#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ywq s ILE 3 N 0.00 3.79 -0.85 -1.44 1.01 -1.26 -1.64 121.20 120.81 2ywq s ILE 3 Ca 0.00 0.65 0.26 0.00 0.00 0.00 0.00 60.65 61.55 2ywq s ILE 3 Cb 0.00 -4.53 0.09 0.00 0.01 0.00 0.00 42.46 38.03 2ywq s ILE 3 CO 0.00 -1.29 1.51 0.00 0.00 0.00 0.00 174.94 175.16 2ywq n TYR 4 N 9.51 0.28 -3.66 3.97 0.18 -0.82 -4.83 117.16 121.80 2ywq n TYR 4 Ca 0.11 0.08 -0.07 0.00 1.88 0.00 0.00 57.90 59.90 2ywq n TYR 4 Cb 0.49 -0.50 -0.08 0.00 -0.38 0.00 0.00 39.34 38.88 2ywq n TYR 4 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 2ywq s LYS 5 N -3.07 0.57 -0.19 -3.48 2.20 -1.24 -5.07 119.74 109.46 2ywq s LYS 5 Ca 0.10 1.16 -0.04 0.00 -0.36 0.00 0.00 55.97 56.82 2ywq s LYS 5 Cb 0.16 0.28 0.06 0.00 -1.51 0.00 0.00 37.83 36.82 2ywq s LYS 5 CO 0.67 -0.17 0.07 -1.17 -0.36 0.00 0.00 175.35 174.39 2ywq s LEU 6 N 1.96 0.72 0.22 5.43 2.96 -1.26 -0.59 118.68 128.11 2ywq s LEU 6 Ca -0.08 -0.77 0.04 0.00 -0.22 0.00 0.00 54.13 53.10 2ywq s LEU 6 Cb -0.08 -0.40 -0.05 0.00 0.50 0.00 0.00 46.19 46.16 2ywq s LEU 6 CO -0.17 -0.34 -0.05 0.27 -1.32 0.00 0.00 176.35 174.74 2ywq s ILE 7 N 2.02 1.20 -0.04 6.68 -4.36 -0.31 -4.97 121.20 121.43 2ywq s ILE 7 Ca 0.02 -2.07 -0.01 0.00 -0.26 0.00 0.00 60.65 58.33 2ywq s ILE 7 Cb -0.16 -2.22 0.03 0.00 1.25 0.00 0.00 42.46 41.36 2ywq s ILE 7 CO -0.11 -0.44 0.08 -0.83 0.24 0.00 0.00 174.94 173.87 2ywq s GLY 8 N -3.29 0.02 -0.11 6.27 0.00 -1.25 -0.36 107.32 108.60 2ywq s GLY 8 Ca 0.25 0.42 -0.15 0.00 0.00 0.00 0.00 44.72 45.24 2ywq s GLY 8 CO 0.07 0.70 0.37 0.50 0.00 0.00 0.00 173.10 174.74 2ywq s ARG 9 N 0.90 4.17 -1.67 2.90 0.52 0.21 -3.81 118.95 122.18 2ywq s ARG 9 Ca -0.07 0.28 -0.01 0.00 -0.52 0.00 0.00 55.73 55.41 2ywq s ARG 9 Cb -0.10 -3.37 0.00 0.00 0.52 0.00 0.00 34.95 32.00 2ywq s ARG 9 CO -0.03 0.34 0.07 0.09 0.02 0.00 0.00 175.30 175.78 2ywq n ASN 10 N 3.13 -5.66 -3.62 0.23 3.02 -1.26 -2.85 115.26 108.25 2ywq n ASN 10 Ca -0.11 -0.02 -0.15 0.00 -0.03 0.00 0.00 54.58 54.27 2ywq n ASN 10 Cb 0.52 -4.71 -0.07 0.00 -0.61 0.00 0.00 39.78 34.91 2ywq n ASN 10 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2ywq s LEU 11 N -6.06 -0.36 -0.25 3.41 0.20 -1.25 -4.62 118.68 109.76 2ywq s LEU 11 Ca 0.03 0.93 -0.07 0.00 0.69 0.00 0.00 54.13 55.71 2ywq s LEU 11 Cb -0.02 2.20 -0.03 0.00 -0.43 0.00 0.00 46.19 47.92 2ywq s LEU 11 CO 0.04 -0.39 0.07 -0.70 -0.29 0.00 0.00 176.35 175.08 2ywq s GLU 12 N -0.43 3.65 -0.40 1.98 2.12 -1.26 -4.38 118.70 119.98 2ywq s GLU 12 Ca -0.06 -0.48 -0.28 0.00 0.36 0.00 0.00 54.97 54.51 2ywq s GLU 12 Cb -0.03 -3.31 -0.00 0.00 0.26 0.00 0.00 34.13 31.04 2ywq s GLU 12 CO 0.05 -0.18 1.62 0.42 -0.54 0.00 0.00 175.26 176.63 2ywq s ILE 13 N 1.59 3.66 0.47 -3.70 -1.09 -1.26 -4.98 121.20 115.89 2ywq s ILE 13 Ca 0.06 0.65 0.08 0.00 -2.23 0.00 0.00 60.65 59.22 2ywq s ILE 13 Cb -0.15 -3.95 0.03 0.00 -1.58 0.00 0.00 42.46 36.82 2ywq s ILE 13 CO 0.03 -0.64 0.63 0.42 -1.23 0.00 0.00 174.94 174.16 2ywq s THR 14 N 6.38 2.66 0.32 2.92 -4.23 -1.26 -4.95 115.64 117.49 2ywq s THR 14 Ca 0.70 -1.03 0.06 0.00 -1.18 0.00 0.00 61.69 60.23 2ywq s THR 14 Cb -0.17 -2.70 0.10 0.00 1.34 0.00 0.00 72.50 71.07 2ywq s THR 14 CO 0.32 0.00 1.79 0.44 -0.54 0.00 0.00 174.62 176.63 2ywq h ASP 15 N 0.51 0.34 -0.46 3.99 3.45 -1.99 -0.53 116.42 121.73 2ywq h ASP 15 Ca -0.37 -0.10 -0.06 0.00 0.43 0.00 0.00 57.03 56.93 2ywq h ASP 15 Cb 1.28 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 39.94 2ywq h ASP 15 CO 0.45 0.58 0.05 0.00 -1.57 0.00 0.00 179.24 178.74 2ywq h ALA 16 N 1.45 0.62 -0.07 3.45 0.00 -1.99 -0.82 119.26 121.92 2ywq h ALA 16 Ca 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2ywq h ALA 16 Cb 0.57 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2ywq h ALA 16 CO 0.04 0.38 0.01 0.82 0.00 0.00 0.00 179.25 180.49 2ywq h ILE 17 N 0.65 1.22 -0.49 0.00 2.04 -1.89 -1.58 117.51 117.46 2ywq h ILE 17 Ca 0.14 -0.67 0.05 0.00 1.00 0.00 0.00 64.86 65.38 2ywq h ILE 17 Cb 0.43 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 2ywq h ILE 17 CO 0.01 0.19 0.21 -0.09 0.00 0.00 0.00 178.15 178.47 2ywq h ARG 18 N -0.14 0.41 -0.13 2.37 2.43 -0.99 -1.01 114.38 117.32 2ywq h ARG 18 Ca 0.02 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 2ywq h ARG 18 Cb 0.28 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2ywq h ARG 18 CO 0.00 0.27 -0.25 -0.44 -1.51 0.00 0.00 179.97 178.05 2ywq h ASP 19 N 0.42 0.22 0.34 -3.80 5.19 -1.12 -1.47 116.42 116.20 2ywq h ASP 19 Ca 0.22 -0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.55 2ywq h ASP 19 Cb 0.18 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.64 2ywq h ASP 19 CO -0.19 0.47 -0.16 0.22 -3.12 0.00 0.00 179.24 176.46 2ywq h TYR 20 N 0.20 -0.42 -0.94 4.55 3.20 -0.37 -1.26 116.97 121.94 2ywq h TYR 20 Ca 0.03 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.95 2ywq h TYR 20 Cb 0.55 0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.90 2ywq h TYR 20 CO 0.01 -0.11 0.61 0.28 -1.64 0.00 0.00 178.16 177.31 2ywq h VAL 21 N -0.74 1.10 -0.74 1.81 2.07 -1.12 -1.26 116.25 117.37 2ywq h VAL 21 Ca -0.05 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 2ywq h VAL 21 Cb 0.50 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 2ywq h VAL 21 CO 0.08 0.20 0.24 -0.08 0.02 0.00 0.00 177.57 178.03 2ywq h GLU 22 N 1.12 1.14 -0.12 1.57 4.81 -1.18 0.17 114.58 122.08 2ywq h GLU 22 Ca 0.40 -0.24 -0.15 0.00 -0.13 0.00 0.00 59.36 59.23 2ywq h GLU 22 Cb 0.13 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 2ywq h GLU 22 CO -0.14 0.97 -0.59 0.87 -0.73 0.00 0.00 179.01 179.39 2ywq h LYS 23 N 1.09 0.40 0.09 1.92 1.79 -0.60 -1.63 116.57 119.63 2ywq h LYS 23 Ca 0.24 -0.26 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2ywq h LYS 23 Cb 0.29 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2ywq h LYS 23 CO -0.01 0.87 -0.05 0.87 -1.08 0.00 0.00 179.45 180.05 2ywq h LYS 24 N 0.30 -0.12 -0.36 3.15 1.79 -0.97 -3.28 116.57 117.09 2ywq h LYS 24 Ca -0.00 0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.41 2ywq h LYS 24 Cb 1.11 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.77 2ywq h LYS 24 CO 0.10 0.33 -0.07 -0.07 -1.08 0.00 0.00 179.45 178.65 2ywq h LEU 25 N -0.63 0.57 -1.23 2.94 3.38 -0.72 -3.09 115.31 116.54 2ywq h LEU 25 Ca -0.01 -0.14 0.28 0.00 0.09 0.00 0.00 57.88 58.10 2ywq h LEU 25 Cb 0.51 -0.15 -0.11 0.00 0.09 0.00 0.00 40.66 40.99 2ywq h LEU 25 CO 0.02 0.70 0.66 0.00 0.09 0.00 0.00 178.44 179.90 2ywq h ALA 26 N 1.37 2.13 0.00 1.53 0.00 -1.35 0.19 119.26 123.13 2ywq h ALA 26 Ca 0.11 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2ywq h ALA 26 Cb 0.46 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2ywq h ALA 26 CO 0.02 -0.60 0.02 0.00 0.00 0.00 0.00 179.25 178.69 2ywq h ARG 27 N 0.41 0.00 0.00 0.00 3.08 -1.65 -2.55 114.38 113.67 2ywq h ARG 27 Ca 0.65 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.70 2ywq h ARG 27 Cb 1.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.61 2ywq h ARG 27 CO -0.39 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.79 2ywq n LEU 28 N -2.86 0.17 0.00 3.04 4.77 0.06 -3.67 117.00 118.49 2ywq n LEU 28 Ca -0.03 0.52 0.11 0.00 -0.03 0.00 0.00 56.01 56.58 2ywq n LEU 28 Cb 0.08 -0.47 0.63 0.00 -2.33 0.00 0.00 43.42 41.33 2ywq n LEU 28 CO 0.17 -0.05 0.85 0.47 -1.33 0.00 0.00 177.39 177.50 2ywq n ASP 29 N -1.66 0.00 -1.97 -1.43 8.00 -0.96 -3.72 116.55 114.81 2ywq n ASP 29 Ca 0.06 -1.00 -0.21 0.00 0.71 0.00 0.00 54.79 54.35 2ywq n ASP 29 Cb 0.35 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.60 2ywq n ASP 29 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2ywq n ARG 30 N -0.90 2.31 -0.01 -1.24 1.85 -1.24 -4.18 116.66 113.25 2ywq n ARG 30 Ca 0.16 -3.18 0.00 0.00 -1.00 0.00 0.00 57.85 53.83 2ywq n ARG 30 Cb 0.07 -2.12 0.00 0.00 -1.05 0.00 0.00 32.46 29.37 2ywq n ARG 30 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2ywq n TYR 31 N -1.07 0.00 0.00 2.89 4.01 -1.24 -5.07 117.16 116.67 2ywq n TYR 31 Ca 0.53 -0.18 0.00 0.00 -0.16 0.00 0.00 57.90 58.09 2ywq n TYR 31 Cb 1.27 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 40.28 2ywq n TYR 31 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ywq n GLN 32 N -0.18 0.00 0.00 -0.72 0.00 -1.26 -4.78 117.38 110.44 2ywq n GLN 32 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 57.00 57.11 2ywq n GLN 32 Cb 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 30.24 30.65 2ywq n GLN 32 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2ywq n ASP 33 N 0.00 0.97 -4.70 2.61 8.00 -1.26 -4.88 116.55 117.29 2ywq n ASP 33 Ca 0.00 -0.86 -0.30 0.00 0.71 0.00 0.00 54.79 54.34 2ywq n ASP 33 Cb 0.00 0.75 0.14 0.00 -0.02 0.00 0.00 41.12 41.99 2ywq n ASP 33 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2ywq s GLY 34 N -2.94 1.63 0.30 0.44 0.00 -1.26 -4.99 107.32 100.51 2ywq s GLY 34 Ca 0.10 0.10 -0.25 0.00 0.00 0.00 0.00 44.72 44.67 2ywq s GLY 34 CO 0.79 0.57 0.90 -0.54 0.00 0.00 0.00 173.10 174.82 2ywq s GLU 35 N -4.84 4.52 0.26 2.90 0.41 -1.26 -5.00 118.70 115.69 2ywq s GLU 35 Ca 0.64 1.24 0.00 0.00 -0.41 0.00 0.00 54.97 56.43 2ywq s GLU 35 Cb -0.19 -2.81 0.00 0.00 -1.78 0.00 0.00 34.13 29.34 2ywq s GLU 35 CO 0.58 0.30 0.00 1.28 -0.49 0.00 0.00 175.26 176.93 2ywq n LEU 36 N 0.59 0.00 -3.63 1.80 4.77 -1.26 -4.63 117.00 114.64 2ywq n LEU 36 Ca 0.01 -1.65 -0.04 0.00 -0.03 0.00 0.00 56.01 54.31 2ywq n LEU 36 Cb 0.50 0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.73 2ywq n LEU 36 CO 0.44 -0.24 1.09 0.00 -1.33 0.00 0.00 177.39 177.35 2ywq s ALA 38 N -2.45 -2.09 -0.11 -1.18 0.00 -0.65 -0.32 121.76 114.96 2ywq s ALA 38 Ca 0.00 1.84 0.03 0.00 0.00 0.00 0.00 51.96 53.83 2ywq s ALA 38 Cb -0.00 -1.36 0.01 0.00 0.00 0.00 0.00 23.12 21.76 2ywq s ALA 38 CO 0.00 -0.26 -0.21 0.21 0.00 0.00 0.00 175.76 175.50 2ywq s LYS 39 N -1.04 2.82 -0.09 0.00 2.20 -0.39 -1.94 119.74 121.30 2ywq s LYS 39 Ca 0.07 -0.79 0.03 0.00 -0.36 0.00 0.00 55.97 54.91 2ywq s LYS 39 Cb -0.01 -2.21 0.01 0.00 -1.51 0.00 0.00 37.83 34.11 2ywq s LYS 39 CO -0.06 0.08 -0.17 0.08 -0.36 0.00 0.00 175.35 174.92 2ywq s VAL 40 N 0.58 1.51 -0.21 4.02 1.01 0.24 -0.94 120.40 126.61 2ywq s VAL 40 Ca -0.14 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.17 2ywq s VAL 40 Cb -0.17 -1.35 0.04 0.00 0.00 0.00 0.00 36.38 34.90 2ywq s VAL 40 CO 0.04 0.44 -0.14 -0.69 0.00 0.00 0.00 175.10 174.75 2ywq s VAL 41 N 0.63 1.95 -0.14 2.92 1.01 0.34 -1.16 120.40 125.96 2ywq s VAL 41 Ca -0.14 -1.18 -0.04 0.00 0.00 0.00 0.00 61.98 60.61 2ywq s VAL 41 Cb -0.16 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 2ywq s VAL 41 CO 0.04 0.24 0.02 -0.76 0.00 0.00 0.00 175.10 174.64 2ywq s LEU 42 N 1.27 3.61 -0.10 3.92 1.43 0.51 -0.78 118.68 128.54 2ywq s LEU 42 Ca -0.01 0.07 -0.07 0.00 -1.03 0.00 0.00 54.13 53.08 2ywq s LEU 42 Cb -0.16 -1.87 0.04 0.00 0.03 0.00 0.00 46.19 44.23 2ywq s LEU 42 CO -0.09 0.26 0.26 -0.94 0.23 0.00 0.00 176.35 176.07 2ywq s SER 43 N -0.17 -0.27 -0.60 2.29 1.04 0.02 -0.62 113.70 115.38 2ywq s SER 43 Ca 0.06 0.53 -0.25 0.00 0.48 0.00 0.00 55.95 56.77 2ywq s SER 43 Cb -0.12 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.52 2ywq s SER 43 CO 0.02 -0.13 1.01 -0.76 0.98 0.00 0.00 173.24 174.36 2ywq s LEU 44 N 0.69 3.99 -1.25 2.42 2.01 -1.13 -0.29 118.68 125.11 2ywq s LEU 44 Ca -0.05 -0.46 -0.11 0.00 0.01 0.00 0.00 54.13 53.52 2ywq s LEU 44 Cb -0.06 -2.74 0.17 0.00 0.01 0.00 0.00 46.19 43.57 2ywq s LEU 44 CO -0.04 -1.37 1.72 0.00 1.01 0.00 0.00 176.35 177.67 2ywq n ALA 45 N 7.84 4.88 -2.50 4.21 0.00 -1.26 -4.90 120.51 128.77 2ywq n ALA 45 Ca 0.01 -4.30 -0.43 0.00 0.00 0.00 0.00 53.44 48.72 2ywq n ALA 45 Cb 0.47 -2.99 -0.08 0.00 0.00 0.00 0.00 19.45 16.85 2ywq n ALA 45 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ywq s GLY 46 N 1.45 1.82 0.07 0.00 0.00 -1.26 -4.74 107.32 104.66 2ywq s GLY 46 Ca 0.40 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.76 2ywq s GLY 46 CO 0.01 1.31 0.00 1.17 0.00 0.00 0.00 173.10 175.58 2ywq n LYS 53 N 5.85 -0.67 -4.21 2.90 3.00 -1.26 -5.29 118.16 118.48 2ywq n LYS 53 Ca -0.05 0.50 -0.19 0.00 -0.00 0.00 0.00 58.31 58.57 2ywq n LYS 53 Cb 0.48 -0.56 -0.12 0.00 0.00 0.00 0.00 35.03 34.83 2ywq n LYS 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ywq s ALA 54 N -1.93 1.35 -0.00 3.14 0.00 0.12 -4.60 121.76 119.85 2ywq s ALA 54 Ca 0.00 -1.13 0.04 0.00 0.00 0.00 0.00 51.96 50.87 2ywq s ALA 54 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 2ywq s ALA 54 CO 0.00 0.16 -0.12 0.50 0.00 0.00 0.00 175.76 176.31 2ywq s ARG 55 N -2.09 0.94 -0.18 0.00 3.52 0.60 -0.78 118.95 120.95 2ywq s ARG 55 Ca 0.03 -0.44 0.00 0.00 -0.13 0.00 0.00 55.73 55.19 2ywq s ARG 55 Cb -0.08 -0.91 0.04 0.00 -1.56 0.00 0.00 34.95 32.44 2ywq s ARG 55 CO 0.03 0.25 -0.10 0.00 -0.81 0.00 0.00 175.30 174.66 2ywq s ALA 56 N -0.33 1.87 -0.26 6.12 0.00 0.05 -0.80 121.76 128.42 2ywq s ALA 56 Ca 0.04 -1.08 -0.05 0.00 0.00 0.00 0.00 51.96 50.88 2ywq s ALA 56 Cb -0.05 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 21.87 2ywq s ALA 56 CO -0.00 -0.73 0.00 -1.21 0.00 0.00 0.00 175.76 173.82 2ywq s GLU 57 N 1.46 3.14 -0.05 0.00 2.02 0.04 -1.91 118.70 123.41 2ywq s GLU 57 Ca 0.00 -0.80 0.05 0.00 0.02 0.00 0.00 54.97 54.25 2ywq s GLU 57 Cb -0.15 -3.16 -0.01 0.00 0.10 0.00 0.00 34.13 30.91 2ywq s GLU 57 CO -0.09 -0.34 -0.22 0.42 0.02 0.00 0.00 175.26 175.06 2ywq s ILE 58 N 1.45 1.78 -0.10 -1.63 1.01 -0.58 -0.50 121.20 122.64 2ywq s ILE 58 Ca 0.03 -0.92 -0.00 0.00 0.00 0.00 0.00 60.65 59.76 2ywq s ILE 58 Cb -0.16 -1.51 0.02 0.00 0.01 0.00 0.00 42.46 40.82 2ywq s ILE 58 CO -0.01 0.50 -0.07 -1.58 0.00 0.00 0.00 174.94 173.78 2ywq s GLN 59 N -0.11 1.41 -0.16 2.79 0.74 -0.12 -1.00 119.66 123.21 2ywq s GLN 59 Ca -0.03 -0.23 -0.02 0.00 0.05 0.00 0.00 55.36 55.14 2ywq s GLN 59 Cb -0.12 -1.45 -0.01 0.00 1.10 0.00 0.00 33.01 32.52 2ywq s GLN 59 CO 0.03 -0.22 -0.09 0.08 -0.55 0.00 0.00 175.29 174.54 2ywq s VAL 60 N 1.55 3.29 -0.17 1.34 1.01 0.35 -1.26 120.40 126.51 2ywq s VAL 60 Ca 0.01 -0.56 -0.21 0.00 0.00 0.00 0.00 61.98 61.22 2ywq s VAL 60 Cb -0.13 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 2ywq s VAL 60 CO -0.06 0.49 0.65 -1.81 0.00 0.00 0.00 175.10 174.37 2ywq s ASP 61 N 0.68 6.75 0.44 3.32 1.11 -1.26 -1.61 116.67 126.10 2ywq s ASP 61 Ca -0.05 0.91 0.01 0.00 0.18 0.00 0.00 52.55 53.60 2ywq s ASP 61 Cb -0.15 -2.36 0.01 0.00 1.07 0.00 0.00 42.92 41.48 2ywq s ASP 61 CO 0.02 -0.25 0.05 0.18 1.18 0.00 0.00 175.17 176.36 2ywq n LEU 62 N 4.83 0.00 -4.68 1.23 4.32 -0.89 -4.46 117.00 117.36 2ywq n LEU 62 Ca -0.01 -2.70 -0.42 0.00 -0.02 0.00 0.00 56.01 52.86 2ywq n LEU 62 Cb 0.50 0.25 -0.03 0.00 -1.62 0.00 0.00 43.42 42.53 2ywq n LEU 62 CO 0.45 -0.41 1.07 -2.84 -1.22 0.00 0.00 177.39 174.43 2ywq s PRO 63 N -3.63 4.29 -1.40 3.23 0.02 -1.26 -3.14 135.00 133.10 2ywq s PRO 63 Ca 0.04 1.79 -0.05 0.00 0.02 0.00 0.00 61.00 62.80 2ywq s PRO 63 Cb -0.00 -3.65 0.03 0.00 0.02 0.00 0.00 34.50 30.90 2ywq s PRO 63 CO 0.03 -0.59 0.76 0.41 -0.33 0.00 0.00 177.00 177.28 2ywq n GLY 64 N 3.57 -0.35 0.00 0.52 0.00 -1.26 -4.91 105.19 102.77 2ywq n GLY 64 Ca 0.13 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2ywq n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ywq n GLY 65 N -1.66 -0.74 3.63 -0.02 0.00 -1.19 -5.17 105.19 100.05 2ywq n GLY 65 Ca -0.18 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 2ywq n GLY 65 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ywq s LEU 66 N 0.00 -0.41 -0.09 0.99 0.20 -1.26 -2.09 118.68 116.01 2ywq s LEU 66 Ca 0.00 0.74 -0.06 0.00 0.69 0.00 0.00 54.13 55.50 2ywq s LEU 66 Cb 0.00 1.82 0.04 0.00 -0.43 0.00 0.00 46.19 47.62 2ywq s LEU 66 CO 0.00 -0.17 0.23 0.54 -0.29 0.00 0.00 176.35 176.66 2ywq s VAL 67 N 0.01 -0.03 -0.06 1.68 0.11 -0.63 -4.98 120.40 116.50 2ywq s VAL 67 Ca 0.03 0.11 0.05 0.00 -2.93 0.00 0.00 61.98 59.23 2ywq s VAL 67 Cb -0.04 -0.35 -0.00 0.00 -1.53 0.00 0.00 36.38 34.46 2ywq s VAL 67 CO -0.06 0.04 -0.20 -0.60 -3.33 0.00 0.00 175.10 170.96 2ywq s ARG 68 N 0.90 2.18 0.10 1.54 3.52 -1.26 -0.49 118.95 125.43 2ywq s ARG 68 Ca -0.06 -0.72 0.08 0.00 -0.13 0.00 0.00 55.73 54.90 2ywq s ARG 68 Cb -0.08 -1.82 -0.03 0.00 -1.56 0.00 0.00 34.95 31.46 2ywq s ARG 68 CO -0.06 0.25 -0.21 0.14 -0.81 0.00 0.00 175.30 174.62 2ywq s VAL 69 N 0.08 1.73 -0.06 7.11 -7.23 -0.17 -5.00 120.40 116.86 2ywq s VAL 69 Ca -0.07 -1.53 -0.01 0.00 -1.81 0.00 0.00 61.98 58.57 2ywq s VAL 69 Cb -0.13 -1.57 0.03 0.00 0.56 0.00 0.00 36.38 35.26 2ywq s VAL 69 CO 0.04 -0.03 0.01 -1.61 -0.31 0.00 0.00 175.10 173.19 2ywq s GLU 70 N -1.86 0.49 0.15 4.82 2.02 -1.26 -1.52 118.70 121.54 2ywq s GLU 70 Ca 0.07 0.12 0.05 0.00 0.02 0.00 0.00 54.97 55.23 2ywq s GLU 70 Cb -0.10 -0.82 -0.04 0.00 0.10 0.00 0.00 34.13 33.26 2ywq s GLU 70 CO 0.04 -0.26 -0.11 -1.21 0.02 0.00 0.00 175.26 173.74 2ywq s GLU 71 N 1.76 1.07 0.11 1.61 0.41 -0.80 -5.00 118.70 117.86 2ywq s GLU 71 Ca 0.01 -1.42 0.04 0.00 -0.41 0.00 0.00 54.97 53.19 2ywq s GLU 71 Cb -0.13 -0.71 -0.04 0.00 -1.78 0.00 0.00 34.13 31.48 2ywq s GLU 71 CO -0.04 0.10 -0.09 -1.21 -0.49 0.00 0.00 175.26 173.53 2ywq s GLU 72 N -3.53 0.90 0.27 1.61 2.02 -1.26 -0.77 118.70 117.94 2ywq s GLU 72 Ca 0.16 -1.27 -0.19 0.00 0.02 0.00 0.00 54.97 53.69 2ywq s GLU 72 Cb 0.01 -0.49 0.07 0.00 0.10 0.00 0.00 34.13 33.81 2ywq s GLU 72 CO 0.02 0.06 0.94 0.34 0.02 0.00 0.00 175.26 176.63 2ywq s ASP 73 N -2.74 0.01 0.52 -0.19 -1.08 0.04 -4.75 116.67 108.47 2ywq s ASP 73 Ca 0.09 -0.88 0.29 0.00 -0.52 0.00 0.00 52.55 51.54 2ywq s ASP 73 Cb 0.00 0.65 1.43 0.00 -1.46 0.00 0.00 42.92 43.54 2ywq s ASP 73 CO -0.01 -1.29 2.05 0.00 0.52 0.00 0.00 175.17 176.44 2ywq h ALA 74 N 2.00 1.20 -2.55 3.66 0.00 -1.95 0.34 119.26 121.96 2ywq h ALA 74 Ca -0.30 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 2ywq h ALA 74 Cb 1.23 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.85 2ywq h ALA 74 CO 0.38 0.15 -0.34 0.16 0.00 0.00 0.00 179.25 179.59 2ywq s ASP 75 N -6.05 0.03 0.22 0.00 1.47 -1.26 -4.21 116.67 106.87 2ywq s ASP 75 Ca -0.02 -0.47 -0.14 0.00 1.18 0.00 0.00 52.55 53.10 2ywq s ASP 75 Cb 0.12 0.33 0.25 0.00 -0.34 0.00 0.00 42.92 43.29 2ywq s ASP 75 CO 0.58 -0.66 1.61 0.25 0.68 0.00 0.00 175.17 177.62 2ywq h LEU 76 N 3.04 -0.77 -1.60 2.11 5.85 -1.91 -1.13 115.31 120.91 2ywq h LEU 76 Ca -0.33 0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 2ywq h LEU 76 Cb 1.20 0.47 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 2ywq h LEU 76 CO 0.51 -0.25 -0.16 1.88 -0.34 0.00 0.00 178.44 180.09 2ywq h TYR 77 N -0.03 0.06 -0.14 1.25 0.05 -1.98 -2.11 116.97 114.07 2ywq h TYR 77 Ca 0.32 -0.01 -0.17 0.00 0.05 0.00 0.00 58.73 58.92 2ywq h TYR 77 Cb 0.53 -0.02 0.01 0.00 1.01 0.00 0.00 36.73 38.26 2ywq h TYR 77 CO -0.59 0.22 -0.59 0.00 -1.05 0.00 0.00 178.16 176.15 2ywq h ALA 78 N 1.79 0.26 -0.16 3.88 0.00 -1.63 -2.20 119.26 121.19 2ywq h ALA 78 Ca 0.01 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 2ywq h ALA 78 Cb 0.32 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2ywq h ALA 78 CO 0.02 0.51 0.10 0.00 0.00 0.00 0.00 179.25 179.87 2ywq h ALA 79 N 0.52 0.20 -0.24 0.00 0.00 -1.15 -1.34 119.26 117.25 2ywq h ALA 79 Ca -0.03 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2ywq h ALA 79 Cb 1.23 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2ywq h ALA 79 CO 0.12 -0.30 -0.00 0.82 0.00 0.00 0.00 179.25 179.90 2ywq h ILE 80 N 0.19 0.83 -1.00 0.00 2.04 -1.41 0.14 117.51 118.30 2ywq h ILE 80 Ca 0.06 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 65.98 2ywq h ILE 80 Cb 0.02 0.75 -0.07 0.00 -0.74 0.00 0.00 36.82 36.77 2ywq h ILE 80 CO -0.01 0.01 0.64 0.44 0.00 0.00 0.00 178.15 179.23 2ywq h ASP 81 N 0.07 0.98 -0.02 1.72 3.45 -1.13 -0.20 116.42 121.30 2ywq h ASP 81 Ca 0.11 0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.59 2ywq h ASP 81 Cb 0.14 -0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 38.73 2ywq h ASP 81 CO -0.19 0.59 0.00 -0.09 -1.57 0.00 0.00 179.24 177.98 2ywq h ARG 82 N 1.09 0.03 -0.49 3.56 2.43 -0.13 -1.40 114.38 119.47 2ywq h ARG 82 Ca 0.46 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.64 2ywq h ARG 82 Cb 0.30 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 2ywq h ARG 82 CO -0.21 0.31 0.28 0.00 -1.51 0.00 0.00 179.97 178.84 2ywq h ALA 83 N 0.72 0.62 -0.04 2.80 0.00 -0.27 -2.05 119.26 121.05 2ywq h ALA 83 Ca 0.01 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2ywq h ALA 83 Cb 0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2ywq h ALA 83 CO 0.00 -0.03 -0.31 0.28 0.00 0.00 0.00 179.25 179.19 2ywq h VAL 84 N 0.56 1.24 -0.24 0.00 2.07 -0.99 -0.66 116.25 118.22 2ywq h VAL 84 Ca 0.20 -1.12 -0.10 0.00 0.82 0.00 0.00 66.70 66.51 2ywq h VAL 84 Cb 0.04 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2ywq h VAL 84 CO -0.10 0.32 -0.22 0.44 0.02 0.00 0.00 177.57 178.03 2ywq h ASP 85 N 0.06 0.61 -0.34 0.57 3.45 -0.64 0.47 116.42 120.60 2ywq h ASP 85 Ca 0.01 -0.47 -0.09 0.00 0.43 0.00 0.00 57.03 56.91 2ywq h ASP 85 Cb 0.58 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.16 2ywq h ASP 85 CO 0.04 0.95 -0.10 0.03 -1.57 0.00 0.00 179.24 178.60 2ywq h ARG 86 N 0.27 0.77 -0.28 3.56 2.47 -1.23 -2.18 114.38 117.76 2ywq h ARG 86 Ca 0.04 -0.25 -0.03 0.00 -1.26 0.00 0.00 59.98 58.48 2ywq h ARG 86 Cb 0.77 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.01 2ywq h ARG 86 CO 0.06 0.84 0.05 1.25 0.56 0.00 0.00 179.97 182.73 2ywq h LEU 87 N 0.70 0.43 -1.67 3.04 5.85 -0.98 -1.27 115.31 121.41 2ywq h LEU 87 Ca 0.12 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.61 2ywq h LEU 87 Cb 0.57 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 2ywq h LEU 87 CO 0.04 0.57 0.25 -0.08 -0.34 0.00 0.00 178.44 178.88 2ywq h GLU 88 N 0.28 0.43 -0.10 1.25 4.81 -0.67 0.19 114.58 120.76 2ywq h GLU 88 Ca 0.08 -0.03 -0.24 0.00 -0.13 0.00 0.00 59.36 59.05 2ywq h GLU 88 Cb 0.32 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.62 2ywq h GLU 88 CO 0.00 0.28 -0.87 1.15 -0.73 0.00 0.00 179.01 178.85 2ywq h THR 89 N 0.44 1.28 0.08 0.32 2.02 -1.08 -2.74 112.91 113.22 2ywq h THR 89 Ca 0.15 -2.07 -0.00 0.00 0.77 0.00 0.00 66.41 65.26 2ywq h THR 89 Cb 0.06 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 2ywq h THR 89 CO -0.03 0.65 -0.04 1.56 0.37 0.00 0.00 175.52 178.03 2ywq h GLN 90 N 0.49 -0.10 -0.77 6.66 1.08 -0.54 -3.21 115.11 118.72 2ywq h GLN 90 Ca -0.08 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.21 2ywq h GLN 90 Cb 1.50 0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 28.89 2ywq h GLN 90 CO 0.17 0.38 0.44 0.28 -0.95 0.00 0.00 178.83 179.15 2ywq h VAL 91 N -0.65 0.94 -0.59 -0.54 2.07 -0.75 -1.86 116.25 114.86 2ywq h VAL 91 Ca -0.01 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 2ywq h VAL 91 Cb 0.53 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2ywq h VAL 91 CO 0.02 0.14 0.07 0.07 0.02 0.00 0.00 177.57 177.89 2ywq h LYS 92 N 0.77 0.99 0.00 1.57 2.10 -1.59 -1.97 116.57 118.44 2ywq h LYS 92 Ca 0.36 -0.28 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 2ywq h LYS 92 Cb 0.28 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 2ywq h LYS 92 CO -0.22 0.95 0.00 0.54 -2.00 0.00 0.00 179.45 178.72 2ywq n ARG 93 N -4.29 0.07 0.27 0.07 5.12 -1.00 -2.23 116.66 114.68 2ywq n ARG 93 Ca 0.03 0.16 0.17 0.00 -1.93 0.00 0.00 57.85 56.27 2ywq n ARG 93 Cb 0.29 -1.50 0.68 0.00 -1.16 0.00 0.00 32.46 30.77 2ywq n ARG 93 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 2ywq h PHE 94 N 0.00 0.00 0.00 -1.55 3.57 -0.53 -3.51 116.94 114.92 2ywq h PHE 94 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2ywq h PHE 94 Cb 0.29 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.03 2ywq h PHE 94 CO 0.00 0.02 0.00 -2.13 -2.23 0.00 0.00 178.31 173.97