#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 4.83 0.48 0.00 -4.23 -1.26 -4.87 115.64 110.59 1quw s THR 2 Ca 0.00 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 1quw s THR 2 Cb 0.00 -3.81 0.01 0.00 1.34 0.00 0.00 72.50 70.04 1quw s THR 2 CO 0.00 -0.67 0.71 -0.32 -0.54 0.00 0.00 174.62 173.80 1quw s MET 3 N -4.57 2.94 -0.06 3.99 -2.45 -0.80 -4.99 119.30 113.37 1quw s MET 3 Ca 0.45 -0.54 -0.02 0.00 -1.25 0.00 0.00 55.69 54.33 1quw s MET 3 Cb -0.10 -2.53 0.03 0.00 1.25 0.00 0.00 34.83 33.49 1quw s MET 3 CO 0.41 -0.39 0.07 0.99 1.05 0.00 0.00 175.02 177.15 1quw s THR 4 N -2.62 -0.12 0.58 10.11 2.01 -1.26 -0.90 115.64 123.42 1quw s THR 4 Ca 0.51 0.37 0.07 0.00 0.31 0.00 0.00 61.69 62.95 1quw s THR 4 Cb -0.10 -0.20 0.07 0.00 0.01 0.00 0.00 72.50 72.28 1quw s THR 4 CO 0.38 0.13 0.62 0.18 -0.69 0.00 0.00 174.62 175.25 1quw n LEU 5 N 5.30 0.00 -3.47 4.42 4.77 -0.47 -4.83 117.00 122.73 1quw n LEU 5 Ca -0.04 -2.73 -0.13 0.00 -0.03 0.00 0.00 56.01 53.08 1quw n LEU 5 Cb 0.50 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1quw n LEU 5 CO 0.06 -0.66 0.47 0.28 -1.33 0.00 0.00 177.39 176.22 1quw s THR 6 N -2.72 0.00 0.27 -5.08 -1.32 -1.26 -4.45 115.64 101.08 1quw s THR 6 Ca 0.47 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 61.04 1quw s THR 6 Cb -0.04 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.26 1quw s THR 6 CO 0.30 0.00 1.25 -0.90 -2.21 0.00 0.00 174.62 173.06 1quw n ASP 7 N 0.04 0.09 0.00 8.08 5.75 -1.26 0.16 116.55 129.41 1quw n ASP 7 Ca -0.16 1.34 -0.08 0.00 -0.01 0.00 0.00 54.79 55.88 1quw n ASP 7 Cb 0.62 -0.57 -0.06 0.00 -1.03 0.00 0.00 41.12 40.08 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 1.59 -0.12 0.00 2.12 0.00 -2.01 -3.11 119.26 117.74 1quw h ALA 8 Ca 0.58 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 1quw h ALA 8 Cb 1.39 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1quw h ALA 8 CO -0.68 -0.15 -0.13 -0.97 0.00 0.00 0.00 179.25 177.32 1quw h ASN 9 N -0.96 0.00 0.15 0.00 -1.24 -1.61 -2.98 115.58 108.93 1quw h ASN 9 Ca -0.01 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 1quw h ASN 9 Cb 0.46 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.51 1quw h ASN 9 CO 0.02 0.13 -0.07 0.15 -1.29 0.00 0.00 177.43 176.37 1quw h PHE 10 N 0.00 -0.18 0.00 0.67 3.57 0.14 0.20 116.94 121.34 1quw h PHE 10 Ca -0.00 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 1quw h PHE 10 Cb 0.56 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 1quw h PHE 10 CO 0.00 0.05 -0.36 1.96 -2.23 0.00 0.00 178.31 177.73 1quw h GLN 11 N -0.40 0.00 0.00 1.11 1.08 -1.50 -1.38 115.11 114.02 1quw h GLN 11 Ca -0.02 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.07 1quw h GLN 11 Cb 0.32 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 1quw h GLN 11 CO 0.03 0.36 -0.54 0.37 -0.95 0.00 0.00 178.83 178.10 1quw h GLN 12 N 0.00 0.00 0.10 1.46 4.15 -1.40 -2.78 115.11 116.64 1quw h GLN 12 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 1quw h GLN 12 Cb 0.67 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.37 1quw h GLN 12 CO 0.05 0.54 -0.05 0.00 -1.93 0.00 0.00 178.83 177.44 1quw h ALA 13 N 1.46 -0.13 -0.02 3.38 0.00 0.21 -3.10 119.26 121.06 1quw h ALA 13 Ca -0.01 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.45 1quw h ALA 13 Cb 1.23 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1quw h ALA 13 CO 0.07 -0.24 -0.82 -0.84 0.00 0.00 0.00 179.25 177.42 1quw h ILE 14 N -0.80 1.45 0.00 0.00 3.07 -1.39 -3.01 117.51 116.82 1quw h ILE 14 Ca -0.01 -2.42 -0.01 0.00 1.55 0.00 0.00 64.86 63.97 1quw h ILE 14 Cb 0.57 2.33 -0.00 0.00 -0.27 0.00 0.00 36.82 39.45 1quw h ILE 14 CO 0.02 0.71 -0.03 1.56 -1.05 0.00 0.00 178.15 179.36 1quw h GLN 15 N 0.16 0.00 0.00 0.16 1.08 -1.64 -2.39 115.11 112.47 1quw h GLN 15 Ca -0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1quw h GLN 15 Cb 1.42 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.85 1quw h GLN 15 CO 0.13 0.03 0.00 0.41 -0.95 0.00 0.00 178.83 178.45 1quw n GLY 16 N 0.42 -2.98 1.06 3.46 0.00 -1.14 -4.83 105.19 101.19 1quw n GLY 16 Ca 0.02 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.56 0.00 -4.97 1.61 5.75 -1.26 -5.05 116.55 112.07 1quw n ASP 17 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 54.79 54.56 1quw n ASP 17 Cb 0.00 0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 1quw n ASP 17 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1quw s LYS 18 N -1.69 3.14 0.51 0.11 -2.85 -1.26 -4.58 119.74 113.12 1quw s LYS 18 Ca 0.00 -0.67 -0.23 0.00 -1.00 0.00 0.00 55.97 54.07 1quw s LYS 18 Cb 0.00 -2.68 -0.06 0.00 -2.06 0.00 0.00 37.83 33.03 1quw s LYS 18 CO 0.00 -0.08 1.33 -2.30 0.10 0.00 0.00 175.35 174.41 1quw n PRO 19 N -1.86 1.80 -3.63 1.78 -0.02 -1.26 -4.76 135.00 127.05 1quw n PRO 19 Ca -0.00 0.66 -0.11 0.00 -2.02 0.00 0.00 63.50 62.03 1quw n PRO 19 Cb 0.58 -2.53 -0.11 0.00 -0.02 0.00 0.00 33.50 31.42 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 -1.27 -0.55 -0.06 -1.45 1.01 -0.84 -4.79 120.40 112.45 1quw s VAL 20 Ca 0.68 0.18 -0.27 0.00 0.00 0.00 0.00 61.98 62.57 1quw s VAL 20 Cb -0.44 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 1quw s VAL 20 CO 0.52 0.06 0.89 -0.22 0.00 0.00 0.00 175.10 176.35 1quw s LEU 21 N 2.53 4.30 -0.23 3.92 2.96 -0.88 -2.44 118.68 128.85 1quw s LEU 21 Ca 0.01 1.43 -0.08 0.00 -0.22 0.00 0.00 54.13 55.27 1quw s LEU 21 Cb -0.12 -3.38 -0.04 0.00 0.50 0.00 0.00 46.19 43.15 1quw s LEU 21 CO -0.11 -0.28 0.09 -0.69 -1.32 0.00 0.00 176.35 174.04 1quw s VAL 22 N 1.31 4.68 -0.46 1.68 1.01 0.14 -0.74 120.40 128.03 1quw s VAL 22 Ca 0.45 -0.06 -0.15 0.00 0.00 0.00 0.00 61.98 62.22 1quw s VAL 22 Cb -0.19 -3.17 0.06 0.00 0.00 0.00 0.00 36.38 33.09 1quw s VAL 22 CO 0.21 0.37 0.37 -1.81 0.00 0.00 0.00 175.10 174.24 1quw s ASP 23 N 1.17 6.13 -0.26 3.32 1.01 0.04 -1.41 116.67 126.66 1quw s ASP 23 Ca 0.05 -1.23 -0.26 0.00 0.71 0.00 0.00 52.55 51.83 1quw s ASP 23 Cb -0.14 -2.17 0.00 0.00 1.01 0.00 0.00 42.92 41.62 1quw s ASP 23 CO 0.04 -0.60 0.90 -0.36 0.21 0.00 0.00 175.17 175.36 1quw s PHE 24 N 1.65 3.27 0.36 4.23 0.08 0.48 -3.26 117.98 124.79 1quw s PHE 24 Ca 0.04 1.15 -0.06 0.00 0.12 0.00 0.00 56.93 58.19 1quw s PHE 24 Cb -0.23 -3.22 0.02 0.00 -0.57 0.00 0.00 43.02 39.02 1quw s PHE 24 CO 0.07 -0.50 0.57 1.67 -0.10 0.00 0.00 175.22 176.94 1quw s TRP 25 N 3.06 0.80 0.04 0.36 1.48 -1.21 -1.24 118.94 122.23 1quw s TRP 25 Ca 0.38 -1.17 -0.07 0.00 -1.06 0.00 0.00 56.10 54.18 1quw s TRP 25 Cb -0.15 0.19 -0.01 0.00 -1.16 0.00 0.00 33.47 32.35 1quw s TRP 25 CO 0.09 -1.28 0.14 0.00 -4.06 0.00 0.00 176.95 171.84 1quw s ALA 26 N -2.78 -0.18 0.20 2.67 0.00 -1.26 -3.20 121.76 117.21 1quw s ALA 26 Ca 0.26 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.79 1quw s ALA 26 Cb -0.02 0.28 0.12 0.00 0.00 0.00 0.00 23.12 23.50 1quw s ALA 26 CO 0.18 -0.35 1.47 0.00 0.00 0.00 0.00 175.76 177.06 1quw h ALA 27 N 3.50 0.68 0.00 0.00 0.00 -2.02 -2.86 119.26 118.56 1quw h ALA 27 Ca -0.32 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1quw h ALA 27 Cb 1.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1quw h ALA 27 CO 0.50 0.82 0.00 -2.67 0.00 0.00 0.00 179.25 177.90 1quw n TRP 28 N -3.77 0.00 -1.87 0.00 4.27 -1.26 -4.90 117.44 109.92 1quw n TRP 28 Ca -0.03 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.22 1quw n TRP 28 Cb 0.71 -0.14 0.05 0.00 -1.36 0.00 0.00 31.31 30.58 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 0.67 0.00 1.98 0.00 0.00 -1.90 -3.40 103.07 100.42 1quw h GLY 30 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1quw h GLY 30 CO 0.54 0.00 0.00 -1.55 0.00 0.00 0.00 176.54 175.53 1quw n PRO 31 N -3.17 0.01 0.23 4.80 -0.04 -1.26 -2.03 135.00 133.55 1quw n PRO 31 Ca -0.02 0.22 0.10 0.00 -0.04 0.00 0.00 63.50 63.76 1quw n PRO 31 Cb 0.08 -1.50 0.55 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 -1.62 -2.16 114.38 110.60 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 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.57 1quw h ARG 33 CO 0.03 0.22 -0.33 0.52 0.00 0.00 0.00 179.97 180.40 1quw h MET 34 N 0.00 0.00 0.00 0.04 2.86 -1.59 -1.51 114.93 114.73 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 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1quw h MET 34 CO 0.03 0.33 0.00 -1.33 1.06 0.00 0.00 176.91 177.00 1quw n MET 35 N -3.78 0.01 -0.19 1.72 2.81 -0.83 -4.20 117.12 112.67 1quw n MET 35 Ca -0.01 0.07 -0.04 0.00 -1.81 0.00 0.00 57.70 55.91 1quw n MET 35 Cb 0.42 -1.52 0.03 0.00 -0.71 0.00 0.00 33.22 31.44 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 2.86 0.13 0.00 3.04 0.00 -1.10 0.79 119.26 124.98 1quw h ALA 36 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1quw h ALA 36 Cb 0.45 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1quw h ALA 36 CO 0.00 -0.57 0.00 -0.35 0.00 0.00 0.00 179.25 178.33 1quw n PRO 37 N -5.43 0.87 -0.09 0.00 -0.04 -1.26 -3.12 135.00 125.93 1quw n PRO 37 Ca 0.05 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.34 1quw n PRO 37 Cb 0.34 -1.32 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 1quw n PRO 37 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1quw n VAL 38 N -0.82 1.05 -0.06 0.52 0.24 0.13 -4.36 118.33 115.03 1quw n VAL 38 Ca 0.13 -0.34 -0.04 0.00 -2.04 0.00 0.00 64.34 62.06 1quw n VAL 38 Cb 0.06 -1.44 0.18 0.00 -1.47 0.00 0.00 33.84 31.17 1quw n VAL 38 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1quw h LEU 39 N -0.34 0.66 -0.75 1.34 3.38 -1.22 0.30 115.31 118.69 1quw h LEU 39 Ca -0.45 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 1quw h LEU 39 Cb 1.53 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 42.07 1quw h LEU 39 CO -0.18 0.78 0.44 -0.33 0.09 0.00 0.00 178.44 179.25 1quw h GLU 40 N 0.62 1.02 0.00 1.13 4.39 -1.78 -0.70 114.58 119.26 1quw h GLU 40 Ca 0.11 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 1quw h GLU 40 Cb 0.52 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1quw h GLU 40 CO 0.03 0.73 -0.27 0.93 -1.16 0.00 0.00 179.01 179.27 1quw h GLU 41 N 1.02 0.00 0.02 2.33 5.08 -1.63 -3.16 114.58 118.24 1quw h GLU 41 Ca 0.27 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.53 1quw h GLU 41 Cb -0.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.24 1quw h GLU 41 CO -0.05 0.27 -0.40 0.35 -1.00 0.00 0.00 179.01 178.18 1quw h PHE 42 N 0.00 0.36 0.00 4.33 3.57 0.45 -0.93 116.94 124.72 1quw h PHE 42 Ca -0.00 -0.21 -0.06 0.00 3.53 0.00 0.00 57.97 61.23 1quw h PHE 42 Cb 0.90 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1quw h PHE 42 CO 0.00 1.05 -0.28 0.00 -2.23 0.00 0.00 178.31 176.84 1quw h ALA 43 N 0.23 1.43 0.00 2.41 0.00 -1.25 -0.62 119.26 121.45 1quw h ALA 43 Ca -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1quw h ALA 43 Cb 1.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1quw h ALA 43 CO 0.08 0.36 -0.29 0.39 0.00 0.00 0.00 179.25 179.78 1quw n GLU 44 N -4.05 0.11 0.11 0.00 -0.58 -1.19 -1.96 120.64 113.08 1quw n GLU 44 Ca -0.02 0.05 -0.07 0.00 -0.42 0.00 0.00 57.16 56.70 1quw n GLU 44 Cb 0.34 -1.59 -0.04 0.00 -0.57 0.00 0.00 31.44 29.59 1quw n GLU 44 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1quw h ALA 45 N 2.82 -0.38 0.00 0.62 0.00 0.33 -3.41 119.26 119.24 1quw h ALA 45 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1quw h ALA 45 Cb 0.59 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1quw h ALA 45 CO 0.00 -0.36 -0.05 0.45 0.00 0.00 0.00 179.25 179.29 1quw h HIS 46 N -1.07 0.00 0.00 0.00 3.86 -1.59 -3.46 115.15 112.88 1quw h HIS 46 Ca -0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1quw h HIS 46 Cb 0.35 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1quw h HIS 46 CO 0.02 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.81 1quw n ALA 47 N -2.57 0.00 0.52 2.45 0.00 -0.83 -3.86 120.51 116.23 1quw n ALA 47 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1quw n ALA 47 Cb 0.02 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.54 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 2.24 2.61 0.00 0.00 5.75 -1.26 -4.03 116.55 121.87 1quw n ASP 48 Ca 0.00 -2.29 0.00 0.00 -0.01 0.00 0.00 54.79 52.49 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 0.13 0.00 -3.69 0.11 3.00 -1.25 -5.10 118.16 111.36 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 0.62 -0.15 -0.05 0.00 0.00 0.00 0.00 35.03 35.44 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 -1.66 5.19 -0.76 3.15 0.11 -1.26 -5.03 120.40 120.15 1quw s VAL 50 Ca 0.00 0.09 0.01 0.00 -2.93 0.00 0.00 61.98 59.15 1quw s VAL 50 Cb 0.00 -3.62 0.19 0.00 -1.53 0.00 0.00 36.38 31.42 1quw s VAL 50 CO 0.00 0.14 0.59 -0.89 -3.33 0.00 0.00 175.10 171.60 1quw s THR 51 N -1.55 3.59 -0.77 5.04 2.01 -1.26 -4.54 115.64 118.16 1quw s THR 51 Ca 0.37 -3.85 -0.26 0.00 0.31 0.00 0.00 61.69 58.26 1quw s THR 51 Cb -0.13 -3.30 -0.01 0.00 0.01 0.00 0.00 72.50 69.07 1quw s THR 51 CO 0.22 -1.00 1.74 0.68 -0.69 0.00 0.00 174.62 175.57 1quw s VAL 52 N -1.13 3.52 0.51 3.82 -7.23 -1.26 -2.06 120.40 116.56 1quw s VAL 52 Ca 0.24 -0.06 0.08 0.00 -1.81 0.00 0.00 61.98 60.43 1quw s VAL 52 Cb -0.10 -4.26 0.05 0.00 0.56 0.00 0.00 36.38 32.63 1quw s VAL 52 CO -0.12 -1.21 0.69 0.00 -0.31 0.00 0.00 175.10 174.16 1quw s ALA 53 N 8.31 4.56 -0.24 1.32 0.00 0.09 -1.90 121.76 133.90 1quw s ALA 53 Ca 0.60 -1.87 -0.03 0.00 0.00 0.00 0.00 51.96 50.65 1quw s ALA 53 Cb -0.08 -1.59 0.08 0.00 0.00 0.00 0.00 23.12 21.53 1quw s ALA 53 CO 0.09 -0.61 0.09 0.15 0.00 0.00 0.00 175.76 175.49 1quw s LYS 54 N -4.54 0.36 -0.17 0.00 -0.14 -0.08 -0.78 119.74 114.39 1quw s LYS 54 Ca 0.59 -0.49 -0.04 0.00 -1.36 0.00 0.00 55.97 54.66 1quw s LYS 54 Cb -0.08 -1.69 -0.03 0.00 -1.68 0.00 0.00 37.83 34.35 1quw s LYS 54 CO 0.36 -0.84 -0.02 -1.17 -0.76 0.00 0.00 175.35 172.93 1quw s LEU 55 N 1.97 3.33 -0.24 3.17 0.20 -1.20 -1.36 118.68 124.55 1quw s LEU 55 Ca 0.05 -0.11 -0.26 0.00 0.69 0.00 0.00 54.13 54.50 1quw s LEU 55 Cb -0.16 -1.82 0.00 0.00 -0.43 0.00 0.00 46.19 43.78 1quw s LEU 55 CO -0.21 0.15 0.91 0.20 -0.29 0.00 0.00 176.35 177.10 1quw s ASN 56 N 0.47 6.93 0.59 3.68 -0.87 -1.26 -3.33 114.94 121.15 1quw s ASN 56 Ca -0.02 1.16 0.37 0.00 -1.57 0.00 0.00 52.86 52.80 1quw s ASN 56 Cb -0.14 -2.47 1.77 0.00 -0.02 0.00 0.00 41.25 40.39 1quw s ASN 56 CO 0.02 -0.57 2.14 -0.37 -2.57 0.00 0.00 177.10 175.76 1quw h VAL 57 N 5.43 0.10 -0.17 1.60 -1.51 -1.81 -1.14 116.25 118.75 1quw h VAL 57 Ca -0.22 -0.34 -0.16 0.00 -1.23 0.00 0.00 66.70 64.75 1quw h VAL 57 Cb 1.08 1.30 -0.01 0.00 -2.13 0.00 0.00 31.29 31.54 1quw h VAL 57 CO 0.91 0.02 -0.56 -0.78 -1.23 0.00 0.00 177.57 175.93 1quw h ASP 58 N 0.00 0.58 0.03 4.19 1.82 -1.90 -3.35 116.42 117.79 1quw h ASP 58 Ca -0.00 -0.31 -0.17 0.00 -0.39 0.00 0.00 57.03 56.16 1quw h ASP 58 Cb 0.30 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.13 1quw h ASP 58 CO 0.00 1.02 -0.89 -0.08 -1.61 0.00 0.00 179.24 177.68 1quw h GLU 59 N 0.40 0.06 -4.85 0.28 4.81 -1.79 -3.46 114.58 110.03 1quw h GLU 59 Ca 0.00 -0.11 -0.67 0.00 -0.13 0.00 0.00 59.36 58.46 1quw h GLU 59 Cb 1.10 0.04 -0.25 0.00 0.63 0.00 0.00 28.75 30.28 1quw h GLU 59 CO 0.10 1.05 -0.62 -0.80 -0.73 0.00 0.00 179.01 178.02 1quw s ASN 60 N -6.70 5.16 0.00 1.04 0.01 -0.50 -4.97 114.94 108.99 1quw s ASN 60 Ca -0.23 -0.51 0.22 0.00 -0.71 0.00 0.00 52.86 51.62 1quw s ASN 60 Cb 0.03 -1.91 -0.07 0.00 0.41 0.00 0.00 41.25 39.71 1quw s ASN 60 CO 0.67 -0.14 1.02 -0.81 -1.51 0.00 0.00 177.10 176.33 1quw n PRO 61 N 4.90 0.96 0.08 -0.60 -0.04 -1.26 -4.55 135.00 134.50 1quw n PRO 61 Ca -0.15 -0.72 -0.23 0.00 -0.04 0.00 0.00 63.50 62.36 1quw n PRO 61 Cb 0.49 -1.47 -0.15 0.00 -0.04 0.00 0.00 33.50 32.34 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 1.75 0.41 0.00 0.54 -0.00 -1.96 -3.24 114.58 112.07 1quw h GLU 62 Ca 0.00 -0.69 -0.19 0.00 -0.00 0.00 0.00 59.36 58.47 1quw h GLU 62 Cb 0.67 0.26 -0.01 0.00 -0.00 0.00 0.00 28.75 29.67 1quw h GLU 62 CO 0.00 1.32 -0.87 0.00 -0.00 0.00 0.00 179.01 179.47 1quw h THR 63 N 0.11 1.50 0.00 -1.06 1.03 -1.95 -2.67 112.91 109.87 1quw h THR 63 Ca -0.32 -2.62 -0.03 0.00 -0.01 0.00 0.00 66.41 63.42 1quw h THR 63 Cb 2.11 2.46 -0.00 0.00 -1.07 0.00 0.00 68.15 71.64 1quw h THR 63 CO 0.19 0.76 -0.15 0.00 -0.01 0.00 0.00 175.52 176.32 1quw h THR 64 N 0.10 0.92 0.11 0.00 1.03 -1.80 -2.14 112.91 111.12 1quw h THR 64 Ca -0.04 -0.54 -0.27 0.00 -0.01 0.00 0.00 66.41 65.55 1quw h THR 64 Cb 1.49 1.31 0.01 0.00 -1.07 0.00 0.00 68.15 69.89 1quw h THR 64 CO 0.13 0.15 -1.18 0.28 -0.01 0.00 0.00 175.52 174.88 1quw h SER 65 N 0.00 0.49 -0.70 0.00 0.02 -1.55 -0.52 113.55 111.29 1quw h SER 65 Ca -0.00 -0.48 -0.02 0.00 -0.84 0.00 0.00 61.79 60.45 1quw h SER 65 Cb 0.30 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 1quw h SER 65 CO 0.02 1.35 0.38 1.56 -1.14 0.00 0.00 176.83 178.99 1quw h GLN 66 N 0.12 0.99 0.08 3.45 1.08 -1.09 -3.31 115.11 116.43 1quw h GLN 66 Ca -0.13 -0.12 -0.37 0.00 -1.45 0.00 0.00 58.65 56.58 1quw h GLN 66 Cb 1.88 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 29.09 1quw h GLN 66 CO 0.20 0.75 -2.15 1.19 -0.95 0.00 0.00 178.83 177.87 1quw n PHE 67 N -4.48 0.83 -0.38 2.96 3.72 -0.85 -5.06 117.46 114.20 1quw n PHE 67 Ca 0.06 0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.64 1quw n PHE 67 Cb 0.10 -1.11 0.00 0.00 -0.94 0.00 0.00 39.48 37.53 1quw n PHE 67 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1quw n GLY 68 N 2.06 0.38 3.61 1.37 0.00 -0.21 -5.04 105.19 107.35 1quw n GLY 68 Ca -0.36 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.54 5.02 -0.10 -0.61 -1.09 -1.14 -4.94 121.20 117.80 1quw s ILE 69 Ca 0.00 0.92 0.05 0.00 -2.23 0.00 0.00 60.65 59.39 1quw s ILE 69 Cb 0.00 -3.89 -0.24 0.00 -1.58 0.00 0.00 42.46 36.75 1quw s ILE 69 CO 0.00 0.01 0.44 0.23 -1.23 0.00 0.00 174.94 174.39 1quw n MET 70 N 5.66 0.69 -3.55 2.79 2.81 -1.26 -4.94 117.12 119.31 1quw n MET 70 Ca -0.03 0.25 -0.01 0.00 -1.81 0.00 0.00 57.70 56.10 1quw n MET 70 Cb 0.49 -1.72 -0.04 0.00 -0.71 0.00 0.00 33.22 31.24 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 -6.43 -1.08 0.49 7.83 0.15 -1.26 -5.15 113.70 108.26 1quw s SER 71 Ca -0.14 1.37 -0.19 0.00 0.70 0.00 0.00 55.95 57.68 1quw s SER 71 Cb 0.07 2.17 -0.08 0.00 -1.71 0.00 0.00 66.02 66.47 1quw s SER 71 CO 0.79 -0.23 1.02 0.27 1.20 0.00 0.00 173.24 176.28 1quw s ILE 72 N 2.86 4.01 0.33 6.45 -5.25 -1.26 -4.00 121.20 124.33 1quw s ILE 72 Ca -0.00 1.17 -0.25 0.00 -0.99 0.00 0.00 60.65 60.57 1quw s ILE 72 Cb -0.13 -3.50 -0.10 0.00 2.95 0.00 0.00 42.46 41.68 1quw s ILE 72 CO -0.19 -0.35 0.93 -2.16 -1.79 0.00 0.00 174.94 171.39 1quw s PRO 73 N -3.44 4.54 -0.13 0.37 0.04 -1.26 -4.83 135.00 130.28 1quw s PRO 73 Ca 0.65 1.28 -0.01 0.00 0.04 0.00 0.00 61.00 62.96 1quw s PRO 73 Cb -0.14 -2.75 0.04 0.00 0.04 0.00 0.00 34.50 31.68 1quw s PRO 73 CO 0.22 0.26 -0.04 0.99 0.04 0.00 0.00 177.00 178.47 1quw s THR 74 N -1.66 0.91 -0.19 1.26 2.01 -0.38 -2.64 115.64 114.96 1quw s THR 74 Ca 0.51 -0.38 -0.06 0.00 0.31 0.00 0.00 61.69 62.07 1quw s THR 74 Cb -0.18 -1.06 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 1quw s THR 74 CO 0.23 0.20 0.01 -0.76 -0.69 0.00 0.00 174.62 173.61 1quw s LEU 75 N 1.74 3.45 -0.01 4.42 1.43 -1.13 -0.39 118.68 128.18 1quw s LEU 75 Ca 0.03 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1quw s LEU 75 Cb -0.14 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.22 1quw s LEU 75 CO -0.07 0.12 -0.02 -0.63 0.23 0.00 0.00 176.35 175.98 1quw s ILE 76 N 0.66 0.23 -0.16 -0.59 1.01 -0.50 -2.98 121.20 118.87 1quw s ILE 76 Ca 0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 60.65 60.53 1quw s ILE 76 Cb -0.14 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.04 1quw s ILE 76 CO 0.02 0.10 0.08 -0.22 0.00 0.00 0.00 174.94 174.92 1quw s LEU 77 N 0.34 3.93 0.01 2.97 1.98 -1.20 -0.68 118.68 126.04 1quw s LEU 77 Ca -0.03 0.17 0.06 0.00 -2.89 0.00 0.00 54.13 51.44 1quw s LEU 77 Cb -0.06 -1.98 -0.03 0.00 0.66 0.00 0.00 46.19 44.78 1quw s LEU 77 CO -0.01 0.24 -0.18 -0.36 -1.89 0.00 0.00 176.35 174.16 1quw s PHE 78 N -0.03 2.58 0.00 5.38 0.08 -1.02 -0.48 117.98 124.49 1quw s PHE 78 Ca 0.07 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 56.88 1quw s PHE 78 Cb -0.12 -1.51 0.00 0.00 -0.57 0.00 0.00 43.02 40.82 1quw s PHE 78 CO 0.01 0.22 0.00 1.17 -0.10 0.00 0.00 175.22 176.51 1quw n LYS 79 N 1.80 0.00 -2.65 0.44 4.81 -1.15 -1.98 118.16 119.42 1quw n LYS 79 Ca -0.16 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.00 1quw n LYS 79 Cb 0.52 -0.17 -0.01 0.00 0.02 0.00 0.00 35.03 35.38 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 2.17 5.85 1.60 3.14 0.00 -1.26 -4.27 105.19 112.43 1quw n GLY 80 Ca 0.00 -2.77 -0.02 0.00 0.00 0.00 0.00 46.02 43.23 1quw n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1quw n GLY 81 N -0.38 0.73 3.26 -0.02 0.00 -0.90 -4.75 105.19 103.12 1quw n GLY 81 Ca 0.36 -0.56 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.93 0.45 -0.15 1.61 3.00 -1.26 -5.04 118.95 112.64 1quw s ARG 82 Ca 0.04 1.03 -0.29 0.00 -1.00 0.00 0.00 55.73 55.51 1quw s ARG 82 Cb -0.02 0.34 -0.02 0.00 0.00 0.00 0.00 34.95 35.25 1quw s ARG 82 CO 0.07 -0.41 1.36 -1.25 0.00 0.00 0.00 175.30 175.07 1quw s PRO 83 N 2.73 4.20 -0.05 5.12 0.04 -1.26 -2.95 135.00 142.82 1quw s PRO 83 Ca 0.06 1.76 -0.27 0.00 0.04 0.00 0.00 61.00 62.59 1quw s PRO 83 Cb -0.13 -3.82 -0.22 0.00 0.04 0.00 0.00 34.50 30.37 1quw s PRO 83 CO -0.17 -0.77 1.13 -0.39 0.04 0.00 0.00 177.00 176.85 1quw h VAL 84 N 5.54 1.48 -3.25 -0.36 -1.51 -1.15 -3.48 116.25 113.52 1quw h VAL 84 Ca -0.29 -1.45 -0.09 0.00 -1.23 0.00 0.00 66.70 63.64 1quw h VAL 84 Cb 1.12 2.47 -0.16 0.00 -2.13 0.00 0.00 31.29 32.58 1quw h VAL 84 CO 0.97 0.38 -0.20 -0.54 -1.23 0.00 0.00 177.57 176.95 1quw s LYS 85 N -3.71 0.86 -0.04 5.19 1.02 -1.26 -5.03 119.74 116.77 1quw s LYS 85 Ca -0.17 -0.50 -0.00 0.00 0.02 0.00 0.00 55.97 55.32 1quw s LYS 85 Cb 0.00 0.38 0.03 0.00 -0.52 0.00 0.00 37.83 37.72 1quw s LYS 85 CO 0.67 -0.29 0.01 -1.14 -0.92 0.00 0.00 175.35 173.69 1quw s GLN 86 N -2.67 0.26 -0.01 1.68 0.74 -1.26 -3.22 119.66 115.18 1quw s GLN 86 Ca -0.04 0.13 0.01 0.00 0.05 0.00 0.00 55.36 55.51 1quw s GLN 86 Cb -0.00 -0.54 0.00 0.00 1.10 0.00 0.00 33.01 33.57 1quw s GLN 86 CO -0.04 -0.19 -0.02 -0.48 -0.55 0.00 0.00 175.29 174.01 1quw s LEU 87 N 1.33 1.81 0.28 3.68 -0.00 -1.16 -5.04 118.68 119.59 1quw s LEU 87 Ca -0.05 -0.05 0.02 0.00 -0.00 0.00 0.00 54.13 54.05 1quw s LEU 87 Cb -0.13 -0.17 -0.04 0.00 -0.00 0.00 0.00 46.19 45.85 1quw s LEU 87 CO -0.02 0.01 0.14 0.27 -0.00 0.00 0.00 176.35 176.74 1quw s ILE 88 N 0.18 0.35 0.00 1.48 -0.00 -1.26 -2.84 121.20 119.10 1quw s ILE 88 Ca -0.01 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 58.64 1quw s ILE 88 Cb -0.04 -2.54 0.00 0.00 -0.00 0.00 0.00 42.46 39.88 1quw s ILE 88 CO -0.00 0.00 0.00 0.61 -0.00 0.00 0.00 174.94 175.55 1quw n GLY 89 N -0.53 -1.80 3.52 6.27 0.00 -1.08 -4.67 105.19 106.90 1quw n GLY 89 Ca 0.01 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 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 0.00 2.86 -0.30 1.61 5.04 -1.26 -4.66 117.35 120.64 1quw s TYR 90 Ca 0.00 -0.03 -0.07 0.00 -2.44 0.00 0.00 57.07 54.54 1quw s TYR 90 Cb 0.00 -3.95 0.01 0.00 0.35 0.00 0.00 41.96 38.37 1quw s TYR 90 CO 0.00 -1.25 0.08 1.14 -1.34 0.00 0.00 175.55 174.18 1quw s GLN 91 N 3.69 3.05 1.15 4.97 0.00 -1.26 -5.10 119.66 126.17 1quw s GLN 91 Ca 0.29 -0.88 -0.18 0.00 -0.00 0.00 0.00 55.36 54.59 1quw s GLN 91 Cb -0.13 -3.36 0.17 0.00 0.00 0.00 0.00 33.01 29.69 1quw s GLN 91 CO 0.19 -0.46 0.27 -2.30 0.00 0.00 0.00 175.29 172.99 1quw n PRO 92 N 4.86 -2.18 -0.21 9.60 -0.02 -1.26 -4.43 135.00 141.36 1quw n PRO 92 Ca -0.14 -0.63 0.13 0.00 -2.02 0.00 0.00 63.50 60.84 1quw n PRO 92 Cb 0.48 -1.74 0.43 0.00 -0.02 0.00 0.00 33.50 32.65 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 -2.42 0.55 -0.28 -0.52 3.64 -1.96 0.24 116.57 115.82 1quw h LYS 93 Ca -0.49 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 58.72 1quw h LYS 93 Cb 1.26 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1quw h LYS 93 CO 0.35 0.37 -0.38 0.93 -2.27 0.00 0.00 179.45 178.45 1quw h GLU 94 N 0.57 0.65 -0.09 1.90 5.08 -2.00 0.20 114.58 120.90 1quw h GLU 94 Ca 0.39 -0.32 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 1quw h GLU 94 Cb 0.71 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.97 1quw h GLU 94 CO -0.15 0.92 -0.43 1.96 -1.00 0.00 0.00 179.01 180.31 1quw h GLN 95 N 0.54 0.45 0.36 2.33 1.08 -1.66 -3.17 115.11 115.04 1quw h GLN 95 Ca 0.05 -0.36 -0.00 0.00 -1.45 0.00 0.00 58.65 56.89 1quw h GLN 95 Cb 0.89 0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 28.37 1quw h GLN 95 CO 0.08 1.00 -0.41 -0.07 -0.95 0.00 0.00 178.83 178.48 1quw h LEU 96 N 0.01 -1.12 -1.27 1.46 3.38 -0.44 -2.13 115.31 115.19 1quw h LEU 96 Ca -0.03 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1quw h LEU 96 Cb 1.08 0.38 -0.05 0.00 0.09 0.00 0.00 40.66 42.16 1quw h LEU 96 CO 0.09 -0.55 0.53 -0.33 0.09 0.00 0.00 178.44 178.27 1quw h GLU 97 N -0.80 0.86 -0.13 1.13 4.39 -0.71 0.16 114.58 119.48 1quw h GLU 97 Ca -0.03 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 1quw h GLU 97 Cb 0.73 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1quw h GLU 97 CO -0.09 0.57 0.04 0.00 -1.16 0.00 0.00 179.01 178.37 1quw h ALA 98 N 1.56 0.17 -0.14 3.43 0.00 -1.51 -2.63 119.26 120.14 1quw h ALA 98 Ca 0.35 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1quw h ALA 98 Cb 0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1quw h ALA 98 CO -0.12 -0.20 0.07 0.37 0.00 0.00 0.00 179.25 179.36 1quw h GLN 99 N 0.02 0.20 0.00 0.00 5.75 -0.50 -3.21 115.11 117.38 1quw h GLN 99 Ca 0.04 -0.03 -0.12 0.00 -0.15 0.00 0.00 58.65 58.39 1quw h GLN 99 Cb 0.23 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 1quw h GLN 99 CO -0.00 0.24 -0.59 -0.07 -2.65 0.00 0.00 178.83 175.76 1quw h LEU 100 N 0.11 0.00 -1.75 -2.39 -0.00 -0.79 -3.05 115.31 107.44 1quw h LEU 100 Ca 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1quw h LEU 100 Cb 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.76 1quw h LEU 100 CO -0.01 0.59 0.13 0.00 -0.00 0.00 0.00 178.44 179.16 1quw h ALA 101 N 1.41 1.81 -0.32 1.53 0.00 -1.46 -1.63 119.26 120.61 1quw h ALA 101 Ca -0.01 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1quw h ALA 101 Cb 1.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1quw h ALA 101 CO 0.08 0.17 -0.11 0.22 0.00 0.00 0.00 179.25 179.60 1quw h ASP 102 N 0.31 0.64 1.67 0.00 1.82 -1.60 -3.24 116.42 116.02 1quw h ASP 102 Ca 0.08 -0.38 -0.04 0.00 -0.39 0.00 0.00 57.03 56.29 1quw h ASP 102 Cb -0.01 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 39.82 1quw h ASP 102 CO -0.02 0.88 -0.34 -0.37 -1.61 0.00 0.00 179.24 177.79 1quw h VAL 103 N 0.40 0.30 0.16 2.25 -1.51 -1.56 -3.34 116.25 112.95 1quw h VAL 103 Ca 0.08 -1.44 -0.29 0.00 -1.23 0.00 0.00 66.70 63.81 1quw h VAL 103 Cb 0.62 2.09 0.01 0.00 -2.13 0.00 0.00 31.29 31.88 1quw h VAL 103 CO 0.04 0.17 -1.31 -0.07 -1.23 0.00 0.00 177.57 175.17 1quw h LEU 104 N 0.00 0.53 0.00 4.19 3.38 -1.35 -3.50 115.31 118.56 1quw h LEU 104 Ca -0.01 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1quw h LEU 104 Cb 1.15 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1quw h LEU 104 CO 0.02 1.45 0.00 0.00 0.09 0.00 0.00 178.44 180.00