#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 1.78 0.54 0.00 -4.23 -1.26 -4.79 115.64 107.67 1quw s THR 2 Ca 0.00 -1.72 -0.05 0.00 -1.18 0.00 0.00 61.69 58.75 1quw s THR 2 Cb 0.00 -1.70 -0.00 0.00 1.34 0.00 0.00 72.50 72.14 1quw s THR 2 CO 0.00 -0.17 0.84 -0.32 -0.54 0.00 0.00 174.62 174.43 1quw s MET 3 N -2.31 3.09 -0.10 3.99 -2.45 -0.47 -4.98 119.30 116.07 1quw s MET 3 Ca 0.11 -0.03 -0.01 0.00 -1.25 0.00 0.00 55.69 54.50 1quw s MET 3 Cb -0.08 -2.34 0.03 0.00 1.25 0.00 0.00 34.83 33.69 1quw s MET 3 CO 0.05 -0.52 -0.03 0.99 1.05 0.00 0.00 175.02 176.57 1quw s THR 4 N -2.86 0.66 0.46 10.11 2.01 -1.26 -1.17 115.64 123.59 1quw s THR 4 Ca 0.51 -0.12 0.08 0.00 0.31 0.00 0.00 61.69 62.48 1quw s THR 4 Cb -0.10 -0.79 0.02 0.00 0.01 0.00 0.00 72.50 71.63 1quw s THR 4 CO 0.44 0.25 0.57 -0.76 -0.69 0.00 0.00 174.62 174.43 1quw s LEU 5 N 1.85 3.40 0.10 4.42 1.02 0.32 -4.85 118.68 124.93 1quw s LEU 5 Ca 0.04 -0.66 -0.17 0.00 0.02 0.00 0.00 54.13 53.36 1quw s LEU 5 Cb -0.13 -2.17 0.04 0.00 0.02 0.00 0.00 46.19 43.95 1quw s LEU 5 CO -0.07 -0.90 0.42 0.28 0.02 0.00 0.00 176.35 176.11 1quw s THR 6 N -2.48 0.06 0.24 5.49 -1.32 -1.26 -4.40 115.64 111.96 1quw s THR 6 Ca 0.53 -0.48 0.03 0.00 -1.21 0.00 0.00 61.69 60.56 1quw s THR 6 Cb -0.07 -1.09 0.31 0.00 -1.51 0.00 0.00 72.50 70.14 1quw s THR 6 CO 0.32 -0.27 1.17 -0.90 -2.21 0.00 0.00 174.62 172.74 1quw n ASP 7 N 0.01 -0.05 -0.06 8.08 5.75 -1.26 0.15 116.55 129.17 1quw n ASP 7 Ca -0.17 1.26 -0.09 0.00 -0.01 0.00 0.00 54.79 55.79 1quw n ASP 7 Cb 0.62 -0.48 -0.08 0.00 -1.03 0.00 0.00 41.12 40.16 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 1.49 -0.01 0.00 2.12 0.00 -2.01 -3.24 119.26 117.60 1quw h ALA 8 Ca 0.47 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1quw h ALA 8 Cb 1.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1quw h ALA 8 CO -0.69 -0.02 -0.34 -0.97 0.00 0.00 0.00 179.25 177.24 1quw h ASN 9 N -0.99 0.00 -0.36 0.00 -1.24 -1.68 -3.03 115.58 108.28 1quw h ASN 9 Ca -0.00 0.00 0.08 0.00 0.71 0.00 0.00 56.30 57.09 1quw h ASN 9 Cb 0.60 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 39.57 1quw h ASN 9 CO 0.00 0.34 -0.17 0.15 -1.29 0.00 0.00 177.43 176.47 1quw h PHE 10 N 0.00 -0.41 -0.26 0.67 3.57 0.13 0.46 116.94 121.11 1quw h PHE 10 Ca -0.00 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.43 1quw h PHE 10 Cb 0.66 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 1quw h PHE 10 CO 0.00 -0.24 -0.27 1.96 -2.23 0.00 0.00 178.31 177.53 1quw h GLN 11 N -0.10 0.50 -0.00 1.11 1.08 -1.56 -2.24 115.11 113.90 1quw h GLN 11 Ca 0.18 -0.20 -0.14 0.00 -1.45 0.00 0.00 58.65 57.04 1quw h GLN 11 Cb 0.38 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.76 1quw h GLN 11 CO -0.43 0.73 -0.67 0.37 -0.95 0.00 0.00 178.83 177.88 1quw h GLN 12 N 0.44 0.02 -0.15 1.46 4.15 -1.42 -3.08 115.11 116.52 1quw h GLN 12 Ca 0.06 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 1quw h GLN 12 Cb 0.70 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.39 1quw h GLN 12 CO 0.05 0.68 -0.03 0.00 -1.93 0.00 0.00 178.83 177.60 1quw h ALA 13 N 1.32 0.21 0.00 3.38 0.00 0.47 -3.26 119.26 121.37 1quw h ALA 13 Ca -0.01 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 1quw h ALA 13 Cb 1.18 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1quw h ALA 13 CO 0.09 -0.04 -0.70 -0.84 0.00 0.00 0.00 179.25 177.76 1quw h ILE 14 N -0.00 1.33 0.00 0.00 3.07 -1.51 -3.21 117.51 117.19 1quw h ILE 14 Ca 0.04 -2.54 0.00 0.00 1.55 0.00 0.00 64.86 63.91 1quw h ILE 14 Cb 0.45 2.43 0.00 0.00 -0.27 0.00 0.00 36.82 39.43 1quw h ILE 14 CO 0.01 0.68 0.00 0.00 -1.05 0.00 0.00 178.15 177.80 1quw n GLN 15 N -3.46 0.19 0.00 0.16 1.13 -1.16 -0.65 117.38 113.59 1quw n GLN 15 Ca 0.00 0.37 0.00 0.00 -1.94 0.00 0.00 57.00 55.43 1quw n GLN 15 Cb 0.75 -1.83 0.00 0.00 0.11 0.00 0.00 30.24 29.27 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 0.27 -2.38 1.62 1.08 0.00 -1.21 -4.59 105.19 99.97 1quw n GLY 16 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.17 -2.40 -4.77 1.61 2.03 -1.26 -4.93 116.55 106.66 1quw n ASP 17 Ca 0.00 0.61 -0.40 0.00 0.52 0.00 0.00 54.79 55.52 1quw n ASP 17 Cb 0.00 2.41 -0.01 0.00 -0.72 0.00 0.00 41.12 42.80 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 4.07 -0.19 -0.67 2.20 -1.26 -4.38 119.74 117.51 1quw s LYS 18 Ca 0.00 2.15 -0.42 0.00 -0.36 0.00 0.00 55.97 57.34 1quw s LYS 18 Cb 0.00 -2.83 -0.19 0.00 -1.51 0.00 0.00 37.83 33.30 1quw s LYS 18 CO 0.00 -0.41 1.34 -2.30 -0.36 0.00 0.00 175.35 173.62 1quw n PRO 19 N 0.29 0.20 -4.03 4.03 -0.02 -1.26 -4.79 135.00 129.41 1quw n PRO 19 Ca 0.03 0.07 -0.31 0.00 -2.02 0.00 0.00 63.50 61.27 1quw n PRO 19 Cb 0.43 -1.60 -0.16 0.00 -0.02 0.00 0.00 33.50 32.15 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 1.39 1.78 -0.41 -1.45 1.01 0.82 -3.41 120.40 120.13 1quw s VAL 20 Ca 0.96 -1.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.68 1quw s VAL 20 Cb -1.31 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 33.31 1quw s VAL 20 CO 0.66 0.26 0.84 -0.22 0.00 0.00 0.00 175.10 176.64 1quw s LEU 21 N 1.35 4.10 -0.14 3.92 0.20 0.14 -1.19 118.68 127.07 1quw s LEU 21 Ca 0.00 0.22 -0.21 0.00 0.69 0.00 0.00 54.13 54.83 1quw s LEU 21 Cb -0.15 -3.09 -0.03 0.00 -0.43 0.00 0.00 46.19 42.48 1quw s LEU 21 CO -0.09 -0.88 0.63 -0.69 -0.29 0.00 0.00 176.35 175.03 1quw s VAL 22 N 3.38 5.06 -0.44 1.68 1.01 0.01 -0.60 120.40 130.50 1quw s VAL 22 Ca 0.34 1.25 -0.15 0.00 0.00 0.00 0.00 61.98 63.41 1quw s VAL 22 Cb -0.12 -3.96 0.05 0.00 0.00 0.00 0.00 36.38 32.35 1quw s VAL 22 CO 0.21 0.20 0.34 -1.81 0.00 0.00 0.00 175.10 174.04 1quw s ASP 23 N 0.95 6.09 -0.14 3.32 1.11 -0.10 -1.80 116.67 126.09 1quw s ASP 23 Ca 0.32 -1.15 -0.24 0.00 0.18 0.00 0.00 52.55 51.66 1quw s ASP 23 Cb -0.16 -2.16 -0.02 0.00 1.07 0.00 0.00 42.92 41.65 1quw s ASP 23 CO 0.13 -0.55 0.78 -0.36 1.18 0.00 0.00 175.17 176.35 1quw s PHE 24 N 1.64 3.47 0.24 4.23 0.08 0.52 -2.57 117.98 125.59 1quw s PHE 24 Ca 0.04 1.23 -0.11 0.00 0.12 0.00 0.00 56.93 58.22 1quw s PHE 24 Cb -0.22 -2.93 -0.01 0.00 -0.57 0.00 0.00 43.02 39.29 1quw s PHE 24 CO 0.08 -0.13 0.42 1.67 -0.10 0.00 0.00 175.22 177.16 1quw s TRP 25 N 1.70 0.50 0.12 0.36 1.48 -1.14 -1.67 118.94 120.28 1quw s TRP 25 Ca 0.37 -0.84 0.05 0.00 -1.06 0.00 0.00 56.10 54.62 1quw s TRP 25 Cb -0.17 0.06 -0.04 0.00 -1.16 0.00 0.00 33.47 32.16 1quw s TRP 25 CO 0.14 -0.93 -0.12 0.00 -4.06 0.00 0.00 176.95 171.98 1quw s ALA 26 N -4.04 1.35 0.30 2.67 0.00 -1.26 -1.71 121.76 119.07 1quw s ALA 26 Ca 0.25 -1.29 0.11 0.00 0.00 0.00 0.00 51.96 51.03 1quw s ALA 26 Cb 0.01 -0.02 0.47 0.00 0.00 0.00 0.00 23.12 23.58 1quw s ALA 26 CO 0.10 0.01 1.68 0.00 0.00 0.00 0.00 175.76 177.55 1quw h ALA 27 N 3.40 1.11 -0.00 0.00 0.00 -2.00 -2.36 119.26 119.41 1quw h ALA 27 Ca -0.38 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1quw h ALA 27 Cb 1.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1quw h ALA 27 CO 0.54 0.66 -0.11 -2.67 0.00 0.00 0.00 179.25 177.67 1quw n TRP 28 N -3.91 0.00 -2.21 0.00 4.27 -1.26 -4.91 117.44 109.42 1quw n TRP 28 Ca -0.01 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.20 1quw n TRP 28 Cb 0.54 -0.43 -0.02 0.00 -1.36 0.00 0.00 31.31 30.04 1quw n TRP 28 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1quw h GLY 30 N 3.24 0.00 1.50 0.00 0.00 -1.91 -3.40 103.07 102.52 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 0.65 0.00 0.00 -1.55 0.00 0.00 0.00 176.54 175.64 1quw n PRO 31 N -4.61 0.32 0.21 4.80 -0.04 -1.26 -2.13 135.00 132.29 1quw n PRO 31 Ca -0.05 0.09 0.08 0.00 -0.04 0.00 0.00 63.50 63.58 1quw n PRO 31 Cb 0.19 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.59 1quw n PRO 31 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1quw h ARG 33 N 0.00 0.00 0.00 0.00 -0.00 -1.66 -2.59 114.38 110.13 1quw h ARG 33 Ca -0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 59.41 1quw h ARG 33 Cb 0.76 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.72 1quw h ARG 33 CO 0.04 0.31 -0.32 0.52 0.00 0.00 0.00 179.97 180.52 1quw h MET 34 N 0.00 0.00 0.00 0.04 2.86 -1.66 -2.39 114.93 113.79 1quw h MET 34 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1quw h MET 34 Cb 0.74 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1quw h MET 34 CO 0.04 0.32 0.00 0.52 1.06 0.00 0.00 176.91 178.85 1quw h MET 35 N 0.00 0.00 -0.34 1.72 2.86 -1.53 -3.36 114.93 114.28 1quw h MET 35 Ca -0.00 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 1quw h MET 35 Cb 0.59 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.16 1quw h MET 35 CO 0.04 0.00 -0.28 0.00 1.06 0.00 0.00 176.91 177.73 1quw h ALA 36 N 2.30 -0.13 -0.21 6.32 0.00 -1.37 -1.44 119.26 124.74 1quw h ALA 36 Ca 0.00 0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1quw h ALA 36 Cb 0.74 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1quw h ALA 36 CO 0.00 -0.68 -0.51 -1.00 0.00 0.00 0.00 179.25 177.06 1quw h PRO 37 N -0.24 0.59 -0.37 0.00 0.13 -1.77 -2.54 132.00 127.81 1quw h PRO 37 Ca 0.16 -0.35 -0.10 0.00 -0.87 0.00 0.00 66.00 64.84 1quw h PRO 37 Cb 0.50 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 1quw h PRO 37 CO -0.47 0.96 -0.16 -0.24 -0.23 0.00 0.00 178.00 177.85 1quw h VAL 38 N 0.46 1.26 -0.00 1.56 3.04 -1.70 -1.09 116.25 119.78 1quw h VAL 38 Ca 0.02 -1.21 -0.15 0.00 -1.01 0.00 0.00 66.70 64.35 1quw h VAL 38 Cb 1.05 1.16 -0.02 0.00 -2.01 0.00 0.00 31.29 31.47 1quw h VAL 38 CO 0.10 0.40 -0.71 -0.07 -1.01 0.00 0.00 177.57 176.28 1quw h LEU 39 N 0.61 0.02 -0.54 3.16 3.38 -1.21 0.23 115.31 120.96 1quw h LEU 39 Ca 0.10 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1quw h LEU 39 Cb 0.62 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1quw h LEU 39 CO 0.04 0.73 -0.35 -0.33 0.09 0.00 0.00 178.44 178.62 1quw h GLU 40 N 0.01 0.80 -0.02 1.13 4.39 -1.26 -0.56 114.58 119.07 1quw h GLU 40 Ca -0.01 -0.39 -0.07 0.00 0.34 0.00 0.00 59.36 59.23 1quw h GLU 40 Cb 1.26 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 1quw h GLU 40 CO 0.09 1.02 -0.32 0.93 -1.16 0.00 0.00 179.01 179.57 1quw h GLU 41 N 0.66 0.03 0.21 2.33 5.08 -0.85 -3.18 114.58 118.86 1quw h GLU 41 Ca 0.07 -0.01 -0.31 0.00 -1.00 0.00 0.00 59.36 58.10 1quw h GLU 41 Cb 0.90 -0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.18 1quw h GLU 41 CO 0.08 0.36 -1.35 0.35 -1.00 0.00 0.00 179.01 177.45 1quw h PHE 42 N 0.03 0.96 -0.21 4.33 3.57 -0.21 -2.49 116.94 122.92 1quw h PHE 42 Ca 0.00 -0.67 -0.05 0.00 3.53 0.00 0.00 57.97 60.78 1quw h PHE 42 Cb 0.59 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1quw h PHE 42 CO 0.00 1.52 -0.10 0.00 -2.23 0.00 0.00 178.31 177.50 1quw h ALA 43 N 0.18 1.44 0.00 2.41 0.00 -1.15 -1.25 119.26 120.89 1quw h ALA 43 Ca -0.23 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1quw h ALA 43 Cb 2.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1quw h ALA 43 CO 0.25 0.39 -0.30 0.39 0.00 0.00 0.00 179.25 179.98 1quw n GLU 44 N -4.27 0.04 0.12 0.00 4.71 -1.20 -1.74 120.64 118.29 1quw n GLU 44 Ca -0.00 0.02 -0.10 0.00 -0.01 0.00 0.00 57.16 57.07 1quw n GLU 44 Cb 0.27 -1.53 -0.06 0.00 -1.01 0.00 0.00 31.44 29.11 1quw n GLU 44 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1quw h ALA 45 N 2.94 -0.37 0.00 0.62 0.00 -0.75 -3.41 119.26 118.28 1quw h ALA 45 Ca 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1quw h ALA 45 Cb 0.53 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1quw h ALA 45 CO 0.00 -0.40 -0.62 0.72 0.00 0.00 0.00 179.25 178.94 1quw n HIS 46 N -5.03 0.94 0.00 0.00 8.25 -1.03 -4.92 115.22 113.43 1quw n HIS 46 Ca -0.07 0.41 0.00 0.00 -0.26 0.00 0.00 57.72 57.80 1quw n HIS 46 Cb 0.24 -0.82 0.00 0.00 1.12 0.00 0.00 29.99 30.53 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 -3.61 0.00 0.59 -1.41 0.00 -0.71 -4.16 120.51 111.20 1quw n ALA 47 Ca -0.11 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.30 1quw n ALA 47 Cb 0.32 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.82 1quw n ALA 47 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1quw n ASP 48 N 2.21 2.89 0.00 0.00 5.75 -1.26 -3.94 116.55 122.20 1quw n ASP 48 Ca 0.00 -2.28 0.00 0.00 -0.01 0.00 0.00 54.79 52.50 1quw n ASP 48 Cb 0.00 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.53 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 0.17 0.00 -5.01 0.11 3.00 -1.26 -5.10 118.16 110.07 1quw n LYS 49 Ca 0.10 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.09 1quw n LYS 49 Cb 0.66 -0.34 -0.14 0.00 0.00 0.00 0.00 35.03 35.21 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 -1.07 2.75 -0.42 3.15 0.11 -1.25 -4.58 120.40 119.09 1quw s VAL 50 Ca 0.00 -0.84 -0.11 0.00 -2.93 0.00 0.00 61.98 58.10 1quw s VAL 50 Cb 0.00 -2.05 0.06 0.00 -1.53 0.00 0.00 36.38 32.86 1quw s VAL 50 CO 0.00 0.58 0.27 -0.89 -3.33 0.00 0.00 175.10 171.73 1quw s THR 51 N -0.63 4.50 -0.74 5.04 2.01 -1.22 -4.54 115.64 120.06 1quw s THR 51 Ca 0.09 -1.19 -0.21 0.00 0.31 0.00 0.00 61.69 60.70 1quw s THR 51 Cb -0.11 -3.67 0.09 0.00 0.01 0.00 0.00 72.50 68.82 1quw s THR 51 CO 0.00 -0.44 0.99 -0.69 -0.69 0.00 0.00 174.62 173.79 1quw s VAL 52 N 1.50 4.51 0.50 3.82 1.01 -1.26 -0.68 120.40 129.80 1quw s VAL 52 Ca 0.03 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.23 1quw s VAL 52 Cb -0.22 -4.70 0.05 0.00 0.00 0.00 0.00 36.38 31.51 1quw s VAL 52 CO 0.04 -1.44 0.45 0.00 0.00 0.00 0.00 175.10 174.15 1quw n ALA 53 N 7.19 0.84 -3.61 5.51 0.00 0.23 -1.37 120.51 129.31 1quw n ALA 53 Ca 0.05 -1.97 -0.24 0.00 0.00 0.00 0.00 53.44 51.28 1quw n ALA 53 Cb 0.46 0.75 -0.17 0.00 0.00 0.00 0.00 19.45 20.50 1quw n ALA 53 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1quw s LYS 54 N -4.11 0.06 -0.22 0.00 -0.14 -0.31 -0.93 119.74 114.09 1quw s LYS 54 Ca 0.34 0.01 -0.05 0.00 -1.36 0.00 0.00 55.97 54.90 1quw s LYS 54 Cb -0.03 -1.61 -0.02 0.00 -1.68 0.00 0.00 37.83 34.49 1quw s LYS 54 CO 0.22 -0.63 0.00 -1.17 -0.76 0.00 0.00 175.35 173.01 1quw s LEU 55 N 2.16 3.16 -0.34 3.17 1.98 -1.06 -0.53 118.68 127.22 1quw s LEU 55 Ca 0.03 -0.28 -0.26 0.00 -2.89 0.00 0.00 54.13 50.73 1quw s LEU 55 Cb -0.16 -1.82 0.01 0.00 0.66 0.00 0.00 46.19 44.89 1quw s LEU 55 CO -0.09 0.00 0.91 0.21 -1.89 0.00 0.00 176.35 175.49 1quw s ASN 56 N 1.38 6.71 0.47 3.68 3.84 -1.26 -2.88 114.94 126.88 1quw s ASN 56 Ca 0.05 0.67 0.30 0.00 0.21 0.00 0.00 52.86 54.08 1quw s ASN 56 Cb -0.15 -2.46 1.12 0.00 -0.55 0.00 0.00 41.25 39.22 1quw s ASN 56 CO 0.00 -0.80 1.87 -0.37 -2.79 0.00 0.00 177.10 175.02 1quw h VAL 57 N 5.75 0.00 -0.01 -5.21 -1.51 -1.54 0.20 116.25 113.93 1quw h VAL 57 Ca -0.23 -0.54 -0.13 0.00 -1.23 0.00 0.00 66.70 64.57 1quw h VAL 57 Cb 1.08 1.49 0.01 0.00 -2.13 0.00 0.00 31.29 31.75 1quw h VAL 57 CO 0.96 0.00 -0.51 -0.78 -1.23 0.00 0.00 177.57 176.01 1quw h ASP 58 N 0.00 0.47 -0.05 4.19 3.58 -1.91 -3.33 116.42 119.37 1quw h ASP 58 Ca 0.00 -0.75 -0.24 0.00 0.42 0.00 0.00 57.03 56.46 1quw h ASP 58 Cb 0.57 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 41.49 1quw h ASP 58 CO 0.00 1.16 -0.87 -0.08 -2.88 0.00 0.00 179.24 176.57 1quw h GLU 59 N -0.18 0.72 -4.10 0.28 4.81 -1.90 -3.41 114.58 110.80 1quw h GLU 59 Ca -0.06 -0.65 -0.68 0.00 -0.13 0.00 0.00 59.36 57.84 1quw h GLU 59 Cb 1.23 0.16 -0.37 0.00 0.63 0.00 0.00 28.75 30.39 1quw h GLU 59 CO 0.10 1.25 -0.56 -0.80 -0.73 0.00 0.00 179.01 178.27 1quw s ASN 60 N -7.16 4.94 0.00 1.04 0.01 0.69 -4.94 114.94 109.52 1quw s ASN 60 Ca -0.10 -2.46 0.22 0.00 -0.71 0.00 0.00 52.86 49.82 1quw s ASN 60 Cb 0.08 -1.75 0.64 0.00 0.41 0.00 0.00 41.25 40.63 1quw s ASN 60 CO 0.90 -0.40 1.50 -0.81 -1.51 0.00 0.00 177.10 176.78 1quw n PRO 61 N 3.95 2.00 0.09 -0.60 -0.04 -1.25 -4.34 135.00 134.80 1quw n PRO 61 Ca 0.03 -1.49 -0.24 0.00 -0.04 0.00 0.00 63.50 61.77 1quw n PRO 61 Cb 0.39 -1.44 -0.15 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 3.08 0.43 0.00 0.54 -0.00 -1.92 -3.25 114.58 113.47 1quw h GLU 62 Ca 0.00 -0.74 -0.18 0.00 -0.00 0.00 0.00 59.36 58.44 1quw h GLU 62 Cb 0.67 0.28 -0.03 0.00 -0.00 0.00 0.00 28.75 29.67 1quw h GLU 62 CO 0.00 1.36 -0.85 0.00 -0.00 0.00 0.00 179.01 179.51 1quw h THR 63 N 0.12 1.49 -0.30 -1.06 1.03 -1.97 -2.38 112.91 109.85 1quw h THR 63 Ca -0.33 -3.05 -0.09 0.00 -0.01 0.00 0.00 66.41 62.94 1quw h THR 63 Cb 2.12 2.70 -0.01 0.00 -1.07 0.00 0.00 68.15 71.88 1quw h THR 63 CO 0.20 0.84 -0.20 0.00 -0.01 0.00 0.00 175.52 176.35 1quw h THR 64 N 0.00 1.25 0.00 0.00 1.03 -1.78 -1.96 112.91 111.45 1quw h THR 64 Ca -0.01 -1.19 -0.18 0.00 -0.01 0.00 0.00 66.41 65.02 1quw h THR 64 Cb 1.63 1.24 -0.03 0.00 -1.07 0.00 0.00 68.15 69.93 1quw h THR 64 CO 0.11 0.39 -0.88 -1.28 -0.01 0.00 0.00 175.52 173.85 1quw h SER 65 N 0.49 0.00 -0.08 0.00 0.87 -1.58 -1.57 113.55 111.68 1quw h SER 65 Ca 0.08 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1quw h SER 65 Cb 0.61 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1quw h SER 65 CO 0.04 0.88 0.01 -0.61 -0.53 0.00 0.00 176.83 176.62 1quw h GLN 66 N 0.00 0.13 0.17 2.24 4.15 -1.13 -3.27 115.11 117.40 1quw h GLN 66 Ca -0.01 -0.03 -0.30 0.00 0.77 0.00 0.00 58.65 59.08 1quw h GLN 66 Cb 1.63 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 29.32 1quw h GLN 66 CO 0.11 0.34 -1.35 0.74 -1.93 0.00 0.00 178.83 176.75 1quw h PHE 67 N -0.11 0.65 -1.56 3.99 0.04 -1.47 -3.49 116.94 114.99 1quw h PHE 67 Ca 0.02 -0.47 0.00 0.00 2.80 0.00 0.00 57.97 60.32 1quw h PHE 67 Cb 0.28 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.40 1quw h PHE 67 CO 0.01 1.38 0.00 0.41 -0.60 0.00 0.00 178.31 179.52 1quw n GLY 68 N 1.60 0.06 3.67 -1.45 0.00 -0.61 -5.00 105.19 103.45 1quw n GLY 68 Ca -0.12 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.08 4.53 0.06 -0.61 -1.09 -1.07 -4.92 121.20 117.02 1quw s ILE 69 Ca 0.00 1.84 -0.25 0.00 -2.23 0.00 0.00 60.65 60.01 1quw s ILE 69 Cb 0.00 -4.19 -0.17 0.00 -1.58 0.00 0.00 42.46 36.53 1quw s ILE 69 CO 0.00 -0.13 1.59 0.24 -1.23 0.00 0.00 174.94 175.41 1quw h MET 70 N 7.65 -0.14 -1.35 2.79 2.86 -1.94 -3.46 114.93 121.35 1quw h MET 70 Ca -0.24 0.01 0.14 0.00 -2.06 0.00 0.00 59.70 57.55 1quw h MET 70 Cb 1.09 0.03 -0.27 0.00 0.06 0.00 0.00 31.60 32.52 1quw h MET 70 CO 0.95 0.01 0.38 0.45 1.06 0.00 0.00 176.91 179.77 1quw s SER 71 N -5.18 -0.48 0.41 1.22 0.15 -1.26 -5.15 113.70 103.41 1quw s SER 71 Ca -0.14 0.74 -0.24 0.00 0.70 0.00 0.00 55.95 57.00 1quw s SER 71 Cb 0.05 1.30 -0.08 0.00 -1.71 0.00 0.00 66.02 65.57 1quw s SER 71 CO 0.65 -0.11 1.10 0.27 1.20 0.00 0.00 173.24 176.34 1quw s ILE 72 N 1.59 3.47 0.26 6.45 -5.25 -1.26 -3.74 121.20 122.73 1quw s ILE 72 Ca -0.07 1.15 -0.29 0.00 -0.99 0.00 0.00 60.65 60.45 1quw s ILE 72 Cb -0.04 -3.60 -0.09 0.00 2.95 0.00 0.00 42.46 41.67 1quw s ILE 72 CO -0.15 0.03 0.93 -2.16 -1.79 0.00 0.00 174.94 171.80 1quw s PRO 73 N -2.47 4.76 -0.12 0.37 0.04 -1.26 -4.82 135.00 131.50 1quw s PRO 73 Ca 0.59 1.42 0.01 0.00 0.04 0.00 0.00 61.00 63.06 1quw s PRO 73 Cb -0.25 -3.13 0.02 0.00 0.04 0.00 0.00 34.50 31.17 1quw s PRO 73 CO 0.32 0.45 -0.16 0.99 0.04 0.00 0.00 177.00 178.63 1quw s THR 74 N -1.32 1.59 -0.19 1.26 2.01 -0.67 -1.99 115.64 116.34 1quw s THR 74 Ca 0.44 -0.69 -0.06 0.00 0.31 0.00 0.00 61.69 61.69 1quw s THR 74 Cb -0.24 -1.46 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 1quw s THR 74 CO 0.29 0.46 0.02 -0.76 -0.69 0.00 0.00 174.62 173.94 1quw s LEU 75 N 1.09 3.45 -0.05 4.42 1.43 -0.83 -0.35 118.68 127.83 1quw s LEU 75 Ca -0.04 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1quw s LEU 75 Cb -0.14 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.23 1quw s LEU 75 CO -0.04 0.12 -0.05 -0.63 0.23 0.00 0.00 176.35 175.97 1quw s ILE 76 N 0.69 0.60 -0.22 -0.59 1.01 -0.75 -2.78 121.20 119.16 1quw s ILE 76 Ca 0.01 -0.16 -0.14 0.00 0.00 0.00 0.00 60.65 60.36 1quw s ILE 76 Cb -0.14 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 1quw s ILE 76 CO 0.02 0.24 0.31 -0.22 0.00 0.00 0.00 174.94 175.29 1quw s LEU 77 N 0.86 4.13 -0.10 2.97 1.98 -1.17 -0.81 118.68 126.54 1quw s LEU 77 Ca -0.12 0.34 0.00 0.00 -2.89 0.00 0.00 54.13 51.47 1quw s LEU 77 Cb -0.15 -2.36 -0.03 0.00 0.66 0.00 0.00 46.19 44.32 1quw s LEU 77 CO 0.01 -0.04 -0.08 -0.36 -1.89 0.00 0.00 176.35 173.98 1quw s PHE 78 N 1.31 2.90 0.00 5.38 0.40 -0.33 -0.52 117.98 127.12 1quw s PHE 78 Ca 0.14 -0.20 0.00 0.00 -0.60 0.00 0.00 56.93 56.27 1quw s PHE 78 Cb -0.14 -1.78 0.00 0.00 0.51 0.00 0.00 43.02 41.61 1quw s PHE 78 CO 0.07 0.12 0.00 1.17 0.70 0.00 0.00 175.22 177.28 1quw n LYS 79 N 2.78 0.00 -2.33 0.44 0.00 -1.09 -0.13 118.16 117.83 1quw n LYS 79 Ca -0.18 0.05 -0.32 0.00 0.00 0.00 0.00 58.31 57.87 1quw n LYS 79 Cb 0.53 -0.33 0.01 0.00 0.00 0.00 0.00 35.03 35.24 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 2.15 5.83 1.45 3.14 0.00 -1.26 -4.21 105.19 112.30 1quw n GLY 80 Ca 0.00 -2.67 -0.01 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 -0.47 0.67 3.54 -0.02 0.00 0.18 -4.63 105.19 104.45 1quw n GLY 81 Ca 0.44 -0.55 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 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 -4.69 0.53 -0.18 1.61 3.00 -1.26 -4.94 118.95 113.01 1quw s ARG 82 Ca 0.02 1.34 -0.29 0.00 -1.00 0.00 0.00 55.73 55.80 1quw s ARG 82 Cb -0.01 0.74 -0.01 0.00 0.00 0.00 0.00 34.95 35.67 1quw s ARG 82 CO 0.05 -0.24 1.24 -1.25 0.00 0.00 0.00 175.30 175.10 1quw s PRO 83 N 2.84 4.21 0.01 5.12 0.04 -1.26 -2.67 135.00 143.28 1quw s PRO 83 Ca -0.03 1.60 -0.18 0.00 0.04 0.00 0.00 61.00 62.42 1quw s PRO 83 Cb -0.12 -3.76 -0.34 0.00 0.04 0.00 0.00 34.50 30.32 1quw s PRO 83 CO -0.18 -0.73 0.97 -0.39 0.04 0.00 0.00 177.00 176.72 1quw h VAL 84 N 5.52 1.36 -3.88 -0.36 -1.51 -1.19 -3.48 116.25 112.73 1quw h VAL 84 Ca -0.25 -2.61 -0.12 0.00 -1.23 0.00 0.00 66.70 62.48 1quw h VAL 84 Cb 1.10 3.07 -0.17 0.00 -2.13 0.00 0.00 31.29 33.15 1quw h VAL 84 CO 0.98 0.77 -0.54 -0.54 -1.23 0.00 0.00 177.57 177.01 1quw s LYS 85 N -2.58 0.60 -0.19 5.19 1.02 -1.26 -5.03 119.74 117.50 1quw s LYS 85 Ca -0.11 -0.84 -0.05 0.00 0.02 0.00 0.00 55.97 55.00 1quw s LYS 85 Cb 0.03 0.23 0.07 0.00 -0.52 0.00 0.00 37.83 37.64 1quw s LYS 85 CO 0.91 -0.15 0.10 -1.14 -0.92 0.00 0.00 175.35 174.15 1quw s GLN 86 N -2.87 0.09 0.16 1.68 0.74 -1.26 -3.01 119.66 115.17 1quw s GLN 86 Ca -0.03 -0.13 0.10 0.00 0.05 0.00 0.00 55.36 55.35 1quw s GLN 86 Cb 0.00 -1.69 -0.04 0.00 1.10 0.00 0.00 33.01 32.38 1quw s GLN 86 CO -0.06 -0.72 -0.22 -0.48 -0.55 0.00 0.00 175.29 173.26 1quw s LEU 87 N 2.14 2.39 0.19 3.68 2.34 -1.12 -5.02 118.68 123.28 1quw s LEU 87 Ca 0.03 -0.81 0.00 0.00 0.06 0.00 0.00 54.13 53.42 1quw s LEU 87 Cb -0.16 -1.00 -0.04 0.00 -0.56 0.00 0.00 46.19 44.42 1quw s LEU 87 CO -0.14 0.07 0.06 0.27 -1.06 0.00 0.00 176.35 175.55 1quw s ILE 88 N -1.59 0.38 0.00 1.48 -0.00 -1.26 -1.97 121.20 118.24 1quw s ILE 88 Ca 0.15 -1.97 0.00 0.00 -0.00 0.00 0.00 60.65 58.83 1quw s ILE 88 Cb -0.08 -2.31 0.00 0.00 -0.00 0.00 0.00 42.46 40.08 1quw s ILE 88 CO 0.07 -0.26 0.00 0.61 -0.00 0.00 0.00 174.94 175.36 1quw n GLY 89 N -0.27 -0.33 3.68 6.27 0.00 -0.84 -4.82 105.19 108.88 1quw n GLY 89 Ca -0.03 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.46 2.97 -0.20 1.61 5.04 -1.26 -4.83 117.35 119.22 1quw s TYR 90 Ca 0.00 1.02 0.00 0.00 -2.44 0.00 0.00 57.07 55.65 1quw s TYR 90 Cb 0.00 -3.52 0.05 0.00 0.35 0.00 0.00 41.96 38.84 1quw s TYR 90 CO 0.00 -1.79 -0.05 1.14 -1.34 0.00 0.00 175.55 173.51 1quw s GLN 91 N 2.66 1.54 1.34 4.97 -2.07 -1.26 -5.11 119.66 121.73 1quw s GLN 91 Ca 0.58 -0.76 -0.19 0.00 -1.82 0.00 0.00 55.36 53.17 1quw s GLN 91 Cb -0.26 -2.33 0.34 0.00 -1.09 0.00 0.00 33.01 29.68 1quw s GLN 91 CO 0.21 -0.52 0.96 -2.14 -1.32 0.00 0.00 175.29 172.49 1quw s PRO 92 N 1.52 -2.28 0.53 9.60 0.02 -1.26 -4.46 135.00 138.67 1quw s PRO 92 Ca -0.02 0.35 0.18 0.00 0.02 0.00 0.00 61.00 61.52 1quw s PRO 92 Cb -0.17 -1.43 1.35 0.00 0.02 0.00 0.00 34.50 34.26 1quw s PRO 92 CO -0.07 -4.50 2.16 1.57 -0.33 0.00 0.00 177.00 175.83 1quw h LYS 93 N -3.16 0.00 0.00 5.54 -0.00 -1.99 0.18 116.57 117.14 1quw h LYS 93 Ca -0.50 0.00 -0.06 0.00 -0.00 0.00 0.00 60.65 60.10 1quw h LYS 93 Cb 1.34 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.56 1quw h LYS 93 CO 0.36 0.00 -0.27 1.05 -0.00 0.00 0.00 179.45 180.59 1quw h GLU 94 N 0.00 0.00 0.20 0.07 4.11 -1.99 0.14 114.58 117.11 1quw h GLU 94 Ca -0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.16 1quw h GLU 94 Cb 0.00 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.28 1quw h GLU 94 CO 0.00 0.27 -1.21 1.96 0.07 0.00 0.00 179.01 180.10 1quw h GLN 95 N 0.00 0.43 0.13 1.06 1.08 -1.02 -3.08 115.11 113.71 1quw h GLN 95 Ca -0.00 -0.74 0.00 0.00 -1.45 0.00 0.00 58.65 56.46 1quw h GLN 95 Cb 0.48 0.28 -0.01 0.00 -0.05 0.00 0.00 27.48 28.18 1quw h GLN 95 CO 0.03 1.35 -0.11 -0.07 -0.95 0.00 0.00 178.83 179.09 1quw h LEU 96 N -0.08 -0.28 -0.31 1.46 -0.00 -0.89 -2.67 115.31 112.54 1quw h LEU 96 Ca -0.21 0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 57.64 1quw h LEU 96 Cb 1.94 0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 42.68 1quw h LEU 96 CO 0.22 -0.17 0.01 -0.33 -0.00 0.00 0.00 178.44 178.16 1quw h GLU 97 N -0.25 0.54 -0.02 1.13 5.08 -0.84 0.36 114.58 120.57 1quw h GLU 97 Ca -0.00 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1quw h GLU 97 Cb 0.23 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1quw h GLU 97 CO -0.01 0.68 0.01 0.00 -1.00 0.00 0.00 179.01 178.69 1quw h ALA 98 N 0.85 0.03 -0.47 3.43 0.00 -1.62 0.16 119.26 121.64 1quw h ALA 98 Ca 0.09 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1quw h ALA 98 Cb 0.43 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1quw h ALA 98 CO 0.01 -0.46 0.26 0.37 0.00 0.00 0.00 179.25 179.44 1quw h GLN 99 N -0.00 0.51 0.00 0.00 5.75 -1.31 -3.24 115.11 116.83 1quw h GLN 99 Ca 0.01 -0.03 -0.14 0.00 -0.15 0.00 0.00 58.65 58.34 1quw h GLN 99 Cb 0.03 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 1quw h GLN 99 CO -0.00 0.34 -1.01 -0.07 -2.65 0.00 0.00 178.83 175.43 1quw h LEU 100 N 0.52 0.00 -1.97 -2.39 3.38 -0.10 -3.18 115.31 111.57 1quw h LEU 100 Ca 0.19 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.19 1quw h LEU 100 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1quw h LEU 100 CO -0.11 0.53 0.08 0.00 0.09 0.00 0.00 178.44 179.03 1quw h ALA 101 N 1.47 2.05 -0.28 1.53 0.00 -0.71 0.19 119.26 123.52 1quw h ALA 101 Ca -0.09 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1quw h ALA 101 Cb 1.48 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1quw h ALA 101 CO 0.05 -0.08 -0.09 0.22 0.00 0.00 0.00 179.25 179.36 1quw h ASP 102 N 0.04 0.56 0.84 0.00 3.58 -1.61 -3.20 116.42 116.63 1quw h ASP 102 Ca 0.05 -0.38 -0.19 0.00 0.42 0.00 0.00 57.03 56.92 1quw h ASP 102 Cb 0.15 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.01 1quw h ASP 102 CO -0.00 0.82 -1.26 -0.37 -2.88 0.00 0.00 179.24 175.54 1quw h VAL 103 N 0.31 0.83 0.00 2.25 -1.51 -1.53 -3.35 116.25 113.25 1quw h VAL 103 Ca 0.07 -2.43 -0.14 0.00 -1.23 0.00 0.00 66.70 62.97 1quw h VAL 103 Cb 0.58 2.32 -0.02 0.00 -2.13 0.00 0.00 31.29 32.04 1quw h VAL 103 CO 0.03 0.47 -0.68 -0.07 -1.23 0.00 0.00 177.57 176.09 1quw h LEU 104 N 0.00 0.00 0.00 4.19 3.38 -0.72 -3.50 115.31 118.66 1quw h LEU 104 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1quw h LEU 104 Cb 1.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.44 1quw h LEU 104 CO 0.07 0.68 0.00 0.00 0.09 0.00 0.00 178.44 179.29