#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 4.35 0.46 0.00 -4.23 -1.26 -4.71 115.64 110.25 1quw s THR 2 Ca 0.00 1.56 -0.02 0.00 -1.18 0.00 0.00 61.69 62.05 1quw s THR 2 Cb 0.00 -3.70 -0.01 0.00 1.34 0.00 0.00 72.50 70.13 1quw s THR 2 CO 0.00 -0.21 0.71 -0.32 -0.54 0.00 0.00 174.62 174.26 1quw s MET 3 N -2.91 3.21 -0.18 3.99 -2.45 -0.81 -4.97 119.30 115.18 1quw s MET 3 Ca 0.59 -0.23 -0.01 0.00 -1.25 0.00 0.00 55.69 54.79 1quw s MET 3 Cb -0.11 -2.49 0.05 0.00 1.25 0.00 0.00 34.83 33.53 1quw s MET 3 CO 0.16 -0.25 -0.02 0.99 1.05 0.00 0.00 175.02 176.94 1quw s THR 4 N -2.63 0.94 0.46 10.11 2.01 -1.26 -1.21 115.64 124.07 1quw s THR 4 Ca 0.48 -0.65 0.07 0.00 0.31 0.00 0.00 61.69 61.89 1quw s THR 4 Cb -0.10 -1.23 0.02 0.00 0.01 0.00 0.00 72.50 71.20 1quw s THR 4 CO 0.40 -0.00 0.64 -0.76 -0.69 0.00 0.00 174.62 174.21 1quw s LEU 5 N 1.69 3.53 0.11 4.42 1.02 -0.17 -4.86 118.68 124.43 1quw s LEU 5 Ca -0.01 -0.37 -0.15 0.00 0.02 0.00 0.00 54.13 53.62 1quw s LEU 5 Cb -0.16 -2.62 0.03 0.00 0.02 0.00 0.00 46.19 43.46 1quw s LEU 5 CO -0.07 -0.90 0.37 0.28 0.02 0.00 0.00 176.35 176.05 1quw s THR 6 N -2.47 0.08 0.31 5.49 -1.32 -1.26 -4.46 115.64 112.00 1quw s THR 6 Ca 0.56 -0.65 0.10 0.00 -1.21 0.00 0.00 61.69 60.49 1quw s THR 6 Cb -0.10 -1.17 0.35 0.00 -1.51 0.00 0.00 72.50 70.08 1quw s THR 6 CO 0.35 -0.36 1.42 -0.90 -2.21 0.00 0.00 174.62 172.92 1quw n ASP 7 N -0.13 0.09 -0.08 8.08 5.75 -1.26 0.10 116.55 129.10 1quw n ASP 7 Ca -0.16 1.52 -0.15 0.00 -0.01 0.00 0.00 54.79 55.98 1quw n ASP 7 Cb 0.63 -0.64 -0.11 0.00 -1.03 0.00 0.00 41.12 39.97 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 1.81 0.09 -0.04 2.12 0.00 -2.02 -3.29 119.26 117.93 1quw h ALA 8 Ca 0.65 -0.71 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1quw h ALA 8 Cb 1.55 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1quw h ALA 8 CO -0.78 0.26 -0.19 -0.97 0.00 0.00 0.00 179.25 177.57 1quw h ASN 9 N -1.00 0.06 -0.42 0.00 -1.24 -1.77 -2.88 115.58 108.33 1quw h ASN 9 Ca -0.12 -0.01 0.09 0.00 0.71 0.00 0.00 56.30 56.97 1quw h ASN 9 Cb 1.02 -0.01 -0.09 0.00 0.73 0.00 0.00 38.32 39.96 1quw h ASN 9 CO -0.07 0.26 -0.26 0.15 -1.29 0.00 0.00 177.43 176.21 1quw h PHE 10 N 0.06 -0.69 0.00 0.67 3.04 0.57 0.20 116.94 120.79 1quw h PHE 10 Ca 0.01 0.05 -0.08 0.00 3.98 0.00 0.00 57.97 61.93 1quw h PHE 10 Cb 0.38 0.37 -0.01 0.00 2.56 0.00 0.00 35.95 39.24 1quw h PHE 10 CO 0.00 -0.33 -0.39 1.96 -2.02 0.00 0.00 178.31 177.53 1quw h GLN 11 N -0.18 0.00 0.06 1.11 1.08 -1.58 -2.09 115.11 113.52 1quw h GLN 11 Ca 0.20 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 57.16 1quw h GLN 11 Cb 0.49 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1quw h GLN 11 CO -0.53 0.39 -1.06 0.37 -0.95 0.00 0.00 178.83 177.05 1quw h GLN 12 N 0.00 0.29 -0.18 1.46 4.15 -1.48 -3.31 115.11 116.04 1quw h GLN 12 Ca -0.00 -0.39 -0.00 0.00 0.77 0.00 0.00 58.65 59.02 1quw h GLN 12 Cb 0.73 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.55 1quw h GLN 12 CO 0.05 1.12 0.11 0.00 -1.93 0.00 0.00 178.83 178.18 1quw h ALA 13 N 0.72 0.23 0.00 3.38 0.00 0.07 -2.97 119.26 120.69 1quw h ALA 13 Ca -0.09 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1quw h ALA 13 Cb 1.74 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 1quw h ALA 13 CO 0.17 -0.27 -0.22 -0.84 0.00 0.00 0.00 179.25 178.09 1quw h ILE 14 N 0.22 0.51 0.00 0.00 3.07 -1.61 -3.03 117.51 116.66 1quw h ILE 14 Ca 0.06 -1.15 0.00 0.00 1.55 0.00 0.00 64.86 65.32 1quw h ILE 14 Cb 0.01 1.81 0.00 0.00 -0.27 0.00 0.00 36.82 38.37 1quw h ILE 14 CO -0.01 0.21 0.00 0.00 -1.05 0.00 0.00 178.15 177.30 1quw n GLN 15 N -3.34 0.19 0.00 0.16 1.13 -1.12 -1.24 117.38 113.16 1quw n GLN 15 Ca 0.00 0.25 0.00 0.00 -1.94 0.00 0.00 57.00 55.31 1quw n GLN 15 Cb 0.45 -1.76 0.00 0.00 0.11 0.00 0.00 30.24 29.04 1quw n GLN 15 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1quw n GLY 16 N 0.86 -2.30 2.21 1.08 0.00 -1.15 -4.65 105.19 101.24 1quw n GLY 16 Ca 0.05 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1quw n GLY 16 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1quw n ASP 17 N -0.37 -3.81 -4.97 1.61 5.75 -1.26 -5.02 116.55 108.47 1quw n ASP 17 Ca 0.00 0.83 -0.19 0.00 -0.01 0.00 0.00 54.79 55.42 1quw n ASP 17 Cb 0.00 3.58 0.04 0.00 -1.03 0.00 0.00 41.12 43.71 1quw n ASP 17 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1quw s LYS 18 N -2.00 2.52 0.33 0.11 -2.85 -1.26 -4.62 119.74 111.97 1quw s LYS 18 Ca 0.00 -1.23 -0.28 0.00 -1.00 0.00 0.00 55.97 53.46 1quw s LYS 18 Cb 0.00 -2.63 -0.12 0.00 -2.06 0.00 0.00 37.83 33.02 1quw s LYS 18 CO 0.00 -0.63 1.32 -2.30 0.10 0.00 0.00 175.35 173.84 1quw n PRO 19 N -2.15 2.16 -3.77 1.78 -0.02 -1.26 -4.76 135.00 126.98 1quw n PRO 19 Ca 0.11 0.76 -0.26 0.00 -2.02 0.00 0.00 63.50 62.08 1quw n PRO 19 Cb 0.60 -2.36 -0.17 0.00 -0.02 0.00 0.00 33.50 31.55 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 -0.98 0.56 -0.35 -1.45 1.01 0.55 -3.82 120.40 115.91 1quw s VAL 20 Ca 0.57 -0.38 -0.23 0.00 0.00 0.00 0.00 61.98 61.93 1quw s VAL 20 Cb -0.57 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 34.89 1quw s VAL 20 CO 0.61 -0.04 0.78 -0.22 0.00 0.00 0.00 175.10 176.23 1quw s LEU 21 N 1.86 4.13 -0.17 3.92 2.96 -0.29 -1.13 118.68 129.95 1quw s LEU 21 Ca 0.01 0.40 -0.13 0.00 -0.22 0.00 0.00 54.13 54.19 1quw s LEU 21 Cb -0.15 -3.03 -0.05 0.00 0.50 0.00 0.00 46.19 43.46 1quw s LEU 21 CO -0.07 -0.71 0.24 -0.69 -1.32 0.00 0.00 176.35 173.80 1quw s VAL 22 N 3.06 5.34 -0.29 1.68 1.01 -0.13 0.32 120.40 131.39 1quw s VAL 22 Ca 0.31 0.44 -0.10 0.00 0.00 0.00 0.00 61.98 62.63 1quw s VAL 22 Cb -0.13 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1quw s VAL 22 CO 0.16 0.40 0.16 -1.81 0.00 0.00 0.00 175.10 174.01 1quw s ASP 23 N 0.43 5.65 -0.28 3.32 1.11 0.24 -1.50 116.67 125.63 1quw s ASP 23 Ca 0.14 -0.32 -0.16 0.00 0.18 0.00 0.00 52.55 52.39 1quw s ASP 23 Cb -0.12 -2.03 -0.03 0.00 1.07 0.00 0.00 42.92 41.81 1quw s ASP 23 CO 0.02 -0.13 0.44 -0.36 1.18 0.00 0.00 175.17 176.32 1quw s PHE 24 N 1.66 3.24 0.28 4.23 0.40 0.71 -1.67 117.98 126.84 1quw s PHE 24 Ca 0.06 0.42 -0.10 0.00 -0.60 0.00 0.00 56.93 56.71 1quw s PHE 24 Cb -0.16 -2.69 0.00 0.00 0.51 0.00 0.00 43.02 40.68 1quw s PHE 24 CO 0.07 -0.31 0.48 1.67 0.70 0.00 0.00 175.22 177.84 1quw s TRP 25 N 2.20 0.58 0.04 0.36 1.48 -1.14 -1.95 118.94 120.52 1quw s TRP 25 Ca 0.17 -0.93 0.00 0.00 -1.06 0.00 0.00 56.10 54.29 1quw s TRP 25 Cb -0.16 0.13 -0.03 0.00 -1.16 0.00 0.00 33.47 32.25 1quw s TRP 25 CO 0.10 -1.06 -0.05 0.00 -4.06 0.00 0.00 176.95 171.88 1quw s ALA 26 N -3.61 0.43 0.24 2.67 0.00 -1.26 -2.50 121.76 117.72 1quw s ALA 26 Ca 0.25 -0.88 0.14 0.00 0.00 0.00 0.00 51.96 51.47 1quw s ALA 26 Cb -0.01 0.16 0.50 0.00 0.00 0.00 0.00 23.12 23.77 1quw s ALA 26 CO 0.13 -0.19 1.67 0.00 0.00 0.00 0.00 175.76 177.37 1quw h ALA 27 N 4.04 1.01 -0.05 0.00 0.00 -2.02 -2.69 119.26 119.54 1quw h ALA 27 Ca -0.34 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1quw h ALA 27 Cb 1.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1quw h ALA 27 CO 0.50 0.64 0.00 -2.67 0.00 0.00 0.00 179.25 177.72 1quw n TRP 28 N -3.71 0.06 -2.43 0.00 4.27 -1.26 -4.94 117.44 109.43 1quw n TRP 28 Ca -0.01 -0.03 -0.37 0.00 -3.89 0.00 0.00 57.50 53.20 1quw n TRP 28 Cb 0.56 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.48 1quw n TRP 28 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1quw h GLY 30 N 2.35 0.00 1.67 0.00 0.00 -1.92 -3.41 103.07 101.76 1quw h GLY 30 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1quw h GLY 30 CO 0.62 0.00 0.00 -1.55 0.00 0.00 0.00 176.54 175.61 1quw n PRO 31 N -4.62 0.29 0.23 4.80 -0.04 -1.26 -2.33 135.00 132.06 1quw n PRO 31 Ca -0.07 0.04 0.10 0.00 -0.04 0.00 0.00 63.50 63.53 1quw n PRO 31 Cb 0.26 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.71 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 0.00 -0.42 0.00 9.65 -1.69 -2.95 114.38 118.97 1quw h ARG 33 Ca -0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 1quw h ARG 33 Cb 0.69 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.25 1quw h ARG 33 CO 0.03 0.13 0.19 0.52 2.80 0.00 0.00 179.97 183.64 1quw h MET 34 N 0.00 0.62 -0.09 0.20 2.86 -1.73 -2.28 114.93 114.50 1quw h MET 34 Ca -0.00 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1quw h MET 34 Cb 0.29 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1quw h MET 34 CO 0.02 0.55 0.00 0.00 1.06 0.00 0.00 176.91 178.53 1quw n MET 35 N -4.66 1.38 -0.21 1.72 -0.00 -1.13 -4.23 117.12 109.99 1quw n MET 35 Ca 0.00 -0.57 -0.01 0.00 -0.00 0.00 0.00 57.70 57.12 1quw n MET 35 Cb 0.12 -1.33 0.06 0.00 -0.00 0.00 0.00 33.22 32.08 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 3.78 0.41 0.00 3.17 0.00 -1.24 -2.51 119.26 122.87 1quw h ALA 36 Ca 0.00 0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.97 1quw h ALA 36 Cb 0.25 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1quw h ALA 36 CO 0.00 -0.42 -0.86 -1.00 0.00 0.00 0.00 179.25 176.97 1quw h PRO 37 N 0.00 0.02 -0.25 0.00 0.13 -1.79 -3.16 132.00 126.94 1quw h PRO 37 Ca 0.30 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 65.35 1quw h PRO 37 Cb 0.46 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 1quw h PRO 37 CO -0.64 0.86 -0.13 -0.39 -0.23 0.00 0.00 178.00 177.47 1quw h VAL 38 N 0.01 1.22 -0.15 1.56 -1.51 -1.76 -2.39 116.25 113.23 1quw h VAL 38 Ca -0.01 -0.98 -0.03 0.00 -1.23 0.00 0.00 66.70 64.45 1quw h VAL 38 Cb 1.51 1.18 -0.00 0.00 -2.13 0.00 0.00 31.29 31.84 1quw h VAL 38 CO 0.11 0.32 -0.04 -0.07 -1.23 0.00 0.00 177.57 176.66 1quw h LEU 39 N 0.40 0.29 -1.28 4.19 3.38 -1.43 0.11 115.31 120.98 1quw h LEU 39 Ca 0.07 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1quw h LEU 39 Cb 0.47 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1quw h LEU 39 CO 0.03 0.60 0.08 -0.33 0.09 0.00 0.00 178.44 178.91 1quw h GLU 40 N -0.02 0.57 -0.01 1.13 4.39 -1.51 -0.52 114.58 118.61 1quw h GLU 40 Ca 0.04 -0.10 -0.11 0.00 0.34 0.00 0.00 59.36 59.53 1quw h GLU 40 Cb 0.48 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1quw h GLU 40 CO 0.02 0.54 -0.50 0.93 -1.16 0.00 0.00 179.01 178.83 1quw h GLU 41 N 0.56 0.03 -0.08 2.33 5.08 -1.29 -3.17 114.58 118.03 1quw h GLU 41 Ca 0.13 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 1quw h GLU 41 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1quw h GLU 41 CO -0.00 0.52 -0.30 0.35 -1.00 0.00 0.00 179.01 178.59 1quw h PHE 42 N 0.02 0.46 0.00 4.33 3.57 0.79 -1.87 116.94 124.24 1quw h PHE 42 Ca -0.00 -0.19 -0.07 0.00 3.53 0.00 0.00 57.97 61.24 1quw h PHE 42 Cb 0.90 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 1quw h PHE 42 CO 0.00 0.91 -0.33 0.00 -2.23 0.00 0.00 178.31 176.66 1quw h ALA 43 N 0.46 1.42 0.00 2.41 0.00 -1.42 -1.27 119.26 120.86 1quw h ALA 43 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1quw h ALA 43 Cb 0.93 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1quw h ALA 43 CO 0.06 0.42 -0.05 0.39 0.00 0.00 0.00 179.25 180.07 1quw n GLU 44 N -4.10 0.01 -0.07 0.00 -0.58 -1.19 -1.64 120.64 113.08 1quw n GLU 44 Ca -0.02 0.01 -0.07 0.00 -0.42 0.00 0.00 57.16 56.66 1quw n GLU 44 Cb 0.38 -1.52 -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 2.97 0.04 0.00 0.62 0.00 -0.38 -3.42 119.26 119.09 1quw h ALA 45 Ca 0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 1quw h ALA 45 Cb 0.51 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1quw h ALA 45 CO 0.00 0.21 -0.61 0.45 0.00 0.00 0.00 179.25 179.29 1quw h HIS 46 N -1.00 0.00 0.00 0.00 3.86 -1.59 -3.47 115.15 112.96 1quw h HIS 46 Ca -0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1quw h HIS 46 Cb 0.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1quw h HIS 46 CO 0.03 1.12 0.00 0.00 0.86 0.00 0.00 177.93 179.94 1quw n ALA 47 N -3.05 0.00 0.07 2.45 0.00 -0.65 -3.69 120.51 115.64 1quw n ALA 47 Ca -0.20 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.22 1quw n ALA 47 Cb 0.54 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.00 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 3.05 4.39 0.00 0.00 5.75 -1.26 -3.64 116.55 124.83 1quw n ASP 48 Ca 0.00 -2.35 0.00 0.00 -0.01 0.00 0.00 54.79 52.43 1quw n ASP 48 Cb 0.00 -0.84 0.00 0.00 -1.03 0.00 0.00 41.12 39.25 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 0.84 0.00 -3.41 0.11 3.00 -1.24 -5.12 118.16 112.34 1quw n LYS 49 Ca 0.06 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.18 1quw n LYS 49 Cb 0.56 -0.22 -0.01 0.00 0.00 0.00 0.00 35.03 35.37 1quw n LYS 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1quw s VAL 50 N -1.43 3.78 -0.44 3.15 -7.23 -1.24 -4.69 120.40 112.31 1quw s VAL 50 Ca 0.00 -1.04 0.02 0.00 -1.81 0.00 0.00 61.98 59.16 1quw s VAL 50 Cb 0.00 -3.30 0.13 0.00 0.56 0.00 0.00 36.38 33.77 1quw s VAL 50 CO 0.00 -0.12 0.22 -0.89 -0.31 0.00 0.00 175.10 173.99 1quw s THR 51 N -2.23 1.67 -0.90 5.32 2.01 -1.25 -4.76 115.64 115.51 1quw s THR 51 Ca 0.47 -2.61 -0.24 0.00 0.31 0.00 0.00 61.69 59.62 1quw s THR 51 Cb -0.09 -2.18 0.05 0.00 0.01 0.00 0.00 72.50 70.29 1quw s THR 51 CO 0.31 -0.84 1.34 -0.69 -0.69 0.00 0.00 174.62 174.06 1quw s VAL 52 N 0.36 3.93 0.50 3.82 1.01 -1.26 -1.14 120.40 127.63 1quw s VAL 52 Ca 0.16 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 61.83 1quw s VAL 52 Cb -0.24 -4.97 0.05 0.00 0.00 0.00 0.00 36.38 31.22 1quw s VAL 52 CO -0.02 -1.85 0.67 0.00 0.00 0.00 0.00 175.10 173.89 1quw s ALA 53 N 5.01 4.61 -0.17 5.51 0.00 0.15 -1.93 121.76 134.95 1quw s ALA 53 Ca 0.40 -1.90 -0.02 0.00 0.00 0.00 0.00 51.96 50.44 1quw s ALA 53 Cb -0.04 -1.52 0.05 0.00 0.00 0.00 0.00 23.12 21.61 1quw s ALA 53 CO -0.00 -0.56 0.01 0.15 0.00 0.00 0.00 175.76 175.35 1quw s LYS 54 N -4.50 0.84 -0.15 0.00 -0.14 -0.35 -0.59 119.74 114.85 1quw s LYS 54 Ca 0.58 -0.36 -0.01 0.00 -1.36 0.00 0.00 55.97 54.82 1quw s LYS 54 Cb -0.08 -1.89 -0.01 0.00 -1.68 0.00 0.00 37.83 34.18 1quw s LYS 54 CO 0.36 -0.53 -0.12 -1.17 -0.76 0.00 0.00 175.35 173.12 1quw s LEU 55 N 1.82 2.68 -0.23 3.17 1.98 -0.67 -0.99 118.68 126.43 1quw s LEU 55 Ca 0.00 -0.38 -0.25 0.00 -2.89 0.00 0.00 54.13 50.62 1quw s LEU 55 Cb -0.16 -1.62 -0.01 0.00 0.66 0.00 0.00 46.19 45.07 1quw s LEU 55 CO -0.07 0.11 0.85 0.20 -1.89 0.00 0.00 176.35 175.55 1quw s ASN 56 N 0.66 6.88 0.45 3.68 -0.87 -1.26 -2.90 114.94 121.58 1quw s ASN 56 Ca -0.06 1.09 0.25 0.00 -1.57 0.00 0.00 52.86 52.57 1quw s ASN 56 Cb -0.15 -2.45 0.98 0.00 -0.02 0.00 0.00 41.25 39.61 1quw s ASN 56 CO 0.02 -0.50 1.85 -0.37 -2.57 0.00 0.00 177.10 175.53 1quw h VAL 57 N 5.38 0.50 0.10 1.60 -1.51 -1.71 -0.10 116.25 120.51 1quw h VAL 57 Ca -0.24 -1.04 -0.21 0.00 -1.23 0.00 0.00 66.70 63.98 1quw h VAL 57 Cb 1.10 1.72 0.02 0.00 -2.13 0.00 0.00 31.29 32.00 1quw h VAL 57 CO 0.87 0.19 -0.88 -0.78 -1.23 0.00 0.00 177.57 175.75 1quw h ASP 58 N 0.00 0.60 0.47 4.19 3.58 -1.91 -3.37 116.42 119.98 1quw h ASP 58 Ca -0.00 -0.87 -0.30 0.00 0.42 0.00 0.00 57.03 56.28 1quw h ASP 58 Cb 0.71 -0.19 0.01 0.00 1.72 0.00 0.00 39.33 41.58 1quw h ASP 58 CO 0.03 1.40 -1.40 -0.08 -2.88 0.00 0.00 179.24 176.31 1quw h GLU 59 N -0.12 0.35 -4.56 0.28 4.81 -1.94 -3.42 114.58 109.98 1quw h GLU 59 Ca -0.14 -0.60 -0.69 0.00 -0.13 0.00 0.00 59.36 57.80 1quw h GLU 59 Cb 1.63 0.22 -0.34 0.00 0.63 0.00 0.00 28.75 30.89 1quw h GLU 59 CO 0.17 1.27 -0.59 -0.80 -0.73 0.00 0.00 179.01 178.33 1quw s ASN 60 N -7.25 5.16 0.00 1.04 0.01 -0.06 -4.96 114.94 108.89 1quw s ASN 60 Ca -0.07 -1.87 0.22 0.00 -0.71 0.00 0.00 52.86 50.44 1quw s ASN 60 Cb 0.06 -1.80 0.01 0.00 0.41 0.00 0.00 41.25 39.94 1quw s ASN 60 CO 0.89 -0.47 1.07 -0.81 -1.51 0.00 0.00 177.10 176.27 1quw n PRO 61 N 4.58 0.13 0.05 -0.60 -0.04 -1.26 -4.31 135.00 133.56 1quw n PRO 61 Ca -0.04 -0.10 -0.20 0.00 -0.04 0.00 0.00 63.50 63.12 1quw n PRO 61 Cb 0.42 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.25 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 0.24 0.42 0.07 0.54 -0.00 -1.94 -2.33 114.58 111.58 1quw h GLU 62 Ca 0.00 -0.59 -0.26 0.00 -0.00 0.00 0.00 59.36 58.51 1quw h GLU 62 Cb 0.52 0.20 0.01 0.00 -0.00 0.00 0.00 28.75 29.48 1quw h GLU 62 CO 0.00 1.25 -1.10 0.00 -0.00 0.00 0.00 179.01 179.15 1quw h THR 63 N -0.13 1.39 -0.01 -1.06 1.03 -1.92 -0.64 112.91 111.57 1quw h THR 63 Ca -0.14 -2.60 -0.08 0.00 -0.01 0.00 0.00 66.41 63.58 1quw h THR 63 Cb 1.64 2.62 -0.01 0.00 -1.07 0.00 0.00 68.15 71.33 1quw h THR 63 CO 0.17 0.77 -0.39 0.00 -0.01 0.00 0.00 175.52 176.06 1quw h THR 64 N 0.21 1.29 0.05 0.00 1.03 -1.75 -1.65 112.91 112.09 1quw h THR 64 Ca -0.12 -1.36 -0.23 0.00 -0.01 0.00 0.00 66.41 64.68 1quw h THR 64 Cb 1.77 1.72 -0.01 0.00 -1.07 0.00 0.00 68.15 70.56 1quw h THR 64 CO 0.19 0.39 -1.08 -1.28 -0.01 0.00 0.00 175.52 173.73 1quw h SER 65 N 0.02 0.18 -0.51 0.00 0.87 -1.36 -0.79 113.55 111.96 1quw h SER 65 Ca -0.00 -0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.32 1quw h SER 65 Cb 0.70 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 1quw h SER 65 CO 0.05 1.13 0.16 -0.61 -0.53 0.00 0.00 176.83 177.03 1quw h GLN 66 N 0.04 0.79 0.16 2.24 5.75 -0.80 -3.19 115.11 120.09 1quw h GLN 66 Ca -0.06 -0.17 -0.30 0.00 -0.15 0.00 0.00 58.65 57.96 1quw h GLN 66 Cb 1.82 -0.11 0.01 0.00 1.07 0.00 0.00 27.48 30.27 1quw h GLN 66 CO 0.16 0.74 -1.42 0.74 -2.65 0.00 0.00 178.83 176.40 1quw h PHE 67 N 0.69 0.60 -0.64 3.99 0.04 -1.39 -3.49 116.94 116.74 1quw h PHE 67 Ca 0.16 -0.44 0.00 0.00 2.80 0.00 0.00 57.97 60.49 1quw h PHE 67 Cb 0.28 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.40 1quw h PHE 67 CO 0.02 1.40 0.00 0.41 -0.60 0.00 0.00 178.31 179.54 1quw n GLY 68 N 1.64 0.55 3.39 -1.45 0.00 -0.38 -5.01 105.19 103.92 1quw n GLY 68 Ca -0.14 -0.61 -0.45 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.78 5.25 -0.87 -0.61 -1.09 -0.72 -4.82 121.20 116.54 1quw s ILE 69 Ca 0.00 -2.20 0.26 0.00 -2.23 0.00 0.00 60.65 56.48 1quw s ILE 69 Cb 0.00 -4.64 0.11 0.00 -1.58 0.00 0.00 42.46 36.35 1quw s ILE 69 CO 0.00 -1.28 1.57 0.23 -1.23 0.00 0.00 174.94 174.23 1quw n MET 70 N 5.03 0.11 -3.31 2.79 2.81 -1.26 -4.65 117.12 118.63 1quw n MET 70 Ca 0.20 0.05 -0.17 0.00 -1.81 0.00 0.00 57.70 55.98 1quw n MET 70 Cb 0.47 -1.58 -0.07 0.00 -0.71 0.00 0.00 33.22 31.32 1quw n MET 70 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1quw s SER 71 N -3.50 0.89 0.48 7.83 0.01 -1.26 -5.12 113.70 113.03 1quw s SER 71 Ca 0.10 -1.78 -0.22 0.00 1.31 0.00 0.00 55.95 55.36 1quw s SER 71 Cb 0.16 0.59 -0.07 0.00 0.21 0.00 0.00 66.02 66.91 1quw s SER 71 CO 0.65 -0.22 1.14 0.27 0.41 0.00 0.00 173.24 175.49 1quw s ILE 72 N 1.19 3.20 0.38 1.44 -5.25 -1.26 -3.75 121.20 117.16 1quw s ILE 72 Ca 0.20 0.85 -0.24 0.00 -0.99 0.00 0.00 60.65 60.47 1quw s ILE 72 Cb -0.11 -3.40 -0.10 0.00 2.95 0.00 0.00 42.46 41.80 1quw s ILE 72 CO -0.05 -0.06 0.99 -2.16 -1.79 0.00 0.00 174.94 171.87 1quw s PRO 73 N -2.89 4.30 -0.03 0.37 0.04 -1.26 -4.73 135.00 130.80 1quw s PRO 73 Ca 0.66 1.36 -0.01 0.00 0.04 0.00 0.00 61.00 63.06 1quw s PRO 73 Cb -0.26 -2.53 0.03 0.00 0.04 0.00 0.00 34.50 31.78 1quw s PRO 73 CO 0.31 0.01 0.03 0.99 0.04 0.00 0.00 177.00 178.38 1quw s THR 74 N -1.77 0.03 -0.06 1.26 2.01 -0.82 -1.26 115.64 115.04 1quw s THR 74 Ca 0.57 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.81 1quw s THR 74 Cb -0.18 -0.20 -0.03 0.00 0.01 0.00 0.00 72.50 72.10 1quw s THR 74 CO 0.23 0.15 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.49 1quw s LEU 75 N 1.47 3.23 -0.06 4.42 1.43 -0.88 -0.20 118.68 128.09 1quw s LEU 75 Ca -0.04 -0.02 -0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1quw s LEU 75 Cb -0.13 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.38 1quw s LEU 75 CO -0.03 0.35 -0.03 -0.63 0.23 0.00 0.00 176.35 176.24 1quw s ILE 76 N -0.86 0.49 -0.22 -0.59 1.01 -0.56 -2.37 121.20 118.10 1quw s ILE 76 Ca 0.14 -0.03 -0.14 0.00 0.00 0.00 0.00 60.65 60.62 1quw s ILE 76 Cb -0.11 -0.57 -0.04 0.00 0.01 0.00 0.00 42.46 41.75 1quw s ILE 76 CO 0.03 0.24 0.29 -0.22 0.00 0.00 0.00 174.94 175.29 1quw s LEU 77 N 1.38 4.14 -0.10 2.97 1.98 -1.21 -0.95 118.68 126.89 1quw s LEU 77 Ca -0.04 0.34 -0.02 0.00 -2.89 0.00 0.00 54.13 51.52 1quw s LEU 77 Cb -0.13 -2.34 -0.03 0.00 0.66 0.00 0.00 46.19 44.35 1quw s LEU 77 CO -0.03 -0.01 -0.01 -0.36 -1.89 0.00 0.00 176.35 174.05 1quw s PHE 78 N 1.18 3.11 -0.02 5.38 0.40 -0.29 -0.11 117.98 127.63 1quw s PHE 78 Ca 0.14 0.07 -0.03 0.00 -0.60 0.00 0.00 56.93 56.50 1quw s PHE 78 Cb -0.14 -1.83 -0.01 0.00 0.51 0.00 0.00 43.02 41.55 1quw s PHE 78 CO 0.06 0.33 -0.06 1.17 0.70 0.00 0.00 175.22 177.42 1quw n LYS 79 N 2.52 0.10 -2.65 0.44 0.00 -0.99 -0.33 118.16 117.24 1quw n LYS 79 Ca -0.18 0.04 -0.29 0.00 0.00 0.00 0.00 58.31 57.87 1quw n LYS 79 Cb 0.53 -0.55 -0.01 0.00 0.00 0.00 0.00 35.03 35.00 1quw n LYS 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1quw n GLY 80 N 2.16 5.81 2.13 3.14 0.00 -1.26 -4.31 105.19 112.86 1quw n GLY 80 Ca -0.03 -2.74 -0.07 0.00 0.00 0.00 0.00 46.02 43.19 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 -0.34 0.50 3.64 -0.02 0.00 -0.37 -4.84 105.19 103.75 1quw n GLY 81 Ca 0.37 -0.40 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.37 0.59 -0.20 1.61 3.00 -1.26 -4.91 118.95 112.41 1quw s ARG 82 Ca 0.17 0.95 -0.29 0.00 -1.00 0.00 0.00 55.73 55.56 1quw s ARG 82 Cb -0.08 0.16 -0.01 0.00 0.00 0.00 0.00 34.95 35.02 1quw s ARG 82 CO 0.21 -0.11 1.22 -1.25 0.00 0.00 0.00 175.30 175.37 1quw s PRO 83 N 1.27 4.18 -0.05 5.12 0.04 -1.26 -2.34 135.00 141.96 1quw s PRO 83 Ca -0.07 1.52 -0.24 0.00 0.04 0.00 0.00 61.00 62.25 1quw s PRO 83 Cb -0.05 -3.76 -0.26 0.00 0.04 0.00 0.00 34.50 30.48 1quw s PRO 83 CO -0.15 -0.76 0.97 -0.39 0.04 0.00 0.00 177.00 176.71 1quw h VAL 84 N 5.57 1.55 -2.61 -0.36 -1.51 -0.88 -3.46 116.25 114.56 1quw h VAL 84 Ca -0.25 -2.19 -0.20 0.00 -1.23 0.00 0.00 66.70 62.84 1quw h VAL 84 Cb 1.09 2.94 -0.32 0.00 -2.13 0.00 0.00 31.29 32.88 1quw h VAL 84 CO 0.98 0.61 -0.51 -0.54 -1.23 0.00 0.00 177.57 176.88 1quw s LYS 85 N -2.82 0.21 -0.52 5.19 1.02 -1.25 -5.03 119.74 116.53 1quw s LYS 85 Ca -0.15 0.69 -0.16 0.00 0.02 0.00 0.00 55.97 56.37 1quw s LYS 85 Cb 0.01 -0.20 0.11 0.00 -0.52 0.00 0.00 37.83 37.22 1quw s LYS 85 CO 0.77 -0.38 0.49 -1.14 -0.92 0.00 0.00 175.35 174.17 1quw s GLN 86 N 2.46 3.00 0.09 1.68 0.74 -1.26 -3.31 119.66 123.06 1quw s GLN 86 Ca 0.03 -1.54 -0.05 0.00 0.05 0.00 0.00 55.36 53.86 1quw s GLN 86 Cb -0.13 -4.24 -0.05 0.00 1.10 0.00 0.00 33.01 29.69 1quw s GLN 86 CO -0.11 -1.25 0.33 -0.48 -0.55 0.00 0.00 175.29 173.24 1quw s LEU 87 N 1.74 4.31 0.11 3.68 2.34 -1.00 -5.00 118.68 124.86 1quw s LEU 87 Ca 0.04 0.56 0.03 0.00 0.06 0.00 0.00 54.13 54.83 1quw s LEU 87 Cb -0.27 -3.08 -0.04 0.00 -0.56 0.00 0.00 46.19 42.24 1quw s LEU 87 CO 0.05 0.13 -0.09 0.27 -1.06 0.00 0.00 176.35 175.64 1quw s ILE 88 N -1.53 0.94 0.00 1.48 -0.00 -1.26 -2.07 121.20 118.76 1quw s ILE 88 Ca 0.36 -1.77 0.00 0.00 -0.00 0.00 0.00 60.65 59.24 1quw s ILE 88 Cb -0.13 -1.51 0.00 0.00 -0.00 0.00 0.00 42.46 40.82 1quw s ILE 88 CO 0.22 -0.65 0.00 0.61 -0.00 0.00 0.00 174.94 175.12 1quw n GLY 89 N 0.30 -1.83 3.66 6.27 0.00 -0.38 -4.75 105.19 108.45 1quw n GLY 89 Ca -0.14 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 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 3.17 -0.29 1.61 5.04 -1.26 -4.55 117.35 121.07 1quw s TYR 90 Ca 0.00 1.30 0.01 0.00 -2.44 0.00 0.00 57.07 55.94 1quw s TYR 90 Cb 0.00 -3.35 0.06 0.00 0.35 0.00 0.00 41.96 39.02 1quw s TYR 90 CO 0.00 -0.93 -0.04 1.14 -1.34 0.00 0.00 175.55 174.38 1quw s GLN 91 N 3.24 2.26 1.25 4.97 0.00 -1.26 -5.11 119.66 125.00 1quw s GLN 91 Ca 0.48 -1.37 -0.17 0.00 -0.00 0.00 0.00 55.36 54.31 1quw s GLN 91 Cb -0.18 -3.06 0.28 0.00 0.00 0.00 0.00 33.01 30.05 1quw s GLN 91 CO 0.10 -0.64 0.77 -2.30 0.00 0.00 0.00 175.29 173.22 1quw n PRO 92 N 4.51 -3.00 -0.32 9.60 -0.02 -1.26 -4.55 135.00 139.95 1quw n PRO 92 Ca -0.12 -0.86 0.07 0.00 -2.02 0.00 0.00 63.50 60.56 1quw n PRO 92 Cb 0.43 -1.98 0.27 0.00 -0.02 0.00 0.00 33.50 32.19 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 -2.86 0.92 -0.09 -0.52 3.64 -1.99 -0.38 116.57 115.29 1quw h LYS 93 Ca -0.55 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 58.73 1quw h LYS 93 Cb 1.31 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1quw h LYS 93 CO 0.40 0.61 -0.15 0.93 -2.27 0.00 0.00 179.45 178.97 1quw h GLU 94 N 0.95 0.13 -0.11 1.90 4.39 -1.99 0.14 114.58 119.98 1quw h GLU 94 Ca 0.44 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.95 1quw h GLU 94 Cb 0.41 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1quw h GLU 94 CO -0.20 0.29 -0.55 1.96 -1.16 0.00 0.00 179.01 179.35 1quw h GLN 95 N 0.13 0.57 -0.07 2.33 1.08 -1.44 -2.66 115.11 115.05 1quw h GLN 95 Ca 0.03 -0.47 0.04 0.00 -1.45 0.00 0.00 58.65 56.80 1quw h GLN 95 Cb 0.35 0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.83 1quw h GLN 95 CO 0.02 1.09 -0.20 -0.07 -0.95 0.00 0.00 178.83 178.72 1quw h LEU 96 N 0.19 -0.60 -0.45 1.46 -0.00 -0.45 -2.13 115.31 113.33 1quw h LEU 96 Ca -0.04 0.10 -0.12 0.00 -0.00 0.00 0.00 57.88 57.82 1quw h LEU 96 Cb 1.19 0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 42.11 1quw h LEU 96 CO 0.11 -0.26 -0.19 -0.33 -0.00 0.00 0.00 178.44 177.78 1quw h GLU 97 N -0.28 0.93 -0.07 1.13 5.08 -0.79 0.22 114.58 120.80 1quw h GLU 97 Ca 0.08 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1quw h GLU 97 Cb 0.40 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1quw h GLU 97 CO -0.24 1.05 0.03 0.00 -1.00 0.00 0.00 179.01 178.86 1quw h ALA 98 N 0.85 0.08 -0.67 3.43 0.00 -1.47 0.33 119.26 121.81 1quw h ALA 98 Ca 0.11 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1quw h ALA 98 Cb 0.76 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 1quw h ALA 98 CO 0.06 -0.36 0.37 0.37 0.00 0.00 0.00 179.25 179.68 1quw h GLN 99 N -0.01 0.65 0.00 0.00 5.75 -1.23 -3.17 115.11 117.10 1quw h GLN 99 Ca 0.02 -0.04 -0.29 0.00 -0.15 0.00 0.00 58.65 58.19 1quw h GLN 99 Cb 0.11 -0.15 -0.05 0.00 1.07 0.00 0.00 27.48 28.46 1quw h GLN 99 CO -0.00 0.43 -1.72 1.28 -2.65 0.00 0.00 178.83 176.17 1quw n LEU 100 N -4.80 0.90 0.24 -2.39 4.77 0.75 -3.52 117.00 112.96 1quw n LEU 100 Ca 0.09 0.41 0.07 0.00 -0.03 0.00 0.00 56.01 56.55 1quw n LEU 100 Cb 0.18 0.15 0.58 0.00 -2.33 0.00 0.00 43.42 42.00 1quw n LEU 100 CO 0.28 0.40 0.96 0.00 -1.33 0.00 0.00 177.39 177.71 1quw h ALA 101 N 0.98 1.75 -0.42 -1.18 0.00 -0.42 0.19 119.26 120.16 1quw h ALA 101 Ca -0.29 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1quw h ALA 101 Cb 2.02 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.77 1quw h ALA 101 CO 0.08 0.15 0.10 0.22 0.00 0.00 0.00 179.25 179.80 1quw h ASP 102 N 0.00 0.64 0.59 0.00 3.58 -1.59 -3.25 116.42 116.39 1quw h ASP 102 Ca -0.00 -0.23 -0.18 0.00 0.42 0.00 0.00 57.03 57.03 1quw h ASP 102 Cb 0.22 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.06 1quw h ASP 102 CO 0.02 0.71 -1.55 1.33 -2.88 0.00 0.00 179.24 176.87 1quw n VAL 103 N -4.54 1.16 0.12 2.25 0.24 -0.96 -4.33 118.33 112.28 1quw n VAL 103 Ca -0.00 -0.70 -0.02 0.00 -2.04 0.00 0.00 64.34 61.58 1quw n VAL 103 Cb 0.21 -0.69 0.06 0.00 -1.47 0.00 0.00 33.84 31.95 1quw n VAL 103 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1quw h LEU 104 N 0.00 0.00 0.00 1.34 3.38 -0.71 -3.47 115.31 115.85 1quw h LEU 104 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1quw h LEU 104 Cb 1.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.38 1quw h LEU 104 CO 0.04 0.70 0.00 0.00 0.09 0.00 0.00 178.44 179.27