#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 4.20 -0.62 -1.44 1.01 -1.26 -1.24 121.20 121.84 2ywq s ILE 3 Ca 0.00 -0.34 0.25 0.00 0.00 0.00 0.00 60.65 60.56 2ywq s ILE 3 Cb 0.00 -4.78 0.30 0.00 0.01 0.00 0.00 42.46 37.99 2ywq s ILE 3 CO 0.00 -1.59 1.74 0.10 0.00 0.00 0.00 174.94 175.19 2ywq h TYR 4 N 9.61 0.00 -2.37 3.97 -0.00 -1.88 -3.44 116.97 122.86 2ywq h TYR 4 Ca -0.20 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.48 2ywq h TYR 4 Cb 1.06 0.00 -0.25 0.00 0.00 0.00 0.00 36.73 37.54 2ywq h TYR 4 CO 1.05 0.00 -0.25 0.21 -0.00 0.00 0.00 178.16 179.17 2ywq s LYS 5 N -3.16 0.44 -0.16 0.10 2.20 -1.25 -5.08 119.74 112.83 2ywq s LYS 5 Ca 0.09 1.09 -0.03 0.00 -0.36 0.00 0.00 55.97 56.76 2ywq s LYS 5 Cb 0.10 0.33 0.05 0.00 -1.51 0.00 0.00 37.83 36.81 2ywq s LYS 5 CO 0.60 -0.21 0.05 -1.17 -0.36 0.00 0.00 175.35 174.26 2ywq s LEU 6 N 2.26 0.83 0.18 5.43 2.96 -1.26 -0.62 118.68 128.47 2ywq s LEU 6 Ca -0.05 -0.62 0.03 0.00 -0.22 0.00 0.00 54.13 53.26 2ywq s LEU 6 Cb -0.10 -0.46 -0.05 0.00 0.50 0.00 0.00 46.19 46.08 2ywq s LEU 6 CO -0.15 -0.30 -0.03 0.27 -1.32 0.00 0.00 176.35 174.82 2ywq s ILE 7 N 1.96 0.93 -0.03 6.68 -4.36 -0.29 -4.98 121.20 121.10 2ywq s ILE 7 Ca 0.01 -2.02 0.01 0.00 -0.26 0.00 0.00 60.65 58.39 2ywq s ILE 7 Cb -0.16 -2.08 0.02 0.00 1.25 0.00 0.00 42.46 41.49 2ywq s ILE 7 CO -0.08 -0.53 -0.03 -0.83 0.24 0.00 0.00 174.94 173.71 2ywq s GLY 8 N -3.20 0.34 -0.21 6.27 0.00 -1.26 -0.55 107.32 108.71 2ywq s GLY 8 Ca 0.22 -0.01 -0.14 0.00 0.00 0.00 0.00 44.72 44.79 2ywq s GLY 8 CO 0.04 0.36 0.33 0.50 0.00 0.00 0.00 173.10 174.32 2ywq s ARG 9 N 0.72 4.15 -1.51 2.90 0.52 0.62 -3.92 118.95 122.43 2ywq s ARG 9 Ca -0.09 0.06 -0.00 0.00 -0.52 0.00 0.00 55.73 55.19 2ywq s ARG 9 Cb -0.12 -3.53 0.00 0.00 0.52 0.00 0.00 34.95 31.82 2ywq s ARG 9 CO -0.00 0.00 0.02 0.09 0.02 0.00 0.00 175.30 175.42 2ywq n ASN 10 N 4.38 -5.19 -3.54 0.23 3.02 -1.26 -2.72 115.26 110.18 2ywq n ASN 10 Ca -0.10 -0.02 -0.17 0.00 -0.03 0.00 0.00 54.58 54.25 2ywq n ASN 10 Cb 0.51 -4.27 -0.06 0.00 -0.61 0.00 0.00 39.78 35.36 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 -5.13 -0.67 -0.19 3.41 0.20 -1.25 -4.68 118.68 110.37 2ywq s LEU 11 Ca 0.01 0.85 -0.06 0.00 0.69 0.00 0.00 54.13 55.61 2ywq s LEU 11 Cb -0.00 2.53 -0.03 0.00 -0.43 0.00 0.00 46.19 48.25 2ywq s LEU 11 CO 0.01 -0.55 0.03 -0.70 -0.29 0.00 0.00 176.35 174.85 2ywq s GLU 12 N -0.92 3.81 -0.66 1.98 2.12 -1.26 -4.38 118.70 119.39 2ywq s GLU 12 Ca -0.09 -0.43 -0.28 0.00 0.36 0.00 0.00 54.97 54.54 2ywq s GLU 12 Cb -0.01 -3.13 0.03 0.00 0.26 0.00 0.00 34.13 31.27 2ywq s GLU 12 CO 0.08 0.17 1.28 0.42 -0.54 0.00 0.00 175.26 176.67 2ywq s ILE 13 N 0.61 3.83 0.64 -3.70 -1.09 -1.26 -5.00 121.20 115.23 2ywq s ILE 13 Ca 0.01 0.62 0.01 0.00 -2.23 0.00 0.00 60.65 59.06 2ywq s ILE 13 Cb -0.13 -4.78 0.08 0.00 -1.58 0.00 0.00 42.46 36.05 2ywq s ILE 13 CO 0.02 -1.57 0.89 0.42 -1.23 0.00 0.00 174.94 173.46 2ywq s THR 14 N 5.56 2.36 0.36 2.92 -4.23 -1.26 -4.91 115.64 116.44 2ywq s THR 14 Ca 0.41 -0.65 0.12 0.00 -1.18 0.00 0.00 61.69 60.39 2ywq s THR 14 Cb -0.08 -2.71 0.08 0.00 1.34 0.00 0.00 72.50 71.12 2ywq s THR 14 CO 0.20 0.00 1.80 0.44 -0.54 0.00 0.00 174.62 176.52 2ywq h ASP 15 N -0.23 0.03 -0.56 3.99 3.45 -1.98 -0.89 116.42 120.23 2ywq h ASP 15 Ca -0.38 -0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.00 2ywq h ASP 15 Cb 1.28 -0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 40.02 2ywq h ASP 15 CO 0.46 0.42 0.09 0.00 -1.57 0.00 0.00 179.24 178.63 2ywq h ALA 16 N 1.58 0.74 -0.14 3.45 0.00 -1.99 -0.61 119.26 122.30 2ywq h ALA 16 Ca -0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2ywq h ALA 16 Cb 0.70 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2ywq h ALA 16 CO 0.05 0.49 -0.15 0.82 0.00 0.00 0.00 179.25 180.46 2ywq h ILE 17 N 0.82 1.35 -0.92 0.00 2.04 -1.88 -2.04 117.51 116.89 2ywq h ILE 17 Ca 0.17 -1.33 0.04 0.00 1.00 0.00 0.00 64.86 64.74 2ywq h ILE 17 Cb 0.41 1.91 -0.05 0.00 -0.74 0.00 0.00 36.82 38.34 2ywq h ILE 17 CO 0.01 0.39 0.59 -0.09 0.00 0.00 0.00 178.15 179.05 2ywq h ARG 18 N -0.03 1.11 -0.43 2.37 2.43 -1.08 -0.72 114.38 118.03 2ywq h ARG 18 Ca 0.02 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 2ywq h ARG 18 Cb 0.69 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 2ywq h ARG 18 CO 0.04 0.74 -0.18 -0.44 -1.51 0.00 0.00 179.97 178.61 2ywq h ASP 19 N 1.15 0.85 0.66 -3.80 5.19 -1.09 0.13 116.42 119.50 2ywq h ASP 19 Ca 0.37 -0.29 -0.03 0.00 -0.62 0.00 0.00 57.03 56.45 2ywq h ASP 19 Cb 0.01 -0.23 0.01 0.00 0.18 0.00 0.00 39.33 39.30 2ywq h ASP 19 CO -0.12 1.01 -0.32 0.22 -3.12 0.00 0.00 179.24 176.91 2ywq h TYR 20 N 0.74 -0.82 -0.98 4.55 3.20 -0.60 0.29 116.97 123.35 2ywq h TYR 20 Ca 0.11 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.08 2ywq h TYR 20 Cb 0.70 0.27 -0.08 0.00 1.54 0.00 0.00 36.73 39.16 2ywq h TYR 20 CO 0.04 -0.48 0.62 0.28 -1.64 0.00 0.00 178.16 176.98 2ywq h VAL 21 N -1.01 0.92 -0.01 1.81 2.07 -1.11 0.55 116.25 119.48 2ywq h VAL 21 Ca -0.09 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 2ywq h VAL 21 Cb 0.71 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2ywq h VAL 21 CO 0.15 0.17 0.00 -0.08 0.02 0.00 0.00 177.57 177.83 2ywq h GLU 22 N 0.95 0.01 -0.95 1.57 4.81 -0.73 -0.36 114.58 119.89 2ywq h GLU 22 Ca 0.48 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.71 2ywq h GLU 22 Cb 0.50 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.83 2ywq h GLU 22 CO -0.24 0.27 0.61 -0.22 -0.73 0.00 0.00 179.01 178.69 2ywq h LYS 23 N -0.25 1.26 -0.26 1.92 3.64 0.29 -2.00 116.57 121.17 2ywq h LYS 23 Ca 0.00 -0.09 -0.10 0.00 -1.27 0.00 0.00 60.65 59.19 2ywq h LYS 23 Cb 0.27 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2ywq h LYS 23 CO 0.00 0.85 -0.25 0.87 -2.27 0.00 0.00 179.45 178.66 2ywq h LYS 24 N 1.29 0.62 0.00 1.90 1.79 -0.83 -3.25 116.57 118.09 2ywq h LYS 24 Ca 0.34 -0.32 -0.05 0.00 -2.18 0.00 0.00 60.65 58.44 2ywq h LYS 24 Cb -0.12 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 2ywq h LYS 24 CO -0.07 0.92 -0.22 -0.07 -1.08 0.00 0.00 179.45 178.93 2ywq h LEU 25 N 0.34 0.00 -1.80 2.94 3.38 -0.91 -3.14 115.31 116.13 2ywq h LEU 25 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2ywq h LEU 25 Cb 0.80 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 2ywq h LEU 25 CO 0.06 0.22 -0.14 0.00 0.09 0.00 0.00 178.44 178.68 2ywq h ALA 26 N 1.78 1.63 -0.01 1.53 0.00 -1.40 -2.33 119.26 120.46 2ywq h ALA 26 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2ywq h ALA 26 Cb 0.80 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2ywq h ALA 26 CO 0.03 0.17 0.02 0.00 0.00 0.00 0.00 179.25 179.47 2ywq h ARG 27 N 0.00 0.00 0.00 0.00 3.08 -1.68 -1.18 114.38 114.59 2ywq h ARG 27 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2ywq h ARG 27 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2ywq h ARG 27 CO 0.02 0.00 -0.24 -0.07 -1.07 0.00 0.00 179.97 178.60 2ywq h LEU 28 N 0.00 0.00 -1.58 3.04 3.38 -1.64 -3.28 115.31 115.24 2ywq h LEU 28 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ywq h LEU 28 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2ywq h LEU 28 CO -0.00 0.24 0.00 0.44 0.09 0.00 0.00 178.44 179.21 2ywq h ASP 29 N 0.00 0.00 -0.66 -0.43 3.32 -1.37 -2.75 116.42 114.53 2ywq h ASP 29 Ca -0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.70 2ywq h ASP 29 Cb 1.06 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.40 2ywq h ASP 29 CO 0.03 0.00 0.44 -2.11 -1.72 0.00 0.00 179.24 175.88 2ywq n ARG 30 N -2.36 1.84 0.00 3.56 1.85 -1.24 -3.88 116.66 116.43 2ywq n ARG 30 Ca -0.01 -2.00 0.00 0.00 -1.00 0.00 0.00 57.85 54.83 2ywq n ARG 30 Cb 0.05 -1.79 0.00 0.00 -1.05 0.00 0.00 32.46 29.68 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 -0.59 0.00 -3.60 2.89 4.01 -1.04 -5.07 117.16 113.76 2ywq n TYR 31 Ca 0.40 -0.07 -0.05 0.00 -0.16 0.00 0.00 57.90 58.02 2ywq n TYR 31 Cb 1.28 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 40.28 2ywq n TYR 31 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 2ywq s GLN 32 N -0.14 0.32 0.06 -0.72 0.00 -1.25 -4.95 119.66 112.98 2ywq s GLN 32 Ca 0.00 -0.06 -0.01 0.00 -0.00 0.00 0.00 55.36 55.29 2ywq s GLN 32 Cb 0.00 0.15 -0.26 0.00 0.00 0.00 0.00 33.01 32.89 2ywq s GLN 32 CO 0.00 -0.13 1.08 -0.44 0.00 0.00 0.00 175.29 175.80 2ywq h ASP 33 N 2.09 0.31 -3.79 12.60 3.32 -1.98 -3.47 116.42 125.50 2ywq h ASP 33 Ca -0.11 -0.36 -0.52 0.00 0.02 0.00 0.00 57.03 56.06 2ywq h ASP 33 Cb 1.17 -0.10 0.21 0.00 0.22 0.00 0.00 39.33 40.83 2ywq h ASP 33 CO 0.24 1.29 -0.21 0.61 -1.72 0.00 0.00 179.24 179.45 2ywq n GLY 34 N 1.53 -1.27 3.79 2.75 0.00 -1.26 -4.96 105.19 105.77 2ywq n GLY 34 Ca -0.09 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 2ywq n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ywq s GLU 35 N -4.10 4.47 0.23 1.61 0.41 -1.26 -5.00 118.70 115.07 2ywq s GLU 35 Ca 0.62 1.12 0.01 0.00 -0.41 0.00 0.00 54.97 56.30 2ywq s GLU 35 Cb -0.22 -2.98 0.01 0.00 -1.78 0.00 0.00 34.13 29.16 2ywq s GLU 35 CO 0.63 0.41 0.07 1.28 -0.49 0.00 0.00 175.26 177.16 2ywq n LEU 36 N 0.94 0.00 -3.65 1.80 4.77 -1.26 -4.67 117.00 114.93 2ywq n LEU 36 Ca -0.02 -1.36 -0.01 0.00 -0.03 0.00 0.00 56.01 54.58 2ywq n LEU 36 Cb 0.50 0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.64 2ywq n LEU 36 CO 0.45 -0.28 1.19 0.00 -1.33 0.00 0.00 177.39 177.41 2ywq s ALA 38 N -2.37 -2.14 -0.13 -1.18 0.00 -0.38 -0.43 121.76 115.14 2ywq s ALA 38 Ca 0.05 1.91 0.03 0.00 0.00 0.00 0.00 51.96 53.95 2ywq s ALA 38 Cb -0.00 -1.60 0.01 0.00 0.00 0.00 0.00 23.12 21.53 2ywq s ALA 38 CO 0.03 -0.23 -0.21 0.21 0.00 0.00 0.00 175.76 175.57 2ywq s LYS 39 N -0.97 2.83 -0.10 0.00 2.20 0.09 -2.34 119.74 121.45 2ywq s LYS 39 Ca 0.10 -0.79 0.03 0.00 -0.36 0.00 0.00 55.97 54.95 2ywq s LYS 39 Cb -0.01 -2.28 0.01 0.00 -1.51 0.00 0.00 37.83 34.04 2ywq s LYS 39 CO -0.09 0.00 -0.19 0.08 -0.36 0.00 0.00 175.35 174.79 2ywq s VAL 40 N 0.78 1.71 -0.21 4.02 1.01 0.21 -1.42 120.40 126.51 2ywq s VAL 40 Ca -0.09 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.10 2ywq s VAL 40 Cb -0.16 -1.52 0.03 0.00 0.00 0.00 0.00 36.38 34.73 2ywq s VAL 40 CO -0.00 0.48 -0.15 -0.69 0.00 0.00 0.00 175.10 174.74 2ywq s VAL 41 N 0.65 2.29 -0.15 2.92 1.01 0.59 -1.14 120.40 126.57 2ywq s VAL 41 Ca -0.13 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 60.73 2ywq s VAL 41 Cb -0.16 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 2ywq s VAL 41 CO 0.03 0.35 -0.06 -0.76 0.00 0.00 0.00 175.10 174.66 2ywq s LEU 42 N 1.26 3.12 0.04 3.92 1.43 0.29 -0.37 118.68 128.37 2ywq s LEU 42 Ca 0.01 -0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 52.93 2ywq s LEU 42 Cb -0.15 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 2ywq s LEU 42 CO -0.09 0.16 -0.04 -0.94 0.23 0.00 0.00 176.35 175.67 2ywq s SER 43 N 0.40 0.48 -0.31 2.29 1.04 0.06 -0.28 113.70 117.39 2ywq s SER 43 Ca -0.05 -0.79 -0.02 0.00 0.48 0.00 0.00 55.95 55.57 2ywq s SER 43 Cb -0.15 0.14 0.05 0.00 0.10 0.00 0.00 66.02 66.17 2ywq s SER 43 CO 0.03 -0.45 0.02 -0.76 0.98 0.00 0.00 173.24 173.06 2ywq s LEU 44 N -2.32 4.00 -1.43 2.42 2.01 -1.10 0.07 118.68 122.33 2ywq s LEU 44 Ca -0.02 -1.31 -0.12 0.00 0.01 0.00 0.00 54.13 52.69 2ywq s LEU 44 Cb 0.00 -1.73 0.06 0.00 0.01 0.00 0.00 46.19 44.53 2ywq s LEU 44 CO -0.06 -0.28 2.26 0.00 1.01 0.00 0.00 176.35 179.29 2ywq n ALA 45 N 4.63 5.88 -1.55 4.21 0.00 -1.26 -4.91 120.51 127.50 2ywq n ALA 45 Ca -0.12 -3.95 -0.13 0.00 0.00 0.00 0.00 53.44 49.24 2ywq n ALA 45 Cb 0.43 -3.34 -0.10 0.00 0.00 0.00 0.00 19.45 16.44 2ywq n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ywq n GLY 46 N 3.57 -0.33 0.13 0.00 0.00 -1.26 -4.86 105.19 102.44 2ywq n GLY 46 Ca 0.54 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.73 2ywq n GLY 46 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ywq n LYS 53 N 8.26 -0.36 -4.20 1.61 3.00 -1.26 -5.28 118.16 119.93 2ywq n LYS 53 Ca 0.43 0.27 -0.18 0.00 -0.00 0.00 0.00 58.31 58.83 2ywq n LYS 53 Cb 0.45 -0.31 -0.12 0.00 0.00 0.00 0.00 35.03 35.05 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 -2.11 1.00 -0.04 3.14 0.00 0.12 -4.49 121.76 119.38 2ywq s ALA 54 Ca 0.00 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.15 2ywq s ALA 54 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 23.12 23.02 2ywq s ALA 54 CO 0.00 0.14 -0.18 0.50 0.00 0.00 0.00 175.76 176.22 2ywq s ARG 55 N -1.43 1.78 -0.18 0.00 3.52 0.11 -0.39 118.95 122.36 2ywq s ARG 55 Ca -0.02 -0.62 0.01 0.00 -0.13 0.00 0.00 55.73 54.96 2ywq s ARG 55 Cb -0.09 -1.56 0.02 0.00 -1.56 0.00 0.00 34.95 31.76 2ywq s ARG 55 CO 0.01 0.26 -0.20 0.00 -0.81 0.00 0.00 175.30 174.57 2ywq s ALA 56 N -0.02 2.34 -0.22 6.12 0.00 0.12 -0.76 121.76 129.34 2ywq s ALA 56 Ca -0.03 -1.22 -0.01 0.00 0.00 0.00 0.00 51.96 50.70 2ywq s ALA 56 Cb -0.11 -1.19 0.01 0.00 0.00 0.00 0.00 23.12 21.83 2ywq s ALA 56 CO 0.02 -0.36 -0.10 -1.21 0.00 0.00 0.00 175.76 174.12 2ywq s GLU 57 N 1.29 3.02 -0.03 0.00 2.02 0.50 -1.38 118.70 124.12 2ywq s GLU 57 Ca 0.05 -0.84 0.05 0.00 0.02 0.00 0.00 54.97 54.24 2ywq s GLU 57 Cb -0.13 -2.88 -0.01 0.00 0.10 0.00 0.00 34.13 31.22 2ywq s GLU 57 CO -0.13 -0.29 -0.17 0.42 0.02 0.00 0.00 175.26 175.11 2ywq s ILE 58 N 1.36 1.38 -0.06 -1.63 1.01 -0.49 -0.30 121.20 122.46 2ywq s ILE 58 Ca 0.03 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.97 2ywq s ILE 58 Cb -0.15 -1.18 0.02 0.00 0.01 0.00 0.00 42.46 41.16 2ywq s ILE 58 CO -0.06 0.40 -0.04 -1.58 0.00 0.00 0.00 174.94 173.65 2ywq s GLN 59 N -0.09 0.91 -0.06 2.79 0.74 -0.51 -0.88 119.66 122.57 2ywq s GLN 59 Ca -0.01 -0.08 0.06 0.00 0.05 0.00 0.00 55.36 55.38 2ywq s GLN 59 Cb -0.10 -1.01 -0.01 0.00 1.10 0.00 0.00 33.01 32.99 2ywq s GLN 59 CO 0.01 -0.16 -0.24 0.54 -0.55 0.00 0.00 175.29 174.89 2ywq s VAL 60 N 1.31 1.97 -0.18 1.34 0.11 -0.66 -0.73 120.40 123.57 2ywq s VAL 60 Ca -0.04 -1.02 -0.25 0.00 -2.93 0.00 0.00 61.98 57.74 2ywq s VAL 60 Cb -0.14 -1.67 -0.02 0.00 -1.53 0.00 0.00 36.38 33.03 2ywq s VAL 60 CO -0.02 0.55 0.80 -1.81 -3.33 0.00 0.00 175.10 171.28 2ywq s ASP 61 N -0.11 6.91 0.49 3.54 1.11 -1.26 -2.48 116.67 124.86 2ywq s ASP 61 Ca -0.04 1.11 0.05 0.00 0.18 0.00 0.00 52.55 53.85 2ywq s ASP 61 Cb -0.14 -2.44 -0.01 0.00 1.07 0.00 0.00 42.92 41.41 2ywq s ASP 61 CO 0.04 -0.38 0.21 -0.76 1.18 0.00 0.00 175.17 175.45 2ywq s LEU 62 N 2.14 2.70 -0.08 1.23 1.02 -0.25 -4.44 118.68 120.99 2ywq s LEU 62 Ca 0.37 -1.33 -0.30 0.00 0.02 0.00 0.00 54.13 52.89 2ywq s LEU 62 Cb -0.16 -1.11 -0.03 0.00 0.02 0.00 0.00 46.19 44.90 2ywq s LEU 62 CO 0.12 -0.85 1.32 -2.84 0.02 0.00 0.00 176.35 174.12 2ywq s PRO 63 N -4.04 4.27 -0.77 1.29 0.02 -1.26 -3.51 135.00 131.00 2ywq s PRO 63 Ca 0.27 1.80 -0.02 0.00 0.02 0.00 0.00 61.00 63.07 2ywq s PRO 63 Cb 0.01 -3.69 -0.02 0.00 0.02 0.00 0.00 34.50 30.82 2ywq s PRO 63 CO 0.16 -0.62 0.65 0.41 -0.33 0.00 0.00 177.00 177.27 2ywq n GLY 64 N 3.62 -0.25 0.00 0.52 0.00 -1.26 -4.94 105.19 102.88 2ywq n GLY 64 Ca 0.13 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.18 0.97 3.76 -0.02 0.00 -1.23 -5.15 105.19 102.35 2ywq n GLY 65 Ca -0.14 -2.06 -0.08 0.00 0.00 0.00 0.00 46.02 43.74 2ywq n GLY 65 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ywq s LEU 66 N 0.00 -0.02 -0.17 0.99 0.05 -1.26 -1.09 118.68 117.18 2ywq s LEU 66 Ca 0.00 -0.76 -0.12 0.00 0.05 0.00 0.00 54.13 53.29 2ywq s LEU 66 Cb 0.00 2.37 0.05 0.00 -2.05 0.00 0.00 46.19 46.57 2ywq s LEU 66 CO 0.00 -1.29 0.43 0.54 -0.55 0.00 0.00 176.35 175.48 2ywq s VAL 67 N -3.86 -0.01 -0.06 1.48 0.11 -1.03 -4.97 120.40 112.05 2ywq s VAL 67 Ca 0.16 0.05 0.06 0.00 -2.93 0.00 0.00 61.98 59.31 2ywq s VAL 67 Cb -0.04 -0.62 -0.01 0.00 -1.53 0.00 0.00 36.38 34.18 2ywq s VAL 67 CO 0.08 0.02 -0.24 -0.60 -3.33 0.00 0.00 175.10 171.04 2ywq s ARG 68 N 0.89 2.48 -0.02 1.54 3.52 -1.26 -1.65 118.95 124.45 2ywq s ARG 68 Ca -0.05 -0.85 0.05 0.00 -0.13 0.00 0.00 55.73 54.74 2ywq s ARG 68 Cb -0.06 -2.08 -0.01 0.00 -1.56 0.00 0.00 34.95 31.25 2ywq s ARG 68 CO -0.07 0.34 -0.17 0.14 -0.81 0.00 0.00 175.30 174.73 2ywq s VAL 69 N -0.07 1.33 -0.12 7.11 -7.23 -0.06 -5.00 120.40 116.36 2ywq s VAL 69 Ca -0.05 -0.70 0.01 0.00 -1.81 0.00 0.00 61.98 59.43 2ywq s VAL 69 Cb -0.14 -1.12 0.02 0.00 0.56 0.00 0.00 36.38 35.70 2ywq s VAL 69 CO 0.04 0.38 -0.15 -0.70 -0.31 0.00 0.00 175.10 174.36 2ywq s GLU 70 N -0.24 2.25 0.12 4.82 -6.30 -1.26 -1.40 118.70 116.68 2ywq s GLU 70 Ca 0.03 -0.56 0.06 0.00 -2.50 0.00 0.00 54.97 51.99 2ywq s GLU 70 Cb -0.08 -1.96 -0.04 0.00 0.00 0.00 0.00 34.13 32.05 2ywq s GLU 70 CO 0.00 -0.12 -0.13 -1.21 0.02 0.00 0.00 175.26 173.82 2ywq s GLU 71 N 1.15 0.99 0.10 4.30 0.41 -0.48 -5.01 118.70 120.17 2ywq s GLU 71 Ca -0.03 -1.21 0.07 0.00 -0.41 0.00 0.00 54.97 53.39 2ywq s GLU 71 Cb -0.14 -0.84 -0.03 0.00 -1.78 0.00 0.00 34.13 31.33 2ywq s GLU 71 CO -0.05 0.16 -0.18 -1.21 -0.49 0.00 0.00 175.26 173.49 2ywq s GLU 72 N -2.64 1.05 0.23 1.61 2.02 -1.26 -0.70 118.70 119.00 2ywq s GLU 72 Ca 0.08 -1.15 -0.22 0.00 0.02 0.00 0.00 54.97 53.70 2ywq s GLU 72 Cb -0.05 -1.18 0.06 0.00 0.10 0.00 0.00 34.13 33.07 2ywq s GLU 72 CO 0.03 0.26 0.93 0.34 0.02 0.00 0.00 175.26 176.84 2ywq s ASP 73 N -2.03 -0.08 0.40 -0.19 -1.08 0.47 -4.81 116.67 109.34 2ywq s ASP 73 Ca 0.06 -0.68 0.07 0.00 -0.52 0.00 0.00 52.55 51.48 2ywq s ASP 73 Cb -0.09 0.59 0.82 0.00 -1.46 0.00 0.00 42.92 42.78 2ywq s ASP 73 CO 0.04 -1.15 2.01 0.00 0.52 0.00 0.00 175.17 176.60 2ywq h ALA 74 N 2.00 1.63 -2.50 3.66 0.00 -1.95 0.33 119.26 122.44 2ywq h ALA 74 Ca -0.27 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 2ywq h ALA 74 Cb 1.23 -0.15 -0.17 0.00 0.00 0.00 0.00 17.79 18.71 2ywq h ALA 74 CO 0.32 0.30 -0.59 0.16 0.00 0.00 0.00 179.25 179.44 2ywq s ASP 75 N -6.73 0.30 0.23 0.00 1.47 -1.26 -4.32 116.67 106.36 2ywq s ASP 75 Ca -0.08 -0.73 -0.10 0.00 1.18 0.00 0.00 52.55 52.82 2ywq s ASP 75 Cb 0.17 0.21 0.34 0.00 -0.34 0.00 0.00 42.92 43.31 2ywq s ASP 75 CO 0.74 -0.54 1.62 0.25 0.68 0.00 0.00 175.17 177.91 2ywq h LEU 76 N 3.48 -0.53 -1.03 2.11 5.85 -1.90 -1.57 115.31 121.71 2ywq h LEU 76 Ca -0.33 0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.52 2ywq h LEU 76 Cb 1.17 0.40 -0.02 0.00 0.37 0.00 0.00 40.66 42.58 2ywq h LEU 76 CO 0.56 -0.21 -0.06 1.88 -0.34 0.00 0.00 178.44 180.27 2ywq h TYR 77 N 0.04 0.67 -0.10 1.25 0.05 -1.98 -2.04 116.97 114.86 2ywq h TYR 77 Ca 0.37 -0.09 -0.18 0.00 0.05 0.00 0.00 58.73 58.88 2ywq h TYR 77 Cb 0.60 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 2ywq h TYR 77 CO -0.51 0.67 -0.68 0.00 -1.05 0.00 0.00 178.16 176.59 2ywq h ALA 78 N 1.36 0.64 -0.51 3.88 0.00 -1.74 -2.01 119.26 120.88 2ywq h ALA 78 Ca 0.11 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 2ywq h ALA 78 Cb 0.46 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2ywq h ALA 78 CO 0.02 0.74 0.09 0.00 0.00 0.00 0.00 179.25 180.11 2ywq h ALA 79 N 0.97 0.68 -0.38 0.00 0.00 -1.09 -1.65 119.26 117.79 2ywq h ALA 79 Ca -0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2ywq h ALA 79 Cb 1.24 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2ywq h ALA 79 CO 0.12 0.40 0.08 0.82 0.00 0.00 0.00 179.25 180.67 2ywq h ILE 80 N 0.72 1.23 -0.44 0.00 2.04 -1.34 -0.32 117.51 119.40 2ywq h ILE 80 Ca 0.16 -0.81 0.06 0.00 1.00 0.00 0.00 64.86 65.26 2ywq h ILE 80 Cb 0.38 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 2ywq h ILE 80 CO 0.01 0.28 0.15 0.44 0.00 0.00 0.00 178.15 179.03 2ywq h ASP 81 N 0.48 0.15 -0.50 1.72 3.45 -1.23 0.14 116.42 120.64 2ywq h ASP 81 Ca 0.12 0.05 -0.06 0.00 0.43 0.00 0.00 57.03 57.57 2ywq h ASP 81 Cb 0.33 0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 39.12 2ywq h ASP 81 CO 0.00 0.12 0.08 -0.09 -1.57 0.00 0.00 179.24 177.79 2ywq h ARG 82 N 0.32 0.82 -0.39 3.56 2.43 -1.11 0.05 114.38 120.06 2ywq h ARG 82 Ca 0.21 -0.22 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 2ywq h ARG 82 Cb 0.20 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 2ywq h ARG 82 CO -0.21 0.82 0.10 0.00 -1.51 0.00 0.00 179.97 179.17 2ywq h ALA 83 N 0.97 0.52 -0.30 2.80 0.00 -0.72 -1.72 119.26 120.81 2ywq h ALA 83 Ca 0.15 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2ywq h ALA 83 Cb 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2ywq h ALA 83 CO 0.01 0.18 -0.20 0.28 0.00 0.00 0.00 179.25 179.53 2ywq h VAL 84 N 0.49 1.25 -0.09 0.00 2.07 -0.55 -1.46 116.25 117.96 2ywq h VAL 84 Ca 0.12 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 2ywq h VAL 84 Cb 0.29 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2ywq h VAL 84 CO -0.00 0.39 -0.04 0.44 0.02 0.00 0.00 177.57 178.38 2ywq h ASP 85 N 0.49 0.19 -0.27 0.57 3.45 -0.81 0.19 116.42 120.23 2ywq h ASP 85 Ca 0.08 -0.40 -0.02 0.00 0.43 0.00 0.00 57.03 57.12 2ywq h ASP 85 Cb 0.61 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 39.31 2ywq h ASP 85 CO 0.04 0.55 0.11 -0.09 -1.57 0.00 0.00 179.24 178.28 2ywq h ARG 86 N -0.17 0.46 -0.15 3.56 2.43 -1.27 -1.95 114.38 117.30 2ywq h ARG 86 Ca 0.02 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 2ywq h ARG 86 Cb 0.47 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2ywq h ARG 86 CO 0.01 0.41 -0.05 1.25 -1.51 0.00 0.00 179.97 180.08 2ywq h LEU 87 N 0.46 0.30 -1.57 3.80 5.85 -1.01 -2.54 115.31 120.59 2ywq h LEU 87 Ca 0.11 -0.39 0.13 0.00 0.84 0.00 0.00 57.88 58.57 2ywq h LEU 87 Cb 0.13 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 2ywq h LEU 87 CO -0.01 0.62 0.48 -0.08 -0.34 0.00 0.00 178.44 179.11 2ywq h GLU 88 N -0.03 0.43 -0.24 1.25 4.81 0.03 -0.26 114.58 120.57 2ywq h GLU 88 Ca 0.03 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 2ywq h GLU 88 Cb 0.50 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.78 2ywq h GLU 88 CO 0.02 0.28 -0.61 1.15 -0.73 0.00 0.00 179.01 179.12 2ywq h THR 89 N 0.44 1.28 -0.07 0.32 2.02 -1.19 -2.87 112.91 112.85 2ywq h THR 89 Ca 0.35 -1.81 -0.07 0.00 0.77 0.00 0.00 66.41 65.65 2ywq h THR 89 Cb 0.73 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 2ywq h THR 89 CO -0.11 0.58 -0.22 1.56 0.37 0.00 0.00 175.52 177.70 2ywq h GLN 90 N 0.61 0.27 -0.69 6.66 1.08 -0.85 -3.16 115.11 119.03 2ywq h GLN 90 Ca -0.01 -0.20 -0.01 0.00 -1.45 0.00 0.00 58.65 56.99 2ywq h GLN 90 Cb 1.22 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.66 2ywq h GLN 90 CO 0.13 0.82 0.39 0.28 -0.95 0.00 0.00 178.83 179.50 2ywq h VAL 91 N -0.24 1.21 -0.43 -0.54 2.07 -1.19 -2.23 116.25 114.90 2ywq h VAL 91 Ca -0.01 -0.50 -0.10 0.00 0.82 0.00 0.00 66.70 66.91 2ywq h VAL 91 Cb 0.85 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2ywq h VAL 91 CO 0.05 0.23 -0.10 0.07 0.02 0.00 0.00 177.57 177.83 2ywq h LYS 92 N 0.96 0.83 0.00 1.57 2.10 -1.59 -2.33 116.57 118.11 2ywq h LYS 92 Ca 0.25 -0.32 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2ywq h LYS 92 Cb 0.01 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.30 2ywq h LYS 92 CO -0.04 0.95 0.00 0.54 -2.00 0.00 0.00 179.45 178.89 2ywq n ARG 93 N -4.29 0.03 0.00 0.07 5.12 -1.04 -2.26 116.66 114.28 2ywq n ARG 93 Ca -0.01 0.23 0.02 0.00 -1.93 0.00 0.00 57.85 56.16 2ywq n ARG 93 Cb 0.37 -1.50 0.12 0.00 -1.16 0.00 0.00 32.46 30.29 2ywq n ARG 93 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2ywq n PHE 94 N -1.47 0.00 -0.53 -1.55 7.35 -0.87 -5.10 117.46 115.28 2ywq n PHE 94 Ca 0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 2ywq n PHE 94 Cb 0.17 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.00 2ywq n PHE 94 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87