl h GLN 16 Cb 0.64 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1wrl h GLN 16 CO 0.04 0.79 -0.62 0.87 -0.67 0.00 0.00 178.83 179.24 1wrl h LYS 17 N 1.08 0.47 -0.03 1.46 1.57 -1.21 -2.43 116.57 117.46 1wrl h LYS 17 Ca 0.27 -0.33 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 1wrl h LYS 17 Cb 0.03 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1wrl h LYS 17 CO -0.04 0.94 -0.40 -0.91 -0.57 0.00 0.00 179.45 178.47 1wrl h ASN 18 N 0.34 0.07 -0.26 0.86 2.35 -0.10 -0.66 115.58 118.19 1wrl h ASN 18 Ca -0.01 -0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.60 1wrl h ASN 18 Cb 1.17 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 39.52 1wrl h ASN 18 CO 0.11 0.47 -0.29 -0.33 -1.65 0.00 0.00 177.43 175.74 1wrl h GLU 19 N 0.06 0.65 0.00 0.81 5.08 -0.87 -2.39 114.58 117.91 1wrl h GLU 19 Ca 0.00 -0.36 -0.08 0.00 -1.00 0.00 0.00 59.36 57.93 1wrl h GLU 19 Cb 0.74 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1wrl h GLU 19 CO 0.05 0.97 -0.36 0.74 -1.00 0.00 0.00 179.01 179.41 1wrl h PHE 20 N 0.37 0.00 -0.33 4.33 0.04 -1.15 -2.39 116.94 117.82 1wrl h PHE 20 Ca 0.04 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.67 1wrl h PHE 20 Cb 0.86 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.00 1wrl h PHE 20 CO 0.08 0.36 -0.36 -0.22 -0.60 0.00 0.00 178.31 177.56 1wrl h LYS 21 N 0.00 0.75 -0.58 1.51 1.63 -1.00 0.30 116.57 119.19 1wrl h LYS 21 Ca -0.00 -0.37 -0.08 0.00 -0.85 0.00 0.00 60.65 59.34 1wrl h LYS 21 Cb 0.67 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.28 1wrl h LYS 21 CO 0.05 0.99 0.04 0.00 -3.45 0.00 0.00 179.45 177.09 1wrl h ALA 22 N 0.96 0.99 -0.16 5.00 0.00 -1.05 0.33 119.26 125.33 1wrl h ALA 22 Ca 0.06 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1wrl h ALA 22 Cb 0.91 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1wrl h ALA 22 CO 0.08 0.63 -0.27 0.00 0.00 0.00 0.00 179.25 179.69 1wrl h ALA 23 N 1.14 0.25 -0.52 0.00 0.00 -1.16 -2.98 119.26 115.99 1wrl h ALA 23 Ca 0.17 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1wrl h ALA 23 Cb 0.46 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1wrl h ALA 23 CO 0.02 0.25 0.28 0.35 0.00 0.00 0.00 179.25 180.15 1wrl h PHE 24 N 0.10 0.52 -0.41 0.00 3.57 -0.11 -2.23 116.94 118.38 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 0.85 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 1wrl h PHE 24 CO 0.09 0.27 0.28 -0.44 -2.23 0.00 0.00 178.31 176.28 1wrl h ASP 25 N 0.55 0.31 1.03 0.41 3.45 -0.31 -2.07 116.42 119.80 1wrl h ASP 25 Ca 0.22 -0.00 -0.20 0.00 0.43 0.00 0.00 57.03 57.48 1wrl h ASP 25 Cb 0.10 -0.07 -0.03 0.00 -0.56 0.00 0.00 39.33 38.78 1wrl h ASP 25 CO -0.14 0.21 -0.97 0.40 -1.57 0.00 0.00 179.24 177.17 1wrl h ILE 26 N 0.35 1.66 0.00 0.35 2.04 -1.26 -3.28 117.51 117.37 1wrl h ILE 26 Ca 0.18 -3.34 -0.06 0.00 1.00 0.00 0.00 64.86 62.63 1wrl h ILE 26 Cb 0.26 2.82 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 1wrl h ILE 26 CO -0.04 0.95 -0.28 -0.26 0.00 0.00 0.00 178.15 178.51 1wrl h PHE 27 N 0.00 0.00 -0.01 1.37 0.04 -0.91 -3.14 116.94 114.29 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 1.74 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.89 1wrl h PHE 27 CO 0.00 0.28 -0.18 1.33 -0.60 0.00 0.00 178.31 179.15 1wrl n VAL 28 N -3.32 0.00 -1.66 -0.55 0.24 -0.97 -4.78 118.33 107.28 1wrl n VAL 28 Ca 0.01 -0.17 -0.42 0.00 -2.04 0.00 0.00 64.34 61.72 1wrl n VAL 28 Cb 0.52 0.45 -0.03 0.00 -1.47 0.00 0.00 33.84 33.31 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 -0.37 4.16 0.00 1.34 4.77 -1.19 0.03 117.00 125.73 1wrl n LEU 29 Ca 0.14 0.90 0.00 0.00 -0.03 0.00 0.00 56.01 57.03 1wrl n LEU 29 Cb 0.35 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 39.92 1wrl n LEU 29 CO 0.23 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1wrl n GLY 30 N 4.55 2.22 3.71 -0.72 0.00 -1.26 -5.05 105.19 108.63 1wrl n GLY 30 Ca 0.20 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 1.39 0.09 4.61 0.00 0.10 -4.92 120.51 121.78 1wrl n ALA 31 Ca 0.00 0.33 -0.12 0.00 0.00 0.00 0.00 53.44 53.65 1wrl n ALA 31 Cb 0.00 -2.27 -0.08 0.00 0.00 0.00 0.00 19.45 17.10 1wrl n ALA 31 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1wrl h GLU 32 N 2.45 -0.26 -0.26 0.00 5.08 -1.88 -3.33 114.58 116.39 1wrl h GLU 32 Ca -0.47 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1wrl h GLU 32 Cb 1.28 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1wrl h GLU 32 CO 0.62 0.12 0.00 -0.40 -1.00 0.00 0.00 179.01 178.35 1wrl n ASP 33 N -5.00 2.38 -0.76 1.42 5.68 -1.26 -4.94 116.55 114.07 1wrl n ASP 33 Ca -0.09 -1.84 -0.05 0.00 -0.50 0.00 0.00 54.79 52.32 1wrl n ASP 33 Cb 0.26 -0.16 0.01 0.00 -1.14 0.00 0.00 41.12 40.08 1wrl n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wrl n GLY 34 N 1.28 0.38 3.04 6.12 0.00 -1.25 -5.05 105.19 109.70 1wrl n GLY 34 Ca 0.17 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.91 0.71 -0.10 1.61 0.01 -1.26 -4.87 113.70 106.89 1wrl s SER 35 Ca 0.05 -0.54 -0.29 0.00 1.31 0.00 0.00 55.95 56.48 1wrl s SER 35 Cb -0.02 0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.22 1wrl s SER 35 CO 0.06 -0.23 1.51 -0.63 0.41 0.00 0.00 173.24 174.37 1wrl s ILE 36 N -1.40 3.83 0.47 1.44 -1.09 0.70 -4.80 121.20 120.34 1wrl s ILE 36 Ca -0.11 1.01 0.07 0.00 -2.23 0.00 0.00 60.65 59.38 1wrl s ILE 36 Cb -0.10 -3.66 -0.01 0.00 -1.58 0.00 0.00 42.46 37.12 1wrl s ILE 36 CO 0.00 -0.10 0.34 -0.94 -1.23 0.00 0.00 174.94 173.02 1wrl s SER 37 N 2.88 4.74 0.48 3.58 1.04 -1.26 -0.49 113.70 124.66 1wrl s SER 37 Ca 0.67 -1.02 0.21 0.00 0.48 0.00 0.00 55.95 56.29 1wrl s SER 37 Cb -0.29 -0.17 1.24 0.00 0.10 0.00 0.00 66.02 66.91 1wrl s SER 37 CO 0.24 -0.80 1.96 0.71 0.98 0.00 0.00 173.24 176.33 1wrl h THR 38 N 1.01 0.76 0.74 2.02 1.35 -1.91 -1.20 112.91 115.69 1wrl h THR 38 Ca -0.40 -0.06 -0.04 0.00 -0.55 0.00 0.00 66.41 65.36 1wrl h THR 38 Cb 1.28 0.56 0.01 0.00 -1.73 0.00 0.00 68.15 68.26 1wrl h THR 38 CO 0.60 0.03 -0.35 0.50 -0.25 0.00 0.00 175.52 176.05 1wrl h LYS 39 N 0.19 -0.95 -0.26 4.72 3.64 -1.99 -0.17 116.57 121.74 1wrl h LYS 39 Ca 0.30 0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.76 1wrl h LYS 39 Cb 0.94 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1wrl h LYS 39 CO -0.05 -0.62 0.14 0.93 -2.27 0.00 0.00 179.45 177.57 1wrl h GLU 40 N -1.04 0.28 -0.66 1.90 3.07 -1.65 -2.09 114.58 114.39 1wrl h GLU 40 Ca -0.10 -0.02 0.06 0.00 -0.50 0.00 0.00 59.36 58.80 1wrl h GLU 40 Cb 0.77 -0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.56 1wrl h GLU 40 CO 0.17 0.19 0.35 1.25 -1.40 0.00 0.00 179.01 179.57 1wrl h LEU 41 N 0.29 0.51 -1.49 1.33 5.85 -1.23 -1.38 115.31 119.19 1wrl h LEU 41 Ca 0.10 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1wrl h LEU 41 Cb 0.02 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1wrl h LEU 41 CO -0.06 0.33 0.10 1.23 -0.34 0.00 0.00 178.44 179.70 1wrl h GLY 42 N 0.65 0.47 0.98 3.75 0.00 -0.62 -1.48 103.07 106.82 1wrl h GLY 42 Ca 0.30 -0.22 -0.13 0.00 0.00 0.00 0.00 47.33 47.27 1wrl h GLY 42 CO -0.19 0.21 -0.37 0.50 0.00 0.00 0.00 176.54 176.69 1wrl h LYS 43 N 0.44 0.70 0.17 4.80 1.57 -0.61 -1.30 116.57 122.34 1wrl h LYS 43 Ca 0.11 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 1wrl h LYS 43 Cb 0.13 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1wrl h LYS 43 CO -0.01 1.03 -0.08 0.28 -0.57 0.00 0.00 179.45 180.10 1wrl h VAL 44 N 0.43 0.92 -0.40 0.50 2.07 -1.03 0.03 116.25 118.76 1wrl h VAL 44 Ca 0.03 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.20 1wrl h VAL 44 Cb 0.96 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 1wrl h VAL 44 CO 0.09 0.09 0.18 0.24 0.02 0.00 0.00 177.57 178.18 1wrl h MET 45 N -0.41 0.35 -0.40 1.57 2.86 -1.31 -1.38 114.93 116.22 1wrl h MET 45 Ca -0.02 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 1wrl h MET 45 Cb 0.32 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1wrl h MET 45 CO 0.04 0.23 -0.08 0.00 1.06 0.00 0.00 176.91 178.16 1wrl h ARG 46 N 0.36 0.68 -0.01 1.72 3.08 -1.21 0.84 114.38 119.85 1wrl h ARG 46 Ca 0.18 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1wrl h ARG 46 Cb 0.12 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1wrl h ARG 46 CO -0.15 0.75 0.02 1.98 -1.07 0.00 0.00 179.97 181.50 1wrl h MET 47 N 0.63 0.00 -0.79 0.04 4.05 -0.20 0.22 114.93 118.88 1wrl h MET 47 Ca 0.11 0.00 -0.34 0.00 -0.28 0.00 0.00 59.70 59.19 1wrl h MET 47 Cb 0.51 0.00 -0.21 0.00 -0.80 0.00 0.00 31.60 31.11 1wrl h MET 47 CO 0.03 0.00 0.39 1.28 0.23 0.00 0.00 176.91 178.84 1wrl n LEU 48 N -3.89 6.05 -0.62 3.39 4.77 0.13 -4.93 117.00 121.89 1wrl n LEU 48 Ca -0.03 -3.48 -0.08 0.00 -0.03 0.00 0.00 56.01 52.40 1wrl n LEU 48 Cb 0.10 -0.77 -0.03 0.00 -2.33 0.00 0.00 43.42 40.39 1wrl n LEU 48 CO 0.28 0.98 -0.08 0.61 -1.33 0.00 0.00 177.39 177.85 1wrl n GLY 49 N -0.77 0.95 3.97 -0.72 0.00 0.77 -5.01 105.19 104.38 1wrl n GLY 49 Ca 0.48 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.40 3.23 -0.43 1.61 -1.52 -0.24 -4.96 119.66 114.94 1wrl s GLN 50 Ca 0.00 -0.78 0.08 0.00 -1.95 0.00 0.00 55.36 52.70 1wrl s GLN 50 Cb 0.00 -2.78 0.25 0.00 -0.22 0.00 0.00 33.01 30.26 1wrl s GLN 50 CO 0.00 0.11 0.55 0.09 -0.25 0.00 0.00 175.29 175.79 1wrl n ASN 51 N -1.67 0.77 -4.83 5.90 3.02 -1.26 -3.71 115.26 113.48 1wrl n ASN 51 Ca -0.03 -2.81 -0.31 0.00 -0.03 0.00 0.00 54.58 51.40 1wrl n ASN 51 Cb 0.58 -0.64 0.03 0.00 -0.61 0.00 0.00 39.78 39.13 1wrl n ASN 51 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1wrl s PRO 52 N -1.36 3.20 0.31 3.52 0.04 -1.26 -5.08 135.00 134.36 1wrl s PRO 52 Ca 0.36 0.97 0.05 0.00 0.04 0.00 0.00 61.00 62.42 1wrl s PRO 52 Cb 0.16 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 1wrl s PRO 52 CO -0.10 -0.89 0.44 0.95 0.04 0.00 0.00 177.00 177.44 1wrl s THR 53 N -2.92 4.57 0.25 1.26 -4.23 -1.26 -4.96 115.64 108.36 1wrl s THR 53 Ca 0.59 -0.94 -0.03 0.00 -1.18 0.00 0.00 61.69 60.13 1wrl s THR 53 Cb -0.14 -3.61 0.23 0.00 1.34 0.00 0.00 72.50 70.32 1wrl s THR 53 CO 0.50 -0.25 1.80 -0.65 -0.54 0.00 0.00 174.62 175.47 1wrl h PRO 54 N 0.96 0.73 -0.69 3.99 0.11 -1.99 -1.28 132.00 133.84 1wrl h PRO 54 Ca -0.48 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 1wrl h PRO 54 Cb 1.24 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1wrl h PRO 54 CO 0.57 0.49 0.36 0.93 -0.21 0.00 0.00 178.00 180.13 1wrl h GLU 55 N 0.76 0.97 -0.35 1.05 3.07 -1.99 -1.20 114.58 116.89 1wrl h GLU 55 Ca 0.43 -0.13 -0.09 0.00 -0.50 0.00 0.00 59.36 59.06 1wrl h GLU 55 Cb 0.46 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.17 1wrl h GLU 55 CO -0.28 0.75 -0.18 0.93 -1.40 0.00 0.00 179.01 178.83 1wrl h GLU 56 N 0.95 0.65 -0.42 2.33 5.08 -1.76 -2.00 114.58 119.41 1wrl h GLU 56 Ca 0.24 -0.23 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 1wrl h GLU 56 Cb 0.08 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1wrl h GLU 56 CO -0.03 0.79 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.47 1wrl h LEU 57 N 0.58 0.87 -1.21 1.33 3.38 -0.88 -1.67 115.31 117.72 1wrl h LEU 57 Ca 0.09 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 1wrl h LEU 57 Cb 0.63 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1wrl h LEU 57 CO 0.04 1.06 -0.34 1.56 0.09 0.00 0.00 178.44 180.86 1wrl h GLN 58 N 0.74 0.00 0.24 1.13 4.20 -1.01 -2.42 115.11 118.00 1wrl h GLN 58 Ca 0.10 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1wrl h GLN 58 Cb 0.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 1wrl h GLN 58 CO 0.06 0.34 -0.12 1.49 -0.67 0.00 0.00 178.83 179.93 1wrl h GLU 59 N 0.00 -0.31 -0.82 1.46 4.81 -0.92 -0.63 114.58 118.16 1wrl h GLU 59 Ca -0.00 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.38 1wrl h GLU 59 Cb 0.73 0.07 -0.09 0.00 0.63 0.00 0.00 28.75 30.09 1wrl h GLU 59 CO 0.04 0.05 0.42 0.52 -0.73 0.00 0.00 179.01 179.31 1wrl h MET 60 N -0.80 0.60 -0.25 1.92 2.86 -1.20 -1.76 114.93 116.30 1wrl h MET 60 Ca -0.03 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.45 1wrl h MET 60 Cb 0.51 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 1wrl h MET 60 CO 0.05 0.40 -0.32 0.82 1.06 0.00 0.00 176.91 178.93 1wrl h ILE 61 N 0.62 1.31 -0.50 -1.22 2.04 -1.44 -3.22 117.51 115.10 1wrl h ILE 61 Ca 0.44 -1.50 0.01 0.00 1.00 0.00 0.00 64.86 64.81 1wrl h ILE 61 Cb 0.59 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 1wrl h ILE 61 CO -0.34 0.47 0.33 -0.78 0.00 0.00 0.00 178.15 177.83 1wrl h ASP 62 N 0.37 0.55 0.00 1.72 1.82 -0.31 -0.79 116.42 119.78 1wrl h ASP 62 Ca 0.03 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1wrl h ASP 62 Cb 0.89 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.77 1wrl h ASP 62 CO 0.07 0.39 0.03 -0.33 -1.61 0.00 0.00 179.24 177.80 1wrl h GLU 63 N 0.64 0.00 0.00 0.28 5.08 -1.36 -2.86 114.58 116.37 1wrl h GLU 63 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1wrl h GLU 63 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1wrl h GLU 63 CO -0.04 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 179.30 1wrl n VAL 64 N -2.43 0.11 -1.71 3.13 0.24 -0.79 -4.95 118.33 111.93 1wrl n VAL 64 Ca -0.02 -0.19 -0.41 0.00 -2.04 0.00 0.00 64.34 61.68 1wrl n VAL 64 Cb 0.07 1.36 -0.02 0.00 -1.47 0.00 0.00 33.84 33.78 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 -0.06 3.53 0.05 -1.34 4.64 -0.37 -4.76 116.55 118.25 1wrl n ASP 65 Ca 0.00 -2.79 0.09 0.00 -1.38 0.00 0.00 54.79 50.71 1wrl n ASP 65 Cb 0.29 -1.51 0.37 0.00 -1.04 0.00 0.00 41.12 39.23 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 6.95 0.07 -0.12 -0.67 -0.58 -1.26 -2.34 120.64 122.70 1wrl n GLU 66 Ca 0.50 0.33 0.06 0.00 -0.42 0.00 0.00 57.16 57.63 1wrl n GLU 66 Cb 0.41 -1.65 0.12 0.00 -0.57 0.00 0.00 31.44 29.75 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 -1.79 2.59 -2.79 1.62 5.75 -1.26 -4.98 116.55 115.69 1wrl n ASP 67 Ca 0.03 -1.81 -0.21 0.00 -0.01 0.00 0.00 54.79 52.79 1wrl n ASP 67 Cb 0.18 -0.15 0.01 0.00 -1.03 0.00 0.00 41.12 40.13 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 0.57 -0.51 0.03 6.12 0.00 -0.99 -4.87 105.19 105.54 1wrl n GLY 68 Ca 0.10 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.23 0.47 -0.65 1.61 3.41 -1.26 -4.92 113.62 110.04 1wrl n SER 69 Ca -0.15 -0.21 -0.08 0.00 -0.26 0.00 0.00 58.87 58.17 1wrl n SER 69 Cb 0.63 0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.64 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 1.01 3.16 5.00 0.00 -1.26 -4.98 105.19 109.59 1wrl n GLY 70 Ca 0.07 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.22 0.15 -0.21 2.61 -4.23 -1.26 -4.69 115.64 105.79 1wrl s THR 71 Ca 0.00 -1.20 -0.07 0.00 -1.18 0.00 0.00 61.69 59.24 1wrl s THR 71 Cb 0.00 -1.17 -0.03 0.00 1.34 0.00 0.00 72.50 72.64 1wrl s THR 71 CO 0.00 -0.66 0.05 -0.69 -0.54 0.00 0.00 174.62 172.77 1wrl s VAL 72 N -3.29 4.41 0.48 2.29 1.01 0.35 -4.83 120.40 120.81 1wrl s VAL 72 Ca 0.01 -0.16 0.08 0.00 0.00 0.00 0.00 61.98 61.91 1wrl s VAL 72 Cb 0.03 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 33.43 1wrl s VAL 72 CO -0.08 0.41 0.62 1.51 0.00 0.00 0.00 175.10 177.57 1wrl s ASP 73 N 0.92 5.38 0.30 3.32 3.84 -1.26 -0.22 116.67 128.96 1wrl s ASP 73 Ca 0.03 -0.62 0.04 0.00 -0.00 0.00 0.00 52.55 52.00 1wrl s ASP 73 Cb -0.14 -0.28 0.65 0.00 -1.38 0.00 0.00 42.92 41.76 1wrl s ASP 73 CO 0.02 -0.96 1.84 0.15 -0.00 0.00 0.00 175.17 176.22 1wrl h PHE 74 N 0.52 1.05 -0.08 2.11 3.57 -1.98 0.22 116.94 122.35 1wrl h PHE 74 Ca -0.36 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.16 1wrl h PHE 74 Cb 1.28 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 1wrl h PHE 74 CO 0.44 0.39 0.04 -0.44 -2.23 0.00 0.00 178.31 176.51 1wrl h ASP 75 N 0.89 0.11 0.41 0.41 3.45 -2.00 -1.15 116.42 118.54 1wrl h ASP 75 Ca 0.50 -0.11 -0.04 0.00 0.43 0.00 0.00 57.03 57.80 1wrl h ASP 75 Cb 0.60 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.34 1wrl h ASP 75 CO -0.26 0.19 -0.21 -0.33 -1.57 0.00 0.00 179.24 177.05 1wrl h GLU 76 N 0.01 0.00 -0.37 3.56 5.08 -1.73 -2.60 114.58 118.53 1wrl h GLU 76 Ca 0.03 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.23 1wrl h GLU 76 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1wrl h GLU 76 CO -0.00 0.21 -0.39 0.35 -1.00 0.00 0.00 179.01 178.17 1wrl h PHE 77 N 0.00 1.11 -0.06 4.33 3.57 -0.43 -1.64 116.94 123.82 1wrl h PHE 77 Ca -0.00 -0.34 -0.05 0.00 3.53 0.00 0.00 57.97 61.11 1wrl h PHE 77 Cb 0.48 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1wrl h PHE 77 CO 0.00 1.17 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.99 1wrl h LEU 78 N 0.74 0.09 -0.40 0.59 3.38 -0.84 -1.58 115.31 117.29 1wrl h LEU 78 Ca 0.06 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 1wrl h LEU 78 Cb 0.99 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 1wrl h LEU 78 CO 0.10 0.29 -0.67 0.58 0.09 0.00 0.00 178.44 178.83 1wrl h VAL 79 N 0.09 1.34 -0.66 1.22 2.07 -1.30 -2.52 116.25 116.49 1wrl h VAL 79 Ca 0.02 -1.97 -0.02 0.00 0.82 0.00 0.00 66.70 65.55 1wrl h VAL 79 Cb 0.39 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 1wrl h VAL 79 CO 0.03 0.61 0.35 -0.03 0.02 0.00 0.00 177.57 178.55 1wrl h MET 80 N 0.39 0.93 0.66 1.57 -1.53 -0.37 -0.69 114.93 115.89 1wrl h MET 80 Ca -0.02 -0.11 -0.03 0.00 -3.44 0.00 0.00 59.70 56.09 1wrl h MET 80 Cb 1.24 -0.18 0.01 0.00 -0.55 0.00 0.00 31.60 32.12 1wrl h MET 80 CO 0.12 0.71 -0.32 0.52 0.14 0.00 0.00 176.91 178.08 1wrl h MET 81 N 0.90 -0.86 -0.59 0.39 2.07 -1.31 -2.80 114.93 112.74 1wrl h MET 81 Ca 0.23 0.06 0.17 0.00 -2.07 0.00 0.00 59.70 58.09 1wrl h MET 81 Cb 0.06 0.20 -0.02 0.00 -1.87 0.00 0.00 31.60 29.96 1wrl h MET 81 CO -0.04 -0.54 0.47 0.28 1.07 0.00 0.00 176.91 178.15 1wrl h VAL 82 N -1.02 0.58 -0.14 -2.22 2.07 -1.29 -1.55 116.25 112.68 1wrl h VAL 82 Ca -0.09 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.31 1wrl h VAL 82 Cb 0.72 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1wrl h VAL 82 CO 0.15 0.00 -0.45 0.03 0.02 0.00 0.00 177.57 177.32 1wrl h ARG 83 N 0.00 0.33 -0.05 1.57 3.08 -0.86 -3.33 114.38 115.12 1wrl h ARG 83 Ca 0.28 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1wrl h ARG 83 Cb 1.21 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 1wrl h ARG 83 CO -0.00 0.72 -0.03 0.43 -1.07 0.00 0.00 179.97 180.01 1wrl n SER 84 N -4.00 -0.05 -0.36 7.04 7.64 -0.58 -5.11 113.62 118.19 1wrl n SER 84 Ca -0.02 0.20 0.14 0.00 1.01 0.00 0.00 58.87 60.21 1wrl n SER 84 Cb 0.52 -0.07 0.63 0.00 -1.01 0.00 0.00 64.21 64.28 1wrl n SER 84 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26