#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwo s ASP 2 N 0.00 7.21 0.55 9.51 -1.08 -1.26 -4.80 116.67 126.80 1bwo s ASP 2 Ca 0.00 1.60 0.24 0.00 -0.52 0.00 0.00 52.55 53.87 1bwo s ASP 2 Cb 0.00 -2.56 1.57 0.00 -1.46 0.00 0.00 42.92 40.48 1bwo s ASP 2 CO 0.00 -0.46 2.19 0.00 0.52 0.00 0.00 175.17 177.42 1bwo h GLY 4 N 0.12 0.78 0.83 0.00 0.00 -1.99 -1.09 103.07 101.72 1bwo h GLY 4 Ca -0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 47.33 46.57 1bwo h GLY 4 CO 0.00 0.66 0.02 0.84 0.00 0.00 0.00 176.54 178.07 1bwo h HIS 5 N 0.49 0.36 -0.26 5.60 6.17 -1.75 -2.09 115.15 123.66 1bwo h HIS 5 Ca 0.07 -0.05 0.05 0.00 0.71 0.00 0.00 60.37 61.15 1bwo h HIS 5 Cb 0.75 -0.10 -0.05 0.00 2.52 0.00 0.00 27.41 30.53 1bwo h HIS 5 CO 0.06 0.50 -0.07 0.28 0.71 0.00 0.00 177.93 179.41 1bwo h VAL 6 N 0.11 0.73 -0.73 5.26 2.07 -1.25 -1.70 116.25 120.74 1bwo h VAL 6 Ca 0.06 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.69 1bwo h VAL 6 Cb 0.34 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 30.76 1bwo h VAL 6 CO 0.01 0.00 0.33 -0.78 0.02 0.00 0.00 177.57 177.15 1bwo h ASP 7 N -0.00 0.38 -0.33 0.57 3.58 -1.04 -1.56 116.42 118.01 1bwo h ASP 7 Ca 0.13 0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.61 1bwo h ASP 7 Cb 0.20 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 1bwo h ASP 7 CO -0.27 0.19 0.03 0.28 -2.88 0.00 0.00 179.24 176.59 1bwo h SER 8 N 0.53 0.62 -0.55 2.28 0.02 -0.63 -0.70 113.55 115.12 1bwo h SER 8 Ca 0.38 -0.12 -0.11 0.00 -0.84 0.00 0.00 61.79 61.10 1bwo h SER 8 Cb 0.50 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1bwo h SER 8 CO -0.33 0.67 -0.09 -0.07 -1.14 0.00 0.00 176.83 175.86 1bwo h LEU 9 N 0.63 1.03 -1.22 5.07 3.38 -0.52 -3.29 115.31 120.39 1bwo h LEU 9 Ca 0.13 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1bwo h LEU 9 Cb 0.35 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1bwo h LEU 9 CO 0.01 1.13 -0.35 1.33 0.09 0.00 0.00 178.44 180.66 1bwo n VAL 10 N -4.16 0.00 -0.32 1.22 0.24 -1.00 -4.12 118.33 110.18 1bwo n VAL 10 Ca 0.01 -0.32 0.16 0.00 -2.04 0.00 0.00 64.34 62.16 1bwo n VAL 10 Cb 0.40 1.29 0.36 0.00 -1.47 0.00 0.00 33.84 34.41 1bwo n VAL 10 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1bwo h ARG 11 N 2.98 0.38 0.00 7.34 2.43 -1.19 0.51 114.38 126.82 1bwo h ARG 11 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1bwo h ARG 11 Cb 0.81 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1bwo h ARG 11 CO 0.00 0.25 0.00 -2.30 -1.51 0.00 0.00 179.97 176.41 1bwo n PRO 12 N -5.05 0.08 0.00 0.20 -0.02 -1.26 -2.11 135.00 126.85 1bwo n PRO 12 Ca 0.25 0.57 0.13 0.00 -2.02 0.00 0.00 63.50 62.43 1bwo n PRO 12 Cb 0.75 -1.76 0.42 0.00 -0.02 0.00 0.00 33.50 32.90 1bwo n PRO 12 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bwo h LEU 14 N 0.11 -0.98 -1.20 0.00 5.85 -1.57 -1.19 115.31 116.33 1bwo h LEU 14 Ca 0.00 0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.97 1bwo h LEU 14 Cb 0.48 0.45 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 1bwo h LEU 14 CO 0.00 -0.32 0.57 0.77 -0.34 0.00 0.00 178.44 179.12 1bwo h SER 15 N -0.29 0.82 -0.12 1.25 4.64 -1.84 -2.08 113.55 115.93 1bwo h SER 15 Ca 0.14 0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.39 1bwo h SER 15 Cb 0.52 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1bwo h SER 15 CO -0.45 0.50 -0.26 0.22 -0.87 0.00 0.00 176.83 175.97 1bwo h TYR 16 N 0.91 0.49 0.00 4.77 3.20 -1.65 -0.98 116.97 123.72 1bwo h TYR 16 Ca 0.40 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1bwo h TYR 16 Cb 0.33 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.51 1bwo h TYR 16 CO -0.00 0.88 0.00 1.33 -1.64 0.00 0.00 178.16 178.73 1bwo n VAL 17 N -4.45 1.23 -0.47 1.81 0.24 -0.50 -1.48 118.33 114.71 1bwo n VAL 17 Ca -0.07 0.32 0.11 0.00 -2.04 0.00 0.00 64.34 62.66 1bwo n VAL 17 Cb 0.45 -1.14 0.34 0.00 -1.47 0.00 0.00 33.84 32.02 1bwo n VAL 17 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bwo n GLN 18 N -1.55 3.11 0.00 7.34 6.02 -0.82 0.66 117.38 132.14 1bwo n GLN 18 Ca 0.03 -2.77 0.00 0.00 -0.01 0.00 0.00 57.00 54.25 1bwo n GLN 18 Cb 0.13 -1.70 0.00 0.00 1.02 0.00 0.00 30.24 29.69 1bwo n GLN 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bwo n GLY 19 N 1.51 0.55 3.95 1.08 0.00 -0.55 -4.87 105.19 106.86 1bwo n GLY 19 Ca 0.25 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.00 1bwo n GLY 19 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bwo s GLY 20 N -0.90 1.75 0.60 -0.02 0.00 -0.38 -5.01 107.32 103.36 1bwo s GLY 20 Ca 0.00 -1.32 -0.17 0.00 0.00 0.00 0.00 44.72 43.22 1bwo s GLY 20 CO 0.00 -0.68 1.12 2.56 0.00 0.00 0.00 173.10 176.10 1bwo s PRO 21 N -5.54 3.09 0.00 2.90 0.04 -1.26 -4.50 135.00 129.73 1bwo s PRO 21 Ca 0.69 1.51 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1bwo s PRO 21 Cb -0.05 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1bwo s PRO 21 CO 0.49 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.90 1bwo n GLY 22 N -0.15 0.17 3.77 0.56 0.00 -1.26 -4.48 105.19 103.80 1bwo n GLY 22 Ca 0.11 -1.46 -0.39 0.00 0.00 0.00 0.00 46.02 44.28 1bwo n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bwo s PRO 23 N -2.00 4.41 0.82 1.61 0.04 -1.26 -5.11 135.00 133.51 1bwo s PRO 23 Ca 0.00 1.74 -0.11 0.00 0.04 0.00 0.00 61.00 62.67 1bwo s PRO 23 Cb 0.00 -2.92 0.08 0.00 0.04 0.00 0.00 34.50 31.70 1bwo s PRO 23 CO 0.00 0.02 1.09 -1.54 0.04 0.00 0.00 177.00 176.61 1bwo s SER 24 N -1.10 4.23 0.37 6.66 1.04 -1.26 -4.85 113.70 118.79 1bwo s SER 24 Ca 0.50 1.49 0.05 0.00 0.48 0.00 0.00 55.95 58.47 1bwo s SER 24 Cb -0.29 -2.21 0.71 0.00 0.10 0.00 0.00 66.02 64.33 1bwo s SER 24 CO 0.37 -2.16 1.98 1.23 0.98 0.00 0.00 173.24 175.64 1bwo h GLY 25 N -1.22 0.66 1.40 7.32 0.00 -1.99 -2.02 103.07 107.22 1bwo h GLY 25 Ca -0.47 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 46.50 1bwo h GLY 25 CO 0.56 0.28 -0.01 1.46 0.00 0.00 0.00 176.54 178.83 1bwo h GLN 26 N 0.62 0.73 0.13 4.80 7.50 -1.94 -0.23 115.11 126.72 1bwo h GLN 26 Ca 0.16 -0.19 -0.01 0.00 0.50 0.00 0.00 58.65 59.11 1bwo h GLN 26 Cb 0.06 -0.09 0.00 0.00 0.05 0.00 0.00 27.48 27.51 1bwo h GLN 26 CO -0.02 0.75 -0.06 0.00 -1.50 0.00 0.00 178.83 178.00 1bwo h ASP 29 N 1.00 0.77 -0.69 0.00 3.32 -1.02 0.67 116.42 120.47 1bwo h ASP 29 Ca 0.37 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 1bwo h ASP 29 Cb 0.14 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1bwo h ASP 29 CO -0.16 0.70 0.41 1.23 -1.72 0.00 0.00 179.24 179.70 1bwo h GLY 30 N 0.79 1.00 1.18 2.75 0.00 -0.93 0.23 103.07 108.09 1bwo h GLY 30 Ca 0.20 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 47.02 1bwo h GLY 30 CO -0.02 0.41 0.02 -2.08 0.00 0.00 0.00 176.54 174.86 1bwo h VAL 31 N 0.94 1.26 -0.49 4.60 2.07 -0.89 -0.24 116.25 123.50 1bwo h VAL 31 Ca 0.25 -1.09 -0.13 0.00 0.82 0.00 0.00 66.70 66.54 1bwo h VAL 31 Cb -0.02 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1bwo h VAL 31 CO -0.05 0.40 -0.21 0.11 0.02 0.00 0.00 177.57 177.84 1bwo h LYS 32 N 0.92 1.01 -0.66 1.57 1.57 -0.33 -0.85 116.57 119.80 1bwo h LYS 32 Ca 0.17 -0.43 -0.06 0.00 -1.87 0.00 0.00 60.65 58.46 1bwo h LYS 32 Cb 0.51 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1bwo h LYS 32 CO 0.02 1.11 0.18 -0.91 -0.57 0.00 0.00 179.45 179.28 1bwo h ASN 33 N 0.87 0.98 -0.55 0.86 2.35 -0.29 -0.40 115.58 119.40 1bwo h ASN 33 Ca 0.11 -0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 55.60 1bwo h ASN 33 Cb 0.79 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 1bwo h ASN 33 CO 0.07 0.95 0.18 0.25 -1.65 0.00 0.00 177.43 177.22 1bwo h LEU 34 N 0.96 0.79 -1.34 1.61 5.85 -0.84 -1.11 115.31 121.25 1bwo h LEU 34 Ca 0.21 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1bwo h LEU 34 Cb 0.34 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1bwo h LEU 34 CO -0.00 0.78 0.29 -0.74 -0.34 0.00 0.00 178.44 178.42 1bwo h HIS 35 N 0.76 0.72 0.00 1.25 2.76 -0.82 0.63 115.15 120.46 1bwo h HIS 35 Ca 0.18 -0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.22 1bwo h HIS 35 Cb 0.26 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 1bwo h HIS 35 CO 0.01 0.51 -0.56 -0.91 -1.30 0.00 0.00 177.93 175.68 1bwo h ASN 36 N 0.75 0.00 0.15 3.26 -0.26 -0.59 -3.36 115.58 115.53 1bwo h ASN 36 Ca 0.19 0.00 -0.36 0.00 -0.56 0.00 0.00 56.30 55.57 1bwo h ASN 36 Cb 0.03 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.26 1bwo h ASN 36 CO -0.03 0.56 -2.06 0.00 -1.06 0.00 0.00 177.43 174.84 1bwo n GLN 37 N -3.46 0.72 -2.70 0.81 6.02 -0.46 -4.65 117.38 113.65 1bwo n GLN 37 Ca 0.00 0.23 -0.43 0.00 -0.01 0.00 0.00 57.00 56.79 1bwo n GLN 37 Cb 0.67 -1.68 -0.00 0.00 1.02 0.00 0.00 30.24 30.25 1bwo n GLN 37 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bwo s ALA 38 N -2.55 3.50 -0.26 -1.58 0.00 0.16 -4.73 121.76 116.30 1bwo s ALA 38 Ca -0.21 -3.02 -0.08 0.00 0.00 0.00 0.00 51.96 48.65 1bwo s ALA 38 Cb 0.07 -4.46 -0.15 0.00 0.00 0.00 0.00 23.12 18.58 1bwo s ALA 38 CO 0.75 -3.14 -0.27 0.54 0.00 0.00 0.00 175.76 173.64 1bwo n ARG 39 N 7.51 0.62 -1.64 0.00 1.74 -1.26 -4.46 116.66 119.17 1bwo n ARG 39 Ca 0.44 0.23 -0.31 0.00 -0.77 0.00 0.00 57.85 57.43 1bwo n ARG 39 Cb 0.45 -1.52 0.05 0.00 -1.02 0.00 0.00 32.46 30.42 1bwo n ARG 39 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1bwo s SER 40 N -7.07 5.31 0.25 0.55 1.04 -1.26 -4.81 113.70 107.70 1bwo s SER 40 Ca -0.37 1.72 -0.03 0.00 0.48 0.00 0.00 55.95 57.75 1bwo s SER 40 Cb 0.12 -2.51 0.44 0.00 0.10 0.00 0.00 66.02 64.17 1bwo s SER 40 CO 0.55 -1.49 1.78 -0.61 0.98 0.00 0.00 173.24 174.45 1bwo h GLN 41 N -0.48 0.65 -0.80 4.02 -0.00 -1.98 -1.03 115.11 115.48 1bwo h GLN 41 Ca -0.45 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.65 58.16 1bwo h GLN 41 Cb 1.22 -0.15 -0.04 0.00 0.00 0.00 0.00 27.48 28.51 1bwo h GLN 41 CO 0.56 0.43 0.48 0.66 0.00 0.00 0.00 178.83 180.96 1bwo h SER 42 N 0.67 0.96 -0.05 -0.69 4.64 -1.99 -0.15 113.55 116.94 1bwo h SER 42 Ca 0.42 -0.06 -0.15 0.00 -0.47 0.00 0.00 61.79 61.52 1bwo h SER 42 Cb 0.50 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1bwo h SER 42 CO -0.31 0.74 -0.47 0.44 -0.87 0.00 0.00 176.83 176.36 1bwo h ASP 43 N 1.10 0.65 -0.29 4.97 3.32 -1.69 0.21 116.42 124.68 1bwo h ASP 43 Ca 0.29 -0.32 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 1bwo h ASP 43 Cb -0.04 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1bwo h ASP 43 CO -0.05 1.02 -0.05 0.03 -1.72 0.00 0.00 179.24 178.47 1bwo h ARG 44 N 0.48 0.55 -0.56 3.56 3.08 -0.91 0.24 114.38 120.82 1bwo h ARG 44 Ca 0.03 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.79 1bwo h ARG 44 Cb 1.01 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 1bwo h ARG 44 CO 0.09 0.74 0.02 0.37 -1.07 0.00 0.00 179.97 180.12 1bwo h GLN 45 N 0.32 0.97 -0.09 0.04 4.15 -0.92 0.46 115.11 120.04 1bwo h GLN 45 Ca 0.08 -0.30 -0.01 0.00 0.77 0.00 0.00 58.65 59.19 1bwo h GLN 45 Cb 0.52 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.11 1bwo h GLN 45 CO 0.03 0.96 0.03 1.03 -1.93 0.00 0.00 178.83 178.95 1bwo h SER 46 N 0.86 0.12 -0.51 -0.69 0.87 -0.45 -1.36 113.55 112.40 1bwo h SER 46 Ca 0.16 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 1bwo h SER 46 Cb 0.51 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 1bwo h SER 46 CO 0.02 0.27 0.22 0.00 -0.53 0.00 0.00 176.83 176.81 1bwo h ALA 47 N 0.86 1.35 0.02 6.23 0.00 -0.37 -1.45 119.26 125.90 1bwo h ALA 47 Ca 0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1bwo h ALA 47 Cb 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1bwo h ALA 47 CO -0.00 0.49 -0.01 0.00 0.00 0.00 0.00 179.25 179.73 1bwo h ASN 49 N -0.23 0.95 0.35 0.00 -0.26 -0.95 -1.30 115.58 114.13 1bwo h ASN 49 Ca -0.00 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.71 1bwo h ASN 49 Cb 0.22 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1bwo h ASN 49 CO 0.00 0.66 -0.17 0.00 -1.06 0.00 0.00 177.43 176.87 1bwo h LEU 51 N -0.62 0.72 -0.70 0.00 3.38 -0.95 0.45 115.31 117.60 1bwo h LEU 51 Ca -0.05 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 1bwo h LEU 51 Cb 0.45 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1bwo h LEU 51 CO 0.08 0.52 -0.42 0.50 0.09 0.00 0.00 178.44 179.21 1bwo h LYS 52 N 0.85 0.51 -0.09 1.13 3.64 -1.20 0.17 116.57 121.59 1bwo h LYS 52 Ca 0.23 -0.26 -0.18 0.00 -1.27 0.00 0.00 60.65 59.17 1bwo h LYS 52 Cb -0.10 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1bwo h LYS 52 CO -0.05 0.84 -0.69 0.78 -2.27 0.00 0.00 179.45 178.06 1bwo h GLY 53 N 1.09 0.45 1.14 5.01 0.00 -0.66 -2.56 103.07 107.53 1bwo h GLY 53 Ca 0.03 -0.60 -0.20 0.00 0.00 0.00 0.00 47.33 46.56 1bwo h GLY 53 CO 0.08 0.54 -0.64 -2.22 0.00 0.00 0.00 176.54 174.30 1bwo h ILE 54 N 0.28 1.28 -0.80 2.60 2.04 -0.77 -3.22 117.51 118.93 1bwo h ILE 54 Ca -0.02 -1.83 -0.04 0.00 1.00 0.00 0.00 64.86 63.97 1bwo h ILE 54 Cb 1.25 1.81 -0.04 0.00 -0.74 0.00 0.00 36.82 39.11 1bwo h ILE 54 CO 0.12 0.59 0.34 0.00 0.00 0.00 0.00 178.15 179.19 1bwo h ALA 55 N 0.61 1.03 0.00 1.87 0.00 -0.95 -2.38 119.26 119.44 1bwo h ALA 55 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1bwo h ALA 55 Cb 1.26 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1bwo h ALA 55 CO 0.14 0.64 0.00 0.54 0.00 0.00 0.00 179.25 180.57 1bwo n ARG 56 N -4.30 0.05 -0.08 0.00 5.12 -0.97 -1.99 116.66 114.49 1bwo n ARG 56 Ca 0.07 0.37 0.11 0.00 -1.93 0.00 0.00 57.85 56.47 1bwo n ARG 56 Cb 0.17 -1.62 0.14 0.00 -1.16 0.00 0.00 32.46 30.00 1bwo n ARG 56 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1bwo n GLY 57 N -0.41 1.20 3.63 -0.13 0.00 -0.90 -4.91 105.19 103.67 1bwo n GLY 57 Ca 0.02 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 1bwo n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bwo s ILE 58 N -1.64 5.06 0.26 -0.61 1.01 -0.84 -5.04 121.20 119.39 1bwo s ILE 58 Ca 0.30 0.96 -0.29 0.00 0.00 0.00 0.00 60.65 61.62 1bwo s ILE 58 Cb 0.20 -3.86 -0.09 0.00 0.01 0.00 0.00 42.46 38.72 1bwo s ILE 58 CO 0.28 0.10 1.19 -1.00 0.00 0.00 0.00 174.94 175.52 1bwo s HIS 59 N 2.15 3.39 -1.37 3.97 3.76 -1.26 -3.26 115.29 122.67 1bwo s HIS 59 Ca 0.23 1.51 -0.08 0.00 -0.15 0.00 0.00 55.06 56.57 1bwo s HIS 59 Cb -0.16 -3.44 0.02 0.00 1.11 0.00 0.00 32.58 30.12 1bwo s HIS 59 CO 0.09 -1.14 1.10 0.09 -0.85 0.00 0.00 174.74 174.03 1bwo n ASN 60 N 1.62 -5.27 -4.76 1.40 5.03 -1.26 -4.93 115.26 107.09 1bwo n ASN 60 Ca 0.01 -0.61 -0.41 0.00 0.87 0.00 0.00 54.58 54.44 1bwo n ASN 60 Cb 0.44 -4.76 -0.03 0.00 -1.02 0.00 0.00 39.78 34.41 1bwo n ASN 60 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1bwo s LEU 61 N -7.16 4.44 -0.47 3.41 2.96 -1.20 -4.52 118.68 116.14 1bwo s LEU 61 Ca 0.50 2.53 -0.10 0.00 -0.22 0.00 0.00 54.13 56.85 1bwo s LEU 61 Cb -0.23 -3.63 0.12 0.00 0.50 0.00 0.00 46.19 42.94 1bwo s LEU 61 CO 0.76 -0.48 0.35 0.21 -1.32 0.00 0.00 176.35 175.87 1bwo s ASN 62 N -0.26 5.74 0.44 3.68 3.84 0.21 -4.94 114.94 123.64 1bwo s ASN 62 Ca 0.51 -1.85 0.12 0.00 0.21 0.00 0.00 52.86 51.84 1bwo s ASN 62 Cb -0.38 -2.03 0.96 0.00 -0.55 0.00 0.00 41.25 39.26 1bwo s ASN 62 CO 0.46 -0.69 2.01 -0.08 -2.79 0.00 0.00 177.10 176.01 1bwo h GLU 63 N 8.48 0.17 -0.71 0.43 4.81 -1.94 -1.40 114.58 124.43 1bwo h GLU 63 Ca -0.22 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.91 1bwo h GLU 63 Cb 1.08 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.40 1bwo h GLU 63 CO 0.86 0.24 0.17 0.22 -0.73 0.00 0.00 179.01 179.78 1bwo h ASP 64 N 0.17 1.07 -0.20 1.04 3.58 -1.95 0.06 116.42 120.18 1bwo h ASP 64 Ca 0.04 -0.23 -0.17 0.00 0.42 0.00 0.00 57.03 57.09 1bwo h ASP 64 Cb 0.21 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.99 1bwo h ASP 64 CO 0.01 1.02 -0.54 0.78 -2.88 0.00 0.00 179.24 177.63 1bwo h ASN 65 N 1.07 0.82 -0.79 2.28 4.21 -1.77 -2.93 115.58 118.47 1bwo h ASN 65 Ca 0.22 -0.58 -0.04 0.00 1.21 0.00 0.00 56.30 57.11 1bwo h ASN 65 Cb 0.37 -0.24 -0.04 0.00 -1.12 0.00 0.00 38.32 37.30 1bwo h ASN 65 CO 0.00 1.25 0.33 0.00 -1.29 0.00 0.00 177.43 177.72 1bwo h ALA 66 N 0.59 1.08 -0.33 -0.83 0.00 -1.10 -2.77 119.26 115.91 1bwo h ALA 66 Ca -0.01 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1bwo h ALA 66 Cb 1.16 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1bwo h ALA 66 CO 0.12 0.66 -0.05 -0.09 0.00 0.00 0.00 179.25 179.88 1bwo h ARG 67 N 1.15 0.53 -0.00 0.00 2.43 -0.96 -2.83 114.38 114.69 1bwo h ARG 67 Ca 0.27 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1bwo h ARG 67 Cb 0.19 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1bwo h ARG 67 CO -0.02 0.59 -0.00 -1.13 -1.51 0.00 0.00 179.97 177.89 1bwo n SER 68 N -4.25 0.35 0.14 -3.80 3.41 -1.05 -4.17 113.62 104.25 1bwo n SER 68 Ca 0.01 -1.09 -0.14 0.00 -0.26 0.00 0.00 58.87 57.40 1bwo n SER 68 Cb 0.28 -0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.14 1bwo n SER 68 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1bwo h ILE 69 N 0.54 0.82 0.01 -1.33 2.04 -1.44 -1.18 117.51 116.97 1bwo h ILE 69 Ca 0.00 -0.23 0.03 0.00 1.00 0.00 0.00 64.86 65.66 1bwo h ILE 69 Cb 0.13 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1bwo h ILE 69 CO 0.00 0.05 -0.22 -0.65 0.00 0.00 0.00 178.15 177.34 1bwo h PRO 70 N -0.42 -0.34 -0.60 2.37 0.11 -1.80 0.15 132.00 131.48 1bwo h PRO 70 Ca -0.03 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 1bwo h PRO 70 Cb 0.32 0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 1bwo h PRO 70 CO 0.05 -0.22 0.22 -1.00 -0.21 0.00 0.00 178.00 176.84 1bwo h PRO 71 N -0.35 0.88 0.00 1.05 0.13 -1.70 -0.85 132.00 131.16 1bwo h PRO 71 Ca 0.06 -0.15 -0.04 0.00 -0.87 0.00 0.00 66.00 65.00 1bwo h PRO 71 Cb 0.42 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.40 1bwo h PRO 71 CO -0.19 0.73 -0.18 0.87 -0.23 0.00 0.00 178.00 179.00 1bwo h LYS 72 N 0.86 0.00 -0.02 0.86 1.57 -0.92 -2.92 116.57 116.01 1bwo h LYS 72 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1bwo h LYS 72 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1bwo h LYS 72 CO -0.02 0.18 -0.10 0.00 -0.57 0.00 0.00 179.45 178.95 1bwo n GLY 74 N 1.28 0.49 3.42 0.00 0.00 -0.85 -5.02 105.19 104.53 1bwo n GLY 74 Ca 0.15 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 1bwo n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bwo s VAL 75 N -2.00 5.18 -0.22 1.61 1.01 -0.38 -5.03 120.40 120.57 1bwo s VAL 75 Ca 0.00 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 60.91 1bwo s VAL 75 Cb 0.00 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1bwo s VAL 75 CO 0.00 -0.40 0.80 0.21 0.00 0.00 0.00 175.10 175.71 1bwo s ASN 76 N 2.00 6.85 0.02 3.32 2.47 -1.26 -4.08 114.94 124.25 1bwo s ASN 76 Ca 0.04 1.05 0.06 0.00 0.42 0.00 0.00 52.86 54.43 1bwo s ASN 76 Cb -0.21 -2.43 -0.03 0.00 -1.45 0.00 0.00 41.25 37.13 1bwo s ASN 76 CO 0.08 -0.45 -0.16 -0.76 -3.72 0.00 0.00 177.10 172.10 1bwo s LEU 77 N 2.52 2.71 0.00 3.21 1.43 -1.26 -5.01 118.68 122.29 1bwo s LEU 77 Ca 0.35 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 1bwo s LEU 77 Cb -0.16 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.49 1bwo s LEU 77 CO 0.09 0.27 0.37 -0.81 0.23 0.00 0.00 176.35 176.51 1bwo n PRO 78 N 1.65 0.72 -3.78 1.29 -0.04 -1.26 -4.79 135.00 128.79 1bwo n PRO 78 Ca -0.16 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.24 1bwo n PRO 78 Cb 0.52 -1.35 -0.02 0.00 -0.04 0.00 0.00 33.50 32.61 1bwo n PRO 78 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1bwo s TYR 79 N -1.03 -0.19 0.13 0.54 -0.85 -1.26 -5.16 117.35 109.52 1bwo s TYR 79 Ca 0.00 -0.18 -0.05 0.00 -0.52 0.00 0.00 57.07 56.32 1bwo s TYR 79 Cb 0.00 0.67 -0.05 0.00 0.38 0.00 0.00 41.96 42.95 1bwo s TYR 79 CO 0.00 -1.02 0.36 0.99 -1.52 0.00 0.00 175.55 174.37 1bwo s THR 80 N -3.61 5.18 0.11 -3.49 2.01 -1.26 -5.10 115.64 109.49 1bwo s THR 80 Ca 0.11 0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.19 1bwo s THR 80 Cb -0.04 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 1bwo s THR 80 CO 0.03 0.07 0.04 0.27 -0.69 0.00 0.00 174.62 174.35 1bwo s ILE 81 N -1.62 4.17 0.34 1.82 -4.36 -1.26 -5.01 121.20 115.28 1bwo s ILE 81 Ca 0.40 -1.02 -0.18 0.00 -0.26 0.00 0.00 60.65 59.59 1bwo s ILE 81 Cb -0.12 -3.03 0.04 0.00 1.25 0.00 0.00 42.46 40.59 1bwo s ILE 81 CO 0.24 0.05 0.75 -0.94 0.24 0.00 0.00 174.94 175.28 1bwo s SER 82 N -2.55 -0.10 0.57 4.36 1.04 -1.26 -4.72 113.70 111.05 1bwo s SER 82 Ca 0.28 -0.93 0.35 0.00 0.48 0.00 0.00 55.95 56.12 1bwo s SER 82 Cb -0.11 0.80 1.65 0.00 0.10 0.00 0.00 66.02 68.45 1bwo s SER 82 CO 0.20 -1.54 2.10 -0.07 0.98 0.00 0.00 173.24 174.91 1bwo h LEU 83 N 2.00 0.00 -3.43 2.42 3.38 -1.99 -2.87 115.31 114.82 1bwo h LEU 83 Ca -0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1bwo h LEU 83 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1bwo h LEU 83 CO 0.33 0.04 0.01 0.59 0.09 0.00 0.00 178.44 179.51 1bwo n ASN 84 N -3.24 4.75 -4.76 -0.43 5.03 -1.26 -5.01 115.26 110.34 1bwo n ASN 84 Ca -0.01 -3.01 -0.41 0.00 0.87 0.00 0.00 54.58 52.02 1bwo n ASN 84 Cb 0.23 -0.62 -0.00 0.00 -1.02 0.00 0.00 39.78 38.37 1bwo n ASN 84 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1bwo n ILE 85 N -0.00 2.05 -2.94 2.41 3.06 -1.09 -4.93 119.36 117.92 1bwo n ILE 85 Ca 0.26 -0.50 -0.43 0.00 -2.50 0.00 0.00 62.75 59.58 1bwo n ILE 85 Cb 1.06 -1.88 -0.05 0.00 0.54 0.00 0.00 39.64 39.31 1bwo n ILE 85 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1bwo s ASP 86 N -0.19 6.47 0.18 9.51 2.15 -1.26 -4.92 116.67 128.61 1bwo s ASP 86 Ca 0.54 0.09 0.21 0.00 0.43 0.00 0.00 52.55 53.81 1bwo s ASP 86 Cb -0.49 -2.40 0.87 0.00 -0.30 0.00 0.00 42.92 40.59 1bwo s ASP 86 CO 0.63 -0.88 1.63 0.00 -0.17 0.00 0.00 175.17 176.39 1bwo n SER 88 N -2.01 0.53 0.00 0.00 3.41 -1.26 -3.68 113.62 110.60 1bwo n SER 88 Ca 0.02 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.53 1bwo n SER 88 Cb 0.21 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1bwo n SER 88 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1bwo n ARG 89 N -0.62 1.66 0.00 4.33 5.12 -1.12 -5.10 116.66 120.93 1bwo n ARG 89 Ca 0.21 -1.05 0.16 0.00 -1.93 0.00 0.00 57.85 55.23 1bwo n ARG 89 Cb 0.21 -0.82 0.92 0.00 -1.16 0.00 0.00 32.46 31.61 1bwo n ARG 89 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03