#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2waq n ASP 10 N 0.00 -3.34 -2.13 4.38 2.03 -1.26 -4.93 116.55 111.29 2waq n ASP 10 Ca 0.00 1.28 -0.26 0.00 0.52 0.00 0.00 54.79 56.33 2waq n ASP 10 Cb 0.00 -4.97 0.09 0.00 -0.72 0.00 0.00 41.12 35.53 2waq n ASP 10 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2waq n PRO 11 N 1.19 2.28 0.00 -0.67 -0.04 -1.26 -4.99 135.00 131.51 2waq n PRO 11 Ca -0.23 -2.65 0.00 0.00 -0.04 0.00 0.00 63.50 60.58 2waq n PRO 11 Cb 0.36 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 2waq n PRO 11 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2waq n ARG 12 N -0.63 0.42 -1.52 0.54 5.12 -1.26 -4.72 116.66 114.61 2waq n ARG 12 Ca 0.51 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 56.23 2waq n ARG 12 Cb 0.92 0.00 -0.18 0.00 -1.16 0.00 0.00 32.46 32.03 2waq n ARG 12 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 2waq n ILE 13 N -1.03 -0.00 -3.48 0.55 0.13 -1.26 -4.81 119.36 109.45 2waq n ILE 13 Ca 0.00 -0.49 -0.29 0.00 -1.10 0.00 0.00 62.75 60.87 2waq n ILE 13 Cb 0.00 -0.56 -0.13 0.00 -0.84 0.00 0.00 39.64 38.11 2waq n ILE 13 CO 0.00 0.00 0.00 -1.00 2.80 0.00 0.00 176.55 178.35 2waq s HIS 14 N 4.24 0.60 0.00 9.51 3.76 -1.26 -5.04 115.29 127.09 2waq s HIS 14 Ca 1.22 -1.42 0.00 0.00 -0.15 0.00 0.00 55.06 54.70 2waq s HIS 14 Cb -0.66 -0.90 0.00 0.00 1.11 0.00 0.00 32.58 32.13 2waq s HIS 14 CO 0.44 -0.83 0.00 0.98 -0.85 0.00 0.00 174.74 174.48 2waq n TYR 15 N 4.35 0.00 0.05 1.40 9.36 -1.26 -3.60 117.16 127.45 2waq n TYR 15 Ca 0.08 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 61.07 2waq n TYR 15 Cb 0.38 0.00 -0.15 0.00 -0.63 0.00 0.00 39.34 38.95 2waq n TYR 15 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2waq h LEU 16 N 0.00 0.54 -9.12 2.98 4.07 -1.96 -3.46 115.31 108.36 2waq h LEU 16 Ca 0.00 -0.94 -0.56 0.00 0.08 0.00 0.00 57.88 56.46 2waq h LEU 16 Cb 0.00 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.53 2waq h LEU 16 CO 0.00 1.81 1.03 0.54 -1.08 0.00 0.00 178.44 180.74 2waq s VAL 17 N -2.57 3.91 1.19 1.22 0.11 -1.24 -5.02 120.40 118.01 2waq s VAL 17 Ca -0.18 1.07 -0.20 0.00 -2.93 0.00 0.00 61.98 59.74 2waq s VAL 17 Cb 0.06 -3.79 0.29 0.00 -1.53 0.00 0.00 36.38 31.41 2waq s VAL 17 CO 0.82 -0.20 1.17 -2.16 -3.33 0.00 0.00 175.10 171.40 2waq s PRO 18 N 4.06 -1.16 -0.21 1.54 0.04 -1.26 -4.21 135.00 133.80 2waq s PRO 18 Ca 0.65 -0.27 -0.12 0.00 0.04 0.00 0.00 61.00 61.30 2waq s PRO 18 Cb -0.25 -1.62 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 2waq s PRO 18 CO 0.24 -3.63 0.22 0.15 0.04 0.00 0.00 177.00 174.01 2waq s LYS 19 N -5.61 4.14 -0.09 4.56 1.02 -1.22 -4.78 119.74 117.76 2waq s LYS 19 Ca 0.73 -0.12 -0.02 0.00 0.02 0.00 0.00 55.97 56.58 2waq s LYS 19 Cb -0.06 -3.50 -0.03 0.00 -0.52 0.00 0.00 37.83 33.71 2waq s LYS 19 CO 0.55 0.12 0.01 -1.01 -0.92 0.00 0.00 175.35 174.10 2waq s HIS 20 N 0.88 3.17 -0.04 3.18 3.76 -1.26 -2.07 115.29 122.91 2waq s HIS 20 Ca 0.11 0.20 0.03 0.00 -0.15 0.00 0.00 55.06 55.24 2waq s HIS 20 Cb -0.13 -1.80 0.00 0.00 1.11 0.00 0.00 32.58 31.77 2waq s HIS 20 CO 0.04 0.47 -0.11 -1.21 -0.85 0.00 0.00 174.74 173.07 2waq s GLU 21 N -0.86 1.27 0.16 1.40 2.02 0.47 -4.99 118.70 118.17 2waq s GLU 21 Ca 0.13 -0.38 -0.30 0.00 0.02 0.00 0.00 54.97 54.44 2waq s GLU 21 Cb -0.11 -1.13 -0.07 0.00 0.10 0.00 0.00 34.13 32.91 2waq s GLU 21 CO 0.02 0.12 1.04 0.08 0.02 0.00 0.00 175.26 176.55 2waq s VAL 22 N 0.27 4.10 -0.01 2.63 1.01 -1.26 -1.10 120.40 126.04 2waq s VAL 22 Ca -0.06 1.80 -0.15 0.00 0.00 0.00 0.00 61.98 63.58 2waq s VAL 22 Cb -0.11 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 32.07 2waq s VAL 22 CO 0.01 0.30 0.41 -0.76 0.00 0.00 0.00 175.10 175.07 2waq s LEU 23 N -0.27 4.46 0.29 3.92 1.43 -1.22 -4.94 118.68 122.36 2waq s LEU 23 Ca 0.48 0.95 -0.29 0.00 -1.03 0.00 0.00 54.13 54.24 2waq s LEU 23 Cb -0.27 -2.59 -0.09 0.00 0.03 0.00 0.00 46.19 43.27 2waq s LEU 23 CO 0.33 0.30 1.06 -0.44 0.23 0.00 0.00 176.35 177.84 2waq s SER 24 N -0.96 7.27 0.41 2.29 0.01 -1.26 -4.72 113.70 116.74 2waq s SER 24 Ca 0.24 2.18 0.21 0.00 1.31 0.00 0.00 55.95 59.88 2waq s SER 24 Cb -0.17 -2.62 1.16 0.00 0.21 0.00 0.00 66.02 64.61 2waq s SER 24 CO 0.13 -0.13 1.77 0.40 0.41 0.00 0.00 173.24 175.81 2waq h ILE 25 N 2.99 0.49 0.25 1.44 1.08 -1.97 -0.30 117.51 121.48 2waq h ILE 25 Ca -0.47 -0.12 -0.01 0.00 -0.39 0.00 0.00 64.86 63.87 2waq h ILE 25 Cb 1.21 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 35.08 2waq h ILE 25 CO 0.66 0.06 -0.12 0.44 -0.69 0.00 0.00 178.15 178.51 2waq h ASP 26 N 0.34 -0.28 1.19 1.72 3.32 -2.01 -2.74 116.42 117.96 2waq h ASP 26 Ca 0.60 -0.09 -0.13 0.00 0.02 0.00 0.00 57.03 57.43 2waq h ASP 26 Cb 1.62 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 41.22 2waq h ASP 26 CO -0.28 -0.08 -0.85 1.05 -1.72 0.00 0.00 179.24 177.36 2waq h GLU 27 N -0.47 0.00 0.00 3.56 4.11 -1.74 -3.19 114.58 116.84 2waq h GLU 27 Ca -0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.38 2waq h GLU 27 Cb 0.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2waq h GLU 27 CO 0.06 0.44 -0.09 0.00 0.07 0.00 0.00 179.01 179.48 2waq h ALA 28 N 1.46 1.00 -0.10 1.06 0.00 -1.17 -3.09 119.26 118.42 2waq h ALA 28 Ca -0.06 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2waq h ALA 28 Cb 1.46 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 2waq h ALA 28 CO 0.06 0.11 -0.12 -0.92 0.00 0.00 0.00 179.25 178.38 2waq h TYR 29 N 0.00 0.32 0.00 0.00 3.20 -1.47 -2.75 116.97 116.27 2waq h TYR 29 Ca -0.00 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.74 2waq h TYR 29 Cb 0.70 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.90 2waq h TYR 29 CO 0.00 0.70 -0.12 -0.22 -1.64 0.00 0.00 178.16 176.88 2waq h LYS 30 N -0.16 0.00 -0.02 1.82 3.64 -1.60 -2.06 116.57 118.19 2waq h LYS 30 Ca 0.01 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2waq h LYS 30 Cb 0.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2waq h LYS 30 CO 0.03 0.12 -0.09 0.82 -2.27 0.00 0.00 179.45 178.06 2waq h ILE 31 N 0.00 1.52 -0.69 2.00 2.04 -1.57 -3.09 117.51 117.72 2waq h ILE 31 Ca -0.00 -1.66 -0.01 0.00 1.00 0.00 0.00 64.86 64.19 2waq h ILE 31 Cb 0.30 2.58 -0.03 0.00 -0.74 0.00 0.00 36.82 38.93 2waq h ILE 31 CO 0.02 0.44 0.41 -0.07 0.00 0.00 0.00 178.15 178.95 2waq h LEU 32 N -0.55 0.83 -0.32 1.44 3.38 -1.11 -0.33 115.31 118.64 2waq h LEU 32 Ca -0.01 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 57.72 2waq h LEU 32 Cb 0.78 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2waq h LEU 32 CO 0.02 0.64 -0.64 0.50 0.09 0.00 0.00 178.44 179.05 2waq h LYS 33 N 0.95 0.71 -0.43 1.13 3.64 -1.52 0.19 116.57 121.25 2waq h LYS 33 Ca 0.25 -0.51 -0.12 0.00 -1.27 0.00 0.00 60.65 59.01 2waq h LYS 33 Cb -0.03 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2waq h LYS 33 CO -0.05 1.13 -0.20 0.93 -2.27 0.00 0.00 179.45 178.99 2waq h GLU 34 N 0.52 0.84 0.00 1.90 4.39 -1.37 -2.63 114.58 118.22 2waq h GLU 34 Ca -0.01 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.36 2waq h GLU 34 Cb 1.24 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2waq h GLU 34 CO 0.13 0.96 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.82 2waq h LEU 35 N 0.73 0.00 -1.26 1.33 3.38 -1.07 -3.48 115.31 114.95 2waq h LEU 35 Ca 0.10 -0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.73 2waq h LEU 35 Cb 0.72 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.62 2waq h LEU 35 CO 0.06 0.00 -0.67 0.61 0.09 0.00 0.00 178.44 178.52 2waq n GLY 36 N 1.12 -0.38 3.19 0.83 0.00 0.62 -5.02 105.19 105.56 2waq n GLY 36 Ca 0.04 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 2waq n GLY 36 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2waq s ILE 37 N -3.32 0.98 0.51 -0.61 -4.36 -0.91 -5.04 121.20 108.45 2waq s ILE 37 Ca 0.28 -1.74 -0.19 0.00 -0.26 0.00 0.00 60.65 58.74 2waq s ILE 37 Cb -0.12 -1.48 -0.07 0.00 1.25 0.00 0.00 42.46 42.04 2waq s ILE 37 CO 0.68 -0.61 1.06 -0.13 0.24 0.00 0.00 174.94 176.18 2waq s ARG 38 N -3.03 3.65 0.07 0.37 0.52 -1.26 -4.77 118.95 114.48 2waq s ARG 38 Ca 0.08 1.38 0.13 0.00 -0.52 0.00 0.00 55.73 56.80 2waq s ARG 38 Cb -0.01 -2.07 0.57 0.00 0.52 0.00 0.00 34.95 33.96 2waq s ARG 38 CO -0.00 -0.56 1.41 -0.35 0.02 0.00 0.00 175.30 175.81 2waq n PRO 39 N -1.19 0.04 0.19 3.54 -0.04 -1.26 -1.96 135.00 134.32 2waq n PRO 39 Ca 0.10 0.37 0.14 0.00 -0.04 0.00 0.00 63.50 64.07 2waq n PRO 39 Cb 0.52 -1.60 0.52 0.00 -0.04 0.00 0.00 33.50 32.90 2waq n PRO 39 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2waq h GLU 40 N 0.00 0.00 -1.12 0.54 3.07 -1.98 -3.28 114.58 111.82 2waq h GLU 40 Ca 0.00 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.49 2waq h GLU 40 Cb 0.19 0.00 -0.20 0.00 -0.84 0.00 0.00 28.75 27.90 2waq h GLU 40 CO 0.00 0.00 0.48 1.04 -1.40 0.00 0.00 179.01 179.13 2waq n GLN 41 N -2.63 1.91 -4.44 2.33 6.02 -0.83 -4.92 117.38 114.83 2waq n GLN 41 Ca 0.02 -2.03 -0.24 0.00 -0.01 0.00 0.00 57.00 54.75 2waq n GLN 41 Cb 0.31 -1.79 -0.09 0.00 1.02 0.00 0.00 30.24 29.68 2waq n GLN 41 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2waq s LEU 42 N -2.27 2.71 0.59 1.08 1.43 -1.24 -5.01 118.68 115.96 2waq s LEU 42 Ca 0.39 -0.95 0.30 0.00 -1.03 0.00 0.00 54.13 52.83 2waq s LEU 42 Cb 0.32 -1.22 1.37 0.00 0.03 0.00 0.00 46.19 46.69 2waq s LEU 42 CO 0.05 0.03 1.74 -0.65 0.23 0.00 0.00 176.35 177.75 2waq h PRO 43 N 2.20 0.00 -1.31 1.29 0.11 -1.89 -3.45 132.00 128.94 2waq h PRO 43 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2waq h PRO 43 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2waq h PRO 43 CO 0.60 0.00 -0.33 0.91 -0.21 0.00 0.00 178.00 178.97 2waq n TRP 44 N -3.65 -1.54 -4.01 0.65 8.01 -1.26 -4.93 117.44 110.70 2waq n TRP 44 Ca 0.14 0.82 -0.18 0.00 -1.31 0.00 0.00 57.50 56.98 2waq n TRP 44 Cb 0.96 -1.75 -0.16 0.00 -2.01 0.00 0.00 31.31 28.35 2waq n TRP 44 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 2waq s ILE 45 N -3.47 0.28 0.59 -0.99 1.01 -1.26 -4.74 121.20 112.63 2waq s ILE 45 Ca 0.00 0.01 -0.19 0.00 0.00 0.00 0.00 60.65 60.47 2waq s ILE 45 Cb 0.00 -0.35 -0.04 0.00 0.01 0.00 0.00 42.46 42.09 2waq s ILE 45 CO 0.00 0.16 1.23 -0.13 0.00 0.00 0.00 174.94 176.20 2waq s ARG 46 N 0.88 2.96 0.38 2.79 0.52 -1.26 -0.94 118.95 124.27 2waq s ARG 46 Ca -0.10 1.88 0.12 0.00 -0.52 0.00 0.00 55.73 57.12 2waq s ARG 46 Cb -0.13 -1.96 0.74 0.00 0.52 0.00 0.00 34.95 34.12 2waq s ARG 46 CO -0.01 -1.23 1.84 0.00 0.02 0.00 0.00 175.30 175.93 2waq h ALA 47 N 0.93 1.41 0.00 2.13 0.00 -1.93 -2.81 119.26 118.99 2waq h ALA 47 Ca -0.51 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.03 2waq h ALA 47 Cb 1.30 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2waq h ALA 47 CO 0.55 0.44 -0.32 0.77 0.00 0.00 0.00 179.25 180.69 2waq h SER 48 N 0.03 0.00 -1.94 0.00 0.02 -1.96 -3.38 113.55 106.32 2waq h SER 48 Ca 0.00 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.31 2waq h SER 48 Cb 0.61 0.00 0.05 0.00 0.14 0.00 0.00 62.40 63.19 2waq h SER 48 CO 0.04 0.32 0.74 -0.67 -1.14 0.00 0.00 176.83 176.12 2waq n ASP 49 N -3.47 2.55 -0.20 3.07 4.64 -1.06 -4.80 116.55 117.28 2waq n ASP 49 Ca 0.00 1.08 0.24 0.00 -1.38 0.00 0.00 54.79 54.73 2waq n ASP 49 Cb 0.49 -1.30 0.63 0.00 -1.04 0.00 0.00 41.12 39.90 2waq n ASP 49 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2waq h PRO 50 N 6.10 0.17 -0.14 -0.67 0.13 -1.89 -1.49 132.00 134.20 2waq h PRO 50 Ca -0.47 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 2waq h PRO 50 Cb 1.29 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 2waq h PRO 50 CO 0.87 0.11 -0.16 0.28 -0.23 0.00 0.00 178.00 178.87 2waq h VAL 51 N 0.17 1.35 0.00 1.56 2.07 -1.91 -1.08 116.25 118.41 2waq h VAL 51 Ca 0.44 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 2waq h VAL 51 Cb 1.46 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 33.13 2waq h VAL 51 CO -0.09 0.39 -0.13 0.00 0.02 0.00 0.00 177.57 177.77 2waq h ALA 52 N 0.60 1.48 -0.21 1.67 0.00 -1.59 0.24 119.26 121.45 2waq h ALA 52 Ca 0.02 -0.11 -0.21 0.00 0.00 0.00 0.00 54.91 54.61 2waq h ALA 52 Cb 0.70 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.48 2waq h ALA 52 CO 0.04 0.16 -0.67 0.00 0.00 0.00 0.00 179.25 178.78 2waq h ARG 53 N 0.00 0.83 -0.06 0.00 2.47 -1.28 -2.66 114.38 113.67 2waq h ARG 53 Ca -0.00 -0.61 -0.24 0.00 -1.26 0.00 0.00 59.98 57.87 2waq h ARG 53 Cb 0.28 0.10 0.01 0.00 -1.65 0.00 0.00 29.97 28.72 2waq h ARG 53 CO 0.02 1.23 -0.92 1.03 0.56 0.00 0.00 179.97 181.88 2waq h SER 54 N 0.59 0.88 1.07 7.04 0.87 -0.11 -3.23 113.55 120.66 2waq h SER 54 Ca -0.02 -0.65 0.00 0.00 -1.23 0.00 0.00 61.79 59.89 2waq h SER 54 Cb 1.29 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 2waq h SER 54 CO 0.14 1.45 -0.21 0.00 -0.53 0.00 0.00 176.83 177.68 2waq n ILE 55 N -3.88 0.29 -2.93 2.23 0.13 0.75 -5.01 119.36 110.94 2waq n ILE 55 Ca -0.09 -0.16 -0.08 0.00 -1.10 0.00 0.00 62.75 61.32 2waq n ILE 55 Cb 0.82 -0.34 0.01 0.00 -0.84 0.00 0.00 39.64 39.29 2waq n ILE 55 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 2waq n ASN 56 N -1.90 -7.51 -4.05 9.51 3.02 -1.02 -5.00 115.26 108.30 2waq n ASN 56 Ca 0.05 0.78 -0.24 0.00 -0.03 0.00 0.00 54.58 55.15 2waq n ASN 56 Cb 0.39 -4.40 -0.16 0.00 -0.61 0.00 0.00 39.78 35.00 2waq n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2waq s ALA 57 N -1.88 1.20 0.49 5.41 0.00 -1.10 -5.07 121.76 120.82 2waq s ALA 57 Ca 0.14 -0.47 -0.22 0.00 0.00 0.00 0.00 51.96 51.41 2waq s ALA 57 Cb -0.03 -0.46 -0.07 0.00 0.00 0.00 0.00 23.12 22.57 2waq s ALA 57 CO 0.69 0.18 1.18 0.15 0.00 0.00 0.00 175.76 177.95 2waq s LYS 58 N 0.30 3.58 -0.68 0.00 1.02 -1.26 -4.90 119.74 117.80 2waq s LYS 58 Ca -0.07 1.78 -0.19 0.00 0.02 0.00 0.00 55.97 57.51 2waq s LYS 58 Cb -0.12 -2.29 -0.16 0.00 -0.52 0.00 0.00 37.83 34.75 2waq s LYS 58 CO 0.02 -0.70 1.88 -2.30 -0.92 0.00 0.00 175.35 173.33 2waq n PRO 59 N -0.76 1.38 0.00 -1.68 -0.02 -1.26 -2.84 135.00 129.82 2waq n PRO 59 Ca 0.09 -1.63 0.00 0.00 -2.02 0.00 0.00 63.50 59.94 2waq n PRO 59 Cb 0.48 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 2waq n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2waq n GLY 60 N 4.43 0.02 3.77 -1.23 0.00 -1.26 -4.93 105.19 105.99 2waq n GLY 60 Ca 0.46 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 46.08 2waq n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2waq s ASP 61 N -1.21 6.19 -0.25 1.61 1.11 -1.13 -4.96 116.67 118.03 2waq s ASP 61 Ca 0.00 2.39 -0.11 0.00 0.18 0.00 0.00 52.55 55.00 2waq s ASP 61 Cb 0.00 -2.61 -0.05 0.00 1.07 0.00 0.00 42.92 41.33 2waq s ASP 61 CO 0.00 -0.91 0.21 0.27 1.18 0.00 0.00 175.17 175.92 2waq s ILE 62 N -1.46 5.31 0.37 0.77 -4.36 -1.26 -4.40 121.20 116.16 2waq s ILE 62 Ca 0.62 0.25 -0.26 0.00 -0.26 0.00 0.00 60.65 61.01 2waq s ILE 62 Cb -0.31 -3.55 -0.09 0.00 1.25 0.00 0.00 42.46 39.76 2waq s ILE 62 CO 0.38 0.29 1.09 -0.63 0.24 0.00 0.00 174.94 176.31 2waq s ILE 63 N 1.39 3.53 -0.17 8.37 1.09 -1.25 -3.37 121.20 130.78 2waq s ILE 63 Ca 0.09 1.29 0.01 0.00 -1.10 0.00 0.00 60.65 60.93 2waq s ILE 63 Cb -0.15 -3.72 0.01 0.00 -1.06 0.00 0.00 42.46 37.55 2waq s ILE 63 CO 0.07 0.12 -0.18 -0.60 -0.10 0.00 0.00 174.94 174.25 2waq s ARG 64 N -2.18 3.08 -0.21 2.79 3.52 -0.26 -0.79 118.95 124.90 2waq s ARG 64 Ca 0.54 -0.80 -0.05 0.00 -0.13 0.00 0.00 55.73 55.30 2waq s ARG 64 Cb -0.26 -2.61 -0.02 0.00 -1.56 0.00 0.00 34.95 30.50 2waq s ARG 64 CO 0.33 -0.14 -0.01 0.42 -0.81 0.00 0.00 175.30 175.10 2waq s ILE 65 N 1.16 3.80 -0.31 4.11 1.09 0.66 -0.39 121.20 131.33 2waq s ILE 65 Ca 0.01 -0.36 -0.10 0.00 -1.10 0.00 0.00 60.65 59.11 2waq s ILE 65 Cb -0.14 -2.73 -0.01 0.00 -1.06 0.00 0.00 42.46 38.52 2waq s ILE 65 CO -0.08 0.42 0.15 -0.63 -0.10 0.00 0.00 174.94 174.70 2waq s ILE 66 N 1.22 4.62 0.04 2.92 1.01 -0.88 -1.55 121.20 128.58 2waq s ILE 66 Ca 0.03 -0.38 0.08 0.00 0.00 0.00 0.00 60.65 60.39 2waq s ILE 66 Cb -0.15 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 2waq s ILE 66 CO 0.01 0.09 -0.24 0.00 0.00 0.00 0.00 174.94 174.80 2waq s ARG 67 N 1.62 1.64 -0.14 2.79 1.70 -1.03 -3.46 118.95 122.07 2waq s ARG 67 Ca 0.05 -1.00 -0.29 0.00 -0.47 0.00 0.00 55.73 54.01 2waq s ARG 67 Cb -0.17 -1.76 -0.04 0.00 -0.57 0.00 0.00 34.95 32.41 2waq s ARG 67 CO 0.06 0.46 1.69 0.15 -1.08 0.00 0.00 175.30 176.58 2waq s LYS 68 N -1.12 3.92 -0.26 3.89 1.02 -1.26 -2.26 119.74 123.67 2waq s LYS 68 Ca 0.10 1.95 -0.11 0.00 0.02 0.00 0.00 55.97 57.93 2waq s LYS 68 Cb -0.09 -4.05 -0.05 0.00 -0.52 0.00 0.00 37.83 33.12 2waq s LYS 68 CO 0.02 -1.15 0.17 0.45 -0.92 0.00 0.00 175.35 173.91 2waq s SER 69 N 4.17 6.03 0.59 2.83 0.15 0.69 -4.95 113.70 123.22 2waq s SER 69 Ca 0.75 0.04 0.37 0.00 0.70 0.00 0.00 55.95 57.81 2waq s SER 69 Cb -0.30 -2.10 1.71 0.00 -1.71 0.00 0.00 66.02 63.62 2waq s SER 69 CO 0.30 0.01 2.12 1.56 1.20 0.00 0.00 173.24 178.43 2waq h GLN 70 N 7.94 0.00 0.00 5.44 7.50 -1.94 -1.33 115.11 132.72 2waq h GLN 70 Ca -0.37 0.00 -0.38 0.00 0.50 0.00 0.00 58.65 58.41 2waq h GLN 70 Cb 1.18 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 28.65 2waq h GLN 70 CO 0.60 0.02 -2.32 1.28 -1.50 0.00 0.00 178.83 176.91 2waq n LEU 71 N -3.14 2.27 -0.28 1.46 4.77 -1.26 -4.79 117.00 116.04 2waq n LEU 71 Ca -0.01 0.11 0.03 0.00 -0.03 0.00 0.00 56.01 56.11 2waq n LEU 71 Cb 0.23 -0.75 0.07 0.00 -2.33 0.00 0.00 43.42 40.64 2waq n LEU 71 CO 0.25 0.67 0.56 0.00 -1.33 0.00 0.00 177.39 177.54 2waq n TYR 72 N -3.67 0.21 0.00 -1.77 4.19 -1.23 -5.03 117.16 109.86 2waq n TYR 72 Ca -0.44 -0.51 0.00 0.00 3.31 0.00 0.00 57.90 60.25 2waq n TYR 72 Cb 0.88 -0.05 0.00 0.00 0.49 0.00 0.00 39.34 40.66 2waq n TYR 72 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2waq n GLY 73 N -0.09 2.14 2.81 2.98 0.00 -0.50 -4.70 105.19 107.82 2waq n GLY 73 Ca 0.05 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 2waq n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2waq s GLU 74 N 0.00 0.06 -0.06 1.61 2.02 -1.26 -0.22 118.70 120.85 2waq s GLU 74 Ca 0.00 0.11 0.04 0.00 0.02 0.00 0.00 54.97 55.14 2waq s GLU 74 Cb 0.00 -0.26 0.00 0.00 0.10 0.00 0.00 34.13 33.97 2waq s GLU 74 CO 0.00 -0.12 -0.17 0.08 0.02 0.00 0.00 175.26 175.07 2waq s VAL 75 N 0.82 1.49 -0.24 2.63 1.01 -0.96 -4.89 120.40 120.26 2waq s VAL 75 Ca -0.07 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 2waq s VAL 75 Cb -0.10 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 2waq s VAL 75 CO -0.02 0.43 0.10 -0.69 0.00 0.00 0.00 175.10 174.92 2waq s VAL 76 N 0.24 4.71 0.31 2.92 1.01 -1.26 -2.46 120.40 125.87 2waq s VAL 76 Ca -0.09 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 61.89 2waq s VAL 76 Cb -0.14 -3.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.98 2waq s VAL 76 CO 0.04 0.34 0.03 -0.55 0.00 0.00 0.00 175.10 174.96 2waq s SER 77 N 1.38 2.46 0.23 3.32 0.15 -0.59 -4.99 113.70 115.65 2waq s SER 77 Ca 0.06 -1.33 0.02 0.00 0.70 0.00 0.00 55.95 55.40 2waq s SER 77 Cb -0.15 -0.11 -0.05 0.00 -1.71 0.00 0.00 66.02 64.01 2waq s SER 77 CO 0.05 -0.54 0.05 -0.31 1.20 0.00 0.00 173.24 173.68 2waq s TYR 78 N -3.23 1.47 0.00 3.44 1.51 -1.26 -0.24 117.35 119.03 2waq s TYR 78 Ca 0.34 -1.07 0.00 0.00 -1.01 0.00 0.00 57.07 55.34 2waq s TYR 78 Cb 0.08 -0.86 0.00 0.00 -0.11 0.00 0.00 41.96 41.07 2waq s TYR 78 CO 0.14 -0.22 0.00 0.54 -1.11 0.00 0.00 175.55 174.90 2waq n ARG 79 N -0.40 0.90 0.00 -0.62 5.12 0.03 -4.16 116.66 117.54 2waq n ARG 79 Ca -0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 2waq n ARG 79 Cb 0.65 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.95 2waq n ARG 79 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 2waq n TYR 80 N 0.00 0.00 -1.06 -1.55 4.19 -1.26 -3.95 117.16 113.52 2waq n TYR 80 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 2waq n TYR 80 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 2waq n TYR 80 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 2waq n VAL 81 N -1.03 -5.37 0.19 2.97 0.31 -1.21 -4.27 118.33 109.93 2waq n VAL 81 Ca 0.00 0.98 0.02 0.00 -0.01 0.00 0.00 64.34 65.33 2waq n VAL 81 Cb 0.09 -3.25 0.02 0.00 -0.91 0.00 0.00 33.84 29.79 2waq n VAL 81 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13