#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 3.62 0.49 0.00 -4.23 -1.26 -4.76 115.64 109.50 1quw s THR 2 Ca 0.00 -1.55 -0.04 0.00 -1.18 0.00 0.00 61.69 58.92 1quw s THR 2 Cb 0.00 -2.84 -0.02 0.00 1.34 0.00 0.00 72.50 70.98 1quw s THR 2 CO 0.00 -0.17 0.78 -0.32 -0.54 0.00 0.00 174.62 174.37 1quw s MET 3 N -3.10 3.27 -0.13 3.99 -2.45 -0.39 -4.98 119.30 115.51 1quw s MET 3 Ca 0.28 -0.03 -0.01 0.00 -1.25 0.00 0.00 55.69 54.68 1quw s MET 3 Cb -0.09 -2.41 0.04 0.00 1.25 0.00 0.00 34.83 33.63 1quw s MET 3 CO 0.19 -0.32 -0.02 0.99 1.05 0.00 0.00 175.02 176.90 1quw s THR 4 N -2.74 0.72 0.51 10.11 2.01 -1.26 -1.30 115.64 123.69 1quw s THR 4 Ca 0.49 -0.30 0.04 0.00 0.31 0.00 0.00 61.69 62.22 1quw s THR 4 Cb -0.10 -0.94 0.03 0.00 0.01 0.00 0.00 72.50 71.50 1quw s THR 4 CO 0.43 0.14 0.71 -0.76 -0.69 0.00 0.00 174.62 174.45 1quw s LEU 5 N 1.81 3.39 0.23 4.42 1.02 -0.38 -4.86 118.68 124.31 1quw s LEU 5 Ca 0.02 -0.21 -0.13 0.00 0.02 0.00 0.00 54.13 53.83 1quw s LEU 5 Cb -0.14 -2.71 0.00 0.00 0.02 0.00 0.00 46.19 43.36 1quw s LEU 5 CO -0.07 -1.05 0.47 0.28 0.02 0.00 0.00 176.35 176.00 1quw s THR 6 N -2.63 0.01 0.32 5.49 -1.32 -1.26 -4.43 115.64 111.82 1quw s THR 6 Ca 0.57 -1.28 0.09 0.00 -1.21 0.00 0.00 61.69 59.86 1quw s THR 6 Cb -0.10 -2.04 0.32 0.00 -1.51 0.00 0.00 72.50 69.17 1quw s THR 6 CO 0.37 -0.06 1.67 -2.24 -2.21 0.00 0.00 174.62 172.15 1quw h ASP 7 N 2.27 0.38 0.10 8.08 2.03 -1.91 0.66 116.42 128.04 1quw h ASP 7 Ca -0.27 0.18 -0.34 0.00 -0.73 0.00 0.00 57.03 55.87 1quw h ASP 7 Cb 1.25 0.16 -0.02 0.00 -0.83 0.00 0.00 39.33 39.88 1quw h ASP 7 CO 0.37 -0.09 -1.88 0.00 -1.03 0.00 0.00 179.24 176.60 1quw n ALA 8 N -2.43 0.88 0.20 4.15 0.00 -1.26 -3.80 120.51 118.25 1quw n ALA 8 Ca 0.27 -0.58 0.04 0.00 0.00 0.00 0.00 53.44 53.17 1quw n ALA 8 Cb 0.83 -0.64 0.43 0.00 0.00 0.00 0.00 19.45 20.06 1quw n ALA 8 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1quw h ASN 9 N -0.13 0.00 -0.58 0.00 -1.24 -1.83 -2.72 115.58 109.08 1quw h ASN 9 Ca -0.42 0.00 0.06 0.00 0.71 0.00 0.00 56.30 56.65 1quw h ASN 9 Cb 1.90 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.90 1quw h ASN 9 CO 0.03 0.31 0.29 0.15 -1.29 0.00 0.00 177.43 176.92 1quw h PHE 10 N 0.00 0.53 -0.38 0.67 3.04 0.19 0.37 116.94 121.36 1quw h PHE 10 Ca -0.00 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.93 1quw h PHE 10 Cb 0.58 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.92 1quw h PHE 10 CO 0.00 0.23 0.07 1.96 -2.02 0.00 0.00 178.31 178.55 1quw h GLN 11 N 0.54 0.56 0.00 1.11 4.20 -1.58 -2.39 115.11 117.55 1quw h GLN 11 Ca 0.27 -0.10 -0.14 0.00 0.06 0.00 0.00 58.65 58.74 1quw h GLN 11 Cb 0.20 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1quw h GLN 11 CO -0.20 0.53 -0.93 0.37 -0.67 0.00 0.00 178.83 177.94 1quw h GLN 12 N 0.55 0.00 -0.18 1.46 4.15 -1.43 -3.34 115.11 116.32 1quw h GLN 12 Ca 0.13 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.50 1quw h GLN 12 Cb 0.24 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 1quw h GLN 12 CO -0.00 0.43 -0.06 0.00 -1.93 0.00 0.00 178.83 177.27 1quw h ALA 13 N 1.45 0.25 0.00 3.38 0.00 0.24 -3.27 119.26 121.30 1quw h ALA 13 Ca -0.07 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 1quw h ALA 13 Cb 1.49 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1quw h ALA 13 CO 0.06 0.03 -0.54 -0.84 0.00 0.00 0.00 179.25 177.95 1quw h ILE 14 N 0.05 1.00 0.00 0.00 3.07 -1.67 -3.22 117.51 116.75 1quw h ILE 14 Ca 0.04 -2.22 0.00 0.00 1.55 0.00 0.00 64.86 64.24 1quw h ILE 14 Cb 0.51 2.35 0.00 0.00 -0.27 0.00 0.00 36.82 39.41 1quw h ILE 14 CO 0.02 0.53 0.00 1.56 -1.05 0.00 0.00 178.15 179.21 1quw h GLN 15 N 0.00 0.00 0.00 0.16 1.08 -1.68 -2.66 115.11 112.01 1quw h GLN 15 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1quw h GLN 15 Cb 1.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.74 1quw h GLN 15 CO 0.07 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.36 1quw n GLY 16 N 0.13 -2.55 2.10 3.46 0.00 -1.22 -4.70 105.19 102.41 1quw n GLY 16 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.10 -1.77 -4.89 1.61 2.03 -1.26 -4.95 116.55 107.22 1quw n ASP 17 Ca 0.00 0.39 -0.29 0.00 0.52 0.00 0.00 54.79 55.41 1quw n ASP 17 Cb 0.00 1.90 0.07 0.00 -0.72 0.00 0.00 41.12 42.37 1quw n ASP 17 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1quw s LYS 18 N -1.43 2.40 0.30 -0.67 -2.85 -1.26 -4.45 119.74 111.79 1quw s LYS 18 Ca 0.00 0.27 -0.29 0.00 -1.00 0.00 0.00 55.97 54.94 1quw s LYS 18 Cb 0.00 -1.99 -0.12 0.00 -2.06 0.00 0.00 37.83 33.66 1quw s LYS 18 CO 0.00 -1.32 1.41 -2.30 0.10 0.00 0.00 175.35 173.25 1quw n PRO 19 N -3.16 2.28 -3.69 1.78 -0.02 -1.26 -4.66 135.00 126.27 1quw n PRO 19 Ca 0.07 0.80 -0.27 0.00 -2.02 0.00 0.00 63.50 62.09 1quw n PRO 19 Cb 0.59 -2.47 -0.17 0.00 -0.02 0.00 0.00 33.50 31.44 1quw n PRO 19 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1quw s VAL 20 N -0.53 0.33 -0.33 -1.45 1.01 0.55 -3.65 120.40 116.33 1quw s VAL 20 Ca 0.61 -0.45 -0.23 0.00 0.00 0.00 0.00 61.98 61.91 1quw s VAL 20 Cb -0.57 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1quw s VAL 20 CO 0.55 -0.25 0.78 -0.22 0.00 0.00 0.00 175.10 175.96 1quw s LEU 21 N 1.95 4.11 -0.17 3.92 0.20 -0.68 -1.38 118.68 126.63 1quw s LEU 21 Ca 0.00 0.51 -0.17 0.00 0.69 0.00 0.00 54.13 55.17 1quw s LEU 21 Cb -0.17 -3.04 -0.04 0.00 -0.43 0.00 0.00 46.19 42.52 1quw s LEU 21 CO -0.09 -0.66 0.42 -0.69 -0.29 0.00 0.00 176.35 175.05 1quw s VAL 22 N 3.00 5.20 -0.45 1.68 1.01 -0.28 -0.21 120.40 130.35 1quw s VAL 22 Ca 0.31 0.80 -0.17 0.00 0.00 0.00 0.00 61.98 62.93 1quw s VAL 22 Cb -0.14 -3.76 0.04 0.00 0.00 0.00 0.00 36.38 32.53 1quw s VAL 22 CO 0.14 0.29 0.42 -1.81 0.00 0.00 0.00 175.10 174.15 1quw s ASP 23 N 0.82 6.17 -0.36 3.32 1.11 -0.52 -1.82 116.67 125.38 1quw s ASP 23 Ca 0.22 -0.97 -0.25 0.00 0.18 0.00 0.00 52.55 51.73 1quw s ASP 23 Cb -0.15 -2.21 0.01 0.00 1.07 0.00 0.00 42.92 41.65 1quw s ASP 23 CO 0.08 -0.62 0.90 -0.36 1.18 0.00 0.00 175.17 176.35 1quw s PHE 24 N 1.96 3.09 0.26 4.23 0.40 0.52 -2.45 117.98 125.99 1quw s PHE 24 Ca 0.08 0.75 -0.01 0.00 -0.60 0.00 0.00 56.93 57.16 1quw s PHE 24 Cb -0.20 -3.60 -0.03 0.00 0.51 0.00 0.00 43.02 39.71 1quw s PHE 24 CO 0.10 -0.80 0.28 1.67 0.70 0.00 0.00 175.22 177.17 1quw s TRP 25 N 3.40 1.18 0.06 0.36 1.48 -0.99 -1.01 118.94 123.42 1quw s TRP 25 Ca 0.37 -1.34 0.01 0.00 -1.06 0.00 0.00 56.10 54.08 1quw s TRP 25 Cb -0.12 -0.41 -0.03 0.00 -1.16 0.00 0.00 33.47 31.75 1quw s TRP 25 CO 0.18 -0.84 -0.06 0.00 -4.06 0.00 0.00 176.95 172.17 1quw s ALA 26 N -3.77 0.64 0.12 2.67 0.00 -1.26 -2.29 121.76 117.87 1quw s ALA 26 Ca 0.36 -1.00 0.23 0.00 0.00 0.00 0.00 51.96 51.54 1quw s ALA 26 Cb 0.03 0.13 0.83 0.00 0.00 0.00 0.00 23.12 24.12 1quw s ALA 26 CO 0.17 -0.16 1.79 0.00 0.00 0.00 0.00 175.76 177.56 1quw h ALA 27 N 3.82 1.00 -0.04 0.00 0.00 -2.01 -2.48 119.26 119.55 1quw h ALA 27 Ca -0.35 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1quw h ALA 27 Cb 1.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1quw h ALA 27 CO 0.52 0.32 0.00 -2.67 0.00 0.00 0.00 179.25 177.43 1quw n TRP 28 N -3.41 0.04 -2.10 0.00 4.27 -1.26 -4.96 117.44 110.02 1quw n TRP 28 Ca 0.00 -0.02 -0.33 0.00 -3.89 0.00 0.00 57.50 53.26 1quw n TRP 28 Cb 0.46 0.00 0.01 0.00 -1.36 0.00 0.00 31.31 30.42 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 -0.57 -0.79 0.00 0.00 0.00 -1.26 -4.51 105.19 98.07 1quw n GLY 30 Ca 0.10 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.55 0.36 0.21 1.61 -0.04 -1.26 -2.41 135.00 128.91 1quw n PRO 31 Ca -0.10 0.08 0.10 0.00 -0.04 0.00 0.00 63.50 63.54 1quw n PRO 31 Cb 0.37 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.11 -0.22 0.00 -0.00 -1.72 -2.30 114.38 110.25 1quw h ARG 33 Ca -0.00 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.98 59.40 1quw h ARG 33 Cb 0.97 -0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.92 1quw h ARG 33 CO 0.02 0.35 -0.05 0.52 0.00 0.00 0.00 179.97 180.81 1quw h MET 34 N 0.10 0.42 -0.00 0.04 2.86 -1.70 -2.45 114.93 114.20 1quw h MET 34 Ca 0.02 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1quw h MET 34 Cb 0.49 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1quw h MET 34 CO 0.03 0.66 -0.04 0.00 1.06 0.00 0.00 176.91 178.63 1quw n MET 35 N -4.60 0.76 -0.25 1.72 0.00 -1.23 -4.16 117.12 109.36 1quw n MET 35 Ca -0.04 -0.14 0.01 0.00 0.00 0.00 0.00 57.70 57.52 1quw n MET 35 Cb 0.29 -1.50 0.08 0.00 0.00 0.00 0.00 33.22 32.09 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 3.71 0.43 0.01 3.17 0.00 -0.90 -1.48 119.26 124.20 1quw h ALA 36 Ca 0.00 0.28 -0.23 0.00 0.00 0.00 0.00 54.91 54.95 1quw h ALA 36 Cb 0.24 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1quw h ALA 36 CO 0.00 -0.44 -0.96 -1.00 0.00 0.00 0.00 179.25 176.85 1quw h PRO 37 N -0.02 0.43 -0.34 0.00 0.13 -1.76 -3.13 132.00 127.31 1quw h PRO 37 Ca 0.34 -0.47 -0.06 0.00 -0.87 0.00 0.00 66.00 64.94 1quw h PRO 37 Cb 0.54 0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.79 1quw h PRO 37 CO -0.75 1.13 -0.05 -0.39 -0.23 0.00 0.00 178.00 177.71 1quw h VAL 38 N 0.24 1.22 -0.49 1.56 -1.51 -1.67 -1.27 116.25 114.33 1quw h VAL 38 Ca -0.09 -0.91 -0.13 0.00 -1.23 0.00 0.00 66.70 64.35 1quw h VAL 38 Cb 1.60 1.01 -0.01 0.00 -2.13 0.00 0.00 31.29 31.76 1quw h VAL 38 CO 0.17 0.31 -0.20 -0.07 -1.23 0.00 0.00 177.57 176.54 1quw h LEU 39 N 0.53 1.03 -0.93 4.19 3.38 -1.33 0.59 115.31 122.77 1quw h LEU 39 Ca 0.11 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 1quw h LEU 39 Cb 0.41 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1quw h LEU 39 CO 0.02 1.19 0.04 -0.33 0.09 0.00 0.00 178.44 179.45 1quw h GLU 40 N 0.86 0.83 -0.03 1.13 4.39 -1.43 0.17 114.58 120.50 1quw h GLU 40 Ca 0.11 -0.21 -0.09 0.00 0.34 0.00 0.00 59.36 59.52 1quw h GLU 40 Cb 0.78 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1quw h GLU 40 CO 0.07 0.80 -0.42 0.93 -1.16 0.00 0.00 179.01 179.23 1quw h GLU 41 N 0.78 0.05 -0.14 2.33 5.08 -0.88 -2.88 114.58 118.93 1quw h GLU 41 Ca 0.16 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 1quw h GLU 41 Cb 0.41 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1quw h GLU 41 CO 0.01 0.46 -0.47 0.35 -1.00 0.00 0.00 179.01 178.37 1quw h PHE 42 N 0.05 0.74 0.00 4.33 3.57 0.12 -2.08 116.94 123.67 1quw h PHE 42 Ca 0.00 -0.30 -0.04 0.00 3.53 0.00 0.00 57.97 61.16 1quw h PHE 42 Cb 0.76 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1quw h PHE 42 CO 0.00 1.07 -0.18 0.00 -2.23 0.00 0.00 178.31 176.98 1quw h ALA 43 N 0.52 1.13 0.00 2.41 0.00 -0.73 -2.03 119.26 120.57 1quw h ALA 43 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1quw h ALA 43 Cb 1.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1quw h ALA 43 CO 0.10 0.22 -0.54 0.39 0.00 0.00 0.00 179.25 179.42 1quw n GLU 44 N -3.49 0.14 -0.05 0.00 1.02 -1.09 -1.34 120.64 115.83 1quw n GLU 44 Ca -0.01 0.04 -0.08 0.00 -0.02 0.00 0.00 57.16 57.09 1quw n GLU 44 Cb 0.34 -1.59 -0.07 0.00 -0.02 0.00 0.00 31.44 30.10 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 2.77 -0.03 0.02 0.62 0.00 -0.67 -3.41 119.26 118.57 1quw h ALA 45 Ca 0.00 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.43 1quw h ALA 45 Cb 0.62 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1quw h ALA 45 CO 0.00 -0.04 -1.15 0.45 0.00 0.00 0.00 179.25 178.52 1quw h HIS 46 N -0.98 0.08 0.00 0.00 3.86 -1.60 -3.47 115.15 113.03 1quw h HIS 46 Ca -0.00 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1quw h HIS 46 Cb 0.55 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.01 1quw h HIS 46 CO 0.15 1.45 0.00 0.00 0.86 0.00 0.00 177.93 180.38 1quw n ALA 47 N -3.23 0.00 1.39 2.45 0.00 -0.45 -2.21 120.51 118.46 1quw n ALA 47 Ca -0.28 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.29 1quw n ALA 47 Cb 0.70 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.87 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 4.78 0.00 -0.03 0.00 2.03 -1.26 -3.17 116.55 118.90 1quw n ASP 48 Ca 0.00 -0.25 -0.15 0.00 0.52 0.00 0.00 54.79 54.91 1quw n ASP 48 Cb 0.00 -0.23 -0.14 0.00 -0.72 0.00 0.00 41.12 40.03 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 -1.23 0.69 -3.49 -0.67 3.00 -0.94 -4.96 118.16 110.57 1quw n LYS 49 Ca 0.15 0.24 -0.21 0.00 -0.00 0.00 0.00 58.31 58.49 1quw n LYS 49 Cb 0.20 -1.70 -0.02 0.00 0.00 0.00 0.00 35.03 33.50 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 -2.56 2.61 -0.43 3.15 -7.23 -1.19 -4.71 120.40 110.04 1quw s VAL 50 Ca -0.15 -1.29 0.02 0.00 -1.81 0.00 0.00 61.98 58.74 1quw s VAL 50 Cb 0.07 -2.91 0.13 0.00 0.56 0.00 0.00 36.38 34.24 1quw s VAL 50 CO 0.78 0.00 0.23 -0.89 -0.31 0.00 0.00 175.10 174.91 1quw s THR 51 N -2.49 1.28 -0.74 5.32 2.01 -1.24 -4.70 115.64 115.08 1quw s THR 51 Ca 0.49 -2.45 -0.27 0.00 0.31 0.00 0.00 61.69 59.77 1quw s THR 51 Cb -0.04 -1.90 0.02 0.00 0.01 0.00 0.00 72.50 70.60 1quw s THR 51 CO 0.29 -0.90 1.36 -0.69 -0.69 0.00 0.00 174.62 173.99 1quw s VAL 52 N 0.45 3.69 0.58 3.82 1.01 -1.26 -1.69 120.40 126.99 1quw s VAL 52 Ca 0.17 0.32 0.07 0.00 0.00 0.00 0.00 61.98 62.55 1quw s VAL 52 Cb -0.24 -4.81 0.07 0.00 0.00 0.00 0.00 36.38 31.40 1quw s VAL 52 CO 0.00 -1.75 0.60 0.00 0.00 0.00 0.00 175.10 173.95 1quw s ALA 53 N 6.12 4.61 -0.19 5.51 0.00 0.70 -1.26 121.76 137.25 1quw s ALA 53 Ca 0.40 -1.63 -0.04 0.00 0.00 0.00 0.00 51.96 50.68 1quw s ALA 53 Cb -0.08 -1.05 0.08 0.00 0.00 0.00 0.00 23.12 22.07 1quw s ALA 53 CO 0.14 -0.69 0.15 0.15 0.00 0.00 0.00 175.76 175.52 1quw s LYS 54 N -4.49 0.13 -0.16 0.00 -0.14 -0.42 -1.44 119.74 113.22 1quw s LYS 54 Ca 0.46 0.01 -0.07 0.00 -1.36 0.00 0.00 55.97 55.02 1quw s LYS 54 Cb -0.04 -1.52 -0.04 0.00 -1.68 0.00 0.00 37.83 34.55 1quw s LYS 54 CO 0.29 -0.69 0.07 -1.17 -0.76 0.00 0.00 175.35 173.09 1quw s LEU 55 N 2.22 3.90 -0.35 3.17 2.96 -1.03 -1.25 118.68 128.30 1quw s LEU 55 Ca 0.05 0.17 -0.25 0.00 -0.22 0.00 0.00 54.13 53.87 1quw s LEU 55 Cb -0.16 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 44.58 1quw s LEU 55 CO -0.12 0.25 0.88 0.20 -1.32 0.00 0.00 176.35 176.24 1quw s ASN 56 N -0.09 6.67 0.48 3.68 -0.87 -1.26 -2.34 114.94 121.20 1quw s ASN 56 Ca 0.07 0.58 0.22 0.00 -1.57 0.00 0.00 52.86 52.16 1quw s ASN 56 Cb -0.12 -2.44 1.22 0.00 -0.02 0.00 0.00 41.25 39.88 1quw s ASN 56 CO 0.01 -0.78 2.01 -0.37 -2.57 0.00 0.00 177.10 175.40 1quw h VAL 57 N 5.75 0.81 -0.04 1.60 -1.51 -1.69 0.22 116.25 121.39 1quw h VAL 57 Ca -0.24 -0.68 -0.02 0.00 -1.23 0.00 0.00 66.70 64.54 1quw h VAL 57 Cb 1.08 1.40 -0.00 0.00 -2.13 0.00 0.00 31.29 31.64 1quw h VAL 57 CO 0.95 0.17 -0.05 -0.78 -1.23 0.00 0.00 177.57 176.63 1quw h ASP 58 N 0.00 0.11 0.78 4.19 1.82 -1.91 -3.33 116.42 118.09 1quw h ASP 58 Ca -0.00 -0.52 -0.23 0.00 -0.39 0.00 0.00 57.03 55.90 1quw h ASP 58 Cb 0.39 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.35 1quw h ASP 58 CO 0.02 0.60 -1.05 -0.08 -1.61 0.00 0.00 179.24 177.13 1quw h GLU 59 N -0.38 0.13 -4.13 0.28 4.81 -1.91 -3.42 114.58 109.96 1quw h GLU 59 Ca 0.00 -0.20 -0.66 0.00 -0.13 0.00 0.00 59.36 58.37 1quw h GLU 59 Cb 0.58 0.07 -0.39 0.00 0.63 0.00 0.00 28.75 29.64 1quw h GLU 59 CO 0.01 1.06 -0.63 -0.80 -0.73 0.00 0.00 179.01 177.91 1quw s ASN 60 N -6.91 4.73 0.00 1.04 0.01 0.75 -4.93 114.94 109.64 1quw s ASN 60 Ca -0.02 -2.49 0.22 0.00 -0.71 0.00 0.00 52.86 49.87 1quw s ASN 60 Cb 0.09 -1.68 0.63 0.00 0.41 0.00 0.00 41.25 40.70 1quw s ASN 60 CO 0.84 -0.35 1.53 -0.81 -1.51 0.00 0.00 177.10 176.80 1quw n PRO 61 N 3.85 2.73 -0.08 -0.60 -0.04 -1.26 -4.44 135.00 135.15 1quw n PRO 61 Ca 0.04 -2.64 -0.21 0.00 -0.04 0.00 0.00 63.50 60.66 1quw n PRO 61 Cb 0.38 -1.56 -0.12 0.00 -0.04 0.00 0.00 33.50 32.16 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 4.23 0.04 0.00 0.54 -0.00 -1.93 -3.26 114.58 114.20 1quw h GLU 62 Ca 0.00 -0.07 -0.14 0.00 -0.00 0.00 0.00 59.36 59.16 1quw h GLU 62 Cb 0.98 0.03 -0.02 0.00 -0.00 0.00 0.00 28.75 29.74 1quw h GLU 62 CO 0.00 1.03 -0.65 0.00 -0.00 0.00 0.00 179.01 179.39 1quw h THR 63 N -0.87 1.13 0.00 -1.06 1.03 -1.91 -2.51 112.91 108.72 1quw h THR 63 Ca -0.30 -2.56 -0.04 0.00 -0.01 0.00 0.00 66.41 63.50 1quw h THR 63 Cb 1.35 2.53 -0.01 0.00 -1.07 0.00 0.00 68.15 70.96 1quw h THR 63 CO -0.14 0.64 -0.20 0.00 -0.01 0.00 0.00 175.52 175.81 1quw h THR 64 N 0.00 0.61 0.00 0.00 1.03 -1.78 -1.95 112.91 110.82 1quw h THR 64 Ca -0.01 -0.91 -0.16 0.00 -0.01 0.00 0.00 66.41 65.32 1quw h THR 64 Cb 1.48 1.59 -0.03 0.00 -1.07 0.00 0.00 68.15 70.13 1quw h THR 64 CO 0.08 0.19 -0.98 -1.28 -0.01 0.00 0.00 175.52 173.53 1quw h SER 65 N 0.00 0.00 -0.01 0.00 0.87 -1.58 -1.30 113.55 111.54 1quw h SER 65 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1quw h SER 65 Cb 0.58 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1quw h SER 65 CO 0.03 0.69 0.01 -0.61 -0.53 0.00 0.00 176.83 176.41 1quw h GLN 66 N 0.00 0.02 0.03 2.24 4.15 -0.92 -3.24 115.11 117.39 1quw h GLN 66 Ca -0.08 -0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.07 1quw h GLN 66 Cb 1.59 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 29.25 1quw h GLN 66 CO 0.08 0.16 -1.42 0.74 -1.93 0.00 0.00 178.83 176.46 1quw h PHE 67 N -0.13 0.11 -2.03 3.99 0.04 -1.55 -3.49 116.94 113.89 1quw h PHE 67 Ca 0.00 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.69 1quw h PHE 67 Cb 0.15 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.29 1quw h PHE 67 CO -0.03 1.10 0.00 0.41 -0.60 0.00 0.00 178.31 179.20 1quw n GLY 68 N 1.51 -0.15 3.50 -1.45 0.00 -0.57 -4.99 105.19 103.04 1quw n GLY 68 Ca -0.11 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.27 4.50 -2.15 -0.61 -1.09 -0.70 -4.87 121.20 115.00 1quw s ILE 69 Ca 0.00 0.06 0.22 0.00 -2.23 0.00 0.00 60.65 58.70 1quw s ILE 69 Cb 0.00 -4.49 0.03 0.00 -1.58 0.00 0.00 42.46 36.41 1quw s ILE 69 CO 0.00 -1.07 1.09 0.23 -1.23 0.00 0.00 174.94 173.97 1quw n MET 70 N 7.18 1.44 -3.15 2.79 2.81 -1.26 -4.83 117.12 122.10 1quw n MET 70 Ca -0.01 -1.15 0.04 0.00 -1.81 0.00 0.00 57.70 54.77 1quw n MET 70 Cb 0.47 -1.46 -0.01 0.00 -0.71 0.00 0.00 33.22 31.52 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 -2.33 -1.47 0.34 7.83 0.15 -1.26 -5.15 113.70 111.81 1quw s SER 71 Ca 0.20 0.50 -0.15 0.00 0.70 0.00 0.00 55.95 57.20 1quw s SER 71 Cb 0.18 2.08 -0.09 0.00 -1.71 0.00 0.00 66.02 66.48 1quw s SER 71 CO 0.51 -0.28 0.75 0.27 1.20 0.00 0.00 173.24 175.69 1quw s ILE 72 N 2.84 4.67 0.26 6.45 -5.25 -1.26 -3.91 121.20 125.00 1quw s ILE 72 Ca 0.15 0.94 -0.28 0.00 -0.99 0.00 0.00 60.65 60.48 1quw s ILE 72 Cb -0.12 -3.62 -0.09 0.00 2.95 0.00 0.00 42.46 41.57 1quw s ILE 72 CO -0.24 -0.23 0.92 -2.16 -1.79 0.00 0.00 174.94 171.44 1quw s PRO 73 N -3.10 4.72 -0.20 0.37 0.04 -1.26 -4.76 135.00 130.81 1quw s PRO 73 Ca 0.54 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1quw s PRO 73 Cb -0.10 -3.11 0.02 0.00 0.04 0.00 0.00 34.50 31.35 1quw s PRO 73 CO 0.19 0.44 -0.15 0.99 0.04 0.00 0.00 177.00 178.51 1quw s THR 74 N -1.33 2.35 -0.26 1.26 2.01 -0.18 -0.81 115.64 118.68 1quw s THR 74 Ca 0.44 -0.99 -0.15 0.00 0.31 0.00 0.00 61.69 61.30 1quw s THR 74 Cb -0.23 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 1quw s THR 74 CO 0.28 0.40 0.38 -0.76 -0.69 0.00 0.00 174.62 174.24 1quw s LEU 75 N 1.29 4.06 -0.08 4.42 2.01 -0.50 -0.36 118.68 129.53 1quw s LEU 75 Ca 0.03 0.33 0.01 0.00 0.01 0.00 0.00 54.13 54.50 1quw s LEU 75 Cb -0.15 -2.44 0.02 0.00 0.01 0.00 0.00 46.19 43.63 1quw s LEU 75 CO -0.10 -0.17 -0.08 -0.63 1.01 0.00 0.00 176.35 176.38 1quw s ILE 76 N 1.95 0.94 -0.25 -0.59 1.01 -0.76 -2.51 121.20 120.99 1quw s ILE 76 Ca 0.16 -0.31 -0.14 0.00 0.00 0.00 0.00 60.65 60.35 1quw s ILE 76 Cb -0.16 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 1quw s ILE 76 CO 0.09 0.33 0.34 -0.22 0.00 0.00 0.00 174.94 175.49 1quw s LEU 77 N 1.12 4.07 0.11 2.97 1.98 -1.13 -1.12 118.68 126.68 1quw s LEU 77 Ca -0.07 0.29 0.05 0.00 -2.89 0.00 0.00 54.13 51.51 1quw s LEU 77 Cb -0.14 -2.39 -0.04 0.00 0.66 0.00 0.00 46.19 44.28 1quw s LEU 77 CO -0.01 -0.13 0.06 -0.36 -1.89 0.00 0.00 176.35 174.02 1quw s PHE 78 N 1.80 3.08 0.08 5.38 0.08 -0.48 -0.11 117.98 127.82 1quw s PHE 78 Ca 0.14 -0.00 -0.00 0.00 0.12 0.00 0.00 56.93 57.19 1quw s PHE 78 Cb -0.15 -1.54 -0.00 0.00 -0.57 0.00 0.00 43.02 40.76 1quw s PHE 78 CO 0.09 0.51 -0.00 1.17 -0.10 0.00 0.00 175.22 176.89 1quw n LYS 79 N 0.23 0.00 -2.85 0.44 0.00 -1.17 -0.33 118.16 114.48 1quw n LYS 79 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.09 1quw n LYS 79 Cb 0.53 -0.43 0.01 0.00 0.00 0.00 0.00 35.03 35.13 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 3.48 2.52 1.08 3.14 0.00 -1.25 -4.08 105.19 110.07 1quw n GLY 80 Ca -0.00 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 0.04 1.05 3.54 -0.02 0.00 -1.00 -4.81 105.19 103.98 1quw n GLY 81 Ca 0.16 -0.48 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.74 0.56 -0.28 1.61 3.00 -1.26 -5.05 118.95 114.79 1quw s ARG 82 Ca 0.00 1.35 -0.29 0.00 -1.00 0.00 0.00 55.73 55.79 1quw s ARG 82 Cb 0.00 0.78 -0.01 0.00 0.00 0.00 0.00 34.95 35.72 1quw s ARG 82 CO 0.00 -0.28 1.53 -1.25 0.00 0.00 0.00 175.30 175.31 1quw s PRO 83 N 2.87 3.73 0.03 5.12 0.04 -1.26 -3.04 135.00 142.49 1quw s PRO 83 Ca -0.01 1.42 -0.20 0.00 0.04 0.00 0.00 61.00 62.25 1quw s PRO 83 Cb -0.13 -4.02 -0.16 0.00 0.04 0.00 0.00 34.50 30.23 1quw s PRO 83 CO -0.19 -1.37 1.28 -0.39 0.04 0.00 0.00 177.00 176.37 1quw h VAL 84 N 6.24 1.38 -3.56 -0.36 -1.51 -0.88 -3.46 116.25 114.11 1quw h VAL 84 Ca -0.31 -1.49 -0.17 0.00 -1.23 0.00 0.00 66.70 63.50 1quw h VAL 84 Cb 1.13 2.06 -0.24 0.00 -2.13 0.00 0.00 31.29 32.12 1quw h VAL 84 CO 1.03 0.43 -0.57 -0.54 -1.23 0.00 0.00 177.57 176.69 1quw s LYS 85 N -4.02 0.29 -0.23 5.19 1.02 -1.25 -5.04 119.74 115.70 1quw s LYS 85 Ca -0.14 -0.17 0.01 0.00 0.02 0.00 0.00 55.97 55.69 1quw s LYS 85 Cb 0.05 0.12 0.06 0.00 -0.52 0.00 0.00 37.83 37.54 1quw s LYS 85 CO 0.76 -0.06 -0.07 -1.14 -0.92 0.00 0.00 175.35 173.93 1quw s GLN 86 N -0.72 1.77 0.09 1.68 0.74 -1.26 -2.82 119.66 119.14 1quw s GLN 86 Ca -0.08 -0.99 0.09 0.00 0.05 0.00 0.00 55.36 54.44 1quw s GLN 86 Cb -0.05 -2.57 -0.03 0.00 1.10 0.00 0.00 33.01 31.45 1quw s GLN 86 CO 0.00 -0.56 -0.25 -0.48 -0.55 0.00 0.00 175.29 173.46 1quw s LEU 87 N 1.37 2.26 0.11 3.68 0.05 -1.04 -5.04 118.68 120.07 1quw s LEU 87 Ca -0.05 -0.67 0.01 0.00 0.05 0.00 0.00 54.13 53.47 1quw s LEU 87 Cb -0.18 -1.12 -0.04 0.00 -2.05 0.00 0.00 46.19 42.79 1quw s LEU 87 CO -0.06 0.17 -0.03 0.27 -0.55 0.00 0.00 176.35 176.15 1quw s ILE 88 N -0.99 0.52 0.00 1.48 -0.00 -1.26 -1.41 121.20 119.53 1quw s ILE 88 Ca 0.11 -1.92 0.00 0.00 -0.00 0.00 0.00 60.65 58.84 1quw s ILE 88 Cb -0.10 -1.81 0.00 0.00 -0.00 0.00 0.00 42.46 40.55 1quw s ILE 88 CO 0.04 -0.75 0.00 0.61 -0.00 0.00 0.00 174.94 174.85 1quw n GLY 89 N -0.07 -2.38 3.69 6.27 0.00 0.01 -4.85 105.19 107.87 1quw n GLY 89 Ca -0.10 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.31 3.54 -0.06 1.61 5.04 -1.26 -4.72 117.35 121.19 1quw s TYR 90 Ca 0.00 1.54 -0.02 0.00 -2.44 0.00 0.00 57.07 56.15 1quw s TYR 90 Cb 0.00 -3.11 0.04 0.00 0.35 0.00 0.00 41.96 39.24 1quw s TYR 90 CO 0.00 -0.15 0.11 1.14 -1.34 0.00 0.00 175.55 175.32 1quw s GLN 91 N 1.67 -0.00 1.22 4.97 -2.07 -1.26 -5.10 119.66 119.09 1quw s GLN 91 Ca 0.47 0.44 -0.16 0.00 -1.82 0.00 0.00 55.36 54.29 1quw s GLN 91 Cb -0.19 -0.33 0.27 0.00 -1.09 0.00 0.00 33.01 31.67 1quw s GLN 91 CO 0.20 -0.28 0.75 -2.30 -1.32 0.00 0.00 175.29 172.34 1quw n PRO 92 N 5.04 -2.75 -0.31 9.60 -0.02 -1.26 -4.56 135.00 140.74 1quw n PRO 92 Ca -0.10 -0.79 0.10 0.00 -2.02 0.00 0.00 63.50 60.70 1quw n PRO 92 Cb 0.50 -2.00 0.27 0.00 -0.02 0.00 0.00 33.50 32.25 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 -2.75 0.56 -0.01 -0.52 3.64 -1.99 -0.22 116.57 115.29 1quw h LYS 93 Ca -0.58 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 58.72 1quw h LYS 93 Cb 1.33 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1quw h LYS 93 CO 0.43 0.37 -0.24 0.93 -2.27 0.00 0.00 179.45 178.68 1quw h GLU 94 N 0.58 0.01 -0.14 1.90 5.08 -1.99 0.37 114.58 120.40 1quw h GLU 94 Ca 0.52 -0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.68 1quw h GLU 94 Cb 0.83 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.09 1quw h GLU 94 CO -0.42 0.25 -0.65 1.96 -1.00 0.00 0.00 179.01 179.15 1quw h GLN 95 N 0.01 0.68 0.42 2.33 1.08 -1.38 -2.60 115.11 115.66 1quw h GLN 95 Ca 0.00 -0.55 -0.01 0.00 -1.45 0.00 0.00 58.65 56.64 1quw h GLN 95 Cb 0.43 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 1quw h GLN 95 CO 0.03 1.17 -0.32 -0.07 -0.95 0.00 0.00 178.83 178.69 1quw h LEU 96 N 0.37 -0.84 -0.57 1.46 -0.00 -0.47 -2.11 115.31 113.15 1quw h LEU 96 Ca -0.04 0.06 0.04 0.00 -0.00 0.00 0.00 57.88 57.94 1quw h LEU 96 Cb 1.29 0.27 -0.05 0.00 -0.00 0.00 0.00 40.66 42.17 1quw h LEU 96 CO 0.14 -0.48 0.32 -0.33 -0.00 0.00 0.00 178.44 178.08 1quw h GLU 97 N -0.74 0.59 -0.07 1.13 5.08 -0.33 0.39 114.58 120.63 1quw h GLU 97 Ca -0.04 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1quw h GLU 97 Cb 0.63 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1quw h GLU 97 CO 0.00 0.39 -0.04 0.00 -1.00 0.00 0.00 179.01 178.36 1quw h ALA 98 N 1.29 0.03 0.08 3.43 0.00 -1.49 0.21 119.26 122.81 1quw h ALA 98 Ca 0.25 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1quw h ALA 98 Cb 0.11 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1quw h ALA 98 CO -0.15 -0.51 -0.20 0.37 0.00 0.00 0.00 179.25 178.77 1quw h GLN 99 N -0.04 -0.35 -0.00 0.00 5.75 -0.54 -3.12 115.11 116.82 1quw h GLN 99 Ca 0.04 0.02 -0.16 0.00 -0.15 0.00 0.00 58.65 58.40 1quw h GLN 99 Cb 0.10 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 1quw h GLN 99 CO -0.10 -0.23 -0.77 -0.07 -2.65 0.00 0.00 178.83 175.01 1quw h LEU 100 N -0.36 0.04 -1.83 -2.39 -0.00 -0.14 -3.11 115.31 107.52 1quw h LEU 100 Ca 0.04 -0.03 0.13 0.00 -0.00 0.00 0.00 57.88 58.01 1quw h LEU 100 Cb 0.39 -0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 41.01 1quw h LEU 100 CO -0.13 0.79 0.38 0.00 -0.00 0.00 0.00 178.44 179.48 1quw h ALA 101 N 1.21 2.27 -0.17 1.53 0.00 -0.51 0.13 119.26 123.72 1quw h ALA 101 Ca -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1quw h ALA 101 Cb 1.36 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1quw h ALA 101 CO 0.10 -0.42 -0.05 0.22 0.00 0.00 0.00 179.25 179.11 1quw h ASP 102 N 0.18 0.33 1.27 0.00 3.58 -1.56 -3.13 116.42 117.09 1quw h ASP 102 Ca 0.26 -0.37 -0.12 0.00 0.42 0.00 0.00 57.03 57.22 1quw h ASP 102 Cb 0.79 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.73 1quw h ASP 102 CO -0.04 0.63 -0.76 -0.37 -2.88 0.00 0.00 179.24 175.82 1quw h VAL 103 N 0.03 0.73 0.00 2.25 -1.51 -1.41 -3.32 116.25 113.01 1quw h VAL 103 Ca 0.04 -2.10 -0.18 0.00 -1.23 0.00 0.00 66.70 63.22 1quw h VAL 103 Cb 0.49 2.28 -0.03 0.00 -2.13 0.00 0.00 31.29 31.90 1quw h VAL 103 CO 0.02 0.41 -0.88 -0.07 -1.23 0.00 0.00 177.57 175.82 1quw h LEU 104 N 0.00 0.00 0.00 4.19 3.38 -0.87 -3.48 115.31 118.53 1quw h LEU 104 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1quw h LEU 104 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1quw h LEU 104 CO 0.06 0.88 0.00 0.00 0.09 0.00 0.00 178.44 179.47