#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 5.16 0.67 0.00 -4.23 -1.26 -4.93 115.64 111.06 1quw s THR 2 Ca 0.00 -0.73 -0.11 0.00 -1.18 0.00 0.00 61.69 59.66 1quw s THR 2 Cb 0.00 -3.64 -0.01 0.00 1.34 0.00 0.00 72.50 70.19 1quw s THR 2 CO 0.00 -0.07 1.06 -0.32 -0.54 0.00 0.00 174.62 174.74 1quw s MET 3 N -3.14 3.14 -0.07 3.99 -2.45 -0.36 -4.95 119.30 115.46 1quw s MET 3 Ca 0.34 0.76 -0.01 0.00 -1.25 0.00 0.00 55.69 55.52 1quw s MET 3 Cb -0.11 -2.03 0.03 0.00 1.25 0.00 0.00 34.83 33.97 1quw s MET 3 CO 0.27 -0.90 0.00 0.99 1.05 0.00 0.00 175.02 176.43 1quw s THR 4 N -3.16 0.39 0.43 10.11 2.01 -1.26 -1.27 115.64 122.88 1quw s THR 4 Ca 0.57 0.11 0.08 0.00 0.31 0.00 0.00 61.69 62.76 1quw s THR 4 Cb -0.12 -0.55 -0.00 0.00 0.01 0.00 0.00 72.50 71.84 1quw s THR 4 CO 0.54 0.26 0.47 -0.76 -0.69 0.00 0.00 174.62 174.44 1quw s LEU 5 N 1.97 3.49 0.10 4.42 1.02 -0.05 -4.85 118.68 124.77 1quw s LEU 5 Ca 0.05 -0.62 -0.15 0.00 0.02 0.00 0.00 54.13 53.43 1quw s LEU 5 Cb -0.12 -2.29 0.03 0.00 0.02 0.00 0.00 46.19 43.83 1quw s LEU 5 CO -0.05 -0.73 0.37 0.28 0.02 0.00 0.00 176.35 176.23 1quw s THR 6 N -2.43 0.08 0.16 5.49 -1.32 -1.26 -4.45 115.64 111.91 1quw s THR 6 Ca 0.51 -0.64 -0.04 0.00 -1.21 0.00 0.00 61.69 60.31 1quw s THR 6 Cb -0.06 -1.12 0.26 0.00 -1.51 0.00 0.00 72.50 70.07 1quw s THR 6 CO 0.30 -0.35 0.90 -0.90 -2.21 0.00 0.00 174.62 172.36 1quw n ASP 7 N 0.03 -0.20 -0.04 8.08 5.75 -1.26 0.14 116.55 129.05 1quw n ASP 7 Ca -0.17 0.99 -0.09 0.00 -0.01 0.00 0.00 54.79 55.52 1quw n ASP 7 Cb 0.62 -0.30 -0.08 0.00 -1.03 0.00 0.00 41.12 40.34 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 1.15 -0.04 0.00 2.12 0.00 -2.02 -3.26 119.26 117.21 1quw h ALA 8 Ca 0.28 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1quw h ALA 8 Cb 0.43 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1quw h ALA 8 CO -0.59 -0.06 -0.17 -0.97 0.00 0.00 0.00 179.25 177.45 1quw h ASN 9 N -0.97 0.00 -0.50 0.00 -1.24 -1.73 -3.00 115.58 108.14 1quw h ASN 9 Ca -0.00 0.00 0.10 0.00 0.71 0.00 0.00 56.30 57.10 1quw h ASN 9 Cb 0.56 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 39.53 1quw h ASN 9 CO 0.01 0.17 -0.01 0.15 -1.29 0.00 0.00 177.43 176.46 1quw h PHE 10 N 0.00 -0.05 0.38 0.67 3.57 0.12 0.21 116.94 121.83 1quw h PHE 10 Ca -0.00 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1quw h PHE 10 Cb 0.38 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1quw h PHE 10 CO 0.00 -0.12 -0.18 1.96 -2.23 0.00 0.00 178.31 177.73 1quw h GLN 11 N 0.10 -0.49 -0.73 1.11 1.08 -1.57 -2.57 115.11 112.04 1quw h GLN 11 Ca 0.25 0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.62 1quw h GLN 11 Cb 0.38 0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.87 1quw h GLN 11 CO -0.43 -0.22 0.49 0.37 -0.95 0.00 0.00 178.83 178.09 1quw h GLN 12 N -0.70 0.41 -0.33 1.46 4.15 -1.54 -1.52 115.11 117.04 1quw h GLN 12 Ca -0.05 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 1quw h GLN 12 Cb 0.49 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 1quw h GLN 12 CO 0.09 0.27 0.12 0.00 -1.93 0.00 0.00 178.83 177.38 1quw h ALA 13 N 1.65 0.43 0.00 3.38 0.00 -0.33 -3.24 119.26 121.15 1quw h ALA 13 Ca 0.35 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1quw h ALA 13 Cb 0.78 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1quw h ALA 13 CO -0.11 0.05 -0.74 -0.84 0.00 0.00 0.00 179.25 177.61 1quw h ILE 14 N 0.39 0.71 0.00 0.00 3.07 -0.97 -3.26 117.51 117.44 1quw h ILE 14 Ca 0.11 -2.08 0.00 0.00 1.55 0.00 0.00 64.86 64.44 1quw h ILE 14 Cb 0.22 2.28 0.00 0.00 -0.27 0.00 0.00 36.82 39.04 1quw h ILE 14 CO -0.01 0.41 0.00 0.00 -1.05 0.00 0.00 178.15 177.50 1quw n GLN 15 N -3.11 0.01 0.00 0.16 6.02 -0.64 -1.44 117.38 118.38 1quw n GLN 15 Ca -0.01 0.20 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 1quw n GLN 15 Cb 0.75 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 30.49 1quw n GLN 15 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1quw n GLY 16 N 0.36 -2.40 1.68 1.08 0.00 -1.23 -4.63 105.19 100.05 1quw n GLY 16 Ca 0.04 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.44 0.00 -4.30 1.61 2.03 -1.26 -5.03 116.55 109.16 1quw n ASP 17 Ca 0.00 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.13 1quw n ASP 17 Cb 0.00 0.36 0.08 0.00 -0.72 0.00 0.00 41.12 40.84 1quw n ASP 17 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1quw n LYS 18 N -2.26 0.26 -1.72 -0.67 2.85 -1.26 -4.21 118.16 111.16 1quw n LYS 18 Ca 0.00 -2.45 -0.42 0.00 -1.05 0.00 0.00 58.31 54.39 1quw n LYS 18 Cb 0.00 -0.42 -0.00 0.00 -0.65 0.00 0.00 35.03 33.95 1quw n LYS 18 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1quw n PRO 19 N -2.38 2.26 -3.67 -1.58 -0.02 -1.26 -4.69 135.00 123.67 1quw n PRO 19 Ca 0.14 0.79 -0.18 0.00 -2.02 0.00 0.00 63.50 62.23 1quw n PRO 19 Cb 0.51 -2.43 -0.17 0.00 -0.02 0.00 0.00 33.50 31.39 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 -1.11 -0.20 -0.02 -1.45 1.01 0.97 -4.55 120.40 115.04 1quw s VAL 20 Ca 0.55 0.38 -0.20 0.00 0.00 0.00 0.00 61.98 62.71 1quw s VAL 20 Cb -0.54 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 1quw s VAL 20 CO 0.62 0.15 0.56 -0.22 0.00 0.00 0.00 175.10 176.22 1quw s LEU 21 N 2.24 4.41 -0.15 3.92 0.20 -0.56 -0.94 118.68 127.81 1quw s LEU 21 Ca 0.04 1.10 -0.04 0.00 0.69 0.00 0.00 54.13 55.92 1quw s LEU 21 Cb -0.12 -2.87 -0.03 0.00 -0.43 0.00 0.00 46.19 42.74 1quw s LEU 21 CO -0.05 0.11 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.42 1quw s VAL 22 N -0.19 4.10 -0.41 1.68 1.01 -0.31 -1.55 120.40 124.74 1quw s VAL 22 Ca 0.30 -0.29 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 1quw s VAL 22 Cb -0.18 -2.79 0.03 0.00 0.00 0.00 0.00 36.38 33.44 1quw s VAL 22 CO 0.16 0.51 0.28 -1.81 0.00 0.00 0.00 175.10 174.24 1quw s ASP 23 N 0.13 6.01 -0.27 3.32 1.11 -0.18 -2.00 116.67 124.79 1quw s ASP 23 Ca 0.00 -0.96 -0.22 0.00 0.18 0.00 0.00 52.55 51.55 1quw s ASP 23 Cb -0.13 -2.12 -0.01 0.00 1.07 0.00 0.00 42.92 41.72 1quw s ASP 23 CO 0.02 -0.45 0.72 -0.36 1.18 0.00 0.00 175.17 176.29 1quw s PHE 24 N 1.64 3.27 0.27 4.23 0.40 0.56 -2.57 117.98 125.78 1quw s PHE 24 Ca 0.04 0.89 -0.04 0.00 -0.60 0.00 0.00 56.93 57.22 1quw s PHE 24 Cb -0.19 -3.00 -0.02 0.00 0.51 0.00 0.00 43.02 40.32 1quw s PHE 24 CO 0.09 -0.41 0.35 1.67 0.70 0.00 0.00 175.22 177.62 1quw s TRP 25 N 2.71 0.99 0.05 0.36 1.48 -1.18 -1.37 118.94 121.98 1quw s TRP 25 Ca 0.30 -1.21 0.01 0.00 -1.06 0.00 0.00 56.10 54.14 1quw s TRP 25 Cb -0.15 -0.22 -0.03 0.00 -1.16 0.00 0.00 33.47 31.91 1quw s TRP 25 CO 0.09 -0.92 -0.05 0.00 -4.06 0.00 0.00 176.95 172.01 1quw s ALA 26 N -3.68 0.48 0.20 2.67 0.00 -1.26 -2.45 121.76 117.72 1quw s ALA 26 Ca 0.32 -0.89 0.20 0.00 0.00 0.00 0.00 51.96 51.60 1quw s ALA 26 Cb 0.02 0.14 0.81 0.00 0.00 0.00 0.00 23.12 24.09 1quw s ALA 26 CO 0.16 -0.17 1.79 0.00 0.00 0.00 0.00 175.76 177.54 1quw h ALA 27 N 4.05 1.05 -0.00 0.00 0.00 -2.01 -2.46 119.26 119.89 1quw h ALA 27 Ca -0.34 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1quw h ALA 27 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1quw h ALA 27 CO 0.49 0.40 -0.24 -2.67 0.00 0.00 0.00 179.25 177.23 1quw n TRP 28 N -3.55 0.00 -1.98 0.00 4.27 -1.26 -4.93 117.44 109.99 1quw n TRP 28 Ca -0.00 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.20 1quw n TRP 28 Cb 0.46 -0.37 -0.01 0.00 -1.36 0.00 0.00 31.31 30.02 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 3.39 0.00 1.90 0.00 0.00 -1.91 -3.38 103.07 103.07 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 0.66 0.00 0.00 -1.55 0.00 0.00 0.00 176.54 175.65 1quw n PRO 31 N -4.50 0.07 0.15 4.80 -0.04 -1.26 -2.39 135.00 131.82 1quw n PRO 31 Ca -0.00 0.16 0.13 0.00 -0.04 0.00 0.00 63.50 63.74 1quw n PRO 31 Cb 0.01 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.95 -0.15 0.00 -0.00 -1.66 -2.22 114.38 111.30 1quw h ARG 33 Ca 0.00 -0.13 -0.08 0.00 -0.50 0.00 0.00 59.98 59.28 1quw h ARG 33 Cb 0.56 -0.18 -0.01 0.00 0.00 0.00 0.00 29.97 30.34 1quw h ARG 33 CO 0.00 0.74 -0.25 0.52 0.00 0.00 0.00 179.97 180.98 1quw h MET 34 N 0.95 0.26 0.00 0.04 2.86 -1.69 -2.36 114.93 114.99 1quw h MET 34 Ca 0.23 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1quw h MET 34 Cb 0.10 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1quw h MET 34 CO -0.03 0.50 0.00 -1.33 1.06 0.00 0.00 176.91 177.11 1quw n MET 35 N -4.16 0.20 -0.00 1.72 2.81 -0.88 -4.04 117.12 112.76 1quw n MET 35 Ca -0.01 0.27 -0.10 0.00 -1.81 0.00 0.00 57.70 56.06 1quw n MET 35 Cb 0.36 -1.78 -0.03 0.00 -0.71 0.00 0.00 33.22 31.06 1quw n MET 35 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1quw h ALA 36 N 2.47 -0.27 -0.14 3.04 0.00 -0.92 -1.14 119.26 122.30 1quw h ALA 36 Ca 0.00 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 1quw h ALA 36 Cb 0.55 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1quw h ALA 36 CO 0.00 -0.73 -0.71 -1.00 0.00 0.00 0.00 179.25 176.81 1quw h PRO 37 N -0.33 0.62 -0.16 0.00 0.13 -1.77 -2.93 132.00 127.57 1quw h PRO 37 Ca 0.10 -0.48 -0.10 0.00 -0.87 0.00 0.00 66.00 64.66 1quw h PRO 37 Cb 0.49 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1quw h PRO 37 CO -0.33 1.10 -0.32 -0.39 -0.23 0.00 0.00 178.00 177.82 1quw h VAL 38 N 0.44 1.28 -0.05 1.56 -1.51 -1.70 -0.84 116.25 115.42 1quw h VAL 38 Ca -0.03 -1.34 -0.18 0.00 -1.23 0.00 0.00 66.70 63.92 1quw h VAL 38 Cb 1.30 1.52 -0.01 0.00 -2.13 0.00 0.00 31.29 31.97 1quw h VAL 38 CO 0.14 0.41 -0.75 -0.07 -1.23 0.00 0.00 177.57 176.06 1quw h LEU 39 N 0.27 0.39 -0.68 4.19 3.38 -1.22 0.55 115.31 122.19 1quw h LEU 39 Ca 0.04 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 1quw h LEU 39 Cb 0.71 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1quw h LEU 39 CO 0.05 1.00 -0.15 -0.33 0.09 0.00 0.00 178.44 179.11 1quw h GLU 40 N 0.21 0.87 0.00 1.13 4.39 -1.34 -2.17 114.58 117.67 1quw h GLU 40 Ca -0.03 -0.32 -0.06 0.00 0.34 0.00 0.00 59.36 59.29 1quw h GLU 40 Cb 1.33 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 1quw h GLU 40 CO 0.12 0.96 -0.29 0.93 -1.16 0.00 0.00 179.01 179.57 1quw h GLU 41 N 0.77 0.00 -0.15 2.33 5.08 -0.88 -3.06 114.58 118.66 1quw h GLU 41 Ca 0.12 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.35 1quw h GLU 41 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1quw h GLU 41 CO 0.05 0.29 -0.42 0.35 -1.00 0.00 0.00 179.01 178.28 1quw h PHE 42 N 0.00 0.72 0.00 4.33 3.57 0.61 -0.32 116.94 125.85 1quw h PHE 42 Ca -0.00 -0.28 -0.01 0.00 3.53 0.00 0.00 57.97 61.21 1quw h PHE 42 Cb 0.68 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 1quw h PHE 42 CO 0.00 1.04 -0.02 0.00 -2.23 0.00 0.00 178.31 177.09 1quw h ALA 43 N 0.54 1.07 0.00 2.41 0.00 -1.43 -1.18 119.26 120.67 1quw h ALA 43 Ca -0.01 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1quw h ALA 43 Cb 1.04 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1quw h ALA 43 CO 0.09 0.03 -0.85 1.49 0.00 0.00 0.00 179.25 180.02 1quw h GLU 44 N 0.00 0.00 0.34 0.00 4.81 -1.35 -2.23 114.58 116.15 1quw h GLU 44 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1quw h GLU 44 Cb 0.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1quw h GLU 44 CO 0.00 0.29 -0.16 0.00 -0.73 0.00 0.00 179.01 178.41 1quw h ALA 45 N 1.61 -0.45 0.00 2.92 0.00 0.17 -3.39 119.26 120.11 1quw h ALA 45 Ca -0.06 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1quw h ALA 45 Cb 1.35 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1quw h ALA 45 CO 0.04 -0.45 -0.49 0.45 0.00 0.00 0.00 179.25 178.80 1quw h HIS 46 N -1.05 0.00 0.00 0.00 3.86 -1.64 -3.47 115.15 112.86 1quw h HIS 46 Ca -0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1quw h HIS 46 Cb 0.45 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1quw h HIS 46 CO 0.02 0.80 0.00 0.00 0.86 0.00 0.00 177.93 179.61 1quw n ALA 47 N -3.08 0.00 -0.50 2.45 0.00 -0.84 -3.77 120.51 114.78 1quw n ALA 47 Ca -0.15 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.23 1quw n ALA 47 Cb 0.42 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.88 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 2.69 5.45 0.00 0.00 5.75 -1.26 -3.76 116.55 125.42 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 -1.04 0.00 0.00 -1.03 0.00 0.00 41.12 39.05 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 0.96 0.00 -4.20 0.11 3.00 -1.25 -5.12 118.16 111.66 1quw n LYS 49 Ca 0.11 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 58.09 1quw n LYS 49 Cb 0.55 -0.06 -0.08 0.00 0.00 0.00 0.00 35.03 35.45 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 -1.78 4.51 -0.42 3.15 0.11 -1.25 -4.95 120.40 119.78 1quw s VAL 50 Ca 0.00 -0.39 -0.13 0.00 -2.93 0.00 0.00 61.98 58.53 1quw s VAL 50 Cb 0.00 -3.00 0.05 0.00 -1.53 0.00 0.00 36.38 31.89 1quw s VAL 50 CO 0.00 0.43 0.29 -0.89 -3.33 0.00 0.00 175.10 171.60 1quw s THR 51 N -1.08 4.87 -0.73 5.04 2.01 -1.26 -4.61 115.64 119.87 1quw s THR 51 Ca 0.19 -0.95 -0.18 0.00 0.31 0.00 0.00 61.69 61.06 1quw s THR 51 Cb -0.12 -3.81 0.13 0.00 0.01 0.00 0.00 72.50 68.72 1quw s THR 51 CO 0.10 -0.39 0.85 -0.69 -0.69 0.00 0.00 174.62 173.79 1quw s VAL 52 N 1.59 4.90 0.57 3.82 1.01 -1.26 -1.49 120.40 129.53 1quw s VAL 52 Ca 0.03 -1.36 0.08 0.00 0.00 0.00 0.00 61.98 60.73 1quw s VAL 52 Cb -0.21 -4.58 0.07 0.00 0.00 0.00 0.00 36.38 31.66 1quw s VAL 52 CO 0.07 -1.24 0.62 0.00 0.00 0.00 0.00 175.10 174.55 1quw s ALA 53 N 2.35 4.61 -0.16 5.51 0.00 -0.60 -1.23 121.76 132.25 1quw s ALA 53 Ca 0.19 -1.71 -0.04 0.00 0.00 0.00 0.00 51.96 50.40 1quw s ALA 53 Cb -0.16 -1.10 0.06 0.00 0.00 0.00 0.00 23.12 21.92 1quw s ALA 53 CO -0.00 -0.69 0.07 0.15 0.00 0.00 0.00 175.76 175.29 1quw s LYS 54 N -4.50 0.18 -0.18 0.00 -0.14 -0.39 -1.01 119.74 113.69 1quw s LYS 54 Ca 0.48 -0.09 -0.00 0.00 -1.36 0.00 0.00 55.97 55.00 1quw s LYS 54 Cb -0.04 -1.71 0.01 0.00 -1.68 0.00 0.00 37.83 34.41 1quw s LYS 54 CO 0.30 -0.61 -0.15 -1.17 -0.76 0.00 0.00 175.35 172.96 1quw s LEU 55 N 2.08 2.42 -0.15 3.17 1.98 -1.06 -0.87 118.68 126.25 1quw s LEU 55 Ca 0.02 -0.54 -0.27 0.00 -2.89 0.00 0.00 54.13 50.46 1quw s LEU 55 Cb -0.16 -1.57 -0.01 0.00 0.66 0.00 0.00 46.19 45.11 1quw s LEU 55 CO -0.08 0.02 0.89 0.20 -1.89 0.00 0.00 176.35 175.49 1quw s ASN 56 N 1.21 7.06 0.53 3.68 -0.87 -1.26 -3.09 114.94 122.18 1quw s ASN 56 Ca 0.02 1.30 0.30 0.00 -1.57 0.00 0.00 52.86 52.92 1quw s ASN 56 Cb -0.14 -2.49 1.38 0.00 -0.02 0.00 0.00 41.25 39.98 1quw s ASN 56 CO -0.07 -0.41 2.00 -0.37 -2.57 0.00 0.00 177.10 175.69 1quw h VAL 57 N 5.15 0.31 0.08 1.60 -1.51 -1.69 -0.29 116.25 119.89 1quw h VAL 57 Ca -0.30 -0.64 -0.18 0.00 -1.23 0.00 0.00 66.70 64.36 1quw h VAL 57 Cb 1.14 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 1quw h VAL 57 CO 0.84 0.09 -0.87 -0.78 -1.23 0.00 0.00 177.57 175.63 1quw h ASP 58 N 0.00 0.27 -0.20 4.19 1.82 -1.91 -3.37 116.42 117.21 1quw h ASP 58 Ca -0.00 -0.87 -0.18 0.00 -0.39 0.00 0.00 57.03 55.58 1quw h ASP 58 Cb 0.48 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 40.40 1quw h ASP 58 CO 0.01 1.38 -0.56 -0.08 -1.61 0.00 0.00 179.24 178.39 1quw h GLU 59 N -0.58 0.79 -4.65 0.28 4.81 -1.93 -3.40 114.58 109.90 1quw h GLU 59 Ca -0.19 -0.51 -0.68 0.00 -0.13 0.00 0.00 59.36 57.86 1quw h GLU 59 Cb 1.48 0.06 -0.36 0.00 0.63 0.00 0.00 28.75 30.56 1quw h GLU 59 CO 0.04 1.14 -0.66 -0.80 -0.73 0.00 0.00 179.01 177.99 1quw s ASN 60 N -6.95 4.93 0.00 1.04 0.01 -0.13 -4.96 114.94 108.88 1quw s ASN 60 Ca -0.10 -1.85 0.23 0.00 -0.71 0.00 0.00 52.86 50.44 1quw s ASN 60 Cb 0.10 -1.71 0.19 0.00 0.41 0.00 0.00 41.25 40.24 1quw s ASN 60 CO 0.88 -0.39 1.20 -0.81 -1.51 0.00 0.00 177.10 176.46 1quw n PRO 61 N 4.47 0.42 0.09 -0.60 -0.04 -1.26 -4.36 135.00 133.72 1quw n PRO 61 Ca -0.04 -0.31 -0.20 0.00 -0.04 0.00 0.00 63.50 62.91 1quw n PRO 61 Cb 0.42 -1.49 -0.15 0.00 -0.04 0.00 0.00 33.50 32.24 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 0.77 0.36 0.07 0.54 4.11 -1.93 -2.75 114.58 115.74 1quw h GLU 62 Ca 0.00 -0.61 -0.26 0.00 0.07 0.00 0.00 59.36 58.56 1quw h GLU 62 Cb 0.56 0.23 0.01 0.00 0.50 0.00 0.00 28.75 30.05 1quw h GLU 62 CO 0.00 1.25 -1.10 0.00 0.07 0.00 0.00 179.01 179.23 1quw h THR 63 N 0.10 1.39 0.00 -1.06 1.03 -1.96 -1.86 112.91 110.55 1quw h THR 63 Ca -0.26 -2.61 -0.06 0.00 -0.01 0.00 0.00 66.41 63.47 1quw h THR 63 Cb 2.07 2.63 -0.01 0.00 -1.07 0.00 0.00 68.15 71.77 1quw h THR 63 CO 0.20 0.78 -0.28 0.00 -0.01 0.00 0.00 175.52 176.20 1quw h THR 64 N 0.20 0.99 0.03 0.00 1.03 -1.76 -2.13 112.91 111.28 1quw h THR 64 Ca -0.12 -1.04 -0.22 0.00 -0.01 0.00 0.00 66.41 65.01 1quw h THR 64 Cb 1.77 1.59 -0.02 0.00 -1.07 0.00 0.00 68.15 70.43 1quw h THR 64 CO 0.19 0.28 -1.05 0.77 -0.01 0.00 0.00 175.52 175.70 1quw h SER 65 N 0.00 0.10 0.25 0.00 4.64 -1.44 -2.42 113.55 114.68 1quw h SER 65 Ca -0.00 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 1quw h SER 65 Cb 0.57 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1quw h SER 65 CO 0.04 1.08 -0.12 -0.61 -0.87 0.00 0.00 176.83 176.35 1quw h GLN 66 N 0.02 -0.32 -0.04 4.77 4.15 -0.92 -3.25 115.11 119.52 1quw h GLN 66 Ca -0.04 0.02 -0.16 0.00 0.77 0.00 0.00 58.65 59.24 1quw h GLN 66 Cb 1.80 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 29.55 1quw h GLN 66 CO 0.15 -0.03 -0.69 0.74 -1.93 0.00 0.00 178.83 177.06 1quw h PHE 67 N -0.60 0.26 -1.46 3.99 0.04 -1.53 -3.48 116.94 114.15 1quw h PHE 67 Ca -0.03 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.62 1quw h PHE 67 Cb 0.43 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.54 1quw h PHE 67 CO 0.01 0.82 0.00 0.41 -0.60 0.00 0.00 178.31 178.95 1quw n GLY 68 N 0.46 0.24 3.62 -1.45 0.00 -0.98 -5.01 105.19 102.06 1quw n GLY 68 Ca -0.02 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.17 4.57 0.03 -0.61 -1.09 -0.95 -4.91 121.20 116.07 1quw s ILE 69 Ca 0.00 1.41 -0.16 0.00 -2.23 0.00 0.00 60.65 59.67 1quw s ILE 69 Cb 0.00 -4.35 -0.33 0.00 -1.58 0.00 0.00 42.46 36.20 1quw s ILE 69 CO 0.00 -0.49 1.04 0.24 -1.23 0.00 0.00 174.94 174.49 1quw h MET 70 N 8.30 0.57 -1.88 2.79 2.86 -1.95 -3.46 114.93 122.16 1quw h MET 70 Ca -0.22 -0.87 0.07 0.00 -2.06 0.00 0.00 59.70 56.62 1quw h MET 70 Cb 1.07 0.31 -0.21 0.00 0.06 0.00 0.00 31.60 32.84 1quw h MET 70 CO 0.99 1.41 -0.17 0.45 1.06 0.00 0.00 176.91 180.66 1quw s SER 71 N -7.49 -1.13 0.50 1.22 0.15 -1.26 -5.14 113.70 100.55 1quw s SER 71 Ca -0.09 1.44 -0.20 0.00 0.70 0.00 0.00 55.95 57.79 1quw s SER 71 Cb 0.04 2.23 -0.07 0.00 -1.71 0.00 0.00 66.02 66.51 1quw s SER 71 CO 0.94 -0.23 1.08 0.27 1.20 0.00 0.00 173.24 176.50 1quw s ILE 72 N 2.88 3.50 0.34 6.45 -5.25 -1.26 -4.01 121.20 123.85 1quw s ILE 72 Ca -0.02 0.97 -0.26 0.00 -0.99 0.00 0.00 60.65 60.35 1quw s ILE 72 Cb -0.12 -3.41 -0.09 0.00 2.95 0.00 0.00 42.46 41.78 1quw s ILE 72 CO -0.19 -0.17 1.00 -2.16 -1.79 0.00 0.00 174.94 171.63 1quw s PRO 73 N -3.16 4.45 -0.11 0.37 0.04 -1.26 -4.79 135.00 130.54 1quw s PRO 73 Ca 0.68 1.46 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1quw s PRO 73 Cb -0.20 -2.77 0.02 0.00 0.04 0.00 0.00 34.50 31.58 1quw s PRO 73 CO 0.24 0.13 -0.10 0.99 0.04 0.00 0.00 177.00 178.30 1quw s THR 74 N -1.56 1.13 -0.30 1.26 2.01 -0.47 -2.33 115.64 115.38 1quw s THR 74 Ca 0.52 -0.38 -0.09 0.00 0.31 0.00 0.00 61.69 62.05 1quw s THR 74 Cb -0.22 -1.11 -0.01 0.00 0.01 0.00 0.00 72.50 71.17 1quw s THR 74 CO 0.28 0.38 0.12 -0.76 -0.69 0.00 0.00 174.62 173.95 1quw s LEU 75 N 1.48 3.96 -0.12 4.42 2.01 -1.14 -0.32 118.68 128.97 1quw s LEU 75 Ca 0.01 -0.53 0.02 0.00 0.01 0.00 0.00 54.13 53.64 1quw s LEU 75 Cb -0.13 -1.96 0.01 0.00 0.01 0.00 0.00 46.19 44.12 1quw s LEU 75 CO -0.06 -0.17 -0.17 -0.63 1.01 0.00 0.00 176.35 176.32 1quw s ILE 76 N 1.59 1.64 -0.22 -0.59 1.01 -0.85 -2.99 121.20 120.79 1quw s ILE 76 Ca 0.04 -0.73 -0.17 0.00 0.00 0.00 0.00 60.65 59.80 1quw s ILE 76 Cb -0.17 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 1quw s ILE 76 CO 0.05 0.47 0.45 -0.22 0.00 0.00 0.00 174.94 175.69 1quw s LEU 77 N 0.94 4.13 -0.05 2.97 1.98 -1.12 -1.16 118.68 126.36 1quw s LEU 77 Ca -0.07 0.54 -0.01 0.00 -2.89 0.00 0.00 54.13 51.70 1quw s LEU 77 Cb -0.15 -2.59 -0.04 0.00 0.66 0.00 0.00 46.19 44.08 1quw s LEU 77 CO -0.02 -0.15 0.04 -0.36 -1.89 0.00 0.00 176.35 173.97 1quw s PHE 78 N 1.63 3.23 -0.02 5.38 0.08 -0.11 0.87 117.98 129.04 1quw s PHE 78 Ca 0.20 0.21 -0.02 0.00 0.12 0.00 0.00 56.93 57.44 1quw s PHE 78 Cb -0.15 -1.77 -0.01 0.00 -0.57 0.00 0.00 43.02 40.52 1quw s PHE 78 CO 0.09 0.52 -0.04 1.17 -0.10 0.00 0.00 175.22 176.86 1quw n LYS 79 N 1.70 0.06 -2.77 0.44 4.81 -0.82 -0.02 118.16 121.56 1quw n LYS 79 Ca -0.16 0.03 -0.25 0.00 -0.87 0.00 0.00 58.31 57.05 1quw n LYS 79 Cb 0.53 -0.52 -0.02 0.00 0.02 0.00 0.00 35.03 35.04 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 1.93 5.25 2.11 3.14 0.00 -1.26 -4.02 105.19 112.34 1quw n GLY 80 Ca -0.02 -2.56 -0.07 0.00 0.00 0.00 0.00 46.02 43.38 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 -0.27 0.44 3.54 -0.02 0.00 -0.52 -4.77 105.19 103.60 1quw n GLY 81 Ca 0.32 -0.45 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 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 -5.18 0.56 -0.11 1.61 3.00 -1.26 -4.97 118.95 112.61 1quw s ARG 82 Ca 0.14 1.24 -0.29 0.00 -1.00 0.00 0.00 55.73 55.81 1quw s ARG 82 Cb -0.06 0.44 -0.03 0.00 0.00 0.00 0.00 34.95 35.29 1quw s ARG 82 CO 0.17 -0.19 1.45 -1.25 0.00 0.00 0.00 175.30 175.48 1quw s PRO 83 N 2.25 4.21 -0.11 5.12 0.04 -1.26 -1.95 135.00 143.30 1quw s PRO 83 Ca -0.07 1.92 -0.24 0.00 0.04 0.00 0.00 61.00 62.64 1quw s PRO 83 Cb -0.09 -3.85 -0.21 0.00 0.04 0.00 0.00 34.50 30.38 1quw s PRO 83 CO -0.18 -0.76 0.77 0.28 0.04 0.00 0.00 177.00 177.15 1quw h VAL 84 N 5.50 1.42 -4.05 -0.36 2.07 0.13 -3.48 116.25 117.48 1quw h VAL 84 Ca -0.33 -1.88 -0.14 0.00 0.82 0.00 0.00 66.70 65.18 1quw h VAL 84 Cb 1.14 2.60 -0.18 0.00 -1.52 0.00 0.00 31.29 33.33 1quw h VAL 84 CO 0.96 0.45 -0.65 -0.54 0.02 0.00 0.00 177.57 177.81 1quw s LYS 85 N -2.58 0.51 -0.14 1.57 1.02 -1.24 -5.01 119.74 113.87 1quw s LYS 85 Ca -0.16 -0.91 -0.03 0.00 0.02 0.00 0.00 55.97 54.90 1quw s LYS 85 Cb -0.02 0.18 0.05 0.00 -0.52 0.00 0.00 37.83 37.53 1quw s LYS 85 CO 0.58 -0.10 0.04 -1.14 -0.92 0.00 0.00 175.35 173.82 1quw s GLN 86 N -2.81 0.40 -0.05 1.68 0.74 -1.26 -2.80 119.66 115.57 1quw s GLN 86 Ca -0.03 -0.09 0.02 0.00 0.05 0.00 0.00 55.36 55.30 1quw s GLN 86 Cb -0.00 -1.53 0.02 0.00 1.10 0.00 0.00 33.01 32.59 1quw s GLN 86 CO -0.06 -0.52 -0.07 -0.48 -0.55 0.00 0.00 175.29 173.61 1quw s LEU 87 N 2.00 1.47 0.00 3.68 -0.00 -1.16 -5.04 118.68 119.63 1quw s LEU 87 Ca 0.02 -0.18 0.03 0.00 -0.00 0.00 0.00 54.13 54.00 1quw s LEU 87 Cb -0.15 -0.55 -0.01 0.00 -0.00 0.00 0.00 46.19 45.48 1quw s LEU 87 CO -0.07 -0.02 0.09 2.30 -0.00 0.00 0.00 176.35 178.65 1quw n ILE 88 N 3.89 0.00 -1.85 1.48 -0.00 -1.26 -2.90 119.36 118.72 1quw n ILE 88 Ca -0.24 -1.99 0.00 0.00 -0.00 0.00 0.00 62.75 60.52 1quw n ILE 88 Cb 0.51 0.63 0.00 0.00 -0.00 0.00 0.00 39.64 40.79 1quw n ILE 88 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1quw n GLY 89 N -0.21 -2.19 3.66 3.28 0.00 -0.99 -4.76 105.19 103.98 1quw n GLY 89 Ca -0.08 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 1quw n GLY 89 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1quw s TYR 90 N -0.21 3.38 -0.17 1.61 5.04 -1.26 -4.53 117.35 121.21 1quw s TYR 90 Ca 0.00 1.31 0.00 0.00 -2.44 0.00 0.00 57.07 55.95 1quw s TYR 90 Cb 0.00 -3.11 0.03 0.00 0.35 0.00 0.00 41.96 39.24 1quw s TYR 90 CO 0.00 -0.34 -0.10 1.14 -1.34 0.00 0.00 175.55 174.90 1quw s GLN 91 N 2.59 1.98 1.16 4.97 0.00 -1.26 -5.12 119.66 123.96 1quw s GLN 91 Ca 0.40 -0.65 -0.17 0.00 -0.00 0.00 0.00 55.36 54.94 1quw s GLN 91 Cb -0.16 -2.18 0.18 0.00 0.00 0.00 0.00 33.01 30.84 1quw s GLN 91 CO 0.10 -0.35 0.34 -2.30 0.00 0.00 0.00 175.29 173.07 1quw n PRO 92 N 4.76 -2.02 0.11 9.60 -0.02 -1.26 -4.47 135.00 141.69 1quw n PRO 92 Ca -0.15 -0.57 0.09 0.00 -2.02 0.00 0.00 63.50 60.85 1quw n PRO 92 Cb 0.48 -1.85 0.57 0.00 -0.02 0.00 0.00 33.50 32.68 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 -2.33 0.21 -0.42 -0.52 3.64 -1.98 0.30 116.57 115.46 1quw h LYS 93 Ca -0.57 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 58.65 1quw h LYS 93 Cb 1.35 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 1quw h LYS 93 CO 0.42 0.14 -0.28 0.93 -2.27 0.00 0.00 179.45 178.39 1quw h GLU 94 N 0.21 0.94 -0.30 1.90 5.08 -1.99 -0.08 114.58 120.34 1quw h GLU 94 Ca 0.11 -0.44 -0.16 0.00 -1.00 0.00 0.00 59.36 57.87 1quw h GLU 94 Cb 0.18 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1quw h GLU 94 CO -0.02 1.10 -0.44 1.96 -1.00 0.00 0.00 179.01 180.61 1quw h GLN 95 N 0.77 0.83 -0.62 2.33 1.08 -1.66 -3.11 115.11 114.73 1quw h GLN 95 Ca 0.08 -0.49 -0.00 0.00 -1.45 0.00 0.00 58.65 56.79 1quw h GLN 95 Cb 0.87 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.31 1quw h GLN 95 CO 0.08 1.13 0.38 -0.07 -0.95 0.00 0.00 178.83 179.39 1quw h LEU 96 N 0.61 0.74 -0.63 1.46 3.38 -0.36 -2.85 115.31 117.67 1quw h LEU 96 Ca 0.03 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1quw h LEU 96 Cb 1.04 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1quw h LEU 96 CO 0.10 0.58 -0.15 -0.33 0.09 0.00 0.00 178.44 178.74 1quw h GLU 97 N 0.84 0.93 0.14 1.13 5.08 -1.01 -0.68 114.58 121.01 1quw h GLU 97 Ca 0.22 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1quw h GLU 97 Cb -0.03 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1quw h GLU 97 CO -0.04 1.01 -0.07 0.00 -1.00 0.00 0.00 179.01 178.91 1quw h ALA 98 N 1.00 -0.19 -0.93 3.43 0.00 -1.50 0.02 119.26 121.09 1quw h ALA 98 Ca 0.12 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1quw h ALA 98 Cb 0.69 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1quw h ALA 98 CO 0.05 -0.58 0.60 1.96 0.00 0.00 0.00 179.25 181.28 1quw h GLN 99 N -0.25 1.13 0.00 0.00 1.08 -1.40 -3.24 115.11 112.44 1quw h GLN 99 Ca -0.02 -0.07 -0.15 0.00 -1.45 0.00 0.00 58.65 56.96 1quw h GLN 99 Cb 0.19 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.34 1quw h GLN 99 CO 0.03 0.75 -1.32 -0.07 -0.95 0.00 0.00 178.83 177.27 1quw h LEU 100 N 1.17 0.00 -1.54 1.46 3.38 -0.94 -3.25 115.31 115.59 1quw h LEU 100 Ca 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.31 1quw h LEU 100 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1quw h LEU 100 CO -0.12 0.53 -0.02 0.00 0.09 0.00 0.00 178.44 178.92 1quw h ALA 101 N 1.47 1.63 -0.54 1.53 0.00 -1.02 -0.72 119.26 121.61 1quw h ALA 101 Ca -0.14 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 1quw h ALA 101 Cb 1.53 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1quw h ALA 101 CO 0.04 0.28 -0.12 0.22 0.00 0.00 0.00 179.25 179.68 1quw h ASP 102 N 0.27 1.03 0.97 0.00 1.82 -1.59 -3.18 116.42 115.73 1quw h ASP 102 Ca 0.06 -0.35 -0.17 0.00 -0.39 0.00 0.00 57.03 56.18 1quw h ASP 102 Cb 0.21 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 39.91 1quw h ASP 102 CO 0.01 1.15 -1.10 -0.37 -1.61 0.00 0.00 179.24 177.31 1quw h VAL 103 N 0.90 0.86 -0.02 2.25 -1.51 -1.60 -3.36 116.25 113.78 1quw h VAL 103 Ca 0.14 -2.40 -0.13 0.00 -1.23 0.00 0.00 66.70 63.08 1quw h VAL 103 Cb 0.69 2.34 -0.02 0.00 -2.13 0.00 0.00 31.29 32.17 1quw h VAL 103 CO 0.05 0.49 -0.61 -0.07 -1.23 0.00 0.00 177.57 176.20 1quw h LEU 104 N 0.00 0.07 0.00 4.19 3.38 -1.13 -3.46 115.31 118.36 1quw h LEU 104 Ca -0.10 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1quw h LEU 104 Cb 1.61 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1quw h LEU 104 CO 0.07 0.66 0.00 0.00 0.09 0.00 0.00 178.44 179.26