#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 4.37 0.57 0.00 -4.23 -1.26 -4.73 115.64 110.35 1quw s THR 2 Ca 0.00 -0.77 -0.04 0.00 -1.18 0.00 0.00 61.69 59.70 1quw s THR 2 Cb 0.00 -3.07 0.01 0.00 1.34 0.00 0.00 72.50 70.79 1quw s THR 2 CO 0.00 0.18 0.86 -0.32 -0.54 0.00 0.00 174.62 174.80 1quw s MET 3 N -2.19 2.86 -0.12 3.99 -2.45 -0.29 -4.97 119.30 116.13 1quw s MET 3 Ca 0.26 -0.16 -0.01 0.00 -1.25 0.00 0.00 55.69 54.53 1quw s MET 3 Cb -0.12 -2.33 0.03 0.00 1.25 0.00 0.00 34.83 33.67 1quw s MET 3 CO 0.19 -0.67 -0.02 0.99 1.05 0.00 0.00 175.02 176.56 1quw s THR 4 N -2.92 0.67 0.51 10.11 2.01 -1.26 -1.00 115.64 123.76 1quw s THR 4 Ca 0.54 -0.20 0.07 0.00 0.31 0.00 0.00 61.69 62.41 1quw s THR 4 Cb -0.10 -0.85 0.03 0.00 0.01 0.00 0.00 72.50 71.59 1quw s THR 4 CO 0.43 0.19 0.49 -0.76 -0.69 0.00 0.00 174.62 174.29 1quw s LEU 5 N 1.84 3.00 0.31 4.42 1.02 0.38 -4.83 118.68 124.82 1quw s LEU 5 Ca 0.03 -1.00 -0.15 0.00 0.02 0.00 0.00 54.13 53.03 1quw s LEU 5 Cb -0.14 -1.56 0.02 0.00 0.02 0.00 0.00 46.19 44.54 1quw s LEU 5 CO -0.07 -1.03 0.65 0.28 0.02 0.00 0.00 176.35 176.20 1quw s THR 6 N -2.66 0.00 0.30 5.49 -1.32 -1.26 -4.27 115.64 111.92 1quw s THR 6 Ca 0.45 -1.18 0.03 0.00 -1.21 0.00 0.00 61.69 59.78 1quw s THR 6 Cb -0.03 -2.41 0.34 0.00 -1.51 0.00 0.00 72.50 68.89 1quw s THR 6 CO 0.27 0.00 1.62 -2.24 -2.21 0.00 0.00 174.62 172.06 1quw h ASP 7 N 2.08 -0.11 0.06 8.08 2.03 -1.94 0.65 116.42 127.26 1quw h ASP 7 Ca -0.26 0.23 -0.27 0.00 -0.73 0.00 0.00 57.03 56.00 1quw h ASP 7 Cb 1.25 0.33 -0.02 0.00 -0.83 0.00 0.00 39.33 40.06 1quw h ASP 7 CO 0.33 -0.24 -1.44 0.00 -1.03 0.00 0.00 179.24 176.86 1quw h ALA 8 N 1.85 0.28 0.00 4.15 0.00 -2.02 -3.33 119.26 120.19 1quw h ALA 8 Ca 0.59 -1.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.24 1quw h ALA 8 Cb 1.24 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1quw h ALA 8 CO -0.74 0.87 -0.25 -0.97 0.00 0.00 0.00 179.25 178.15 1quw h ASN 9 N -0.55 0.00 0.06 0.00 -1.24 -1.88 -3.12 115.58 108.85 1quw h ASN 9 Ca -0.34 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.67 1quw h ASN 9 Cb 1.60 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.64 1quw h ASN 9 CO -0.06 0.25 -0.07 0.15 -1.29 0.00 0.00 177.43 176.41 1quw h PHE 10 N 0.00 -0.19 -0.01 0.67 3.04 0.17 0.20 116.94 120.82 1quw h PHE 10 Ca -0.00 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.87 1quw h PHE 10 Cb 0.67 0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.24 1quw h PHE 10 CO 0.00 -0.12 -0.36 1.96 -2.02 0.00 0.00 178.31 177.78 1quw h GLN 11 N -0.16 0.03 -0.02 1.11 1.08 -1.65 -2.00 115.11 113.50 1quw h GLN 11 Ca 0.01 -0.01 -0.17 0.00 -1.45 0.00 0.00 58.65 57.03 1quw h GLN 11 Cb 0.16 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 1quw h GLN 11 CO -0.03 0.38 -0.73 0.37 -0.95 0.00 0.00 178.83 177.87 1quw h GLN 12 N 0.03 0.15 -0.05 1.46 4.15 -1.44 -3.15 115.11 116.26 1quw h GLN 12 Ca 0.00 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.26 1quw h GLN 12 Cb 0.65 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.37 1quw h GLN 12 CO 0.05 0.82 -0.06 0.00 -1.93 0.00 0.00 178.83 177.70 1quw h ALA 13 N 1.14 0.08 0.00 3.38 0.00 0.09 -3.29 119.26 120.66 1quw h ALA 13 Ca -0.02 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 1quw h ALA 13 Cb 1.30 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1quw h ALA 13 CO 0.11 -0.11 -0.59 -0.84 0.00 0.00 0.00 179.25 177.81 1quw h ILE 14 N -0.33 1.21 0.00 0.00 3.07 -1.51 -3.15 117.51 116.80 1quw h ILE 14 Ca 0.01 -2.18 0.00 0.00 1.55 0.00 0.00 64.86 64.24 1quw h ILE 14 Cb 0.58 2.25 0.00 0.00 -0.27 0.00 0.00 36.82 39.38 1quw h ILE 14 CO 0.01 0.58 0.00 0.00 -1.05 0.00 0.00 178.15 177.69 1quw n GLN 15 N -3.53 0.23 0.00 0.16 1.13 -1.19 -0.94 117.38 113.24 1quw n GLN 15 Ca -0.00 0.34 0.00 0.00 -1.94 0.00 0.00 57.00 55.40 1quw n GLN 15 Cb 0.66 -1.86 0.00 0.00 0.11 0.00 0.00 30.24 29.15 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 0.58 -1.96 1.77 1.08 0.00 -1.19 -4.61 105.19 100.86 1quw n GLY 16 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.16 -0.55 -4.73 1.61 2.03 -1.26 -4.95 116.55 108.54 1quw n ASP 17 Ca 0.00 0.13 -0.42 0.00 0.52 0.00 0.00 54.79 55.02 1quw n ASP 17 Cb 0.00 0.89 -0.03 0.00 -0.72 0.00 0.00 41.12 41.26 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 -2.00 4.23 -0.16 -0.67 2.47 -1.26 -4.64 119.74 117.71 1quw s LYS 18 Ca 0.00 2.34 -0.35 0.00 -1.56 0.00 0.00 55.97 56.41 1quw s LYS 18 Cb 0.00 -3.14 -0.12 0.00 -1.46 0.00 0.00 37.83 33.11 1quw s LYS 18 CO 0.00 -0.55 1.94 -2.30 0.16 0.00 0.00 175.35 174.60 1quw n PRO 19 N 3.41 1.88 -3.76 4.03 -0.02 -1.26 -4.85 135.00 134.43 1quw n PRO 19 Ca 0.11 0.66 -0.37 0.00 -2.02 0.00 0.00 63.50 61.89 1quw n PRO 19 Cb 0.39 -2.60 -0.13 0.00 -0.02 0.00 0.00 33.50 31.15 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 4.81 4.13 -0.46 -1.45 1.01 0.58 -3.14 120.40 125.88 1quw s VAL 20 Ca 0.97 -0.39 -0.24 0.00 0.00 0.00 0.00 61.98 62.31 1quw s VAL 20 Cb -0.74 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 32.66 1quw s VAL 20 CO 0.52 0.24 0.84 -0.22 0.00 0.00 0.00 175.10 176.48 1quw s LEU 21 N 1.56 4.15 -0.03 3.92 2.96 -0.77 -0.74 118.68 129.75 1quw s LEU 21 Ca 0.05 -0.03 -0.23 0.00 -0.22 0.00 0.00 54.13 53.70 1quw s LEU 21 Cb -0.16 -3.05 -0.04 0.00 0.50 0.00 0.00 46.19 43.43 1quw s LEU 21 CO 0.03 -0.98 0.69 -0.69 -1.32 0.00 0.00 176.35 174.08 1quw s VAL 22 N 3.49 4.95 -0.46 1.68 1.01 0.16 -0.93 120.40 130.30 1quw s VAL 22 Ca 0.33 1.43 -0.15 0.00 0.00 0.00 0.00 61.98 63.59 1quw s VAL 22 Cb -0.11 -4.03 0.06 0.00 0.00 0.00 0.00 36.38 32.30 1quw s VAL 22 CO 0.24 0.31 0.37 -1.81 0.00 0.00 0.00 175.10 174.22 1quw s ASP 23 N 0.39 6.11 -0.21 3.32 1.11 0.03 -1.61 116.67 125.81 1quw s ASP 23 Ca 0.36 -1.26 -0.26 0.00 0.18 0.00 0.00 52.55 51.58 1quw s ASP 23 Cb -0.18 -2.17 -0.01 0.00 1.07 0.00 0.00 42.92 41.63 1quw s ASP 23 CO 0.19 -0.60 0.86 -0.36 1.18 0.00 0.00 175.17 176.44 1quw s PHE 24 N 1.64 3.36 0.32 4.23 0.08 0.55 -3.14 117.98 125.02 1quw s PHE 24 Ca 0.04 1.24 -0.02 0.00 0.12 0.00 0.00 56.93 58.30 1quw s PHE 24 Cb -0.23 -3.07 -0.00 0.00 -0.57 0.00 0.00 43.02 39.15 1quw s PHE 24 CO 0.07 -0.35 0.44 1.67 -0.10 0.00 0.00 175.22 176.95 1quw s TRP 25 N 2.60 1.06 0.05 0.36 1.48 -1.11 -0.92 118.94 122.46 1quw s TRP 25 Ca 0.38 -1.28 -0.00 0.00 -1.06 0.00 0.00 56.10 54.13 1quw s TRP 25 Cb -0.16 -0.14 -0.03 0.00 -1.16 0.00 0.00 33.47 31.98 1quw s TRP 25 CO 0.09 -1.07 -0.04 0.00 -4.06 0.00 0.00 176.95 171.88 1quw s ALA 26 N -3.24 0.46 0.26 2.67 0.00 -1.26 -2.28 121.76 118.37 1quw s ALA 26 Ca 0.31 -1.04 0.14 0.00 0.00 0.00 0.00 51.96 51.37 1quw s ALA 26 Cb 0.00 0.21 0.52 0.00 0.00 0.00 0.00 23.12 23.86 1quw s ALA 26 CO 0.19 -0.28 1.69 0.00 0.00 0.00 0.00 175.76 177.36 1quw h ALA 27 N 3.60 1.05 -0.00 0.00 0.00 -2.00 -2.22 119.26 119.69 1quw h ALA 27 Ca -0.34 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1quw h ALA 27 Cb 1.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1quw h ALA 27 CO 0.58 0.63 -0.05 -2.67 0.00 0.00 0.00 179.25 177.74 1quw n TRP 28 N -3.76 0.00 -2.10 0.00 4.27 -1.26 -4.90 117.44 109.69 1quw n TRP 28 Ca -0.01 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.21 1quw n TRP 28 Cb 0.55 -0.35 -0.00 0.00 -1.36 0.00 0.00 31.31 30.14 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 0.64 -0.94 0.00 0.00 0.00 -1.26 -4.45 105.19 99.17 1quw n GLY 30 Ca 0.05 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.60 0.65 0.19 1.61 -0.04 -1.26 -2.60 135.00 128.95 1quw n PRO 31 Ca -0.09 0.02 0.06 0.00 -0.04 0.00 0.00 63.50 63.45 1quw n PRO 31 Cb 0.30 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.60 0.00 -0.00 -1.74 -2.87 114.38 109.17 1quw h ARG 33 Ca -0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.42 1quw h ARG 33 Cb 0.97 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.91 1quw h ARG 33 CO 0.05 0.35 0.14 0.52 0.00 0.00 0.00 179.97 181.02 1quw h MET 34 N 0.00 0.96 -0.00 0.04 2.86 -1.67 -2.31 114.93 114.81 1quw h MET 34 Ca -0.00 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1quw h MET 34 Cb 0.82 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1quw h MET 34 CO 0.05 0.88 -0.02 0.00 1.06 0.00 0.00 176.91 178.88 1quw n MET 35 N -4.35 0.28 0.03 1.72 0.00 -1.19 -4.17 117.12 109.43 1quw n MET 35 Ca 0.03 -0.01 -0.13 0.00 0.00 0.00 0.00 57.70 57.59 1quw n MET 35 Cb 0.24 -1.50 -0.07 0.00 0.00 0.00 0.00 33.22 31.90 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 3.27 -0.64 -0.19 3.17 0.00 -1.18 0.33 119.26 124.02 1quw h ALA 36 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1quw h ALA 36 Cb 0.37 0.77 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1quw h ALA 36 CO 0.00 -0.94 -0.31 -1.00 0.00 0.00 0.00 179.25 177.00 1quw h PRO 37 N -0.53 0.38 -0.60 0.00 0.13 -1.75 -2.62 132.00 127.00 1quw h PRO 37 Ca 0.06 -0.15 0.05 0.00 -0.87 0.00 0.00 66.00 65.09 1quw h PRO 37 Cb 0.64 -0.02 -0.05 0.00 0.13 0.00 0.00 31.00 31.70 1quw h PRO 37 CO -0.36 0.65 0.32 0.28 -0.23 0.00 0.00 178.00 178.66 1quw h VAL 38 N 0.33 0.95 0.00 1.56 2.07 -1.55 -0.68 116.25 118.94 1quw h VAL 38 Ca 0.04 -0.21 -0.11 0.00 0.82 0.00 0.00 66.70 67.25 1quw h VAL 38 Cb 0.71 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1quw h VAL 38 CO 0.05 0.11 -0.51 -0.07 0.02 0.00 0.00 177.57 177.18 1quw h LEU 39 N 0.60 0.00 -0.48 2.57 3.38 -0.19 0.23 115.31 121.43 1quw h LEU 39 Ca 0.27 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.13 1quw h LEU 39 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1quw h LEU 39 CO -0.18 0.51 -0.14 -0.33 0.09 0.00 0.00 178.44 178.39 1quw h GLU 40 N 0.00 0.93 -0.30 1.13 4.39 -1.07 0.62 114.58 120.28 1quw h GLU 40 Ca -0.01 -0.37 -0.08 0.00 0.34 0.00 0.00 59.36 59.24 1quw h GLU 40 Cb 1.01 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.60 1quw h GLU 40 CO 0.07 1.03 -0.17 0.93 -1.16 0.00 0.00 179.01 179.71 1quw h GLU 41 N 0.78 0.54 -0.19 2.33 5.08 -0.70 -2.96 114.58 119.46 1quw h GLU 41 Ca 0.12 -0.17 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 1quw h GLU 41 Cb 0.69 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1quw h GLU 41 CO 0.05 0.69 -0.49 0.35 -1.00 0.00 0.00 179.01 178.61 1quw h PHE 42 N 0.49 0.86 0.00 4.33 3.57 -0.30 -2.68 116.94 123.21 1quw h PHE 42 Ca 0.08 -0.33 -0.04 0.00 3.53 0.00 0.00 57.97 61.21 1quw h PHE 42 Cb 0.57 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1quw h PHE 42 CO 0.02 1.12 -0.18 0.00 -2.23 0.00 0.00 178.31 177.04 1quw h ALA 43 N 0.59 1.27 0.00 2.41 0.00 -0.88 -1.15 119.26 121.49 1quw h ALA 43 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1quw h ALA 43 Cb 1.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1quw h ALA 43 CO 0.11 0.22 -0.11 0.93 0.00 0.00 0.00 179.25 180.39 1quw h GLU 44 N 0.00 0.00 0.10 0.00 5.08 -1.42 -1.31 114.58 117.02 1quw h GLU 44 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1quw h GLU 44 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1quw h GLU 44 CO 0.02 0.00 -0.05 0.00 -1.00 0.00 0.00 179.01 177.99 1quw h ALA 45 N 2.24 -0.13 0.00 3.43 0.00 -0.88 -3.40 119.26 120.52 1quw h ALA 45 Ca 0.00 -0.24 -0.21 0.00 0.00 0.00 0.00 54.91 54.46 1quw h ALA 45 Cb 0.88 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1quw h ALA 45 CO 0.00 -0.17 -1.19 0.45 0.00 0.00 0.00 179.25 178.34 1quw h HIS 46 N -0.93 0.00 0.00 0.00 3.86 -1.60 -3.47 115.15 113.01 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 0.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1quw h HIS 46 CO 0.11 1.42 0.00 0.00 0.86 0.00 0.00 177.93 180.32 1quw n ALA 47 N -3.40 0.00 -0.56 2.45 0.00 -0.49 -3.72 120.51 114.80 1quw n ALA 47 Ca -0.30 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.02 1quw n ALA 47 Cb 0.66 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.15 1quw n ALA 47 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1quw n ASP 48 N 3.31 5.48 0.00 0.00 2.03 -1.26 -3.78 116.55 122.32 1quw n ASP 48 Ca 0.00 -2.84 0.00 0.00 0.52 0.00 0.00 54.79 52.47 1quw n ASP 48 Cb 0.00 -0.96 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 1quw n ASP 48 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1quw n LYS 49 N 0.42 0.00 -3.74 -0.67 3.00 -1.24 -5.07 118.16 110.85 1quw n LYS 49 Ca 0.23 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.33 1quw n LYS 49 Cb 0.66 -0.29 -0.03 0.00 0.00 0.00 0.00 35.03 35.36 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 -1.21 3.74 -0.36 3.15 -7.23 -1.25 -4.29 120.40 112.95 1quw s VAL 50 Ca 0.00 -1.27 0.01 0.00 -1.81 0.00 0.00 61.98 58.91 1quw s VAL 50 Cb 0.00 -3.26 0.14 0.00 0.56 0.00 0.00 36.38 33.82 1quw s VAL 50 CO 0.00 -0.18 0.23 -0.89 -0.31 0.00 0.00 175.10 173.95 1quw s THR 51 N -2.26 0.17 -0.67 5.32 2.01 -1.19 -4.65 115.64 114.38 1quw s THR 51 Ca 0.41 -1.86 -0.26 0.00 0.31 0.00 0.00 61.69 60.29 1quw s THR 51 Cb -0.07 -1.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.28 1quw s THR 51 CO 0.28 -1.03 1.86 0.68 -0.69 0.00 0.00 174.62 175.72 1quw s VAL 52 N 0.91 3.38 0.58 3.82 -7.23 -1.24 -1.84 120.40 118.79 1quw s VAL 52 Ca 0.20 0.10 0.08 0.00 -1.81 0.00 0.00 61.98 60.55 1quw s VAL 52 Cb -0.19 -3.98 0.08 0.00 0.56 0.00 0.00 36.38 32.85 1quw s VAL 52 CO -0.02 -0.95 0.65 0.00 -0.31 0.00 0.00 175.10 174.47 1quw s ALA 53 N 9.16 4.65 -0.20 1.32 0.00 -0.11 -1.14 121.76 135.44 1quw s ALA 53 Ca 0.67 -1.75 -0.04 0.00 0.00 0.00 0.00 51.96 50.83 1quw s ALA 53 Cb -0.11 -1.12 0.08 0.00 0.00 0.00 0.00 23.12 21.96 1quw s ALA 53 CO 0.16 -0.75 0.14 0.15 0.00 0.00 0.00 175.76 175.47 1quw s LYS 54 N -4.54 0.12 -0.09 0.00 -0.14 -0.17 -0.79 119.74 114.13 1quw s LYS 54 Ca 0.49 -0.05 0.02 0.00 -1.36 0.00 0.00 55.97 55.08 1quw s LYS 54 Cb -0.04 -1.55 -0.02 0.00 -1.68 0.00 0.00 37.83 34.55 1quw s LYS 54 CO 0.31 -0.71 -0.16 -1.17 -0.76 0.00 0.00 175.35 172.85 1quw s LEU 55 N 2.20 2.56 -0.29 3.17 0.20 -1.19 -0.47 118.68 124.85 1quw s LEU 55 Ca 0.04 -0.34 -0.27 0.00 0.69 0.00 0.00 54.13 54.25 1quw s LEU 55 Cb -0.16 -1.54 0.01 0.00 -0.43 0.00 0.00 46.19 44.07 1quw s LEU 55 CO -0.14 0.23 0.98 0.20 -0.29 0.00 0.00 176.35 177.33 1quw s ASN 56 N -0.03 6.90 0.24 3.68 -0.87 -1.26 -2.76 114.94 120.83 1quw s ASN 56 Ca -0.04 1.03 0.25 0.00 -1.57 0.00 0.00 52.86 52.53 1quw s ASN 56 Cb -0.14 -2.50 0.91 0.00 -0.02 0.00 0.00 41.25 39.50 1quw s ASN 56 CO 0.04 -0.75 1.74 1.33 -2.57 0.00 0.00 177.10 176.90 1quw n VAL 57 N 5.62 0.72 0.12 1.60 0.24 -0.96 -0.44 118.33 125.23 1quw n VAL 57 Ca 0.10 0.01 -0.24 0.00 -2.04 0.00 0.00 64.34 62.17 1quw n VAL 57 Cb 0.47 -0.91 -0.16 0.00 -1.47 0.00 0.00 33.84 31.77 1quw n VAL 57 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1quw h ASP 58 N 0.00 0.76 0.05 -1.34 3.58 -1.90 -3.39 116.42 114.18 1quw h ASP 58 Ca 0.00 -0.93 -0.08 0.00 0.42 0.00 0.00 57.03 56.44 1quw h ASP 58 Cb 0.52 -0.25 0.01 0.00 1.72 0.00 0.00 39.33 41.33 1quw h ASP 58 CO 0.00 1.68 -0.38 -0.08 -2.88 0.00 0.00 179.24 177.57 1quw h GLU 59 N 0.05 0.11 -4.92 0.28 4.81 -1.90 -3.44 114.58 109.57 1quw h GLU 59 Ca -0.25 -0.18 -0.65 0.00 -0.13 0.00 0.00 59.36 58.15 1quw h GLU 59 Cb 2.08 0.07 -0.17 0.00 0.63 0.00 0.00 28.75 31.36 1quw h GLU 59 CO 0.24 1.09 -0.43 -0.80 -0.73 0.00 0.00 179.01 178.38 1quw s ASN 60 N -6.53 6.09 -0.00 1.04 0.01 0.41 -4.96 114.94 111.00 1quw s ASN 60 Ca -0.18 -0.07 0.20 0.00 -0.71 0.00 0.00 52.86 52.10 1quw s ASN 60 Cb -0.01 -2.15 -0.22 0.00 0.41 0.00 0.00 41.25 39.28 1quw s ASN 60 CO 0.73 -0.15 0.81 -0.81 -1.51 0.00 0.00 177.10 176.18 1quw n PRO 61 N 5.16 0.46 0.02 -0.60 -0.04 -1.26 -4.44 135.00 134.30 1quw n PRO 61 Ca -0.12 -0.01 -0.19 0.00 -0.04 0.00 0.00 63.50 63.14 1quw n PRO 61 Cb 0.51 -1.44 -0.13 0.00 -0.04 0.00 0.00 33.50 32.40 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 0.29 0.11 0.54 -0.00 -1.93 -2.83 114.58 110.75 1quw h GLU 62 Ca 0.00 -0.42 -0.26 0.00 -0.00 0.00 0.00 59.36 58.67 1quw h GLU 62 Cb 0.50 0.15 -0.00 0.00 -0.00 0.00 0.00 28.75 29.40 1quw h GLU 62 CO 0.00 1.17 -1.20 0.00 -0.00 0.00 0.00 179.01 178.98 1quw h THR 63 N -0.38 1.53 0.00 -1.06 1.03 -1.91 -2.79 112.91 109.33 1quw h THR 63 Ca -0.11 -3.09 -0.04 0.00 -0.01 0.00 0.00 66.41 63.16 1quw h THR 63 Cb 1.46 2.91 -0.01 0.00 -1.07 0.00 0.00 68.15 71.45 1quw h THR 63 CO 0.12 0.90 -0.20 0.00 -0.01 0.00 0.00 175.52 176.33 1quw h THR 64 N 0.07 0.93 0.03 0.00 1.03 -1.78 -1.86 112.91 111.33 1quw h THR 64 Ca -0.12 -0.75 -0.21 0.00 -0.01 0.00 0.00 66.41 65.32 1quw h THR 64 Cb 1.93 1.43 -0.01 0.00 -1.07 0.00 0.00 68.15 70.42 1quw h THR 64 CO 0.19 0.20 -0.98 0.77 -0.01 0.00 0.00 175.52 175.69 1quw h SER 65 N 0.00 0.21 -0.02 0.00 4.64 -1.46 -0.63 113.55 116.28 1quw h SER 65 Ca -0.00 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 61.12 1quw h SER 65 Cb 0.41 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1quw h SER 65 CO 0.03 1.06 -0.01 1.56 -0.87 0.00 0.00 176.83 178.60 1quw h GLN 66 N 0.06 0.05 0.00 4.77 1.08 -1.15 -3.32 115.11 116.60 1quw h GLN 66 Ca -0.05 -0.02 -0.24 0.00 -1.45 0.00 0.00 58.65 56.88 1quw h GLN 66 Cb 1.66 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 29.05 1quw h GLN 66 CO 0.15 0.44 -1.36 0.74 -0.95 0.00 0.00 178.83 177.85 1quw h PHE 67 N -0.34 0.00 -2.40 2.96 0.04 -1.47 -3.49 116.94 112.24 1quw h PHE 67 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1quw h PHE 67 Cb 0.42 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.57 1quw h PHE 67 CO 0.07 0.96 0.00 0.41 -0.60 0.00 0.00 178.31 179.15 1quw n GLY 68 N 1.45 -0.23 3.45 -1.45 0.00 -0.26 -4.97 105.19 103.17 1quw n GLY 68 Ca -0.09 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.88 4.38 -2.06 -0.61 -1.09 -1.10 -4.83 121.20 114.00 1quw s ILE 69 Ca 0.00 -0.47 0.20 0.00 -2.23 0.00 0.00 60.65 58.14 1quw s ILE 69 Cb 0.00 -4.68 0.53 0.00 -1.58 0.00 0.00 42.46 36.73 1quw s ILE 69 CO 0.00 -1.44 1.46 0.23 -1.23 0.00 0.00 174.94 173.96 1quw n MET 70 N 7.56 2.42 -3.56 2.79 2.81 -1.26 -4.94 117.12 122.94 1quw n MET 70 Ca -0.03 -2.20 -0.13 0.00 -1.81 0.00 0.00 57.70 53.54 1quw n MET 70 Cb 0.45 -1.48 -0.04 0.00 -0.71 0.00 0.00 33.22 31.44 1quw n MET 70 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1quw s SER 71 N -1.07 -0.41 -0.01 7.83 0.15 -1.26 -5.17 113.70 113.76 1quw s SER 71 Ca 0.41 0.01 -0.03 0.00 0.70 0.00 0.00 55.95 57.04 1quw s SER 71 Cb 0.22 0.51 -0.00 0.00 -1.71 0.00 0.00 66.02 65.03 1quw s SER 71 CO 0.29 -0.80 0.05 0.27 1.20 0.00 0.00 173.24 174.25 1quw s ILE 72 N -3.06 0.05 0.13 6.45 -5.25 -1.26 -3.94 121.20 114.32 1quw s ILE 72 Ca -0.02 -0.45 -0.26 0.00 -0.99 0.00 0.00 60.65 58.94 1quw s ILE 72 Cb -0.00 -0.23 -0.07 0.00 2.95 0.00 0.00 42.46 45.11 1quw s ILE 72 CO -0.07 -0.25 0.79 -2.16 -1.79 0.00 0.00 174.94 171.47 1quw s PRO 73 N -0.77 4.56 -0.23 0.37 0.04 -1.26 -4.60 135.00 133.11 1quw s PRO 73 Ca -0.08 1.16 -0.03 0.00 0.04 0.00 0.00 61.00 62.08 1quw s PRO 73 Cb -0.05 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1quw s PRO 73 CO 0.00 0.46 -0.04 0.99 0.04 0.00 0.00 177.00 178.45 1quw s THR 74 N -0.75 3.25 -0.21 1.26 2.01 -0.10 -1.24 115.64 119.86 1quw s THR 74 Ca 0.37 -0.65 -0.14 0.00 0.31 0.00 0.00 61.69 61.59 1quw s THR 74 Cb -0.22 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 1quw s THR 74 CO 0.26 0.35 0.31 -0.76 -0.69 0.00 0.00 174.62 174.08 1quw s LEU 75 N 1.44 4.16 -0.05 4.42 2.01 -0.67 -0.33 118.68 129.66 1quw s LEU 75 Ca 0.04 0.39 -0.00 0.00 0.01 0.00 0.00 54.13 54.57 1quw s LEU 75 Cb -0.15 -2.36 0.03 0.00 0.01 0.00 0.00 46.19 43.71 1quw s LEU 75 CO -0.04 -0.00 0.01 -0.63 1.01 0.00 0.00 176.35 176.70 1quw s ILE 76 N 1.09 0.22 -0.08 -0.59 1.01 -0.64 -2.53 121.20 119.68 1quw s ILE 76 Ca 0.15 0.14 -0.16 0.00 0.00 0.00 0.00 60.65 60.78 1quw s ILE 76 Cb -0.14 -0.35 -0.05 0.00 0.01 0.00 0.00 42.46 41.93 1quw s ILE 76 CO 0.06 0.19 0.41 -0.22 0.00 0.00 0.00 174.94 175.38 1quw s LEU 77 N 1.50 4.35 -0.11 2.97 0.20 -1.19 -0.67 118.68 125.74 1quw s LEU 77 Ca -0.03 0.81 0.02 0.00 0.69 0.00 0.00 54.13 55.62 1quw s LEU 77 Cb -0.13 -2.58 -0.01 0.00 -0.43 0.00 0.00 46.19 43.03 1quw s LEU 77 CO -0.03 0.15 -0.17 -0.36 -0.29 0.00 0.00 176.35 175.66 1quw s PHE 78 N -0.10 2.71 0.00 5.38 0.40 0.08 -0.22 117.98 126.23 1quw s PHE 78 Ca 0.23 -0.66 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 1quw s PHE 78 Cb -0.15 -1.76 0.00 0.00 0.51 0.00 0.00 43.02 41.62 1quw s PHE 78 CO 0.10 -0.19 0.00 1.17 0.70 0.00 0.00 175.22 177.00 1quw n LYS 79 N 3.29 0.00 -2.64 0.44 4.81 -1.08 -0.30 118.16 122.68 1quw n LYS 79 Ca -0.18 0.17 -0.26 0.00 -0.87 0.00 0.00 58.31 57.17 1quw n LYS 79 Cb 0.53 -0.63 -0.01 0.00 0.02 0.00 0.00 35.03 34.93 1quw n LYS 79 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1quw n GLY 80 N 1.81 5.66 1.12 3.14 0.00 -1.26 -4.19 105.19 111.46 1quw n GLY 80 Ca 0.00 -2.69 0.00 0.00 0.00 0.00 0.00 46.02 43.33 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 -0.38 0.68 3.52 -0.02 0.00 -0.11 -4.71 105.19 104.16 1quw n GLY 81 Ca 0.35 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.00 0.53 -0.13 1.61 3.00 -1.26 -4.97 118.95 113.72 1quw s ARG 82 Ca 0.00 1.26 -0.29 0.00 -1.00 0.00 0.00 55.73 55.70 1quw s ARG 82 Cb 0.00 0.75 -0.03 0.00 0.00 0.00 0.00 34.95 35.67 1quw s ARG 82 CO 0.00 -0.26 1.37 -1.25 0.00 0.00 0.00 175.30 175.17 1quw s PRO 83 N 2.83 4.22 -0.04 5.12 0.04 -1.26 -2.64 135.00 143.27 1quw s PRO 83 Ca -0.01 1.81 -0.22 0.00 0.04 0.00 0.00 61.00 62.62 1quw s PRO 83 Cb -0.12 -3.83 -0.28 0.00 0.04 0.00 0.00 34.50 30.31 1quw s PRO 83 CO -0.19 -0.75 0.94 -0.39 0.04 0.00 0.00 177.00 176.66 1quw h VAL 84 N 5.51 1.52 -3.76 -0.36 -1.51 -0.98 -3.48 116.25 113.20 1quw h VAL 84 Ca -0.30 -2.36 -0.08 0.00 -1.23 0.00 0.00 66.70 62.73 1quw h VAL 84 Cb 1.12 3.04 -0.13 0.00 -2.13 0.00 0.00 31.29 33.19 1quw h VAL 84 CO 0.97 0.66 -0.30 -0.54 -1.23 0.00 0.00 177.57 177.13 1quw s LYS 85 N -2.66 0.99 -0.18 5.19 1.02 -1.26 -5.03 119.74 117.81 1quw s LYS 85 Ca -0.14 -0.99 -0.04 0.00 0.02 0.00 0.00 55.97 54.81 1quw s LYS 85 Cb 0.01 0.38 0.08 0.00 -0.52 0.00 0.00 37.83 37.77 1quw s LYS 85 CO 0.81 -0.35 0.16 -1.14 -0.92 0.00 0.00 175.35 173.91 1quw s GLN 86 N -3.89 0.12 0.27 1.68 0.74 -1.26 -3.19 119.66 114.13 1quw s GLN 86 Ca 0.09 0.07 0.12 0.00 0.05 0.00 0.00 55.36 55.69 1quw s GLN 86 Cb 0.04 -1.49 -0.05 0.00 1.10 0.00 0.00 33.01 32.61 1quw s GLN 86 CO -0.07 -0.66 -0.18 -0.48 -0.55 0.00 0.00 175.29 173.35 1quw s LEU 87 N 2.23 2.64 0.13 3.68 2.34 -1.05 -5.02 118.68 123.63 1quw s LEU 87 Ca 0.04 -0.97 -0.02 0.00 0.06 0.00 0.00 54.13 53.24 1quw s LEU 87 Cb -0.16 -1.17 -0.03 0.00 -0.56 0.00 0.00 46.19 44.27 1quw s LEU 87 CO -0.10 0.04 0.10 0.27 -1.06 0.00 0.00 176.35 175.60 1quw s ILE 88 N -2.40 0.10 0.00 1.48 -0.00 -1.26 -1.66 121.20 117.45 1quw s ILE 88 Ca 0.29 -1.81 0.00 0.00 -0.00 0.00 0.00 60.65 59.13 1quw s ILE 88 Cb -0.05 -1.99 0.00 0.00 -0.00 0.00 0.00 42.46 40.42 1quw s ILE 88 CO 0.15 -0.45 0.00 0.61 -0.00 0.00 0.00 174.94 175.25 1quw n GLY 89 N -0.11 -0.12 3.66 6.27 0.00 -0.38 -4.81 105.19 109.70 1quw n GLY 89 Ca -0.06 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.88 2.37 -0.18 1.61 5.04 -1.26 -4.54 117.35 118.51 1quw s TYR 90 Ca 0.00 0.58 0.01 0.00 -2.44 0.00 0.00 57.07 55.22 1quw s TYR 90 Cb 0.00 -3.75 0.02 0.00 0.35 0.00 0.00 41.96 38.57 1quw s TYR 90 CO 0.00 -2.82 -0.19 1.14 -1.34 0.00 0.00 175.55 172.34 1quw s GLN 91 N 3.88 3.02 1.05 4.97 -2.07 -1.26 -5.10 119.66 124.15 1quw s GLN 91 Ca 0.65 -0.82 -0.19 0.00 -1.82 0.00 0.00 55.36 53.18 1quw s GLN 91 Cb -0.27 -2.57 0.02 0.00 -1.09 0.00 0.00 33.01 29.09 1quw s GLN 91 CO 0.23 -0.18 -0.24 -2.30 -1.32 0.00 0.00 175.29 171.48 1quw n PRO 92 N 4.54 -0.92 -0.13 9.60 -0.02 -1.26 -4.48 135.00 142.33 1quw n PRO 92 Ca -0.21 -0.25 0.01 0.00 -2.02 0.00 0.00 63.50 61.04 1quw n PRO 92 Cb 0.50 -1.56 0.31 0.00 -0.02 0.00 0.00 33.50 32.73 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 -1.69 0.80 0.00 -0.52 3.64 -1.99 0.15 116.57 116.96 1quw h LYS 93 Ca -0.48 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 58.78 1quw h LYS 93 Cb 1.35 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1quw h LYS 93 CO 0.33 0.55 -0.27 1.05 -2.27 0.00 0.00 179.45 178.85 1quw h GLU 94 N 0.82 0.00 -0.03 1.90 4.11 -1.99 0.28 114.58 119.67 1quw h GLU 94 Ca 0.22 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.40 1quw h GLU 94 Cb -0.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.21 1quw h GLU 94 CO -0.04 0.27 -0.95 1.96 0.07 0.00 0.00 179.01 180.31 1quw h GLN 95 N 0.00 0.63 0.15 1.06 1.08 -1.29 -2.58 115.11 114.16 1quw h GLN 95 Ca -0.00 -0.63 0.01 0.00 -1.45 0.00 0.00 58.65 56.58 1quw h GLN 95 Cb 0.49 0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 28.06 1quw h GLN 95 CO 0.04 1.24 -0.22 -0.07 -0.95 0.00 0.00 178.83 178.86 1quw h LEU 96 N 0.37 -0.60 -0.52 1.46 -0.00 -0.42 -1.99 115.31 113.61 1quw h LEU 96 Ca -0.10 0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.84 1quw h LEU 96 Cb 1.59 0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 42.45 1quw h LEU 96 CO 0.18 -0.31 0.28 -0.33 -0.00 0.00 0.00 178.44 178.26 1quw h GLU 97 N -0.43 0.73 -0.25 1.13 5.08 -0.96 0.31 114.58 120.18 1quw h GLU 97 Ca 0.02 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1quw h GLU 97 Cb 0.43 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1quw h GLU 97 CO -0.10 0.58 0.13 0.00 -1.00 0.00 0.00 179.01 178.62 1quw h ALA 98 N 1.12 0.32 -0.09 3.43 0.00 -1.48 -1.09 119.26 121.46 1quw h ALA 98 Ca 0.18 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1quw h ALA 98 Cb 0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1quw h ALA 98 CO -0.03 -0.14 0.05 0.37 0.00 0.00 0.00 179.25 179.50 1quw h GLN 99 N 0.29 0.13 -0.08 0.00 5.75 -0.91 -3.21 115.11 117.08 1quw h GLN 99 Ca 0.09 -0.02 -0.16 0.00 -0.15 0.00 0.00 58.65 58.41 1quw h GLN 99 Cb 0.07 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 1quw h GLN 99 CO -0.01 0.18 -0.65 -0.07 -2.65 0.00 0.00 178.83 175.63 1quw h LEU 100 N 0.05 0.36 -1.49 -2.39 -0.00 -0.35 -3.07 115.31 108.42 1quw h LEU 100 Ca 0.03 -0.22 0.10 0.00 -0.00 0.00 0.00 57.88 57.79 1quw h LEU 100 Cb 0.09 -0.11 -0.05 0.00 -0.00 0.00 0.00 40.66 40.60 1quw h LEU 100 CO -0.00 0.91 0.47 0.00 -0.00 0.00 0.00 178.44 179.82 1quw h ALA 101 N 1.08 1.90 -0.42 1.53 0.00 -1.20 0.66 119.26 122.82 1quw h ALA 101 Ca -0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1quw h ALA 101 Cb 1.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1quw h ALA 101 CO 0.11 -0.06 -0.02 0.22 0.00 0.00 0.00 179.25 179.49 1quw h ASP 102 N 0.56 0.74 0.88 0.00 1.82 -1.58 -3.28 116.42 115.56 1quw h ASP 102 Ca 0.33 -0.32 -0.21 0.00 -0.39 0.00 0.00 57.03 56.44 1quw h ASP 102 Cb 0.53 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 40.30 1quw h ASP 102 CO -0.11 0.88 -1.21 -0.37 -1.61 0.00 0.00 179.24 176.83 1quw h VAL 103 N 0.58 1.05 0.00 2.25 -1.51 -1.45 -3.34 116.25 113.83 1quw h VAL 103 Ca 0.11 -2.70 0.00 0.00 -1.23 0.00 0.00 66.70 62.89 1quw h VAL 103 Cb 0.52 2.47 0.00 0.00 -2.13 0.00 0.00 31.29 32.15 1quw h VAL 103 CO 0.03 0.60 0.00 0.18 -1.23 0.00 0.00 177.57 177.15 1quw n LEU 104 N -3.14 0.47 0.00 4.19 4.77 0.16 -5.12 117.00 118.33 1quw n LEU 104 Ca -0.07 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1quw n LEU 104 Cb 0.92 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1quw n LEU 104 CO 0.44 -0.26 0.10 0.00 -1.33 0.00 0.00 177.39 176.34