#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 4.52 0.41 0.00 -4.23 -1.26 -4.69 115.64 110.38 1quw s THR 2 Ca 0.00 1.26 0.04 0.00 -1.18 0.00 0.00 61.69 61.81 1quw s THR 2 Cb 0.00 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.18 1quw s THR 2 CO 0.00 -0.18 0.58 -0.32 -0.54 0.00 0.00 174.62 174.16 1quw s MET 3 N -2.91 2.99 -0.11 3.99 -2.45 -0.88 -4.99 119.30 114.94 1quw s MET 3 Ca 0.56 -0.88 -0.01 0.00 -1.25 0.00 0.00 55.69 54.11 1quw s MET 3 Cb -0.11 -2.70 0.03 0.00 1.25 0.00 0.00 34.83 33.31 1quw s MET 3 CO 0.16 -0.18 -0.02 0.99 1.05 0.00 0.00 175.02 177.02 1quw s THR 4 N -2.38 0.69 0.41 10.11 2.01 -1.26 -1.86 115.64 123.36 1quw s THR 4 Ca 0.49 -0.19 0.08 0.00 0.31 0.00 0.00 61.69 62.38 1quw s THR 4 Cb -0.10 -0.85 -0.01 0.00 0.01 0.00 0.00 72.50 71.56 1quw s THR 4 CO 0.34 0.22 0.47 -0.76 -0.69 0.00 0.00 174.62 174.20 1quw s LEU 5 N 1.83 3.54 0.04 4.42 1.02 -0.63 -4.85 118.68 124.06 1quw s LEU 5 Ca 0.04 -0.57 -0.27 0.00 0.02 0.00 0.00 54.13 53.35 1quw s LEU 5 Cb -0.13 -2.37 0.07 0.00 0.02 0.00 0.00 46.19 43.77 1quw s LEU 5 CO -0.07 -0.69 0.63 0.28 0.02 0.00 0.00 176.35 176.52 1quw s THR 6 N -2.40 0.00 0.32 5.49 -1.32 -1.26 -4.40 115.64 112.07 1quw s THR 6 Ca 0.51 -0.03 0.11 0.00 -1.21 0.00 0.00 61.69 61.07 1quw s THR 6 Cb -0.07 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.29 1quw s THR 6 CO 0.30 -0.02 1.48 -0.90 -2.21 0.00 0.00 174.62 173.28 1quw n ASP 7 N 0.35 0.12 -0.03 8.08 5.75 -1.26 0.19 116.55 129.74 1quw n ASP 7 Ca -0.18 1.58 -0.13 0.00 -0.01 0.00 0.00 54.79 56.05 1quw n ASP 7 Cb 0.61 -0.68 -0.11 0.00 -1.03 0.00 0.00 41.12 39.91 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 1.88 -0.02 0.00 2.12 0.00 -2.02 -3.26 119.26 117.96 1quw h ALA 8 Ca 0.69 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 55.11 1quw h ALA 8 Cb 1.66 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 1quw h ALA 8 CO -0.80 -0.13 -0.62 -0.97 0.00 0.00 0.00 179.25 176.72 1quw h ASN 9 N -0.78 0.00 -0.52 0.00 -1.24 -1.54 -3.29 115.58 108.21 1quw h ASN 9 Ca -0.00 0.00 0.10 0.00 0.71 0.00 0.00 56.30 57.11 1quw h ASN 9 Cb 0.73 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 39.68 1quw h ASN 9 CO 0.00 0.62 -0.13 0.15 -1.29 0.00 0.00 177.43 176.78 1quw h PHE 10 N 0.00 -0.28 -0.42 0.67 3.57 0.19 0.59 116.94 121.26 1quw h PHE 10 Ca -0.01 0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 1quw h PHE 10 Cb 1.18 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 40.12 1quw h PHE 10 CO 0.00 -0.23 -0.10 1.96 -2.23 0.00 0.00 178.31 177.72 1quw h GLN 11 N -0.00 0.80 -0.17 1.11 1.08 -1.62 -2.42 115.11 113.89 1quw h GLN 11 Ca 0.25 -0.30 -0.04 0.00 -1.45 0.00 0.00 58.65 57.11 1quw h GLN 11 Cb 0.38 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1quw h GLN 11 CO -0.54 0.92 -0.05 0.37 -0.95 0.00 0.00 178.83 178.59 1quw h GLN 12 N 0.62 0.26 -0.16 1.46 4.15 -1.39 -0.84 115.11 119.21 1quw h GLN 12 Ca 0.11 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 1quw h GLN 12 Cb 0.62 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.26 1quw h GLN 12 CO 0.04 0.33 0.03 0.00 -1.93 0.00 0.00 178.83 177.30 1quw h ALA 13 N 1.70 0.21 0.00 3.38 0.00 0.53 -3.18 119.26 121.91 1quw h ALA 13 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1quw h ALA 13 Cb 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1quw h ALA 13 CO 0.01 -0.14 -0.21 -0.84 0.00 0.00 0.00 179.25 178.08 1quw h ILE 14 N 0.06 0.00 0.00 0.00 3.07 -1.28 -3.24 117.51 116.11 1quw h ILE 14 Ca 0.05 -0.96 0.00 0.00 1.55 0.00 0.00 64.86 65.50 1quw h ILE 14 Cb 0.28 1.85 0.00 0.00 -0.27 0.00 0.00 36.82 38.69 1quw h ILE 14 CO 0.00 0.00 0.00 1.56 -1.05 0.00 0.00 178.15 178.66 1quw h GLN 15 N 0.00 0.00 0.00 0.16 1.08 -1.13 -1.86 115.11 113.36 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 0.98 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.41 1quw h GLN 15 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 1quw n GLY 16 N 0.63 -2.58 1.05 3.46 0.00 -1.21 -4.77 105.19 101.76 1quw n GLY 16 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.19 -0.00 -4.76 1.61 5.75 -1.26 -5.03 116.55 112.67 1quw n ASP 17 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.39 1quw n ASP 17 Cb 0.00 0.26 -0.06 0.00 -1.03 0.00 0.00 41.12 40.29 1quw n ASP 17 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1quw s LYS 18 N -2.00 4.73 -0.24 0.11 2.20 -1.26 -4.59 119.74 118.68 1quw s LYS 18 Ca 0.00 1.44 -0.40 0.00 -0.36 0.00 0.00 55.97 56.65 1quw s LYS 18 Cb 0.00 -3.07 -0.19 0.00 -1.51 0.00 0.00 37.83 33.06 1quw s LYS 18 CO 0.00 0.40 1.25 -2.30 -0.36 0.00 0.00 175.35 174.34 1quw n PRO 19 N 1.08 0.00 -4.37 4.03 -0.02 -1.26 -4.78 135.00 129.68 1quw n PRO 19 Ca -0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.19 1quw n PRO 19 Cb 0.48 -1.39 -0.17 0.00 -0.02 0.00 0.00 33.50 32.40 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 1.45 1.48 0.07 -1.45 1.01 0.01 -4.47 120.40 118.50 1quw s VAL 20 Ca 0.91 -0.62 -0.25 0.00 0.00 0.00 0.00 61.98 62.02 1quw s VAL 20 Cb -1.29 -1.36 -0.06 0.00 0.00 0.00 0.00 36.38 33.67 1quw s VAL 20 CO 0.65 0.44 0.77 -0.22 0.00 0.00 0.00 175.10 176.74 1quw s LEU 21 N 1.09 4.47 -0.13 3.92 2.96 -0.82 -0.82 118.68 129.35 1quw s LEU 21 Ca -0.04 1.48 -0.01 0.00 -0.22 0.00 0.00 54.13 55.34 1quw s LEU 21 Cb -0.14 -3.24 -0.02 0.00 0.50 0.00 0.00 46.19 43.29 1quw s LEU 21 CO -0.03 0.05 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.24 1quw s VAL 22 N -0.24 3.19 -0.36 1.68 1.01 0.13 -1.12 120.40 124.69 1quw s VAL 22 Ca 0.38 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.64 1quw s VAL 22 Cb -0.21 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 33.84 1quw s VAL 22 CO 0.24 0.52 0.19 -1.81 0.00 0.00 0.00 175.10 174.23 1quw s ASP 23 N 0.32 5.66 -0.28 3.32 1.11 -0.17 -1.39 116.67 125.24 1quw s ASP 23 Ca -0.09 -0.90 -0.22 0.00 0.18 0.00 0.00 52.55 51.52 1quw s ASP 23 Cb -0.16 -2.01 -0.01 0.00 1.07 0.00 0.00 42.92 41.82 1quw s ASP 23 CO 0.05 -0.34 0.72 -0.36 1.18 0.00 0.00 175.17 176.42 1quw s PHE 24 N 1.56 3.24 0.30 4.23 0.40 0.71 -2.75 117.98 125.66 1quw s PHE 24 Ca 0.02 0.82 -0.07 0.00 -0.60 0.00 0.00 56.93 57.10 1quw s PHE 24 Cb -0.19 -3.04 -0.00 0.00 0.51 0.00 0.00 43.02 40.30 1quw s PHE 24 CO 0.06 -0.46 0.47 1.67 0.70 0.00 0.00 175.22 177.66 1quw s TRP 25 N 2.74 0.74 0.02 0.36 1.48 -1.24 -0.99 118.94 122.05 1quw s TRP 25 Ca 0.30 -1.05 -0.02 0.00 -1.06 0.00 0.00 56.10 54.26 1quw s TRP 25 Cb -0.15 0.04 -0.02 0.00 -1.16 0.00 0.00 33.47 32.18 1quw s TRP 25 CO 0.10 -1.07 0.02 0.00 -4.06 0.00 0.00 176.95 171.95 1quw s ALA 26 N -3.48 0.03 0.31 2.67 0.00 -1.26 -3.24 121.76 116.80 1quw s ALA 26 Ca 0.27 -0.53 0.10 0.00 0.00 0.00 0.00 51.96 51.80 1quw s ALA 26 Cb -0.00 0.16 0.51 0.00 0.00 0.00 0.00 23.12 23.79 1quw s ALA 26 CO 0.15 -0.20 1.71 0.00 0.00 0.00 0.00 175.76 177.41 1quw h ALA 27 N 4.36 1.15 -0.08 0.00 0.00 -2.03 -2.59 119.26 120.08 1quw h ALA 27 Ca -0.32 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1quw h ALA 27 Cb 1.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1quw h ALA 27 CO 0.44 0.62 0.00 -2.67 0.00 0.00 0.00 179.25 177.64 1quw n TRP 28 N -3.96 0.11 -2.69 0.00 4.27 -1.26 -4.93 117.44 108.99 1quw n TRP 28 Ca -0.02 -0.05 -0.37 0.00 -3.89 0.00 0.00 57.50 53.17 1quw n TRP 28 Cb 0.51 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.41 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 2.93 0.00 1.71 0.00 0.00 -1.91 -3.40 103.07 102.38 1quw h GLY 30 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1quw h GLY 30 CO 0.64 0.00 0.00 -1.55 0.00 0.00 0.00 176.54 175.63 1quw n PRO 31 N -4.59 0.26 0.11 4.80 -0.04 -1.26 -2.57 135.00 131.72 1quw n PRO 31 Ca -0.14 0.03 0.12 0.00 -0.04 0.00 0.00 63.50 63.48 1quw n PRO 31 Cb 0.36 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.27 0.00 3.08 -1.73 -0.97 114.38 114.49 1quw h ARG 33 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1quw h ARG 33 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1quw h ARG 33 CO 0.00 0.16 0.10 0.52 -1.07 0.00 0.00 179.97 179.67 1quw h MET 34 N 0.00 0.40 -0.00 0.04 2.86 -1.74 -2.85 114.93 113.64 1quw h MET 34 Ca -0.00 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1quw h MET 34 Cb 0.28 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1quw h MET 34 CO 0.02 0.45 -0.11 0.00 1.06 0.00 0.00 176.91 178.33 1quw n MET 35 N -4.75 0.82 -0.18 1.72 0.00 -1.08 -4.09 117.12 109.56 1quw n MET 35 Ca -0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 57.70 57.33 1quw n MET 35 Cb 0.14 -1.49 0.04 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 3.72 0.24 0.00 3.17 0.00 -0.93 0.93 119.26 126.39 1quw h ALA 36 Ca 0.00 0.20 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1quw h ALA 36 Cb 0.36 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1quw h ALA 36 CO 0.00 -0.51 -0.39 -1.00 0.00 0.00 0.00 179.25 177.35 1quw h PRO 37 N -0.07 0.00 0.01 0.00 0.13 -1.76 -3.02 132.00 127.30 1quw h PRO 37 Ca 0.26 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 65.13 1quw h PRO 37 Cb 0.47 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.62 1quw h PRO 37 CO -0.61 0.39 -1.05 -0.39 -0.23 0.00 0.00 178.00 176.12 1quw h VAL 38 N 0.00 1.30 -0.17 1.56 -1.51 -1.45 -2.86 116.25 113.12 1quw h VAL 38 Ca -0.00 -2.30 -0.16 0.00 -1.23 0.00 0.00 66.70 63.01 1quw h VAL 38 Cb 0.96 2.41 -0.01 0.00 -2.13 0.00 0.00 31.29 32.52 1quw h VAL 38 CO 0.05 0.71 -0.55 -0.07 -1.23 0.00 0.00 177.57 176.47 1quw h LEU 39 N 0.36 0.56 -0.69 4.19 3.38 -0.90 0.27 115.31 122.49 1quw h LEU 39 Ca -0.13 -0.30 -0.14 0.00 0.09 0.00 0.00 57.88 57.41 1quw h LEU 39 Cb 1.70 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 1quw h LEU 39 CO 0.20 1.00 -0.47 -0.33 0.09 0.00 0.00 178.44 178.94 1quw h GLU 40 N 0.39 0.45 0.00 1.13 4.39 -1.63 -0.20 114.58 119.11 1quw h GLU 40 Ca 0.01 -0.25 -0.08 0.00 0.34 0.00 0.00 59.36 59.38 1quw h GLU 40 Cb 1.09 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 1quw h GLU 40 CO 0.10 0.82 -0.39 0.93 -1.16 0.00 0.00 179.01 179.32 1quw h GLU 41 N 0.36 0.00 -0.09 2.33 5.08 -1.29 -3.16 114.58 117.81 1quw h GLU 41 Ca 0.02 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.14 1quw h GLU 41 Cb 0.96 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.22 1quw h GLU 41 CO 0.08 0.39 -0.89 0.35 -1.00 0.00 0.00 179.01 177.94 1quw h PHE 42 N 0.00 1.07 -0.13 4.33 3.57 0.39 0.15 116.94 126.32 1quw h PHE 42 Ca -0.00 -0.52 -0.10 0.00 3.53 0.00 0.00 57.97 60.88 1quw h PHE 42 Cb 0.70 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1quw h PHE 42 CO 0.00 1.35 -0.36 0.00 -2.23 0.00 0.00 178.31 177.07 1quw h ALA 43 N 0.49 1.16 -0.36 2.41 0.00 -1.12 -1.66 119.26 120.18 1quw h ALA 43 Ca -0.09 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1quw h ALA 43 Cb 1.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1quw h ALA 43 CO 0.18 0.56 0.00 0.39 0.00 0.00 0.00 179.25 180.37 1quw n GLU 44 N -4.07 2.16 -0.05 0.00 1.02 -1.19 -1.73 120.64 116.77 1quw n GLU 44 Ca -0.01 -1.76 -0.08 0.00 -0.02 0.00 0.00 57.16 55.28 1quw n GLU 44 Cb 0.44 -1.44 -0.07 0.00 -0.02 0.00 0.00 31.44 30.35 1quw n GLU 44 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1quw h ALA 45 N 4.18 -0.01 0.00 0.62 0.00 0.28 -3.41 119.26 120.91 1quw h ALA 45 Ca 0.00 -0.28 -0.23 0.00 0.00 0.00 0.00 54.91 54.40 1quw h ALA 45 Cb 0.73 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1quw h ALA 45 CO 0.00 -0.02 -1.40 0.72 0.00 0.00 0.00 179.25 178.55 1quw n HIS 46 N -4.70 0.71 0.00 0.00 8.25 -1.11 -4.95 115.22 113.43 1quw n HIS 46 Ca -0.06 0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 1quw n HIS 46 Cb 0.27 -0.98 0.00 0.00 1.12 0.00 0.00 29.99 30.40 1quw n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1quw n ALA 47 N -3.71 0.00 -0.95 -1.41 0.00 -0.71 -4.10 120.51 109.64 1quw n ALA 47 Ca -0.32 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 52.99 1quw n ALA 47 Cb 0.64 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.05 1quw n ALA 47 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1quw n ASP 48 N 3.08 5.88 0.03 0.00 8.00 -1.26 -3.67 116.55 128.60 1quw n ASP 48 Ca 0.00 -2.78 0.00 0.00 0.71 0.00 0.00 54.79 52.72 1quw n ASP 48 Cb 0.00 -1.21 0.00 0.00 -0.02 0.00 0.00 41.12 39.89 1quw n ASP 48 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1quw n LYS 49 N 1.30 0.00 -3.45 -1.24 3.00 -1.26 -5.12 118.16 111.39 1quw n LYS 49 Ca 0.30 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.30 1quw n LYS 49 Cb 0.64 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.63 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 -2.00 5.03 -0.60 3.15 -7.23 -1.24 -4.96 120.40 112.55 1quw s VAL 50 Ca 0.00 0.18 -0.02 0.00 -1.81 0.00 0.00 61.98 60.33 1quw s VAL 50 Cb 0.00 -3.67 0.15 0.00 0.56 0.00 0.00 36.38 33.42 1quw s VAL 50 CO 0.00 -0.15 0.40 -0.89 -0.31 0.00 0.00 175.10 174.15 1quw s THR 51 N -1.89 3.60 -0.90 5.32 2.01 -1.26 -4.71 115.64 117.80 1quw s THR 51 Ca 0.44 -2.88 -0.25 0.00 0.31 0.00 0.00 61.69 59.31 1quw s THR 51 Cb -0.11 -3.37 0.03 0.00 0.01 0.00 0.00 72.50 69.06 1quw s THR 51 CO 0.26 -0.85 1.46 -0.69 -0.69 0.00 0.00 174.62 174.10 1quw s VAL 52 N 0.05 3.79 0.57 3.82 1.01 -1.26 -1.94 120.40 126.44 1quw s VAL 52 Ca 0.16 -0.31 0.10 0.00 0.00 0.00 0.00 61.98 61.93 1quw s VAL 52 Cb -0.21 -4.87 0.09 0.00 0.00 0.00 0.00 36.38 31.38 1quw s VAL 52 CO -0.03 -1.78 0.79 0.00 0.00 0.00 0.00 175.10 174.07 1quw s ALA 53 N 5.84 4.72 -0.23 5.51 0.00 -0.27 -2.08 121.76 135.25 1quw s ALA 53 Ca 0.45 -2.14 -0.04 0.00 0.00 0.00 0.00 51.96 50.24 1quw s ALA 53 Cb -0.04 -1.45 0.08 0.00 0.00 0.00 0.00 23.12 21.70 1quw s ALA 53 CO 0.00 -0.86 0.09 0.15 0.00 0.00 0.00 175.76 175.14 1quw s LYS 54 N -4.66 0.36 -0.28 0.00 -0.14 -0.78 -1.00 119.74 113.24 1quw s LYS 54 Ca 0.62 -0.44 -0.06 0.00 -1.36 0.00 0.00 55.97 54.73 1quw s LYS 54 Cb -0.06 -1.76 0.01 0.00 -1.68 0.00 0.00 37.83 34.34 1quw s LYS 54 CO 0.39 -0.80 0.06 -1.17 -0.76 0.00 0.00 175.35 173.07 1quw s LEU 55 N 1.97 3.70 -0.07 3.17 1.98 -1.11 -1.60 118.68 126.73 1quw s LEU 55 Ca 0.04 -0.66 -0.28 0.00 -2.89 0.00 0.00 54.13 50.34 1quw s LEU 55 Cb -0.16 -1.86 -0.02 0.00 0.66 0.00 0.00 46.19 44.80 1quw s LEU 55 CO -0.18 -0.16 0.92 0.20 -1.89 0.00 0.00 176.35 175.23 1quw s ASN 56 N 1.49 7.21 0.42 3.68 -0.87 -1.26 -3.69 114.94 121.92 1quw s ASN 56 Ca 0.03 1.48 0.29 0.00 -1.57 0.00 0.00 52.86 53.08 1quw s ASN 56 Cb -0.17 -2.52 1.13 0.00 -0.02 0.00 0.00 41.25 39.67 1quw s ASN 56 CO 0.02 -0.31 1.85 -0.37 -2.57 0.00 0.00 177.10 175.72 1quw h VAL 57 N 4.94 0.00 0.03 1.60 -1.51 -1.82 -2.01 116.25 117.48 1quw h VAL 57 Ca -0.36 -0.45 -0.27 0.00 -1.23 0.00 0.00 66.70 64.39 1quw h VAL 57 Cb 1.18 1.35 0.02 0.00 -2.13 0.00 0.00 31.29 31.72 1quw h VAL 57 CO 0.79 0.00 -1.09 -0.78 -1.23 0.00 0.00 177.57 175.27 1quw h ASP 58 N 0.00 0.87 0.00 4.19 3.58 -1.91 -3.40 116.42 119.76 1quw h ASP 58 Ca 0.00 -0.73 -0.11 0.00 0.42 0.00 0.00 57.03 56.62 1quw h ASP 58 Cb 0.51 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 1quw h ASP 58 CO 0.00 1.53 -0.69 -0.08 -2.88 0.00 0.00 179.24 177.12 1quw h GLU 59 N 0.35 0.00 -5.62 0.28 4.81 -1.92 -3.46 114.58 109.02 1quw h GLU 59 Ca -0.14 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.50 1quw h GLU 59 Cb 1.75 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 31.03 1quw h GLU 59 CO 0.21 0.67 -0.12 -0.80 -0.73 0.00 0.00 179.01 178.24 1quw s ASN 60 N -6.33 6.60 -0.13 1.04 0.01 -0.77 -4.97 114.94 110.39 1quw s ASN 60 Ca -0.20 0.72 0.18 0.00 -0.71 0.00 0.00 52.86 52.85 1quw s ASN 60 Cb 0.02 -2.28 -0.26 0.00 0.41 0.00 0.00 41.25 39.15 1quw s ASN 60 CO 0.47 -0.07 0.26 -0.81 -1.51 0.00 0.00 177.10 175.44 1quw n PRO 61 N 4.14 0.67 0.05 -0.60 -0.04 -1.26 -4.32 135.00 133.64 1quw n PRO 61 Ca -0.07 -0.01 -0.20 0.00 -0.04 0.00 0.00 63.50 63.18 1quw n PRO 61 Cb 0.51 -1.56 -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 0.00 0.30 0.03 0.54 4.11 -1.98 -2.98 114.58 114.60 1quw h GLU 62 Ca -0.38 -0.50 -0.21 0.00 0.07 0.00 0.00 59.36 58.34 1quw h GLU 62 Cb 1.90 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 31.32 1quw h GLU 62 CO 0.03 1.23 -0.97 0.00 0.07 0.00 0.00 179.01 179.37 1quw h THR 63 N -0.36 1.57 -0.39 -1.06 1.03 -1.96 -1.63 112.91 110.12 1quw h THR 63 Ca -0.14 -2.96 -0.12 0.00 -0.01 0.00 0.00 66.41 63.18 1quw h THR 63 Cb 1.62 2.67 -0.01 0.00 -1.07 0.00 0.00 68.15 71.36 1quw h THR 63 CO 0.15 0.86 -0.25 0.00 -0.01 0.00 0.00 175.52 176.27 1quw h THR 64 N 0.05 1.27 0.03 0.00 1.03 -1.75 -2.69 112.91 110.85 1quw h THR 64 Ca -0.05 -1.37 -0.24 0.00 -0.01 0.00 0.00 66.41 64.74 1quw h THR 64 Cb 1.66 1.24 -0.03 0.00 -1.07 0.00 0.00 68.15 69.95 1quw h THR 64 CO 0.14 0.46 -1.16 -1.28 -0.01 0.00 0.00 175.52 173.67 1quw h SER 65 N 0.69 0.09 -0.79 0.00 0.87 -1.53 -0.32 113.55 112.57 1quw h SER 65 Ca 0.09 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1quw h SER 65 Cb 0.77 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.66 1quw h SER 65 CO 0.06 1.09 0.43 -0.61 -0.53 0.00 0.00 176.83 177.27 1quw h GLN 66 N 0.02 1.10 0.01 2.24 4.15 -1.27 -2.96 115.11 118.39 1quw h GLN 66 Ca -0.08 -0.13 -0.25 0.00 0.77 0.00 0.00 58.65 58.96 1quw h GLN 66 Cb 1.85 -0.21 -0.04 0.00 0.21 0.00 0.00 27.48 29.29 1quw h GLN 66 CO 0.14 0.81 -1.33 0.74 -1.93 0.00 0.00 178.83 177.27 1quw h PHE 67 N 1.09 0.04 -1.30 3.99 0.04 -1.54 -3.49 116.94 115.77 1quw h PHE 67 Ca 0.28 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.02 1quw h PHE 67 Cb 0.04 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.18 1quw h PHE 67 CO 0.00 1.03 0.00 0.41 -0.60 0.00 0.00 178.31 179.15 1quw n GLY 68 N 1.46 0.41 3.32 -1.45 0.00 -0.26 -5.02 105.19 103.64 1quw n GLY 68 Ca -0.08 -0.52 -0.46 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.43 5.44 -0.28 -0.61 -1.09 -0.43 -4.82 121.20 116.99 1quw s ILE 69 Ca 0.00 -2.20 0.10 0.00 -2.23 0.00 0.00 60.65 56.32 1quw s ILE 69 Cb 0.00 -4.40 0.47 0.00 -1.58 0.00 0.00 42.46 36.95 1quw s ILE 69 CO 0.00 -0.98 1.18 0.23 -1.23 0.00 0.00 174.94 174.14 1quw n MET 70 N 4.33 3.13 -2.74 2.79 2.81 -1.26 -4.82 117.12 121.36 1quw n MET 70 Ca 0.06 -3.98 -0.07 0.00 -1.81 0.00 0.00 57.70 51.89 1quw n MET 70 Cb 0.45 -2.10 0.05 0.00 -0.71 0.00 0.00 33.22 30.91 1quw n MET 70 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1quw n SER 71 N -0.70 -2.79 -4.77 7.83 2.88 -1.26 -5.10 113.62 109.70 1quw n SER 71 Ca 0.36 -3.13 -0.38 0.00 -1.33 0.00 0.00 58.87 54.39 1quw n SER 71 Cb 0.93 1.72 -0.04 0.00 -0.75 0.00 0.00 64.21 66.07 1quw n SER 71 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1quw s ILE 72 N 0.66 3.59 0.19 2.46 -5.25 -1.26 -2.86 121.20 118.73 1quw s ILE 72 Ca 0.31 1.32 -0.25 0.00 -0.99 0.00 0.00 60.65 61.05 1quw s ILE 72 Cb 0.21 -3.73 -0.08 0.00 2.95 0.00 0.00 42.46 41.81 1quw s ILE 72 CO -0.22 0.11 0.79 -2.16 -1.79 0.00 0.00 174.94 171.67 1quw s PRO 73 N -2.21 4.53 -0.18 0.37 0.04 -1.26 -4.64 135.00 131.65 1quw s PRO 73 Ca 0.54 1.13 0.01 0.00 0.04 0.00 0.00 61.00 62.73 1quw s PRO 73 Cb -0.26 -3.16 0.03 0.00 0.04 0.00 0.00 34.50 31.16 1quw s PRO 73 CO 0.32 0.52 -0.13 0.99 0.04 0.00 0.00 177.00 178.74 1quw s THR 74 N -1.25 1.67 -0.24 1.26 2.01 -0.16 -1.26 115.64 117.66 1quw s THR 74 Ca 0.38 -0.87 -0.11 0.00 0.31 0.00 0.00 61.69 61.40 1quw s THR 74 Cb -0.22 -1.65 -0.05 0.00 0.01 0.00 0.00 72.50 70.59 1quw s THR 74 CO 0.25 0.31 0.17 -0.76 -0.69 0.00 0.00 174.62 173.90 1quw s LEU 75 N 1.41 4.12 -0.05 4.42 2.01 -0.89 -0.21 118.68 129.49 1quw s LEU 75 Ca 0.01 0.13 -0.00 0.00 0.01 0.00 0.00 54.13 54.28 1quw s LEU 75 Cb -0.15 -2.12 0.03 0.00 0.01 0.00 0.00 46.19 43.96 1quw s LEU 75 CO -0.09 0.06 0.00 -0.63 1.01 0.00 0.00 176.35 176.70 1quw s ILE 76 N 1.08 0.24 -0.08 -0.59 1.01 -0.49 -2.73 121.20 119.64 1quw s ILE 76 Ca 0.08 0.13 -0.15 0.00 0.00 0.00 0.00 60.65 60.71 1quw s ILE 76 Cb -0.14 -0.38 -0.05 0.00 0.01 0.00 0.00 42.46 41.91 1quw s ILE 76 CO 0.05 0.20 0.37 -0.22 0.00 0.00 0.00 174.94 175.33 1quw s LEU 77 N 1.50 4.36 0.23 2.97 0.20 -1.16 -0.69 118.68 126.09 1quw s LEU 77 Ca -0.03 0.76 0.08 0.00 0.69 0.00 0.00 54.13 55.63 1quw s LEU 77 Cb -0.13 -2.51 -0.04 0.00 -0.43 0.00 0.00 46.19 43.08 1quw s LEU 77 CO -0.03 0.19 0.05 -0.36 -0.29 0.00 0.00 176.35 175.91 1quw s PHE 78 N -0.24 2.85 0.11 5.38 0.40 -0.00 -0.22 117.98 126.26 1quw s PHE 78 Ca 0.21 -0.16 0.00 0.00 -0.60 0.00 0.00 56.93 56.38 1quw s PHE 78 Cb -0.15 -1.31 0.00 0.00 0.51 0.00 0.00 43.02 42.07 1quw s PHE 78 CO 0.09 0.56 0.00 1.17 0.70 0.00 0.00 175.22 177.74 1quw n LYS 79 N -0.69 0.00 -3.09 0.44 4.81 -1.05 -0.81 118.16 117.76 1quw n LYS 79 Ca -0.08 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.08 1quw n LYS 79 Cb 0.57 -0.02 -0.05 0.00 0.02 0.00 0.00 35.03 35.55 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 1.69 5.36 3.21 3.14 0.00 -1.26 -4.30 105.19 113.04 1quw n GLY 80 Ca 0.00 -2.78 -0.22 0.00 0.00 0.00 0.00 46.02 43.02 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 0.15 -0.47 3.58 -0.02 0.00 -0.70 -4.94 105.19 102.78 1quw n GLY 81 Ca 0.31 0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.47 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 -5.94 0.49 -0.11 1.61 3.00 -1.26 -5.03 118.95 111.72 1quw s ARG 82 Ca 0.42 1.10 -0.29 0.00 -1.00 0.00 0.00 55.73 55.96 1quw s ARG 82 Cb -0.18 0.52 -0.04 0.00 0.00 0.00 0.00 34.95 35.25 1quw s ARG 82 CO 0.52 -0.15 1.48 -1.25 0.00 0.00 0.00 175.30 175.90 1quw s PRO 83 N 2.35 4.20 -0.02 5.12 0.04 -1.26 -2.53 135.00 142.89 1quw s PRO 83 Ca -0.06 1.94 -0.23 0.00 0.04 0.00 0.00 61.00 62.70 1quw s PRO 83 Cb -0.08 -3.89 -0.21 0.00 0.04 0.00 0.00 34.50 30.36 1quw s PRO 83 CO -0.18 -0.79 1.13 -0.39 0.04 0.00 0.00 177.00 176.81 1quw h VAL 84 N 5.55 1.47 -3.63 -0.36 -1.51 -0.93 -3.47 116.25 113.36 1quw h VAL 84 Ca -0.33 -1.78 -0.15 0.00 -1.23 0.00 0.00 66.70 63.20 1quw h VAL 84 Cb 1.14 2.49 -0.21 0.00 -2.13 0.00 0.00 31.29 32.58 1quw h VAL 84 CO 0.96 0.50 -0.55 -0.54 -1.23 0.00 0.00 177.57 176.71 1quw s LYS 85 N -3.47 0.41 -0.06 5.19 1.02 -1.25 -5.04 119.74 116.54 1quw s LYS 85 Ca -0.15 -0.42 -0.01 0.00 0.02 0.00 0.00 55.97 55.41 1quw s LYS 85 Cb 0.02 0.17 0.03 0.00 -0.52 0.00 0.00 37.83 37.53 1quw s LYS 85 CO 0.76 -0.09 -0.00 -1.14 -0.92 0.00 0.00 175.35 173.96 1quw s GLN 86 N -1.31 0.55 0.05 1.68 0.74 -1.26 -3.00 119.66 117.11 1quw s GLN 86 Ca -0.14 0.10 0.03 0.00 0.05 0.00 0.00 55.36 55.39 1quw s GLN 86 Cb -0.08 -0.86 -0.03 0.00 1.10 0.00 0.00 33.01 33.14 1quw s GLN 86 CO 0.01 -0.26 -0.09 -0.48 -0.55 0.00 0.00 175.29 173.92 1quw s LEU 87 N 1.74 2.27 0.16 3.68 2.34 -1.11 -5.07 118.68 122.70 1quw s LEU 87 Ca 0.01 -0.58 0.01 0.00 0.06 0.00 0.00 54.13 53.63 1quw s LEU 87 Cb -0.13 -0.23 -0.04 0.00 -0.56 0.00 0.00 46.19 45.23 1quw s LEU 87 CO -0.04 -0.19 0.02 0.27 -1.06 0.00 0.00 176.35 175.36 1quw s ILE 88 N -1.44 0.47 0.05 1.48 -0.00 -1.26 -2.10 121.20 118.40 1quw s ILE 88 Ca -0.07 -1.95 0.00 0.00 -0.00 0.00 0.00 60.65 58.62 1quw s ILE 88 Cb -0.09 -2.10 0.00 0.00 -0.00 0.00 0.00 42.46 40.26 1quw s ILE 88 CO 0.01 -0.47 0.00 0.61 -0.00 0.00 0.00 174.94 175.09 1quw n GLY 89 N -0.19 -2.19 3.77 6.27 0.00 -0.39 -4.81 105.19 107.65 1quw n GLY 89 Ca -0.06 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.09 2.96 -0.14 1.61 5.04 -1.26 -4.53 117.35 119.93 1quw s TYR 90 Ca 0.00 1.33 -0.04 0.00 -2.44 0.00 0.00 57.07 55.92 1quw s TYR 90 Cb 0.00 -3.76 0.07 0.00 0.35 0.00 0.00 41.96 38.62 1quw s TYR 90 CO 0.00 -2.15 0.22 1.14 -1.34 0.00 0.00 175.55 173.42 1quw s GLN 91 N -1.72 0.13 1.15 4.97 -2.07 -1.26 -5.11 119.66 115.75 1quw s GLN 91 Ca 0.51 0.50 -0.15 0.00 -1.82 0.00 0.00 55.36 54.39 1quw s GLN 91 Cb -0.41 -0.53 0.20 0.00 -1.09 0.00 0.00 33.01 31.18 1quw s GLN 91 CO 0.54 -0.43 0.55 -2.30 -1.32 0.00 0.00 175.29 172.33 1quw n PRO 92 N 5.33 -2.05 -0.35 9.60 -0.02 -1.26 -4.56 135.00 141.69 1quw n PRO 92 Ca -0.05 -0.57 0.08 0.00 -2.02 0.00 0.00 63.50 60.93 1quw n PRO 92 Cb 0.50 -1.95 0.26 0.00 -0.02 0.00 0.00 33.50 32.29 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 -2.40 0.93 0.00 -0.52 3.64 -1.98 0.55 116.57 116.79 1quw h LYS 93 Ca -0.58 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 58.69 1quw h LYS 93 Cb 1.34 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1quw h LYS 93 CO 0.44 0.61 -0.25 1.05 -2.27 0.00 0.00 179.45 179.03 1quw h GLU 94 N 0.95 0.00 -0.20 1.90 4.11 -1.99 0.25 114.58 119.60 1quw h GLU 94 Ca 0.49 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.77 1quw h GLU 94 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1quw h GLU 94 CO -0.25 0.25 -0.44 1.96 0.07 0.00 0.00 179.01 180.59 1quw h GLN 95 N 0.00 0.65 -0.13 1.06 1.08 -1.25 -2.67 115.11 113.84 1quw h GLN 95 Ca -0.00 -0.43 0.03 0.00 -1.45 0.00 0.00 58.65 56.79 1quw h GLN 95 Cb 0.48 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.94 1quw h GLN 95 CO 0.03 1.05 -0.07 -0.07 -0.95 0.00 0.00 178.83 178.83 1quw h LEU 96 N 0.33 -0.22 -0.32 1.46 -0.00 -0.41 -2.31 115.31 113.84 1quw h LEU 96 Ca 0.00 0.05 -0.08 0.00 -0.00 0.00 0.00 57.88 57.85 1quw h LEU 96 Cb 1.05 0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.82 1quw h LEU 96 CO 0.10 -0.09 -0.11 -0.33 -0.00 0.00 0.00 178.44 178.01 1quw h GLU 97 N -0.06 0.64 -0.22 1.13 5.08 -0.56 0.39 114.58 120.99 1quw h GLU 97 Ca 0.07 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1quw h GLU 97 Cb 0.16 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1quw h GLU 97 CO -0.16 0.83 0.11 0.00 -1.00 0.00 0.00 179.01 178.79 1quw h ALA 98 N 0.79 0.26 -0.33 3.43 0.00 -1.51 0.61 119.26 122.50 1quw h ALA 98 Ca 0.08 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1quw h ALA 98 Cb 0.61 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1quw h ALA 98 CO 0.04 -0.30 0.18 0.37 0.00 0.00 0.00 179.25 179.54 1quw h GLN 99 N 0.23 0.46 0.20 0.00 5.75 -1.19 -3.24 115.11 117.32 1quw h GLN 99 Ca 0.09 -0.05 -0.32 0.00 -0.15 0.00 0.00 58.65 58.21 1quw h GLN 99 Cb 0.02 -0.09 0.03 0.00 1.07 0.00 0.00 27.48 28.51 1quw h GLN 99 CO -0.06 0.39 -1.38 -0.07 -2.65 0.00 0.00 178.83 175.05 1quw h LEU 100 N 0.41 0.82 -1.23 -2.39 -0.00 -0.07 -3.29 115.31 109.56 1quw h LEU 100 Ca 0.12 -0.83 0.10 0.00 -0.00 0.00 0.00 57.88 57.26 1quw h LEU 100 Cb 0.06 -0.26 -0.06 0.00 -0.00 0.00 0.00 40.66 40.39 1quw h LEU 100 CO -0.02 1.64 0.57 0.00 -0.00 0.00 0.00 178.44 180.63 1quw h ALA 101 N 0.24 1.67 -0.37 1.53 0.00 -0.96 0.52 119.26 121.90 1quw h ALA 101 Ca -0.22 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1quw h ALA 101 Cb 2.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 1quw h ALA 101 CO 0.26 0.14 0.22 0.22 0.00 0.00 0.00 179.25 180.09 1quw h ASP 102 N 0.84 0.44 1.00 0.00 1.82 -1.62 -3.21 116.42 115.69 1quw h ASP 102 Ca 0.41 -0.06 -0.15 0.00 -0.39 0.00 0.00 57.03 56.84 1quw h ASP 102 Cb 0.44 -0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.32 1quw h ASP 102 CO -0.17 0.37 -1.07 -0.37 -1.61 0.00 0.00 179.24 176.39 1quw h VAL 103 N 0.48 0.74 0.00 2.25 -1.51 -1.47 -3.34 116.25 113.39 1quw h VAL 103 Ca 0.13 -2.21 0.00 0.00 -1.23 0.00 0.00 66.70 63.39 1quw h VAL 103 Cb 0.01 2.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.42 1quw h VAL 103 CO -0.02 0.42 0.00 -0.07 -1.23 0.00 0.00 177.57 176.67 1quw h LEU 104 N 0.00 0.00 0.00 4.19 3.38 -0.92 -3.47 115.31 118.49 1quw h LEU 104 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1quw h LEU 104 Cb 1.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.29 1quw h LEU 104 CO 0.06 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.59