#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1quw s THR 2 N 0.00 4.77 0.61 0.00 -4.23 -1.26 -4.90 115.64 110.62 1quw s THR 2 Ca 0.00 0.73 -0.11 0.00 -1.18 0.00 0.00 61.69 61.13 1quw s THR 2 Cb 0.00 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 1quw s THR 2 CO 0.00 -0.28 1.02 -0.32 -0.54 0.00 0.00 174.62 174.50 1quw s MET 3 N -3.25 3.60 -0.17 3.99 -2.45 -0.87 -4.96 119.30 115.18 1quw s MET 3 Ca 0.52 0.73 -0.03 0.00 -1.25 0.00 0.00 55.69 55.66 1quw s MET 3 Cb -0.10 -2.10 0.05 0.00 1.25 0.00 0.00 34.83 33.94 1quw s MET 3 CO 0.23 -0.55 0.03 0.99 1.05 0.00 0.00 175.02 176.77 1quw s THR 4 N -3.15 0.47 0.45 10.11 2.01 -1.26 -1.29 115.64 122.98 1quw s THR 4 Ca 0.55 -0.42 0.08 0.00 0.31 0.00 0.00 61.69 62.20 1quw s THR 4 Cb -0.11 -0.92 0.02 0.00 0.01 0.00 0.00 72.50 71.50 1quw s THR 4 CO 0.53 -0.13 0.62 -0.76 -0.69 0.00 0.00 174.62 174.19 1quw s LEU 5 N 1.89 3.55 0.09 4.42 1.02 -0.33 -4.87 118.68 124.45 1quw s LEU 5 Ca 0.00 -0.46 -0.21 0.00 0.02 0.00 0.00 54.13 53.49 1quw s LEU 5 Cb -0.16 -2.52 0.05 0.00 0.02 0.00 0.00 46.19 43.58 1quw s LEU 5 CO -0.08 -0.88 0.51 0.28 0.02 0.00 0.00 176.35 176.20 1quw s THR 6 N -2.43 0.03 0.07 5.49 -1.32 -1.26 -4.45 115.64 111.77 1quw s THR 6 Ca 0.56 -0.28 -0.05 0.00 -1.21 0.00 0.00 61.69 60.71 1quw s THR 6 Cb -0.09 -1.03 0.07 0.00 -1.51 0.00 0.00 72.50 69.93 1quw s THR 6 CO 0.34 -0.15 0.46 -0.90 -2.21 0.00 0.00 174.62 172.16 1quw n ASP 7 N 0.06 -0.20 -0.07 8.08 5.75 -1.26 0.10 116.55 129.02 1quw n ASP 7 Ca -0.17 0.52 -0.16 0.00 -0.01 0.00 0.00 54.79 54.97 1quw n ASP 7 Cb 0.62 -0.12 -0.13 0.00 -1.03 0.00 0.00 41.12 40.47 1quw n ASP 7 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1quw h ALA 8 N 0.40 0.05 -0.15 2.12 0.00 -2.02 -3.27 119.26 116.39 1quw h ALA 8 Ca 0.10 -0.64 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 1quw h ALA 8 Cb 0.17 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1quw h ALA 8 CO -0.29 0.15 -0.27 -0.97 0.00 0.00 0.00 179.25 177.87 1quw h ASN 9 N -0.97 0.27 -0.64 0.00 -1.24 -1.69 -3.06 115.58 108.25 1quw h ASN 9 Ca -0.07 -0.08 0.13 0.00 0.71 0.00 0.00 56.30 56.99 1quw h ASN 9 Cb 1.09 -0.07 -0.11 0.00 0.73 0.00 0.00 38.32 39.95 1quw h ASN 9 CO -0.03 0.54 -0.05 0.15 -1.29 0.00 0.00 177.43 176.75 1quw h PHE 10 N 0.24 -0.14 0.00 0.67 3.57 0.62 0.83 116.94 122.73 1quw h PHE 10 Ca 0.04 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1quw h PHE 10 Cb 0.60 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.50 1quw h PHE 10 CO 0.01 -0.21 -0.00 1.96 -2.23 0.00 0.00 178.31 177.84 1quw h GLN 11 N 0.07 -0.01 -0.69 1.11 1.08 -1.59 -2.65 115.11 112.44 1quw h GLN 11 Ca 0.33 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.59 1quw h GLN 11 Cb 0.53 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.92 1quw h GLN 11 CO -0.58 0.29 0.46 0.37 -0.95 0.00 0.00 178.83 178.41 1quw h GLN 12 N -0.30 0.69 -0.39 1.46 4.15 -1.50 -1.90 115.11 117.32 1quw h GLN 12 Ca -0.00 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 1quw h GLN 12 Cb 0.30 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 1quw h GLN 12 CO 0.00 0.46 0.20 0.00 -1.93 0.00 0.00 178.83 177.56 1quw h ALA 13 N 1.62 0.51 0.00 3.38 0.00 -0.61 -3.21 119.26 120.95 1quw h ALA 13 Ca 0.30 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1quw h ALA 13 Cb 0.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1quw h ALA 13 CO -0.10 0.06 -0.72 -0.84 0.00 0.00 0.00 179.25 177.66 1quw h ILE 14 N 0.50 0.61 0.00 0.00 3.07 -1.12 -3.30 117.51 117.27 1quw h ILE 14 Ca 0.14 -1.93 0.00 0.00 1.55 0.00 0.00 64.86 64.62 1quw h ILE 14 Cb 0.10 2.20 0.00 0.00 -0.27 0.00 0.00 36.82 38.86 1quw h ILE 14 CO -0.02 0.34 0.00 1.56 -1.05 0.00 0.00 178.15 178.99 1quw h GLN 15 N 0.00 0.00 0.00 0.16 1.08 -1.35 -0.37 115.11 114.62 1quw h GLN 15 Ca -0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1quw h GLN 15 Cb 1.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.79 1quw h GLN 15 CO 0.05 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.34 1quw n GLY 16 N 0.16 -2.47 1.47 3.46 0.00 -1.24 -4.56 105.19 102.01 1quw n GLY 16 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1quw n GLY 16 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1quw n ASP 17 N 0.00 -2.75 -4.78 1.61 2.03 -1.24 -4.81 116.55 106.62 1quw n ASP 17 Ca 0.00 0.75 -0.37 0.00 0.52 0.00 0.00 54.79 55.69 1quw n ASP 17 Cb 0.00 2.72 -0.02 0.00 -0.72 0.00 0.00 41.12 43.09 1quw n ASP 17 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1quw s LYS 18 N -1.93 3.93 0.57 -0.67 2.47 -1.26 -4.37 119.74 118.47 1quw s LYS 18 Ca 0.00 1.63 -0.19 0.00 -1.56 0.00 0.00 55.97 55.85 1quw s LYS 18 Cb 0.00 -2.44 -0.07 0.00 -1.46 0.00 0.00 37.83 33.87 1quw s LYS 18 CO 0.00 -0.37 0.86 -2.30 0.16 0.00 0.00 175.35 173.70 1quw n PRO 19 N -0.35 0.86 -3.61 4.03 -0.02 -1.26 -4.82 135.00 129.83 1quw n PRO 19 Ca 0.06 0.33 -0.17 0.00 -2.02 0.00 0.00 63.50 61.71 1quw n PRO 19 Cb 0.49 -2.03 -0.14 0.00 -0.02 0.00 0.00 33.50 31.80 1quw n PRO 19 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1quw s VAL 20 N -1.53 -0.32 0.01 -1.45 1.01 -0.54 -4.59 120.40 112.99 1quw s VAL 20 Ca 0.72 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 62.59 1quw s VAL 20 Cb -0.45 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 1quw s VAL 20 CO 0.50 0.03 1.02 -0.22 0.00 0.00 0.00 175.10 176.43 1quw s LEU 21 N 2.33 4.37 -0.06 3.92 2.96 -0.03 -1.64 118.68 130.53 1quw s LEU 21 Ca 0.04 1.73 -0.01 0.00 -0.22 0.00 0.00 54.13 55.66 1quw s LEU 21 Cb -0.13 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 1quw s LEU 21 CO -0.08 -0.30 0.01 -0.69 -1.32 0.00 0.00 176.35 173.97 1quw s VAL 22 N 1.02 4.35 -0.23 1.68 1.01 0.35 -0.12 120.40 128.46 1quw s VAL 22 Ca 0.53 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.18 1quw s VAL 22 Cb -0.23 -2.87 0.03 0.00 0.00 0.00 0.00 36.38 33.31 1quw s VAL 22 CO 0.28 0.53 -0.12 -1.81 0.00 0.00 0.00 175.10 173.98 1quw s ASP 23 N -1.14 3.98 -0.38 3.32 1.11 -0.09 -1.18 116.67 122.29 1quw s ASP 23 Ca 0.16 -0.95 -0.15 0.00 0.18 0.00 0.00 52.55 51.79 1quw s ASP 23 Cb -0.11 -1.57 0.00 0.00 1.07 0.00 0.00 42.92 42.31 1quw s ASP 23 CO 0.05 -0.10 0.30 -0.36 1.18 0.00 0.00 175.17 176.24 1quw s PHE 24 N 1.25 3.22 0.29 4.23 0.08 0.71 -1.45 117.98 126.31 1quw s PHE 24 Ca -0.01 -0.37 -0.08 0.00 0.12 0.00 0.00 56.93 56.59 1quw s PHE 24 Cb -0.16 -2.60 0.00 0.00 -0.57 0.00 0.00 43.02 39.69 1quw s PHE 24 CO -0.07 -0.51 0.47 1.67 -0.10 0.00 0.00 175.22 176.68 1quw s TRP 25 N 1.79 0.68 0.05 0.36 1.48 -1.21 -1.10 118.94 120.99 1quw s TRP 25 Ca 0.07 -1.00 -0.02 0.00 -1.06 0.00 0.00 56.10 54.09 1quw s TRP 25 Cb -0.18 0.07 -0.03 0.00 -1.16 0.00 0.00 33.47 32.18 1quw s TRP 25 CO 0.11 -1.07 0.00 0.00 -4.06 0.00 0.00 176.95 171.94 1quw s ALA 26 N -3.53 0.33 0.08 2.67 0.00 -1.26 -2.43 121.76 117.62 1quw s ALA 26 Ca 0.26 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.21 1quw s ALA 26 Cb -0.00 0.27 -0.27 0.00 0.00 0.00 0.00 23.12 23.12 1quw s ALA 26 CO 0.14 -0.35 1.14 0.00 0.00 0.00 0.00 175.76 176.69 1quw h ALA 27 N 3.36 0.18 0.00 0.00 0.00 -2.02 -3.00 119.26 117.78 1quw h ALA 27 Ca -0.34 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.65 1quw h ALA 27 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1quw h ALA 27 CO 0.60 1.06 0.00 -2.67 0.00 0.00 0.00 179.25 178.24 1quw n TRP 28 N -3.48 0.00 -1.48 0.00 4.27 -1.26 -4.91 117.44 110.58 1quw n TRP 28 Ca -0.07 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.21 1quw n TRP 28 Cb 1.01 0.00 0.08 0.00 -1.36 0.00 0.00 31.31 31.04 1quw n TRP 28 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1quw n GLY 30 N -0.18 -0.68 0.07 0.00 0.00 -1.26 -4.58 105.19 98.56 1quw n GLY 30 Ca 0.12 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 46.04 1quw n GLY 30 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1quw n PRO 31 N -4.11 0.12 0.00 1.61 -0.04 -1.26 -2.73 135.00 128.59 1quw n PRO 31 Ca -0.09 0.26 0.10 0.00 -0.04 0.00 0.00 63.50 63.73 1quw n PRO 31 Cb 0.33 -1.69 0.49 0.00 -0.04 0.00 0.00 33.50 32.59 1quw n PRO 31 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1quw h ARG 33 N 0.00 0.41 -0.07 0.00 9.65 -1.78 -2.81 114.38 119.78 1quw h ARG 33 Ca 0.00 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.78 1quw h ARG 33 Cb 0.22 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 28.73 1quw h ARG 33 CO 0.00 0.43 -0.05 0.52 2.80 0.00 0.00 179.97 183.67 1quw h MET 34 N 0.40 0.16 0.00 0.20 2.86 -1.82 -3.12 114.93 113.62 1quw h MET 34 Ca 0.09 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1quw h MET 34 Cb 0.24 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1quw h MET 34 CO 0.00 0.56 0.00 0.00 1.06 0.00 0.00 176.91 178.53 1quw n MET 35 N -4.75 0.83 0.06 1.72 0.00 -1.19 -4.16 117.12 109.64 1quw n MET 35 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 57.70 57.48 1quw n MET 35 Cb 0.27 -1.50 -0.09 0.00 0.00 0.00 0.00 33.22 31.91 1quw n MET 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1quw h ALA 36 N 3.76 -0.86 0.00 3.17 0.00 -1.43 0.10 119.26 124.01 1quw h ALA 36 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1quw h ALA 36 Cb 0.05 0.88 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1quw h ALA 36 CO 0.00 -1.06 -0.11 -1.00 0.00 0.00 0.00 179.25 177.08 1quw h PRO 37 N -0.65 0.00 -0.02 0.00 0.13 -1.81 -3.15 132.00 126.49 1quw h PRO 37 Ca 0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1quw h PRO 37 Cb 0.71 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.84 1quw h PRO 37 CO -0.34 0.11 -0.00 0.28 -0.23 0.00 0.00 178.00 177.82 1quw h VAL 38 N 0.00 1.26 -0.78 1.56 2.07 -1.46 -2.36 116.25 116.54 1quw h VAL 38 Ca -0.00 -0.76 0.09 0.00 0.82 0.00 0.00 66.70 66.85 1quw h VAL 38 Cb 0.55 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 1quw h VAL 38 CO 0.01 0.20 0.51 -0.07 0.02 0.00 0.00 177.57 178.25 1quw h LEU 39 N -0.27 0.65 -0.32 2.57 3.38 -0.81 0.24 115.31 120.75 1quw h LEU 39 Ca 0.01 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1quw h LEU 39 Cb 0.33 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1quw h LEU 39 CO 0.00 0.40 -0.14 -0.33 0.09 0.00 0.00 178.44 178.45 1quw h GLU 40 N 0.73 0.66 -0.28 1.13 4.39 -1.55 -2.01 114.58 117.65 1quw h GLU 40 Ca 0.36 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1quw h GLU 40 Cb 0.42 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1quw h GLU 40 CO -0.13 0.87 0.13 0.93 -1.16 0.00 0.00 179.01 179.65 1quw h GLU 41 N 0.43 0.38 -0.03 2.33 4.39 -0.77 -3.23 114.58 118.08 1quw h GLU 41 Ca 0.07 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.62 1quw h GLU 41 Cb 0.67 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1quw h GLU 41 CO 0.04 0.31 -0.45 0.35 -1.16 0.00 0.00 179.01 178.10 1quw h PHE 42 N 0.39 0.51 0.00 4.33 3.57 -0.05 -2.46 116.94 123.22 1quw h PHE 42 Ca 0.10 -0.26 -0.06 0.00 3.53 0.00 0.00 57.97 61.28 1quw h PHE 42 Cb 0.05 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1quw h PHE 42 CO 0.00 1.05 -0.30 0.00 -2.23 0.00 0.00 178.31 176.83 1quw h ALA 43 N 0.35 1.46 -0.01 2.41 0.00 -1.44 -1.96 119.26 120.07 1quw h ALA 43 Ca -0.05 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1quw h ALA 43 Cb 1.15 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1quw h ALA 43 CO 0.09 0.38 -0.22 0.39 0.00 0.00 0.00 179.25 179.90 1quw n GLU 44 N -4.12 0.68 -0.06 0.00 -0.58 -1.22 -1.63 120.64 113.71 1quw n GLU 44 Ca -0.02 -0.34 -0.05 0.00 -0.42 0.00 0.00 57.16 56.33 1quw n GLU 44 Cb 0.35 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.68 1quw n GLU 44 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1quw h ALA 45 N 3.57 0.00 0.00 0.62 0.00 -0.86 -3.41 119.26 119.20 1quw h ALA 45 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1quw h ALA 45 Cb 0.45 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1quw h ALA 45 CO 0.00 0.02 -0.11 0.45 0.00 0.00 0.00 179.25 179.61 1quw h HIS 46 N -1.00 0.00 0.00 0.00 3.86 -1.67 -3.46 115.15 112.88 1quw h HIS 46 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1quw h HIS 46 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1quw h HIS 46 CO 0.09 0.61 0.00 0.00 0.86 0.00 0.00 177.93 179.49 1quw n ALA 47 N -2.78 0.00 -0.62 2.45 0.00 -0.65 -3.35 120.51 115.56 1quw n ALA 47 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.33 1quw n ALA 47 Cb 0.30 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.71 1quw n ALA 47 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1quw n ASP 48 N 2.76 5.08 0.15 0.00 5.75 -1.26 -3.58 116.55 125.44 1quw n ASP 48 Ca 0.00 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.41 1quw n ASP 48 Cb 0.00 -1.16 0.00 0.00 -1.03 0.00 0.00 41.12 38.93 1quw n ASP 48 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1quw n LYS 49 N 1.83 0.00 -3.58 0.11 3.00 -1.21 -5.12 118.16 113.18 1quw n LYS 49 Ca 0.12 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.16 1quw n LYS 49 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.60 1quw n LYS 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1quw s VAL 50 N -2.00 5.15 -0.43 3.15 0.11 -1.24 -4.98 120.40 120.16 1quw s VAL 50 Ca 0.00 -0.28 0.01 0.00 -2.93 0.00 0.00 61.98 58.78 1quw s VAL 50 Cb 0.00 -3.75 0.12 0.00 -1.53 0.00 0.00 36.38 31.22 1quw s VAL 50 CO 0.00 -0.25 0.19 -0.89 -3.33 0.00 0.00 175.10 170.82 1quw s THR 51 N -1.97 2.81 -0.83 5.04 2.01 -1.26 -4.47 115.64 116.96 1quw s THR 51 Ca 0.40 -2.56 -0.25 0.00 0.31 0.00 0.00 61.69 59.59 1quw s THR 51 Cb -0.11 -2.96 0.05 0.00 0.01 0.00 0.00 72.50 69.49 1quw s THR 51 CO 0.30 -0.70 1.29 -0.69 -0.69 0.00 0.00 174.62 174.12 1quw s VAL 52 N 0.58 3.92 0.42 3.82 1.01 -1.26 -0.86 120.40 128.03 1quw s VAL 52 Ca 0.12 -0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.00 1quw s VAL 52 Cb -0.22 -4.93 0.01 0.00 0.00 0.00 0.00 36.38 31.24 1quw s VAL 52 CO -0.05 -1.82 0.59 0.00 0.00 0.00 0.00 175.10 173.82 1quw s ALA 53 N 5.12 4.31 -0.14 5.51 0.00 0.83 -2.06 121.76 135.33 1quw s ALA 53 Ca 0.37 -1.52 -0.01 0.00 0.00 0.00 0.00 51.96 50.80 1quw s ALA 53 Cb -0.06 -1.75 0.03 0.00 0.00 0.00 0.00 23.12 21.34 1quw s ALA 53 CO 0.05 -0.30 -0.05 0.15 0.00 0.00 0.00 175.76 175.61 1quw s LYS 54 N -4.39 1.35 -0.19 0.00 -0.14 -0.41 -0.92 119.74 115.05 1quw s LYS 54 Ca 0.53 -0.35 0.01 0.00 -1.36 0.00 0.00 55.97 54.79 1quw s LYS 54 Cb -0.10 -1.76 0.03 0.00 -1.68 0.00 0.00 37.83 34.33 1quw s LYS 54 CO 0.34 -0.37 -0.13 -1.17 -0.76 0.00 0.00 175.35 173.26 1quw s LEU 55 N 1.71 2.18 -0.15 3.17 1.98 -0.53 -1.19 118.68 125.86 1quw s LEU 55 Ca 0.03 -0.78 -0.29 0.00 -2.89 0.00 0.00 54.13 50.19 1quw s LEU 55 Cb -0.14 -1.28 -0.01 0.00 0.66 0.00 0.00 46.19 45.42 1quw s LEU 55 CO -0.08 -0.10 1.10 0.20 -1.89 0.00 0.00 176.35 175.59 1quw s ASN 56 N 1.38 7.10 0.30 3.68 -0.87 -1.26 -3.31 114.94 121.96 1quw s ASN 56 Ca 0.01 1.57 0.25 0.00 -1.57 0.00 0.00 52.86 53.12 1quw s ASN 56 Cb -0.15 -2.55 1.04 0.00 -0.02 0.00 0.00 41.25 39.57 1quw s ASN 56 CO -0.09 -0.61 1.75 -0.37 -2.57 0.00 0.00 177.10 175.21 1quw h VAL 57 N 5.27 0.00 0.00 1.60 -1.51 -1.69 -0.48 116.25 119.44 1quw h VAL 57 Ca -0.27 -0.28 -0.05 0.00 -1.23 0.00 0.00 66.70 64.88 1quw h VAL 57 Cb 1.11 1.06 -0.01 0.00 -2.13 0.00 0.00 31.29 31.32 1quw h VAL 57 CO 0.92 0.00 -0.26 -0.78 -1.23 0.00 0.00 177.57 176.23 1quw h ASP 58 N 0.00 0.00 0.20 4.19 3.58 -1.90 -3.38 116.42 119.11 1quw h ASP 58 Ca 0.00 -0.83 -0.26 0.00 0.42 0.00 0.00 57.03 56.36 1quw h ASP 58 Cb 0.39 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.46 1quw h ASP 58 CO 0.00 1.06 -1.05 -0.08 -2.88 0.00 0.00 179.24 176.30 1quw h GLU 59 N -1.00 0.55 -3.96 0.28 4.57 -1.94 -3.40 114.58 109.67 1quw h GLU 59 Ca -0.07 -0.62 -0.69 0.00 -1.18 0.00 0.00 59.36 56.80 1quw h GLU 59 Cb 0.99 0.19 -0.36 0.00 -0.16 0.00 0.00 28.75 29.41 1quw h GLU 59 CO -0.04 1.24 -0.47 -0.80 -1.18 0.00 0.00 179.01 177.76 1quw s ASN 60 N -7.22 5.16 0.00 1.04 0.01 -0.19 -4.94 114.94 108.80 1quw s ASN 60 Ca -0.08 -2.52 0.25 0.00 -0.71 0.00 0.00 52.86 49.80 1quw s ASN 60 Cb 0.07 -1.82 0.93 0.00 0.41 0.00 0.00 41.25 40.84 1quw s ASN 60 CO 0.90 -0.43 1.66 -0.81 -1.51 0.00 0.00 177.10 176.91 1quw n PRO 61 N 3.92 1.68 0.00 -0.60 -0.04 -1.26 -4.24 135.00 134.46 1quw n PRO 61 Ca 0.04 -1.00 -0.21 0.00 -0.04 0.00 0.00 63.50 62.29 1quw n PRO 61 Cb 0.39 -1.44 -0.14 0.00 -0.04 0.00 0.00 33.50 32.27 1quw n PRO 61 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1quw h GLU 62 N 2.22 0.23 0.05 0.54 -0.00 -1.92 -3.01 114.58 112.69 1quw h GLU 62 Ca 0.00 -0.39 -0.24 0.00 -0.00 0.00 0.00 59.36 58.73 1quw h GLU 62 Cb 0.48 0.15 -0.02 0.00 -0.00 0.00 0.00 28.75 29.36 1quw h GLU 62 CO 0.00 1.19 -1.10 0.00 -0.00 0.00 0.00 179.01 179.10 1quw h THR 63 N -0.37 1.63 -0.03 -1.06 1.03 -1.94 -1.96 112.91 110.22 1quw h THR 63 Ca -0.28 -3.28 -0.11 0.00 -0.01 0.00 0.00 66.41 62.73 1quw h THR 63 Cb 1.70 2.89 -0.01 0.00 -1.07 0.00 0.00 68.15 71.65 1quw h THR 63 CO 0.05 0.94 -0.49 0.00 -0.01 0.00 0.00 175.52 176.02 1quw h THR 64 N 0.03 1.35 0.01 0.00 1.03 -1.74 -2.34 112.91 111.25 1quw h THR 64 Ca -0.06 -1.69 -0.21 0.00 -0.01 0.00 0.00 66.41 64.43 1quw h THR 64 Cb 1.85 1.88 -0.03 0.00 -1.07 0.00 0.00 68.15 70.78 1quw h THR 64 CO 0.16 0.49 -1.02 0.28 -0.01 0.00 0.00 175.52 175.42 1quw h SER 65 N 0.05 0.03 -0.42 0.00 0.02 -1.54 -1.61 113.55 110.08 1quw h SER 65 Ca -0.00 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 1quw h SER 65 Cb 0.88 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 1quw h SER 65 CO 0.07 1.02 0.06 -0.61 -1.14 0.00 0.00 176.83 176.23 1quw h GLN 66 N 0.01 0.70 0.01 3.45 4.15 -1.08 -3.03 115.11 119.32 1quw h GLN 66 Ca -0.02 -0.19 -0.24 0.00 0.77 0.00 0.00 58.65 58.97 1quw h GLN 66 Cb 1.78 -0.08 0.01 0.00 0.21 0.00 0.00 27.48 29.40 1quw h GLN 66 CO 0.13 0.74 -0.98 0.74 -1.93 0.00 0.00 178.83 177.53 1quw h PHE 67 N 0.55 0.67 -0.61 3.99 0.04 -1.54 -3.49 116.94 116.55 1quw h PHE 67 Ca 0.13 -0.37 0.00 0.00 2.80 0.00 0.00 57.97 60.52 1quw h PHE 67 Cb 0.38 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1quw h PHE 67 CO 0.03 1.20 0.00 0.41 -0.60 0.00 0.00 178.31 179.35 1quw n GLY 68 N 1.01 0.76 3.50 -1.45 0.00 -0.90 -5.00 105.19 103.11 1quw n GLY 68 Ca -0.08 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 1quw n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1quw s ILE 69 N -2.20 4.22 -0.15 -0.61 -1.09 -0.66 -4.80 121.20 115.91 1quw s ILE 69 Ca 0.00 -0.62 0.18 0.00 -2.23 0.00 0.00 60.65 57.98 1quw s ILE 69 Cb 0.00 -4.84 -0.09 0.00 -1.58 0.00 0.00 42.46 35.95 1quw s ILE 69 CO 0.00 -1.66 0.92 0.24 -1.23 0.00 0.00 174.94 173.22 1quw h MET 70 N 9.52 0.00 -2.97 2.79 2.86 -1.94 -3.43 114.93 121.76 1quw h MET 70 Ca -0.06 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 56.98 1quw h MET 70 Cb 1.04 0.00 -0.40 0.00 0.06 0.00 0.00 31.60 32.30 1quw h MET 70 CO 1.24 0.25 -0.76 0.45 1.06 0.00 0.00 176.91 179.14 1quw s SER 71 N -5.76 3.55 0.42 1.22 0.15 -1.26 -5.10 113.70 106.92 1quw s SER 71 Ca -0.02 -2.41 -0.23 0.00 0.70 0.00 0.00 55.95 53.99 1quw s SER 71 Cb 0.09 -0.87 -0.08 0.00 -1.71 0.00 0.00 66.02 63.44 1quw s SER 71 CO 0.80 -0.29 1.08 0.27 1.20 0.00 0.00 173.24 176.30 1quw s ILE 72 N 0.67 3.54 0.37 6.45 -5.25 -1.26 -3.29 121.20 122.44 1quw s ILE 72 Ca 0.17 1.16 -0.21 0.00 -0.99 0.00 0.00 60.65 60.78 1quw s ILE 72 Cb -0.23 -3.58 -0.10 0.00 2.95 0.00 0.00 42.46 41.49 1quw s ILE 72 CO -0.02 -0.02 0.89 -2.16 -1.79 0.00 0.00 174.94 171.84 1quw s PRO 73 N -2.61 4.26 -0.07 0.37 0.04 -1.26 -4.61 135.00 131.11 1quw s PRO 73 Ca 0.60 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1quw s PRO 73 Cb -0.23 -2.40 0.02 0.00 0.04 0.00 0.00 34.50 31.93 1quw s PRO 73 CO 0.29 0.10 -0.05 0.99 0.04 0.00 0.00 177.00 178.37 1quw s THR 74 N -1.99 0.68 -0.06 1.26 2.01 -0.26 -0.79 115.64 116.50 1quw s THR 74 Ca 0.57 -0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.46 1quw s THR 74 Cb -0.12 -0.73 -0.02 0.00 0.01 0.00 0.00 72.50 71.64 1quw s THR 74 CO 0.16 0.29 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.48 1quw s LEU 75 N 1.37 2.75 -0.11 4.42 1.43 -1.11 -0.21 118.68 127.23 1quw s LEU 75 Ca -0.03 -0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 52.82 1quw s LEU 75 Cb -0.13 -1.57 0.05 0.00 0.03 0.00 0.00 46.19 44.57 1quw s LEU 75 CO -0.03 0.32 0.22 -0.63 0.23 0.00 0.00 176.35 176.47 1quw s ILE 76 N -0.58 -0.23 -0.09 -0.59 1.01 -0.32 -3.21 121.20 117.18 1quw s ILE 76 Ca 0.08 0.24 -0.11 0.00 0.00 0.00 0.00 60.65 60.87 1quw s ILE 76 Cb -0.11 -0.37 -0.05 0.00 0.01 0.00 0.00 42.46 41.94 1quw s ILE 76 CO 0.01 0.10 0.26 -0.22 0.00 0.00 0.00 174.94 175.09 1quw s LEU 77 N 1.90 4.39 0.22 2.97 0.20 -1.23 -0.49 118.68 126.63 1quw s LEU 77 Ca -0.03 0.63 0.10 0.00 0.69 0.00 0.00 54.13 55.53 1quw s LEU 77 Cb -0.11 -2.30 -0.04 0.00 -0.43 0.00 0.00 46.19 43.30 1quw s LEU 77 CO -0.08 0.32 -0.12 -0.36 -0.29 0.00 0.00 176.35 175.81 1quw s PHE 78 N -0.72 2.52 0.00 5.38 0.40 -0.65 0.46 117.98 125.37 1quw s PHE 78 Ca 0.18 -0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.24 1quw s PHE 78 Cb -0.14 -1.19 0.00 0.00 0.51 0.00 0.00 43.02 42.20 1quw s PHE 78 CO 0.07 0.57 0.00 1.63 0.70 0.00 0.00 175.22 178.18 1quw n LYS 79 N -0.20 0.00 -2.56 0.44 5.02 -1.15 -1.47 118.16 118.24 1quw n LYS 79 Ca -0.09 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 55.93 1quw n LYS 79 Cb 0.57 -0.12 -0.01 0.00 -0.02 0.00 0.00 35.03 35.46 1quw n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1quw n GLY 80 N 2.92 5.91 1.37 0.72 0.00 -1.25 -3.66 105.19 111.21 1quw n GLY 80 Ca 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 46.02 43.26 1quw n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1quw n GLY 81 N -0.44 0.74 3.01 -0.02 0.00 -0.15 -4.70 105.19 103.63 1quw n GLY 81 Ca 0.37 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 1quw n GLY 81 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1quw s ARG 82 N -2.29 0.16 0.07 1.61 3.00 -1.26 -5.01 118.95 115.23 1quw s ARG 82 Ca 0.00 0.65 -0.31 0.00 -1.00 0.00 0.00 55.73 55.07 1quw s ARG 82 Cb 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 34.95 34.80 1quw s ARG 82 CO 0.00 -0.24 1.38 -1.25 0.00 0.00 0.00 175.30 175.19 1quw s PRO 83 N 1.97 4.32 -0.04 5.12 0.04 -1.26 -2.95 135.00 142.20 1quw s PRO 83 Ca -0.03 2.01 -0.19 0.00 0.04 0.00 0.00 61.00 62.83 1quw s PRO 83 Cb -0.11 -3.38 -0.13 0.00 0.04 0.00 0.00 34.50 30.91 1quw s PRO 83 CO -0.08 -0.48 0.83 0.28 0.04 0.00 0.00 177.00 177.59 1quw h VAL 84 N 4.53 0.51 -3.64 -0.36 2.07 -0.34 -3.46 116.25 115.56 1quw h VAL 84 Ca -0.41 -0.86 -0.20 0.00 0.82 0.00 0.00 66.70 66.05 1quw h VAL 84 Cb 1.20 0.83 -0.25 0.00 -1.52 0.00 0.00 31.29 31.55 1quw h VAL 84 CO 0.87 0.12 -0.64 -0.54 0.02 0.00 0.00 177.57 177.41 1quw s LYS 85 N -3.54 0.17 -0.23 1.57 1.02 -1.26 -5.05 119.74 112.42 1quw s LYS 85 Ca -0.11 -0.09 0.02 0.00 0.02 0.00 0.00 55.97 55.81 1quw s LYS 85 Cb 0.01 0.07 0.05 0.00 -0.52 0.00 0.00 37.83 37.44 1quw s LYS 85 CO 0.40 -0.03 -0.13 -1.14 -0.92 0.00 0.00 175.35 173.53 1quw s GLN 86 N -0.40 2.41 0.15 1.68 0.74 -1.26 -3.50 119.66 119.48 1quw s GLN 86 Ca -0.05 -1.17 0.09 0.00 0.05 0.00 0.00 55.36 54.28 1quw s GLN 86 Cb -0.03 -2.76 -0.04 0.00 1.10 0.00 0.00 33.01 31.28 1quw s GLN 86 CO 0.00 -0.47 -0.13 -0.48 -0.55 0.00 0.00 175.29 173.67 1quw s LEU 87 N 1.18 2.88 0.24 3.68 2.34 -1.20 -5.07 118.68 122.74 1quw s LEU 87 Ca -0.05 -0.55 0.01 0.00 0.06 0.00 0.00 54.13 53.60 1quw s LEU 87 Cb -0.18 -1.63 -0.05 0.00 -0.56 0.00 0.00 46.19 43.77 1quw s LEU 87 CO -0.07 0.14 0.10 0.27 -1.06 0.00 0.00 176.35 175.72 1quw s ILE 88 N -1.46 0.44 0.00 1.48 -0.00 -1.26 -2.74 121.20 117.66 1quw s ILE 88 Ca 0.22 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 58.87 1quw s ILE 88 Cb -0.10 -2.58 0.00 0.00 -0.00 0.00 0.00 42.46 39.78 1quw s ILE 88 CO 0.13 -0.02 0.00 0.61 -0.00 0.00 0.00 174.94 175.66 1quw n GLY 89 N -0.41 -1.17 3.73 6.27 0.00 0.03 -4.69 105.19 108.94 1quw n GLY 89 Ca 0.00 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 1quw n GLY 89 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1quw s TYR 90 N 0.00 3.77 -0.23 1.61 5.04 -1.26 -4.38 117.35 121.90 1quw s TYR 90 Ca 0.00 1.70 -0.01 0.00 -2.44 0.00 0.00 57.07 56.32 1quw s TYR 90 Cb 0.00 -3.00 0.07 0.00 0.35 0.00 0.00 41.96 39.38 1quw s TYR 90 CO 0.00 0.19 0.02 1.14 -1.34 0.00 0.00 175.55 175.56 1quw s GLN 91 N 0.13 0.99 0.89 4.97 -2.07 -1.26 -5.12 119.66 118.19 1quw s GLN 91 Ca 0.45 -0.74 -0.15 0.00 -1.82 0.00 0.00 55.36 53.11 1quw s GLN 91 Cb -0.22 -2.27 -0.03 0.00 -1.09 0.00 0.00 33.01 29.40 1quw s GLN 91 CO 0.28 -0.69 0.14 -2.30 -1.32 0.00 0.00 175.29 171.40 1quw n PRO 92 N 4.88 -0.07 0.31 9.60 -0.02 -1.26 -4.49 135.00 143.95 1quw n PRO 92 Ca -0.09 0.01 0.20 0.00 -2.02 0.00 0.00 63.50 61.60 1quw n PRO 92 Cb 0.45 -1.62 1.05 0.00 -0.02 0.00 0.00 33.50 33.36 1quw n PRO 92 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1quw h LYS 93 N -1.08 0.00 -0.19 -0.52 3.64 -1.98 0.33 116.57 116.77 1quw h LYS 93 Ca -0.44 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.89 1quw h LYS 93 Cb 1.31 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 1quw h LYS 93 CO 0.34 0.00 -0.06 0.93 -2.27 0.00 0.00 179.45 178.39 1quw h GLU 94 N 0.00 0.38 -0.31 1.90 3.07 -2.00 -0.53 114.58 117.09 1quw h GLU 94 Ca 0.01 -0.15 -0.04 0.00 -0.50 0.00 0.00 59.36 58.68 1quw h GLU 94 Cb 0.18 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 1quw h GLU 94 CO -0.00 0.65 0.04 1.96 -1.40 0.00 0.00 179.01 180.26 1quw h GLN 95 N 0.09 0.53 -0.04 2.33 1.08 -1.31 -2.74 115.11 115.05 1quw h GLN 95 Ca 0.05 -0.15 0.02 0.00 -1.45 0.00 0.00 58.65 57.12 1quw h GLN 95 Cb 0.52 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 1quw h GLN 95 CO 0.02 0.64 -0.08 -0.07 -0.95 0.00 0.00 178.83 178.39 1quw h LEU 96 N 0.35 -0.24 -0.92 1.46 3.38 -1.09 0.18 115.31 118.43 1quw h LEU 96 Ca 0.09 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1quw h LEU 96 Cb 0.37 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1quw h LEU 96 CO 0.01 -0.12 0.40 -0.33 0.09 0.00 0.00 178.44 178.50 1quw h GLU 97 N -0.12 1.17 -0.19 1.13 4.39 -1.09 0.15 114.58 120.03 1quw h GLU 97 Ca 0.05 -0.16 -0.11 0.00 0.34 0.00 0.00 59.36 59.47 1quw h GLU 97 Cb 0.18 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1quw h GLU 97 CO -0.11 0.89 -0.30 0.00 -1.16 0.00 0.00 179.01 178.33 1quw h ALA 98 N 1.27 0.29 0.07 3.43 0.00 -1.32 -2.80 119.26 120.20 1quw h ALA 98 Ca 0.28 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1quw h ALA 98 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1quw h ALA 98 CO -0.04 0.31 -0.03 0.37 0.00 0.00 0.00 179.25 179.86 1quw h GLN 99 N 0.19 -0.09 0.00 0.00 5.75 -0.29 -3.21 115.11 117.46 1quw h GLN 99 Ca 0.01 0.01 -0.17 0.00 -0.15 0.00 0.00 58.65 58.35 1quw h GLN 99 Cb 0.89 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.43 1quw h GLN 99 CO 0.07 0.16 -0.82 -0.07 -2.65 0.00 0.00 178.83 175.51 1quw h LEU 100 N -0.34 0.00 -2.10 -2.39 -0.00 -0.82 -2.96 115.31 106.69 1quw h LEU 100 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 1quw h LEU 100 Cb 0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.95 1quw h LEU 100 CO 0.02 0.82 -0.03 0.00 -0.00 0.00 0.00 178.44 179.25 1quw h ALA 101 N 1.18 1.76 -0.43 1.53 0.00 -1.55 -1.19 119.26 120.56 1quw h ALA 101 Ca -0.01 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1quw h ALA 101 Cb 1.47 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1quw h ALA 101 CO 0.11 0.04 -0.10 0.22 0.00 0.00 0.00 179.25 179.52 1quw h ASP 102 N 0.00 0.83 1.26 0.00 3.58 -1.52 -3.05 116.42 117.53 1quw h ASP 102 Ca -0.00 -0.36 -0.13 0.00 0.42 0.00 0.00 57.03 56.96 1quw h ASP 102 Cb 0.06 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 1quw h ASP 102 CO 0.00 1.00 -0.76 -0.37 -2.88 0.00 0.00 179.24 176.23 1quw h VAL 103 N 0.65 0.81 0.05 2.25 -1.51 -1.53 -3.36 116.25 113.60 1quw h VAL 103 Ca 0.11 -2.21 -0.25 0.00 -1.23 0.00 0.00 66.70 63.12 1quw h VAL 103 Cb 0.63 2.34 -0.02 0.00 -2.13 0.00 0.00 31.29 32.11 1quw h VAL 103 CO 0.04 0.46 -1.21 -0.07 -1.23 0.00 0.00 177.57 175.56 1quw h LEU 104 N 0.00 0.16 0.00 4.19 3.38 -1.24 -3.49 115.31 118.31 1quw h LEU 104 Ca -0.04 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1quw h LEU 104 Cb 1.45 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1quw h LEU 104 CO 0.06 1.15 0.00 0.00 0.09 0.00 0.00 178.44 179.75