#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 0.13 0.39 0.00 -4.23 -1.26 -4.61 115.64 106.06 1quw s THR 2 Ca 0.00 -1.06 0.08 0.00 -1.18 0.00 0.00 61.69 59.53 1quw s THR 2 Cb 0.00 -0.93 -0.01 0.00 1.34 0.00 0.00 72.50 72.91 1quw s THR 2 CO 0.00 -0.58 0.46 -0.32 -0.54 0.00 0.00 174.62 173.64 1quw s MET 3 N -2.67 2.79 -0.06 3.99 -2.45 -0.20 -4.98 119.30 115.72 1quw s MET 3 Ca -0.04 -1.29 -0.01 0.00 -1.25 0.00 0.00 55.69 53.10 1quw s MET 3 Cb -0.01 -2.63 0.03 0.00 1.25 0.00 0.00 34.83 33.47 1quw s MET 3 CO -0.05 -0.14 -0.00 0.99 1.05 0.00 0.00 175.02 176.87 1quw s THR 4 N -2.35 0.34 0.44 10.11 2.01 -1.26 -1.09 115.64 123.85 1quw s THR 4 Ca 0.49 0.10 0.07 0.00 0.31 0.00 0.00 61.69 62.67 1quw s THR 4 Cb -0.07 -0.48 -0.02 0.00 0.01 0.00 0.00 72.50 71.94 1quw s THR 4 CO 0.30 0.23 0.30 -0.76 -0.69 0.00 0.00 174.62 174.00 1quw s LEU 5 N 1.71 3.13 0.11 4.42 1.02 0.53 -4.86 118.68 124.75 1quw s LEU 5 Ca 0.01 -0.99 -0.14 0.00 0.02 0.00 0.00 54.13 53.02 1quw s LEU 5 Cb -0.13 -1.61 0.02 0.00 0.02 0.00 0.00 46.19 44.49 1quw s LEU 5 CO -0.04 -0.70 0.34 0.28 0.02 0.00 0.00 176.35 176.25 1quw s THR 6 N -2.59 0.09 0.29 5.49 -1.32 -1.26 -4.42 115.64 111.92 1quw s THR 6 Ca 0.42 -0.75 0.09 0.00 -1.21 0.00 0.00 61.69 60.24 1quw s THR 6 Cb 0.00 -1.22 0.34 0.00 -1.51 0.00 0.00 72.50 70.11 1quw s THR 6 CO 0.24 -0.41 1.36 -0.90 -2.21 0.00 0.00 174.62 172.70 1quw n ASP 7 N -0.18 0.08 -0.08 8.08 5.75 -1.26 0.11 116.55 129.05 1quw n ASP 7 Ca -0.16 1.46 -0.15 0.00 -0.01 0.00 0.00 54.79 55.93 1quw n ASP 7 Cb 0.63 -0.61 -0.11 0.00 -1.03 0.00 0.00 41.12 40.01 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 1.73 0.09 -0.09 2.12 0.00 -2.01 -3.25 119.26 117.86 1quw h ALA 8 Ca 0.62 -0.70 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1quw h ALA 8 Cb 1.47 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 1quw h ALA 8 CO -0.75 0.27 -0.24 -0.97 0.00 0.00 0.00 179.25 177.56 1quw h ASN 9 N -1.00 0.15 -0.64 0.00 -1.24 -1.76 -2.65 115.58 108.44 1quw h ASN 9 Ca -0.12 -0.04 0.13 0.00 0.71 0.00 0.00 56.30 56.98 1quw h ASN 9 Cb 0.99 -0.04 -0.11 0.00 0.73 0.00 0.00 38.32 39.89 1quw h ASN 9 CO -0.07 0.40 0.01 0.15 -1.29 0.00 0.00 177.43 176.63 1quw h PHE 10 N 0.15 -0.03 -0.81 0.67 3.04 0.68 0.45 116.94 121.09 1quw h PHE 10 Ca 0.02 0.05 -0.04 0.00 3.98 0.00 0.00 57.97 61.98 1quw h PHE 10 Cb 0.51 0.11 -0.04 0.00 2.56 0.00 0.00 35.95 39.09 1quw h PHE 10 CO 0.01 -0.17 0.33 1.96 -2.02 0.00 0.00 178.31 178.42 1quw h GLN 11 N 0.12 1.20 -0.00 1.11 4.20 -1.50 -2.16 115.11 118.09 1quw h GLN 11 Ca 0.33 -0.21 -0.16 0.00 0.06 0.00 0.00 58.65 58.67 1quw h GLN 11 Cb 0.55 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1quw h GLN 11 CO -0.54 0.97 -0.76 0.37 -0.67 0.00 0.00 178.83 178.20 1quw h GLN 12 N 1.17 0.02 -0.23 1.46 4.15 -1.41 -3.24 115.11 117.02 1quw h GLN 12 Ca 0.27 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.65 1quw h GLN 12 Cb 0.21 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1quw h GLN 12 CO -0.02 0.77 0.06 0.00 -1.93 0.00 0.00 178.83 177.70 1quw h ALA 13 N 1.23 0.31 0.00 3.38 0.00 0.48 -3.19 119.26 121.47 1quw h ALA 13 Ca -0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1quw h ALA 13 Cb 1.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1quw h ALA 13 CO 0.10 -0.04 -0.48 -0.84 0.00 0.00 0.00 179.25 177.99 1quw h ILE 14 N 0.20 0.97 0.00 0.00 3.07 -1.53 -3.16 117.51 117.07 1quw h ILE 14 Ca 0.07 -1.95 0.00 0.00 1.55 0.00 0.00 64.86 64.53 1quw h ILE 14 Cb 0.28 2.19 0.00 0.00 -0.27 0.00 0.00 36.82 39.01 1quw h ILE 14 CO 0.00 0.47 0.00 1.56 -1.05 0.00 0.00 178.15 179.13 1quw h GLN 15 N 0.00 0.00 0.00 0.16 1.08 -1.58 -0.22 115.11 114.55 1quw h GLN 15 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1quw h GLN 15 Cb 1.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 1quw h GLN 15 CO 0.06 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.35 1quw n GLY 16 N 0.09 -2.17 1.29 3.46 0.00 -1.19 -4.59 105.19 102.08 1quw n GLY 16 Ca 0.02 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.37 -0.81 -4.77 1.61 2.03 -1.26 -4.87 116.55 108.10 1quw n ASP 17 Ca 0.00 0.23 -0.38 0.00 0.52 0.00 0.00 54.79 55.16 1quw n ASP 17 Cb 0.00 1.03 -0.03 0.00 -0.72 0.00 0.00 41.12 41.40 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 -1.29 4.17 -0.10 -0.67 2.47 -1.26 -4.01 119.74 119.06 1quw s LYS 18 Ca 0.00 1.77 -0.41 0.00 -1.56 0.00 0.00 55.97 55.78 1quw s LYS 18 Cb 0.00 -2.73 -0.19 0.00 -1.46 0.00 0.00 37.83 33.45 1quw s LYS 18 CO 0.00 -0.20 1.28 -2.30 0.16 0.00 0.00 175.35 174.29 1quw n PRO 19 N 0.22 0.34 -4.05 4.03 -0.02 -1.26 -4.77 135.00 129.50 1quw n PRO 19 Ca 0.04 0.12 -0.34 0.00 -2.02 0.00 0.00 63.50 61.30 1quw n PRO 19 Cb 0.47 -1.67 -0.15 0.00 -0.02 0.00 0.00 33.50 32.12 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 0.95 2.44 -0.09 -1.45 1.01 0.01 -3.67 120.40 119.59 1quw s VAL 20 Ca 0.93 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 61.79 1quw s VAL 20 Cb -1.23 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1quw s VAL 20 CO 0.60 0.42 0.52 -0.22 0.00 0.00 0.00 175.10 176.42 1quw s LEU 21 N 1.31 4.32 -0.15 3.92 0.20 0.47 -1.00 118.68 127.75 1quw s LEU 21 Ca 0.03 0.93 -0.03 0.00 0.69 0.00 0.00 54.13 55.75 1quw s LEU 21 Cb -0.14 -2.78 -0.03 0.00 -0.43 0.00 0.00 46.19 42.81 1quw s LEU 21 CO -0.09 0.02 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.26 1quw s VAL 22 N 0.42 3.92 -0.42 1.68 1.01 -0.17 -0.38 120.40 126.46 1quw s VAL 22 Ca 0.28 -0.35 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 1quw s VAL 22 Cb -0.16 -2.71 0.05 0.00 0.00 0.00 0.00 36.38 33.56 1quw s VAL 22 CO 0.13 0.50 0.30 -1.81 0.00 0.00 0.00 175.10 174.22 1quw s ASP 23 N 0.25 5.93 -0.10 3.32 1.11 0.62 -1.46 116.67 126.34 1quw s ASP 23 Ca -0.03 -1.17 -0.28 0.00 0.18 0.00 0.00 52.55 51.25 1quw s ASP 23 Cb -0.14 -2.10 -0.02 0.00 1.07 0.00 0.00 42.92 41.73 1quw s ASP 23 CO 0.03 -0.51 0.91 -0.36 1.18 0.00 0.00 175.17 176.42 1quw s PHE 24 N 1.59 3.52 0.22 4.23 0.40 0.13 -3.11 117.98 124.97 1quw s PHE 24 Ca 0.03 1.48 -0.05 0.00 -0.60 0.00 0.00 56.93 57.79 1quw s PHE 24 Cb -0.21 -3.08 -0.03 0.00 0.51 0.00 0.00 43.02 40.21 1quw s PHE 24 CO 0.07 -0.15 0.26 1.67 0.70 0.00 0.00 175.22 177.77 1quw s TRP 25 N 1.69 0.91 0.09 0.36 1.48 -1.05 -1.08 118.94 121.33 1quw s TRP 25 Ca 0.45 -1.16 0.04 0.00 -1.06 0.00 0.00 56.10 54.36 1quw s TRP 25 Cb -0.18 -0.30 -0.03 0.00 -1.16 0.00 0.00 33.47 31.80 1quw s TRP 25 CO 0.18 -0.78 -0.11 0.00 -4.06 0.00 0.00 176.95 172.18 1quw s ALA 26 N -4.05 1.10 0.29 2.67 0.00 -1.26 -1.54 121.76 118.96 1quw s ALA 26 Ca 0.33 -1.10 0.12 0.00 0.00 0.00 0.00 51.96 51.32 1quw s ALA 26 Cb 0.04 -0.01 0.51 0.00 0.00 0.00 0.00 23.12 23.66 1quw s ALA 26 CO 0.12 0.03 1.69 0.00 0.00 0.00 0.00 175.76 177.60 1quw h ALA 27 N 3.86 1.10 0.00 0.00 0.00 -1.99 -2.35 119.26 119.87 1quw h ALA 27 Ca -0.38 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1quw h ALA 27 Cb 1.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1quw h ALA 27 CO 0.48 0.64 -0.09 -2.67 0.00 0.00 0.00 179.25 177.61 1quw n TRP 28 N -3.85 0.39 -2.22 0.00 4.27 -1.26 -4.90 117.44 109.87 1quw n TRP 28 Ca -0.01 0.11 -0.40 0.00 -3.89 0.00 0.00 57.50 53.31 1quw n TRP 28 Cb 0.54 -0.65 -0.03 0.00 -1.36 0.00 0.00 31.31 29.81 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 3.48 0.00 1.13 0.00 0.00 -1.90 -3.39 103.07 102.38 1quw h GLY 30 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1quw h GLY 30 CO 0.66 0.00 0.00 -1.55 0.00 0.00 0.00 176.54 175.65 1quw n PRO 31 N -4.64 0.65 0.16 4.80 -0.04 -1.26 -2.35 135.00 132.32 1quw n PRO 31 Ca -0.08 0.02 0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1quw n PRO 31 Cb 0.24 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.18 0.00 -0.00 -1.70 -2.42 114.38 110.08 1quw h ARG 33 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.46 1quw h ARG 33 Cb 1.05 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.01 1quw h ARG 33 CO 0.06 0.35 0.07 0.52 0.00 0.00 0.00 179.97 180.97 1quw h MET 34 N 0.00 0.27 -0.05 0.04 2.86 -1.67 -2.71 114.93 113.67 1quw h MET 34 Ca -0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1quw h MET 34 Cb 0.76 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1quw h MET 34 CO 0.05 0.34 0.00 0.00 1.06 0.00 0.00 176.91 178.36 1quw n MET 35 N -4.85 1.47 -0.08 1.72 0.00 -1.21 -4.19 117.12 109.99 1quw n MET 35 Ca -0.04 -0.69 -0.07 0.00 0.00 0.00 0.00 57.70 56.90 1quw n MET 35 Cb 0.12 -1.44 -0.01 0.00 0.00 0.00 0.00 33.22 31.89 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 4.12 -0.01 0.00 3.17 0.00 -1.08 -1.41 119.26 124.05 1quw h ALA 36 Ca 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1quw h ALA 36 Cb 0.34 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1quw h ALA 36 CO 0.00 -0.61 -0.34 -1.00 0.00 0.00 0.00 179.25 177.30 1quw h PRO 37 N -0.18 0.00 0.00 0.00 0.13 -1.76 -3.05 132.00 127.15 1quw h PRO 37 Ca 0.16 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.20 1quw h PRO 37 Cb 0.42 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 1quw h PRO 37 CO -0.41 0.34 -0.41 -0.24 -0.23 0.00 0.00 178.00 177.05 1quw h VAL 38 N 0.00 0.85 -0.01 1.56 3.04 -1.71 -1.95 116.25 118.03 1quw h VAL 38 Ca -0.00 -1.73 -0.15 0.00 -1.01 0.00 0.00 66.70 63.80 1quw h VAL 38 Cb 1.18 2.09 -0.02 0.00 -2.01 0.00 0.00 31.29 32.53 1quw h VAL 38 CO 0.04 0.40 -0.70 -0.07 -1.01 0.00 0.00 177.57 176.23 1quw h LEU 39 N 0.00 0.07 -0.76 3.16 3.38 -1.22 -0.16 115.31 119.78 1quw h LEU 39 Ca -0.00 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1quw h LEU 39 Cb 1.05 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 1quw h LEU 39 CO 0.05 0.75 0.32 -0.33 0.09 0.00 0.00 178.44 179.32 1quw h GLU 40 N 0.04 1.13 -0.06 1.13 4.39 -1.36 -1.22 114.58 118.62 1quw h GLU 40 Ca -0.01 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.43 1quw h GLU 40 Cb 1.24 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1quw h GLU 40 CO 0.10 0.90 -0.28 0.93 -1.16 0.00 0.00 179.01 179.50 1quw h GLU 41 N 1.09 0.11 -0.42 2.33 4.39 -1.16 -2.87 114.58 118.05 1quw h GLU 41 Ca 0.26 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.77 1quw h GLU 41 Cb 0.18 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1quw h GLU 41 CO -0.02 0.38 -0.32 0.35 -1.16 0.00 0.00 179.01 178.24 1quw h PHE 42 N 0.10 1.13 0.00 4.33 3.57 -0.25 -1.35 116.94 124.46 1quw h PHE 42 Ca 0.01 -0.31 -0.04 0.00 3.53 0.00 0.00 57.97 61.16 1quw h PHE 42 Cb 0.55 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1quw h PHE 42 CO 0.00 1.14 -0.20 0.00 -2.23 0.00 0.00 178.31 177.03 1quw h ALA 43 N 0.82 1.28 0.00 2.41 0.00 -1.19 -2.11 119.26 120.46 1quw h ALA 43 Ca 0.08 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1quw h ALA 43 Cb 0.91 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1quw h ALA 43 CO 0.08 0.24 -0.62 1.49 0.00 0.00 0.00 179.25 180.45 1quw h GLU 44 N 0.00 0.00 0.16 0.00 4.81 -1.19 -0.56 114.58 117.79 1quw h GLU 44 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1quw h GLU 44 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1quw h GLU 44 CO 0.03 0.62 -0.08 0.00 -0.73 0.00 0.00 179.01 178.85 1quw h ALA 45 N 1.38 -0.21 0.01 2.92 0.00 -0.59 -3.38 119.26 119.38 1quw h ALA 45 Ca -0.01 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.46 1quw h ALA 45 Cb 1.31 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1quw h ALA 45 CO 0.08 -0.34 -1.17 0.45 0.00 0.00 0.00 179.25 178.27 1quw h HIS 46 N -0.77 0.04 0.00 0.00 3.86 -1.60 -3.47 115.15 113.21 1quw h HIS 46 Ca -0.02 -0.03 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 0.08 1.46 0.00 0.00 0.86 0.00 0.00 177.93 180.32 1quw n ALA 47 N -3.29 0.00 -0.25 2.45 0.00 -0.22 -3.72 120.51 115.48 1quw n ALA 47 Ca -0.29 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.07 1quw n ALA 47 Cb 0.69 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.17 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 3.29 4.85 0.00 0.00 5.75 -1.26 -3.79 116.55 125.40 1quw n ASP 48 Ca 0.00 -2.61 0.00 0.00 -0.01 0.00 0.00 54.79 52.17 1quw n ASP 48 Cb 0.00 -0.89 0.00 0.00 -1.03 0.00 0.00 41.12 39.20 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 0.59 0.00 -5.01 0.11 3.00 -1.24 -5.11 118.16 110.49 1quw n LYS 49 Ca 0.15 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.18 1quw n LYS 49 Cb 0.64 -0.30 -0.15 0.00 0.00 0.00 0.00 35.03 35.22 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 -1.00 1.81 -0.32 3.15 0.11 -1.25 -4.63 120.40 118.27 1quw s VAL 50 Ca 0.00 -1.06 -0.10 0.00 -2.93 0.00 0.00 61.98 57.89 1quw s VAL 50 Cb 0.00 -1.52 -0.00 0.00 -1.53 0.00 0.00 36.38 33.33 1quw s VAL 50 CO 0.00 0.44 0.16 -0.89 -3.33 0.00 0.00 175.10 171.48 1quw s THR 51 N -0.61 4.61 -0.70 5.04 2.01 -1.24 -4.61 115.64 120.15 1quw s THR 51 Ca 0.09 -0.49 -0.18 0.00 0.31 0.00 0.00 61.69 61.42 1quw s THR 51 Cb -0.09 -3.39 0.14 0.00 0.01 0.00 0.00 72.50 69.17 1quw s THR 51 CO -0.00 0.01 0.78 -0.69 -0.69 0.00 0.00 174.62 174.03 1quw s VAL 52 N 1.61 5.02 0.44 3.82 1.01 -1.26 -0.40 120.40 130.64 1quw s VAL 52 Ca 0.04 -1.48 0.07 0.00 0.00 0.00 0.00 61.98 60.62 1quw s VAL 52 Cb -0.17 -4.53 -0.00 0.00 0.00 0.00 0.00 36.38 31.68 1quw s VAL 52 CO 0.06 -1.15 0.41 0.00 0.00 0.00 0.00 175.10 174.42 1quw s ALA 53 N 2.02 4.17 -0.16 5.51 0.00 0.48 -1.04 121.76 132.74 1quw s ALA 53 Ca 0.16 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.31 1quw s ALA 53 Cb -0.18 -1.02 0.03 0.00 0.00 0.00 0.00 23.12 21.96 1quw s ALA 53 CO -0.00 -0.30 -0.09 0.15 0.00 0.00 0.00 175.76 175.51 1quw s LYS 54 N -4.19 1.84 -0.18 0.00 -0.14 -0.25 -0.28 119.74 116.54 1quw s LYS 54 Ca 0.47 -0.55 -0.01 0.00 -1.36 0.00 0.00 55.97 54.52 1quw s LYS 54 Cb -0.03 -2.04 -0.00 0.00 -1.68 0.00 0.00 37.83 34.07 1quw s LYS 54 CO 0.28 -0.34 -0.11 -1.17 -0.76 0.00 0.00 175.35 173.25 1quw s LEU 55 N 1.55 2.64 -0.39 3.17 1.98 -1.18 -0.35 118.68 126.11 1quw s LEU 55 Ca 0.02 -0.44 -0.23 0.00 -2.89 0.00 0.00 54.13 50.59 1quw s LEU 55 Cb -0.14 -1.63 0.01 0.00 0.66 0.00 0.00 46.19 45.09 1quw s LEU 55 CO -0.09 0.04 0.80 0.21 -1.89 0.00 0.00 176.35 175.43 1quw s ASN 56 N 1.07 6.53 0.35 3.68 3.84 -1.26 -2.54 114.94 126.61 1quw s ASN 56 Ca -0.00 0.28 0.27 0.00 0.21 0.00 0.00 52.86 53.61 1quw s ASN 56 Cb -0.15 -2.40 0.91 0.00 -0.55 0.00 0.00 41.25 39.06 1quw s ASN 56 CO -0.03 -0.79 1.77 -0.37 -2.79 0.00 0.00 177.10 174.90 1quw h VAL 57 N 5.82 0.00 -0.15 -5.21 -1.51 -1.51 0.60 116.25 114.29 1quw h VAL 57 Ca -0.25 -0.51 -0.16 0.00 -1.23 0.00 0.00 66.70 64.55 1quw h VAL 57 Cb 1.09 1.43 0.01 0.00 -2.13 0.00 0.00 31.29 31.68 1quw h VAL 57 CO 0.93 0.00 -0.54 -0.78 -1.23 0.00 0.00 177.57 175.95 1quw h ASP 58 N 0.00 0.74 -0.02 4.19 3.58 -1.91 -3.33 116.42 119.67 1quw h ASP 58 Ca 0.00 -0.61 -0.11 0.00 0.42 0.00 0.00 57.03 56.73 1quw h ASP 58 Cb 0.62 -0.22 0.01 0.00 1.72 0.00 0.00 39.33 41.46 1quw h ASP 58 CO 0.00 1.22 -0.43 -0.08 -2.88 0.00 0.00 179.24 177.07 1quw h GLU 59 N 0.30 0.33 -4.70 0.28 4.81 -1.88 -3.43 114.58 110.28 1quw h GLU 59 Ca -0.02 -0.32 -0.69 0.00 -0.13 0.00 0.00 59.36 58.20 1quw h GLU 59 Cb 1.17 0.08 -0.23 0.00 0.63 0.00 0.00 28.75 30.40 1quw h GLU 59 CO 0.11 1.00 -0.53 -0.80 -0.73 0.00 0.00 179.01 178.07 1quw s ASN 60 N -6.53 5.69 0.04 1.04 0.01 0.18 -4.95 114.94 110.42 1quw s ASN 60 Ca -0.14 -0.67 0.23 0.00 -0.71 0.00 0.00 52.86 51.56 1quw s ASN 60 Cb 0.03 -2.03 -0.04 0.00 0.41 0.00 0.00 41.25 39.61 1quw s ASN 60 CO 0.79 -0.27 0.93 -0.81 -1.51 0.00 0.00 177.10 176.23 1quw n PRO 61 N 5.01 0.35 0.01 -0.60 -0.04 -1.26 -4.23 135.00 134.24 1quw n PRO 61 Ca -0.13 -0.03 -0.16 0.00 -0.04 0.00 0.00 63.50 63.14 1quw n PRO 61 Cb 0.48 -1.59 -0.14 0.00 -0.04 0.00 0.00 33.50 32.21 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 0.00 0.18 -0.68 0.54 -0.00 -1.94 -3.26 114.58 109.42 1quw h GLU 62 Ca 0.00 -0.31 -0.07 0.00 -0.00 0.00 0.00 59.36 58.99 1quw h GLU 62 Cb 0.77 0.11 -0.03 0.00 -0.00 0.00 0.00 28.75 29.61 1quw h GLU 62 CO 0.00 0.97 0.17 1.15 -0.00 0.00 0.00 179.01 181.29 1quw h THR 63 N 0.05 1.26 0.00 -1.06 2.02 -1.95 -0.90 112.91 112.33 1quw h THR 63 Ca -0.34 -0.95 -0.06 0.00 0.77 0.00 0.00 66.41 65.84 1quw h THR 63 Cb 2.03 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.98 1quw h THR 63 CO 0.10 0.36 -0.28 0.00 0.37 0.00 0.00 175.52 176.07 1quw h THR 64 N 1.03 0.82 0.07 3.16 1.03 -1.74 -2.99 112.91 114.30 1quw h THR 64 Ca 0.22 -1.15 -0.25 0.00 -0.01 0.00 0.00 66.41 65.22 1quw h THR 64 Cb 0.36 1.70 -0.01 0.00 -1.07 0.00 0.00 68.15 69.12 1quw h THR 64 CO 0.00 0.28 -1.19 -1.28 -0.01 0.00 0.00 175.52 173.32 1quw h SER 65 N 0.00 0.24 -0.18 0.00 0.87 -1.44 -0.65 113.55 112.39 1quw h SER 65 Ca -0.00 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.29 1quw h SER 65 Cb 0.68 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 1quw h SER 65 CO 0.04 1.21 0.08 1.56 -0.53 0.00 0.00 176.83 179.19 1quw h GLN 66 N 0.04 0.27 0.00 2.24 1.08 -1.04 -3.28 115.11 114.41 1quw h GLN 66 Ca -0.10 -0.04 -0.28 0.00 -1.45 0.00 0.00 58.65 56.78 1quw h GLN 66 Cb 1.90 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 29.23 1quw h GLN 66 CO 0.17 0.31 -1.79 1.19 -0.95 0.00 0.00 178.83 177.75 1quw n PHE 67 N -4.87 0.81 -0.97 2.96 3.72 -1.17 -5.04 117.46 112.90 1quw n PHE 67 Ca -0.04 0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.65 1quw n PHE 67 Cb 0.10 -1.13 0.00 0.00 -0.94 0.00 0.00 39.48 37.51 1quw n PHE 67 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1quw n GLY 68 N 1.56 -0.26 3.44 1.37 0.00 -0.28 -4.98 105.19 106.04 1quw n GLY 68 Ca -0.19 -0.31 -0.44 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.62 4.58 0.09 -0.61 -1.09 -1.01 -4.88 121.20 117.66 1quw s ILE 69 Ca 0.00 -0.49 -0.01 0.00 -2.23 0.00 0.00 60.65 57.93 1quw s ILE 69 Cb 0.00 -4.53 -0.26 0.00 -1.58 0.00 0.00 42.46 36.09 1quw s ILE 69 CO 0.00 -1.19 1.19 0.24 -1.23 0.00 0.00 174.94 173.95 1quw h MET 70 N 9.31 0.18 -1.82 2.79 2.86 -1.93 -3.45 114.93 122.87 1quw h MET 70 Ca -0.28 -0.32 -0.09 0.00 -2.06 0.00 0.00 59.70 56.95 1quw h MET 70 Cb 1.08 0.12 -0.28 0.00 0.06 0.00 0.00 31.60 32.58 1quw h MET 70 CO 1.10 1.15 -0.42 0.45 1.06 0.00 0.00 176.91 180.25 1quw s SER 71 N -7.01 -0.15 0.45 1.22 0.15 -1.26 -5.14 113.70 101.97 1quw s SER 71 Ca -0.02 0.48 -0.20 0.00 0.70 0.00 0.00 55.95 56.90 1quw s SER 71 Cb 0.08 1.36 -0.10 0.00 -1.71 0.00 0.00 66.02 65.65 1quw s SER 71 CO 0.86 -0.28 0.97 0.27 1.20 0.00 0.00 173.24 176.27 1quw s ILE 72 N 2.62 4.28 0.19 6.45 -5.25 -1.26 -3.32 121.20 124.92 1quw s ILE 72 Ca 0.12 1.37 -0.28 0.00 -0.99 0.00 0.00 60.65 60.87 1quw s ILE 72 Cb -0.15 -3.58 -0.08 0.00 2.95 0.00 0.00 42.46 41.60 1quw s ILE 72 CO -0.16 -0.35 0.89 -2.16 -1.79 0.00 0.00 174.94 171.36 1quw s PRO 73 N -3.32 4.74 -0.16 0.37 0.04 -1.26 -4.59 135.00 130.82 1quw s PRO 73 Ca 0.63 1.37 0.01 0.00 0.04 0.00 0.00 61.00 63.04 1quw s PRO 73 Cb -0.11 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1quw s PRO 73 CO 0.17 0.49 -0.17 0.99 0.04 0.00 0.00 177.00 178.52 1quw s THR 74 N -0.98 2.46 -0.25 1.26 2.01 -0.24 -0.66 115.64 119.22 1quw s THR 74 Ca 0.40 -0.83 -0.11 0.00 0.31 0.00 0.00 61.69 61.45 1quw s THR 74 Cb -0.25 -2.03 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 1quw s THR 74 CO 0.30 0.52 0.20 -0.76 -0.69 0.00 0.00 174.62 174.19 1quw s LEU 75 N 0.96 4.08 -0.09 4.42 2.01 -0.80 0.21 118.68 129.47 1quw s LEU 75 Ca -0.03 0.11 0.01 0.00 0.01 0.00 0.00 54.13 54.23 1quw s LEU 75 Cb -0.15 -2.16 0.02 0.00 0.01 0.00 0.00 46.19 43.91 1quw s LEU 75 CO -0.03 -0.01 -0.11 -0.63 1.01 0.00 0.00 176.35 176.59 1quw s ILE 76 N 1.41 1.13 -0.18 -0.59 1.01 -0.53 -1.52 121.20 121.92 1quw s ILE 76 Ca 0.09 -0.42 -0.15 0.00 0.00 0.00 0.00 60.65 60.17 1quw s ILE 76 Cb -0.15 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 1quw s ILE 76 CO 0.08 0.37 0.34 -0.22 0.00 0.00 0.00 174.94 175.50 1quw s LEU 77 N 1.14 4.19 0.09 2.97 1.98 -1.18 -1.00 118.68 126.86 1quw s LEU 77 Ca -0.05 0.49 0.05 0.00 -2.89 0.00 0.00 54.13 51.73 1quw s LEU 77 Cb -0.14 -2.43 -0.04 0.00 0.66 0.00 0.00 46.19 44.24 1quw s LEU 77 CO -0.02 0.01 -0.02 -0.36 -1.89 0.00 0.00 176.35 174.07 1quw s PHE 78 N 0.90 2.94 -0.21 5.38 0.40 -0.17 -0.50 117.98 126.72 1quw s PHE 78 Ca 0.17 -0.05 -0.04 0.00 -0.60 0.00 0.00 56.93 56.41 1quw s PHE 78 Cb -0.14 -1.52 0.08 0.00 0.51 0.00 0.00 43.02 41.95 1quw s PHE 78 CO 0.06 0.47 0.15 0.21 0.70 0.00 0.00 175.22 176.80 1quw s LYS 79 N -2.27 0.14 -0.83 0.44 2.36 -0.88 -0.81 119.74 117.89 1quw s LYS 79 Ca 0.25 -0.12 -0.01 0.00 -2.55 0.00 0.00 55.97 53.54 1quw s LYS 79 Cb -0.12 -1.44 0.00 0.00 -1.05 0.00 0.00 37.83 35.22 1quw s LYS 79 CO 0.17 -0.77 0.08 0.41 1.55 0.00 0.00 175.35 176.79 1quw n GLY 80 N 5.28 -0.00 2.29 5.54 0.00 -1.19 -3.48 105.19 113.63 1quw n GLY 80 Ca -0.06 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.04 -0.02 3.05 -0.02 0.00 -0.10 -4.67 105.19 102.39 1quw n GLY 81 Ca -0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.47 0.49 -0.01 1.61 3.00 -1.23 -4.97 118.95 113.38 1quw s ARG 82 Ca 0.06 0.62 -0.30 0.00 -1.00 0.00 0.00 55.73 55.11 1quw s ARG 82 Cb -0.01 0.08 -0.07 0.00 0.00 0.00 0.00 34.95 34.95 1quw s ARG 82 CO 0.38 -0.81 1.81 -2.14 0.00 0.00 0.00 175.30 174.54 1quw s PRO 83 N 2.72 4.16 -0.09 5.12 0.02 -1.26 -2.08 135.00 143.58 1quw s PRO 83 Ca 0.14 2.40 -0.16 0.00 0.02 0.00 0.00 61.00 63.40 1quw s PRO 83 Cb -0.13 -4.06 -0.28 0.00 0.02 0.00 0.00 34.50 30.05 1quw s PRO 83 CO -0.23 -0.90 0.60 -0.39 -0.33 0.00 0.00 177.00 175.75 1quw h VAL 84 N 5.58 1.07 -3.97 3.83 -1.51 -1.15 -3.49 116.25 116.62 1quw h VAL 84 Ca -0.44 -2.42 -0.12 0.00 -1.23 0.00 0.00 66.70 62.49 1quw h VAL 84 Cb 1.21 2.76 -0.16 0.00 -2.13 0.00 0.00 31.29 32.97 1quw h VAL 84 CO 0.95 0.71 -0.57 -0.54 -1.23 0.00 0.00 177.57 176.89 1quw s LYS 85 N -2.48 0.61 -0.26 5.19 1.02 -1.25 -5.03 119.74 117.54 1quw s LYS 85 Ca -0.19 -0.93 -0.03 0.00 0.02 0.00 0.00 55.97 54.83 1quw s LYS 85 Cb 0.04 0.23 0.09 0.00 -0.52 0.00 0.00 37.83 37.67 1quw s LYS 85 CO 0.78 -0.15 0.11 -1.14 -0.92 0.00 0.00 175.35 174.03 1quw s GLN 86 N -3.16 0.33 0.41 1.68 0.74 -1.26 -3.13 119.66 115.28 1quw s GLN 86 Ca -0.00 -0.56 0.02 0.00 0.05 0.00 0.00 55.36 54.87 1quw s GLN 86 Cb 0.02 -1.55 -0.01 0.00 1.10 0.00 0.00 33.01 32.57 1quw s GLN 86 CO -0.07 -0.91 0.61 -0.51 -0.55 0.00 0.00 175.29 173.86 1quw s LEU 87 N 1.98 3.77 -0.11 3.68 1.02 -0.57 -4.97 118.68 123.47 1quw s LEU 87 Ca 0.07 0.22 -0.09 0.00 0.02 0.00 0.00 54.13 54.34 1quw s LEU 87 Cb -0.16 -3.10 0.03 0.00 0.02 0.00 0.00 46.19 42.98 1quw s LEU 87 CO -0.27 -0.59 0.28 0.27 0.02 0.00 0.00 176.35 176.07 1quw s ILE 88 N -2.44 -0.01 0.00 -0.59 -0.00 -1.26 -1.90 121.20 114.99 1quw s ILE 88 Ca 0.46 0.03 0.00 0.00 -0.00 0.00 0.00 60.65 61.14 1quw s ILE 88 Cb -0.10 -0.41 0.00 0.00 -0.00 0.00 0.00 42.46 41.96 1quw s ILE 88 CO 0.36 0.01 0.00 0.61 -0.00 0.00 0.00 174.94 175.92 1quw n GLY 89 N 3.19 0.54 3.72 6.27 0.00 0.16 -4.92 105.19 114.14 1quw n GLY 89 Ca -0.15 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.34 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 -1.12 3.41 -0.08 1.61 6.14 -1.26 -4.49 117.35 121.56 1quw s TYR 90 Ca 0.00 1.27 -0.01 0.00 0.64 0.00 0.00 57.07 58.98 1quw s TYR 90 Cb 0.00 -3.45 0.03 0.00 0.42 0.00 0.00 41.96 38.95 1quw s TYR 90 CO 0.00 -1.41 -0.03 1.14 0.64 0.00 0.00 175.55 175.89 1quw s GLN 91 N 0.90 0.98 1.11 4.97 -2.07 -1.26 -5.13 119.66 119.17 1quw s GLN 91 Ca 0.59 -0.05 -0.16 0.00 -1.82 0.00 0.00 55.36 53.91 1quw s GLN 91 Cb -0.31 -1.19 0.15 0.00 -1.09 0.00 0.00 33.01 30.58 1quw s GLN 91 CO 0.30 -0.26 0.35 -2.30 -1.32 0.00 0.00 175.29 172.06 1quw n PRO 92 N 4.92 -1.69 0.20 9.60 -0.02 -1.26 -4.59 135.00 142.17 1quw n PRO 92 Ca -0.11 -0.47 0.07 0.00 -2.02 0.00 0.00 63.50 60.97 1quw n PRO 92 Cb 0.50 -1.86 0.57 0.00 -0.02 0.00 0.00 33.50 32.70 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 -2.19 0.11 -0.34 -0.52 3.64 -1.98 0.33 116.57 115.62 1quw h LYS 93 Ca -0.55 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 58.70 1quw h LYS 93 Cb 1.34 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 1quw h LYS 93 CO 0.41 0.10 -0.26 0.93 -2.27 0.00 0.00 179.45 178.36 1quw h GLU 94 N 0.11 0.77 -0.61 1.90 4.39 -1.99 0.30 114.58 119.45 1quw h GLU 94 Ca 0.03 -0.38 -0.03 0.00 0.34 0.00 0.00 59.36 59.31 1quw h GLU 94 Cb 0.04 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 1quw h GLU 94 CO -0.00 1.01 0.25 1.96 -1.16 0.00 0.00 179.01 181.06 1quw h GLN 95 N 0.55 0.92 0.10 2.33 1.08 -1.74 -2.95 115.11 115.40 1quw h GLN 95 Ca 0.06 -0.16 -0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1quw h GLN 95 Cb 0.83 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 1quw h GLN 95 CO 0.07 0.78 -0.05 -0.07 -0.95 0.00 0.00 178.83 178.61 1quw h LEU 96 N 0.86 -0.11 -0.29 1.46 3.38 -0.77 -2.67 115.31 117.16 1quw h LEU 96 Ca 0.21 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1quw h LEU 96 Cb 0.20 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1quw h LEU 96 CO -0.02 0.10 0.08 -0.33 0.09 0.00 0.00 178.44 178.36 1quw h GLU 97 N -0.33 0.46 -0.44 1.13 5.08 -0.38 0.18 114.58 120.28 1quw h GLU 97 Ca -0.01 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1quw h GLU 97 Cb 0.27 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1quw h GLU 97 CO 0.02 0.53 0.24 0.00 -1.00 0.00 0.00 179.01 178.81 1quw h ALA 98 N 0.91 0.56 0.36 3.43 0.00 -1.62 -1.64 119.26 121.26 1quw h ALA 98 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1quw h ALA 98 Cb 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1quw h ALA 98 CO -0.00 -0.09 -0.17 0.37 0.00 0.00 0.00 179.25 179.35 1quw h GLN 99 N 0.49 -0.47 0.00 0.00 5.75 -1.09 -3.23 115.11 116.56 1quw h GLN 99 Ca 0.18 0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.63 1quw h GLN 99 Cb 0.05 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 1quw h GLN 99 CO -0.10 -0.20 -0.40 -0.07 -2.65 0.00 0.00 178.83 175.41 1quw h LEU 100 N -0.70 0.00 -1.40 -2.39 -0.00 -0.66 -2.70 115.31 107.46 1quw h LEU 100 Ca -0.05 0.00 0.12 0.00 -0.00 0.00 0.00 57.88 57.95 1quw h LEU 100 Cb 0.49 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.09 1quw h LEU 100 CO 0.08 0.40 0.52 0.00 -0.00 0.00 0.00 178.44 179.44 1quw h ALA 101 N 1.60 1.86 -0.55 1.53 0.00 -1.31 -0.15 119.26 122.25 1quw h ALA 101 Ca -0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1quw h ALA 101 Cb 0.89 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1quw h ALA 101 CO 0.05 -0.05 0.12 0.22 0.00 0.00 0.00 179.25 179.59 1quw h ASP 102 N 0.64 0.85 1.17 0.00 3.58 -1.53 -3.17 116.42 117.96 1quw h ASP 102 Ca 0.38 -0.24 -0.16 0.00 0.42 0.00 0.00 57.03 57.42 1quw h ASP 102 Cb 0.60 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 1quw h ASP 102 CO -0.15 0.87 -0.85 -0.37 -2.88 0.00 0.00 179.24 175.86 1quw h VAL 103 N 0.78 1.16 0.00 2.25 -1.51 -1.46 -3.32 116.25 114.15 1quw h VAL 103 Ca 0.17 -2.69 0.00 0.00 -1.23 0.00 0.00 66.70 62.95 1quw h VAL 103 Cb 0.37 2.55 0.00 0.00 -2.13 0.00 0.00 31.29 32.08 1quw h VAL 103 CO 0.01 0.66 0.00 -0.07 -1.23 0.00 0.00 177.57 176.94 1quw h LEU 104 N 0.00 0.00 0.00 4.19 3.38 -1.02 -3.49 115.31 118.37 1quw h LEU 104 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1quw h LEU 104 Cb 1.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1quw h LEU 104 CO 0.09 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.62