#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bxy s PRO 2 N 0.00 2.85 0.15 2.12 0.04 -1.26 -4.92 135.00 133.98 1bxy s PRO 2 Ca 0.00 1.39 -0.00 0.00 0.04 0.00 0.00 61.00 62.43 1bxy s PRO 2 Cb 0.00 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 1bxy s PRO 2 CO 0.00 -1.21 0.05 1.03 0.04 0.00 0.00 177.00 176.91 1bxy s ARG 3 N -4.07 1.01 -0.03 4.56 0.52 -0.34 -1.11 118.95 119.49 1bxy s ARG 3 Ca 0.67 -1.49 0.05 0.00 -0.52 0.00 0.00 55.73 54.44 1bxy s ARG 3 Cb -0.20 0.08 -0.01 0.00 0.52 0.00 0.00 34.95 35.33 1bxy s ARG 3 CO 0.41 -0.23 -0.19 -0.51 0.02 0.00 0.00 175.30 174.79 1bxy s LEU 4 N -3.10 1.99 -0.24 2.53 1.43 0.98 -1.09 118.68 121.18 1bxy s LEU 4 Ca 0.25 -0.37 -0.10 0.00 -1.03 0.00 0.00 54.13 52.88 1bxy s LEU 4 Cb 0.07 -1.04 -0.05 0.00 0.03 0.00 0.00 46.19 45.20 1bxy s LEU 4 CO 0.03 0.20 0.14 -0.75 0.23 0.00 0.00 176.35 176.21 1bxy s LYS 5 N -0.20 3.97 -0.11 1.70 2.20 0.29 -0.93 119.74 126.65 1bxy s LYS 5 Ca 0.01 -0.32 0.02 0.00 -0.36 0.00 0.00 55.97 55.32 1bxy s LYS 5 Cb -0.10 -3.49 -0.01 0.00 -1.51 0.00 0.00 37.83 32.72 1bxy s LYS 5 CO 0.01 -0.00 -0.19 0.08 -0.36 0.00 0.00 175.35 174.88 1bxy s VAL 6 N 1.21 2.49 -0.11 4.02 1.01 0.18 -0.51 120.40 128.70 1bxy s VAL 6 Ca 0.07 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1bxy s VAL 6 Cb -0.14 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 1bxy s VAL 6 CO 0.05 0.55 -0.19 -0.75 0.00 0.00 0.00 175.10 174.75 1bxy s LYS 7 N 0.31 3.16 -0.48 2.72 2.20 -0.10 -1.02 119.74 126.53 1bxy s LYS 7 Ca -0.15 -0.80 -0.29 0.00 -0.36 0.00 0.00 55.97 54.38 1bxy s LYS 7 Cb -0.17 -2.43 0.03 0.00 -1.51 0.00 0.00 37.83 33.75 1bxy s LYS 7 CO 0.07 0.21 1.13 -1.17 -0.36 0.00 0.00 175.35 175.23 1bxy s LEU 8 N 0.31 3.65 -0.02 5.43 2.96 -0.70 -0.78 118.68 129.53 1bxy s LEU 8 Ca -0.15 0.45 0.17 0.00 -0.22 0.00 0.00 54.13 54.38 1bxy s LEU 8 Cb -0.17 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.74 1bxy s LEU 8 CO 0.07 -1.25 0.47 1.33 -1.32 0.00 0.00 176.35 175.66 1bxy n VAL 9 N 6.84 0.00 -4.41 1.68 0.24 -0.03 0.03 118.33 122.67 1bxy n VAL 9 Ca 0.12 -0.31 -0.26 0.00 -2.04 0.00 0.00 64.34 61.85 1bxy n VAL 9 Cb 0.49 0.37 -0.12 0.00 -1.47 0.00 0.00 33.84 33.12 1bxy n VAL 9 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1bxy s LYS 10 N -3.01 1.49 -0.07 7.34 1.02 -0.81 -4.85 119.74 120.86 1bxy s LYS 10 Ca -0.03 -1.53 -0.30 0.00 0.02 0.00 0.00 55.97 54.14 1bxy s LYS 10 Cb 0.11 -1.77 -0.03 0.00 -0.52 0.00 0.00 37.83 35.62 1bxy s LYS 10 CO 0.70 0.38 1.21 0.45 -0.92 0.00 0.00 175.35 177.18 1bxy s SER 11 N -2.72 7.03 0.00 2.83 0.15 -1.26 -4.90 113.70 114.82 1bxy s SER 11 Ca 0.21 1.80 0.29 0.00 0.70 0.00 0.00 55.95 58.95 1bxy s SER 11 Cb -0.07 -2.56 1.26 0.00 -1.71 0.00 0.00 66.02 62.94 1bxy s SER 11 CO 0.10 -0.61 1.87 -0.81 1.20 0.00 0.00 173.24 174.98 1bxy n PRO 12 N 5.40 1.19 -1.64 5.44 -0.04 -1.26 -4.95 135.00 139.14 1bxy n PRO 12 Ca 0.11 -0.52 -0.50 0.00 -0.04 0.00 0.00 63.50 62.55 1bxy n PRO 12 Cb 0.46 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 1bxy n PRO 12 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1bxy n ILE 13 N -0.45 0.10 -1.01 0.52 5.41 -1.26 -0.19 119.36 122.47 1bxy n ILE 13 Ca 0.18 -0.02 -0.00 0.00 1.00 0.00 0.00 62.75 63.91 1bxy n ILE 13 Cb 0.28 -1.21 -0.00 0.00 -0.71 0.00 0.00 39.64 37.99 1bxy n ILE 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1bxy n GLY 14 N 3.22 0.46 3.86 7.39 0.00 -1.26 -5.03 105.19 113.83 1bxy n GLY 14 Ca 0.19 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1bxy n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bxy s TYR 15 N -1.91 3.47 0.58 1.61 1.51 0.73 -5.01 117.35 118.33 1bxy s TYR 15 Ca 0.00 1.30 -0.19 0.00 -1.01 0.00 0.00 57.07 57.18 1bxy s TYR 15 Cb 0.00 -2.79 -0.06 0.00 -0.11 0.00 0.00 41.96 39.00 1bxy s TYR 15 CO 0.00 -0.87 0.87 -2.30 -1.11 0.00 0.00 175.55 172.14 1bxy n PRO 16 N -2.87 0.86 -0.32 -1.71 -0.02 -1.26 -4.69 135.00 124.99 1bxy n PRO 16 Ca 0.06 0.33 0.17 0.00 -2.02 0.00 0.00 63.50 62.04 1bxy n PRO 16 Cb 0.54 -2.05 0.42 0.00 -0.02 0.00 0.00 33.50 32.39 1bxy n PRO 16 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1bxy h LYS 17 N 0.54 0.56 -0.67 -0.52 1.79 -1.98 0.16 116.57 116.45 1bxy h LYS 17 Ca -0.47 -0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.00 1bxy h LYS 17 Cb 1.37 -0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 31.85 1bxy h LYS 17 CO 0.51 0.37 0.40 -0.44 -1.08 0.00 0.00 179.45 179.21 1bxy h ASP 18 N 0.57 0.64 0.08 0.86 3.32 -1.98 0.11 116.42 120.02 1bxy h ASP 18 Ca 0.56 0.01 -0.23 0.00 0.02 0.00 0.00 57.03 57.39 1bxy h ASP 18 Cb 1.13 -0.12 0.02 0.00 0.22 0.00 0.00 39.33 40.58 1bxy h ASP 18 CO -0.31 0.43 -0.95 1.56 -1.72 0.00 0.00 179.24 178.25 1bxy h GLN 19 N 0.77 0.51 -0.36 3.56 4.20 -1.67 -0.27 115.11 121.86 1bxy h GLN 19 Ca 0.28 -0.65 -0.03 0.00 0.06 0.00 0.00 58.65 58.31 1bxy h GLN 19 Cb 0.08 0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1bxy h GLN 19 CO -0.13 1.27 0.11 0.87 -0.67 0.00 0.00 178.83 180.27 1bxy h LYS 20 N 0.06 0.51 -0.44 1.46 1.57 -0.80 -2.36 116.57 116.57 1bxy h LYS 20 Ca -0.14 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.48 1bxy h LYS 20 Cb 1.66 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.86 1bxy h LYS 20 CO 0.18 0.46 -0.04 0.00 -0.57 0.00 0.00 179.45 179.48 1bxy h ALA 21 N 1.62 0.60 -0.82 3.86 0.00 -0.63 -1.85 119.26 122.03 1bxy h ALA 21 Ca 0.12 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1bxy h ALA 21 Cb 0.16 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1bxy h ALA 21 CO -0.01 0.43 0.54 0.00 0.00 0.00 0.00 179.25 180.22 1bxy h ALA 22 N 0.89 1.48 -0.47 0.00 0.00 -0.63 -0.04 119.26 120.48 1bxy h ALA 22 Ca 0.12 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1bxy h ALA 22 Cb 0.56 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1bxy h ALA 22 CO 0.03 0.44 -0.05 -0.07 0.00 0.00 0.00 179.25 179.61 1bxy h LEU 23 N 1.03 0.78 0.08 0.00 3.38 -1.06 -1.03 115.31 118.50 1bxy h LEU 23 Ca 0.32 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1bxy h LEU 23 Cb 0.01 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1bxy h LEU 23 CO -0.09 0.88 -0.04 0.50 0.09 0.00 0.00 178.44 179.78 1bxy h LYS 24 N 0.74 -0.11 0.00 1.13 1.63 -0.66 0.04 116.57 119.34 1bxy h LYS 24 Ca 0.14 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.92 1bxy h LYS 24 Cb 0.52 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.17 1bxy h LYS 24 CO 0.03 -0.06 -0.10 0.00 -3.45 0.00 0.00 179.45 175.87 1bxy h ALA 25 N 0.79 1.21 -0.01 5.00 0.00 -0.66 -1.11 119.26 124.49 1bxy h ALA 25 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1bxy h ALA 25 Cb 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1bxy h ALA 25 CO 0.02 0.13 -0.35 1.28 0.00 0.00 0.00 179.25 180.33 1bxy n LEU 26 N -3.52 1.20 -0.56 0.00 4.77 -0.42 -4.95 117.00 113.53 1bxy n LEU 26 Ca -0.02 -0.36 -0.07 0.00 -0.03 0.00 0.00 56.01 55.53 1bxy n LEU 26 Cb 0.24 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1bxy n LEU 26 CO 0.29 0.23 -0.07 0.61 -1.33 0.00 0.00 177.39 177.12 1bxy n GLY 27 N 1.37 0.94 3.56 -0.72 0.00 -0.15 -4.92 105.19 105.27 1bxy n GLY 27 Ca 0.11 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1bxy n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxy s LEU 28 N -1.65 4.27 -0.01 0.99 1.43 -0.34 -4.90 118.68 118.47 1bxy s LEU 28 Ca 0.00 0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.18 1bxy s LEU 28 Cb 0.00 -2.88 -0.09 0.00 0.03 0.00 0.00 46.19 43.25 1bxy s LEU 28 CO 0.00 -0.75 0.14 0.54 0.23 0.00 0.00 176.35 176.51 1bxy n ARG 29 N 6.36 0.58 -3.91 1.70 1.74 -1.26 -4.50 116.66 117.37 1bxy n ARG 29 Ca 0.01 -0.05 -0.09 0.00 -0.77 0.00 0.00 57.85 56.95 1bxy n ARG 29 Cb 0.48 -1.11 -0.08 0.00 -1.02 0.00 0.00 32.46 30.73 1bxy n ARG 29 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1bxy s ARG 30 N -2.35 0.90 0.41 5.56 1.70 -1.26 -5.11 118.95 118.80 1bxy s ARG 30 Ca -0.02 -1.05 -0.26 0.00 -0.47 0.00 0.00 55.73 53.93 1bxy s ARG 30 Cb 0.04 0.34 -0.08 0.00 -0.57 0.00 0.00 34.95 34.67 1bxy s ARG 30 CO 0.25 -0.29 1.25 -0.51 -1.08 0.00 0.00 175.30 174.92 1bxy s LEU 31 N -2.90 4.20 -0.33 -1.89 1.43 -1.26 -2.75 118.68 115.18 1bxy s LEU 31 Ca 0.09 2.54 0.00 0.00 -1.03 0.00 0.00 54.13 55.73 1bxy s LEU 31 Cb 0.05 -3.95 0.00 0.00 0.03 0.00 0.00 46.19 42.32 1bxy s LEU 31 CO -0.08 -0.80 0.00 0.00 0.23 0.00 0.00 176.35 175.70 1bxy n GLN 32 N 0.09 -1.76 -2.02 1.70 6.02 0.10 -5.01 117.38 116.51 1bxy n GLN 32 Ca 0.04 0.57 -0.40 0.00 -0.01 0.00 0.00 57.00 57.20 1bxy n GLN 32 Cb 0.45 -4.94 -0.01 0.00 1.02 0.00 0.00 30.24 26.76 1bxy n GLN 32 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1bxy s GLN 33 N -2.12 4.08 0.05 -1.09 0.74 -1.11 -4.76 119.66 115.45 1bxy s GLN 33 Ca 0.00 2.25 0.08 0.00 0.05 0.00 0.00 55.36 57.75 1bxy s GLN 33 Cb 0.00 -2.87 -0.03 0.00 1.10 0.00 0.00 33.01 31.21 1bxy s GLN 33 CO 0.00 -0.43 -0.23 -1.21 -0.55 0.00 0.00 175.29 172.87 1bxy s GLU 34 N -2.10 1.49 0.02 1.67 2.02 -1.26 -1.72 118.70 118.81 1bxy s GLU 34 Ca 0.54 -1.03 0.02 0.00 0.02 0.00 0.00 54.97 54.53 1bxy s GLU 34 Cb -0.40 -1.65 -0.01 0.00 0.10 0.00 0.00 34.13 32.16 1bxy s GLU 34 CO 0.53 0.42 -0.07 1.03 0.02 0.00 0.00 175.26 177.19 1bxy s ARG 35 N -1.29 0.49 -0.22 1.61 1.81 -0.18 -4.97 118.95 116.19 1bxy s ARG 35 Ca 0.09 -0.45 -0.04 0.00 -1.72 0.00 0.00 55.73 53.61 1bxy s ARG 35 Cb -0.09 -0.38 -0.00 0.00 -0.45 0.00 0.00 34.95 34.02 1bxy s ARG 35 CO 0.02 0.09 -0.04 0.08 -0.68 0.00 0.00 175.30 174.77 1bxy s VAL 36 N -0.69 3.34 0.26 3.52 1.01 -1.26 -0.64 120.40 125.95 1bxy s VAL 36 Ca -0.03 -0.54 0.11 0.00 0.00 0.00 0.00 61.98 61.52 1bxy s VAL 36 Cb -0.06 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 1bxy s VAL 36 CO 0.00 0.39 -0.17 -0.76 0.00 0.00 0.00 175.10 174.57 1bxy s LEU 37 N 1.47 2.68 0.21 3.92 1.43 -0.11 -4.95 118.68 123.34 1bxy s LEU 37 Ca 0.05 -0.93 -0.30 0.00 -1.03 0.00 0.00 54.13 51.92 1bxy s LEU 37 Cb -0.14 -1.23 -0.08 0.00 0.03 0.00 0.00 46.19 44.76 1bxy s LEU 37 CO -0.03 0.05 1.16 -1.61 0.23 0.00 0.00 176.35 176.15 1bxy s GLU 38 N -3.41 4.54 -0.93 1.70 8.01 -1.26 -0.01 118.70 127.34 1bxy s GLU 38 Ca 0.29 1.85 -0.24 0.00 0.01 0.00 0.00 54.97 56.88 1bxy s GLU 38 Cb -0.06 -3.23 0.01 0.00 -4.31 0.00 0.00 34.13 26.54 1bxy s GLU 38 CO 0.15 0.01 1.66 0.34 0.01 0.00 0.00 175.26 177.43 1bxy s ASP 39 N -0.18 5.86 0.37 -0.19 2.15 -0.26 -4.68 116.67 119.73 1bxy s ASP 39 Ca 0.50 -0.96 0.08 0.00 0.43 0.00 0.00 52.55 52.60 1bxy s ASP 39 Cb -0.32 -2.56 -0.05 0.00 -0.30 0.00 0.00 42.92 39.69 1bxy s ASP 39 CO 0.38 -2.08 0.12 0.42 -0.17 0.00 0.00 175.17 173.84 1bxy s THR 40 N 7.32 2.65 0.23 1.71 -4.23 -1.26 -4.61 115.64 117.45 1bxy s THR 40 Ca 0.56 -1.78 -0.07 0.00 -1.18 0.00 0.00 61.69 59.23 1bxy s THR 40 Cb -0.04 -2.93 0.21 0.00 1.34 0.00 0.00 72.50 71.08 1bxy s THR 40 CO -0.03 -0.12 1.69 -0.65 -0.54 0.00 0.00 174.62 174.97 1bxy h PRO 41 N 1.58 0.26 -0.29 3.99 0.11 -1.98 0.03 132.00 135.70 1bxy h PRO 41 Ca -0.43 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1bxy h PRO 41 Cb 1.25 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1bxy h PRO 41 CO 0.67 0.17 0.08 0.00 -0.21 0.00 0.00 178.00 178.71 1bxy h ALA 42 N 1.57 0.38 -0.61 -0.75 0.00 -1.97 -0.07 119.26 117.81 1bxy h ALA 42 Ca 0.38 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1bxy h ALA 42 Cb 0.62 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1bxy h ALA 42 CO -0.47 0.03 0.10 0.82 0.00 0.00 0.00 179.25 179.73 1bxy h ILE 43 N 0.30 1.26 -0.93 0.00 1.08 -1.80 -2.53 117.51 114.89 1bxy h ILE 43 Ca 0.09 -1.00 0.01 0.00 -0.39 0.00 0.00 64.86 63.57 1bxy h ILE 43 Cb 0.27 0.73 -0.05 0.00 -3.07 0.00 0.00 36.82 34.71 1bxy h ILE 43 CO -0.00 0.37 0.61 0.03 -0.69 0.00 0.00 178.15 178.47 1bxy h ARG 44 N 0.91 1.22 -0.81 2.37 3.08 -0.76 -1.62 114.38 118.77 1bxy h ARG 44 Ca 0.18 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.17 1bxy h ARG 44 Cb 0.43 -0.27 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 1bxy h ARG 44 CO 0.01 0.81 0.54 0.78 -1.07 0.00 0.00 179.97 181.03 1bxy h GLY 45 N 1.25 1.14 1.62 0.04 0.00 -0.65 -0.73 103.07 105.74 1bxy h GLY 45 Ca 0.34 -0.42 -0.14 0.00 0.00 0.00 0.00 47.33 47.11 1bxy h GLY 45 CO -0.07 0.41 -0.49 3.43 0.00 0.00 0.00 176.54 179.81 1bxy h ASN 46 N 1.09 0.45 -0.15 0.19 2.35 -1.02 -2.62 115.58 115.86 1bxy h ASN 46 Ca 0.30 -0.22 -0.14 0.00 -0.55 0.00 0.00 56.30 55.69 1bxy h ASN 46 Cb -0.11 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 1bxy h ASN 46 CO -0.07 0.87 -0.38 0.58 -1.65 0.00 0.00 177.43 176.78 1bxy h VAL 47 N 0.33 1.29 -0.51 2.81 2.07 -0.80 -2.99 116.25 118.45 1bxy h VAL 47 Ca 0.02 -1.54 0.02 0.00 0.82 0.00 0.00 66.70 66.02 1bxy h VAL 47 Cb 0.99 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 1bxy h VAL 47 CO 0.09 0.50 0.31 -0.08 0.02 0.00 0.00 177.57 178.40 1bxy h GLU 48 N 0.56 0.60 -0.12 1.57 4.81 -1.03 -1.65 114.58 119.32 1bxy h GLU 48 Ca 0.05 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1bxy h GLU 48 Cb 0.90 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 1bxy h GLU 48 CO 0.08 0.40 0.09 0.87 -0.73 0.00 0.00 179.01 179.72 1bxy h LYS 49 N 0.62 0.00 -0.17 1.92 1.57 -1.32 -2.90 116.57 116.29 1bxy h LYS 49 Ca 0.21 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.91 1bxy h LYS 49 Cb 0.01 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 1bxy h LYS 49 CO -0.09 0.00 -0.24 1.33 -0.57 0.00 0.00 179.45 179.88 1bxy n VAL 50 N -4.43 2.33 -0.31 0.50 0.24 -0.88 -4.80 118.33 110.99 1bxy n VAL 50 Ca -0.00 -2.85 0.11 0.00 -2.04 0.00 0.00 64.34 59.55 1bxy n VAL 50 Cb 0.21 -0.28 0.27 0.00 -1.47 0.00 0.00 33.84 32.58 1bxy n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bxy h ALA 51 N 0.95 1.40 -0.09 2.33 0.00 -1.11 0.13 119.26 122.88 1bxy h ALA 51 Ca 0.09 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1bxy h ALA 51 Cb 1.31 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1bxy h ALA 51 CO 0.18 -0.20 -0.04 1.25 0.00 0.00 0.00 179.25 180.44 1bxy h HIS 52 N 0.54 0.12 0.00 0.00 6.17 -1.87 -2.99 115.15 117.11 1bxy h HIS 52 Ca 0.52 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.60 1bxy h HIS 52 Cb 0.87 -0.04 0.00 0.00 2.52 0.00 0.00 27.41 30.76 1bxy h HIS 52 CO -0.10 0.17 -0.83 1.28 0.71 0.00 0.00 177.93 179.17 1bxy n LEU 53 N -4.42 0.66 -4.41 0.26 4.77 0.01 -4.75 117.00 109.12 1bxy n LEU 53 Ca -0.02 0.13 -0.23 0.00 -0.03 0.00 0.00 56.01 55.87 1bxy n LEU 53 Cb 0.17 -0.14 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 1bxy n LEU 53 CO 0.36 -0.02 -0.48 0.68 -1.33 0.00 0.00 177.39 176.60 1bxy s VAL 54 N -3.19 2.16 -0.09 4.08 -7.23 -1.03 -0.85 120.40 114.25 1bxy s VAL 54 Ca 0.05 -2.22 -0.01 0.00 -1.81 0.00 0.00 61.98 57.99 1bxy s VAL 54 Cb 0.14 -2.13 -0.03 0.00 0.56 0.00 0.00 36.38 34.91 1bxy s VAL 54 CO 0.76 -0.40 -0.05 -0.60 -0.31 0.00 0.00 175.10 174.50 1bxy s ARG 55 N -3.31 2.97 -0.05 4.82 3.52 0.04 -4.86 118.95 122.09 1bxy s ARG 55 Ca 0.24 -0.52 0.07 0.00 -0.13 0.00 0.00 55.73 55.39 1bxy s ARG 55 Cb -0.04 -2.69 -0.01 0.00 -1.56 0.00 0.00 34.95 30.64 1bxy s ARG 55 CO 0.11 0.59 -0.25 0.08 -0.81 0.00 0.00 175.30 175.01 1bxy s VAL 56 N -0.59 2.07 0.01 7.11 1.01 -1.26 -0.92 120.40 127.83 1bxy s VAL 56 Ca 0.09 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 61.02 1bxy s VAL 56 Cb -0.12 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 1bxy s VAL 56 CO 0.02 0.57 -0.09 -1.61 0.00 0.00 0.00 175.10 173.99 1bxy s GLU 57 N -0.30 0.68 -0.15 2.72 2.02 0.33 -4.97 118.70 119.03 1bxy s GLU 57 Ca 0.01 -0.44 -0.29 0.00 0.02 0.00 0.00 54.97 54.27 1bxy s GLU 57 Cb -0.13 -0.63 -0.01 0.00 0.10 0.00 0.00 34.13 33.47 1bxy s GLU 57 CO 0.02 0.16 0.99 0.08 0.02 0.00 0.00 175.26 176.53 1bxy s VAL 58 N -0.49 4.77 0.39 2.63 1.01 -1.26 -0.55 120.40 126.91 1bxy s VAL 58 Ca 0.01 1.97 0.05 0.00 0.00 0.00 0.00 61.98 64.01 1bxy s VAL 58 Cb -0.05 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 1bxy s VAL 58 CO 0.00 -0.04 0.20 1.33 0.00 0.00 0.00 175.10 176.59 1bxy n VAL 59 N 4.79 0.00 0.06 2.92 0.24 -0.25 -4.90 118.33 121.20 1bxy n VAL 59 Ca 0.09 -2.46 0.01 0.00 -2.04 0.00 0.00 64.34 59.93 1bxy n VAL 59 Cb 0.48 1.00 0.01 0.00 -1.47 0.00 0.00 33.84 33.86 1bxy n VAL 59 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07