#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 3.70 0.44 0.00 -4.23 -1.26 -4.68 115.64 109.61 1quw s THR 2 Ca 0.00 -1.38 0.01 0.00 -1.18 0.00 0.00 61.69 59.13 1quw s THR 2 Cb 0.00 -2.84 -0.00 0.00 1.34 0.00 0.00 72.50 71.00 1quw s THR 2 CO 0.00 -0.07 0.66 -0.32 -0.54 0.00 0.00 174.62 174.35 1quw s MET 3 N -2.83 3.06 -0.10 3.99 -2.45 -0.39 -4.97 119.30 115.62 1quw s MET 3 Ca 0.27 -0.53 -0.01 0.00 -1.25 0.00 0.00 55.69 54.17 1quw s MET 3 Cb -0.10 -2.58 0.03 0.00 1.25 0.00 0.00 34.83 33.44 1quw s MET 3 CO 0.18 -0.25 -0.00 0.99 1.05 0.00 0.00 175.02 176.99 1quw s THR 4 N -2.53 0.49 0.50 10.11 2.01 -1.26 -1.31 115.64 123.65 1quw s THR 4 Ca 0.48 -0.05 0.09 0.00 0.31 0.00 0.00 61.69 62.51 1quw s THR 4 Cb -0.10 -0.69 0.05 0.00 0.01 0.00 0.00 72.50 71.77 1quw s THR 4 CO 0.37 0.19 0.64 -0.76 -0.69 0.00 0.00 174.62 174.38 1quw s LEU 5 N 1.92 3.28 0.16 4.42 1.02 0.40 -4.85 118.68 125.03 1quw s LEU 5 Ca 0.04 -0.73 -0.22 0.00 0.02 0.00 0.00 54.13 53.24 1quw s LEU 5 Cb -0.13 -1.98 0.06 0.00 0.02 0.00 0.00 46.19 44.16 1quw s LEU 5 CO -0.06 -1.06 0.58 0.28 0.02 0.00 0.00 176.35 176.11 1quw s THR 6 N -2.55 0.01 0.19 5.49 -1.32 -1.26 -4.46 115.64 111.74 1quw s THR 6 Ca 0.56 -0.16 -0.07 0.00 -1.21 0.00 0.00 61.69 60.81 1quw s THR 6 Cb -0.07 -1.11 0.30 0.00 -1.51 0.00 0.00 72.50 70.12 1quw s THR 6 CO 0.34 -0.04 1.11 -0.90 -2.21 0.00 0.00 174.62 172.92 1quw n ASP 7 N -0.36 -0.29 -0.01 8.08 5.75 -1.26 0.12 116.55 128.58 1quw n ASP 7 Ca -0.16 1.23 -0.20 0.00 -0.01 0.00 0.00 54.79 55.65 1quw n ASP 7 Cb 0.64 -0.36 -0.14 0.00 -1.03 0.00 0.00 41.12 40.24 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 1.36 0.09 0.00 2.12 0.00 -2.02 -3.30 119.26 117.51 1quw h ALA 8 Ca 0.33 -0.92 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 1quw h ALA 8 Cb 0.51 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1quw h ALA 8 CO -0.73 0.58 -0.23 -0.97 0.00 0.00 0.00 179.25 177.90 1quw h ASN 9 N -0.51 0.00 -0.47 0.00 -1.24 -1.72 -3.00 115.58 108.64 1quw h ASN 9 Ca -0.23 0.00 0.08 0.00 0.71 0.00 0.00 56.30 56.86 1quw h ASN 9 Cb 1.57 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 40.55 1quw h ASN 9 CO 0.04 0.23 0.11 0.15 -1.29 0.00 0.00 177.43 176.67 1quw h PHE 10 N 0.00 0.18 -0.52 0.67 3.57 0.88 0.39 116.94 122.11 1quw h PHE 10 Ca -0.00 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.41 1quw h PHE 10 Cb 0.56 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1quw h PHE 10 CO 0.00 0.02 -0.13 1.96 -2.23 0.00 0.00 178.31 177.93 1quw h GLN 11 N 0.25 1.00 -0.28 1.11 4.20 -1.61 -2.56 115.11 117.22 1quw h GLN 11 Ca 0.23 -0.38 -0.11 0.00 0.06 0.00 0.00 58.65 58.46 1quw h GLN 11 Cb 0.29 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1quw h GLN 11 CO -0.29 1.06 -0.29 0.37 -0.67 0.00 0.00 178.83 179.01 1quw h GLN 12 N 0.88 0.57 -0.28 1.46 4.15 -1.46 -2.82 115.11 117.60 1quw h GLN 12 Ca 0.13 -0.24 -0.00 0.00 0.77 0.00 0.00 58.65 59.31 1quw h GLN 12 Cb 0.69 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 1quw h GLN 12 CO 0.05 0.79 0.16 0.00 -1.93 0.00 0.00 178.83 177.91 1quw h ALA 13 N 1.20 0.36 0.00 3.38 0.00 0.05 -3.11 119.26 121.14 1quw h ALA 13 Ca 0.06 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1quw h ALA 13 Cb 0.75 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1quw h ALA 13 CO 0.06 -0.12 -0.68 -0.84 0.00 0.00 0.00 179.25 177.67 1quw h ILE 14 N 0.35 1.28 0.00 0.00 3.07 -1.47 -3.08 117.51 117.66 1quw h ILE 14 Ca 0.10 -2.50 0.00 0.00 1.55 0.00 0.00 64.86 64.01 1quw h ILE 14 Cb 0.04 2.43 0.00 0.00 -0.27 0.00 0.00 36.82 39.02 1quw h ILE 14 CO -0.02 0.66 0.00 0.00 -1.05 0.00 0.00 178.15 177.75 1quw n GLN 15 N -3.44 0.03 0.00 0.16 1.13 -1.07 -1.08 117.38 113.11 1quw n GLN 15 Ca 0.00 0.26 0.00 0.00 -1.94 0.00 0.00 57.00 55.32 1quw n GLN 15 Cb 0.74 -1.55 0.00 0.00 0.11 0.00 0.00 30.24 29.54 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 0.12 -2.40 1.77 1.08 0.00 -1.16 -4.74 105.19 99.86 1quw n GLY 16 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.02 -3.31 -4.78 1.61 2.03 -1.26 -4.97 116.55 105.85 1quw n ASP 17 Ca 0.00 0.80 -0.31 0.00 0.52 0.00 0.00 54.79 55.81 1quw n ASP 17 Cb 0.00 3.18 0.08 0.00 -0.72 0.00 0.00 41.12 43.66 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 -2.00 2.36 0.27 -0.67 -2.85 -1.26 -4.53 119.74 111.06 1quw s LYS 18 Ca 0.00 1.00 -0.30 0.00 -1.00 0.00 0.00 55.97 55.66 1quw s LYS 18 Cb 0.00 -1.92 -0.13 0.00 -2.06 0.00 0.00 37.83 33.72 1quw s LYS 18 CO 0.00 -1.52 1.37 -2.30 0.10 0.00 0.00 175.35 173.01 1quw n PRO 19 N -3.42 2.08 -3.79 1.78 -0.02 -1.26 -4.63 135.00 125.74 1quw n PRO 19 Ca 0.08 0.74 -0.28 0.00 -2.02 0.00 0.00 63.50 62.01 1quw n PRO 19 Cb 0.54 -2.37 -0.16 0.00 -0.02 0.00 0.00 33.50 31.48 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 -0.37 0.78 -0.46 -1.45 1.01 0.11 -3.64 120.40 116.39 1quw s VAL 20 Ca 0.64 -0.75 -0.25 0.00 0.00 0.00 0.00 61.98 61.62 1quw s VAL 20 Cb -0.62 -1.24 0.03 0.00 0.00 0.00 0.00 36.38 34.54 1quw s VAL 20 CO 0.53 -0.20 0.88 -0.22 0.00 0.00 0.00 175.10 176.09 1quw s LEU 21 N 1.74 4.09 -0.14 3.92 0.20 -0.02 -0.66 118.68 127.81 1quw s LEU 21 Ca -0.02 0.05 -0.26 0.00 0.69 0.00 0.00 54.13 54.59 1quw s LEU 21 Cb -0.18 -3.12 -0.02 0.00 -0.43 0.00 0.00 46.19 42.45 1quw s LEU 21 CO -0.08 -1.00 0.86 -0.69 -0.29 0.00 0.00 176.35 175.15 1quw s VAL 22 N 3.59 4.88 -0.49 1.68 1.01 0.56 -0.09 120.40 131.54 1quw s VAL 22 Ca 0.35 1.72 -0.16 0.00 0.00 0.00 0.00 61.98 63.88 1quw s VAL 22 Cb -0.11 -4.17 0.08 0.00 0.00 0.00 0.00 36.38 32.18 1quw s VAL 22 CO 0.25 0.05 0.47 -1.81 0.00 0.00 0.00 175.10 174.07 1quw s ASP 23 N 1.10 6.17 -0.20 3.32 1.11 -0.15 -1.59 116.67 126.42 1quw s ASP 23 Ca 0.41 -1.30 -0.28 0.00 0.18 0.00 0.00 52.55 51.56 1quw s ASP 23 Cb -0.17 -2.22 0.00 0.00 1.07 0.00 0.00 42.92 41.60 1quw s ASP 23 CO 0.15 -0.75 0.97 -0.36 1.18 0.00 0.00 175.17 176.36 1quw s PHE 24 N 1.90 3.37 0.37 4.23 0.08 0.11 -2.69 117.98 125.35 1quw s PHE 24 Ca 0.07 1.40 -0.03 0.00 0.12 0.00 0.00 56.93 58.48 1quw s PHE 24 Cb -0.24 -3.18 0.01 0.00 -0.57 0.00 0.00 43.02 39.04 1quw s PHE 24 CO 0.07 -0.39 0.53 1.67 -0.10 0.00 0.00 175.22 177.00 1quw s TRP 25 N 2.80 1.00 0.06 0.36 1.48 -1.07 -1.28 118.94 122.30 1quw s TRP 25 Ca 0.42 -1.28 -0.04 0.00 -1.06 0.00 0.00 56.10 54.14 1quw s TRP 25 Cb -0.16 0.03 -0.02 0.00 -1.16 0.00 0.00 33.47 32.16 1quw s TRP 25 CO 0.09 -1.23 0.06 0.00 -4.06 0.00 0.00 176.95 171.81 1quw s ALA 26 N -2.80 0.16 0.24 2.67 0.00 -1.26 -2.62 121.76 118.15 1quw s ALA 26 Ca 0.29 -0.87 0.06 0.00 0.00 0.00 0.00 51.96 51.44 1quw s ALA 26 Cb -0.01 0.32 0.25 0.00 0.00 0.00 0.00 23.12 23.67 1quw s ALA 26 CO 0.21 -0.38 1.55 0.00 0.00 0.00 0.00 175.76 177.14 1quw h ALA 27 N 3.24 0.85 -0.00 0.00 0.00 -2.01 -2.48 119.26 118.85 1quw h ALA 27 Ca -0.34 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.00 1quw h ALA 27 Cb 1.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1quw h ALA 27 CO 0.59 0.77 -0.03 -2.67 0.00 0.00 0.00 179.25 177.91 1quw n TRP 28 N -3.82 0.00 -2.04 0.00 4.27 -1.26 -4.92 117.44 109.67 1quw n TRP 28 Ca -0.02 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.19 1quw n TRP 28 Cb 0.64 -0.13 -0.01 0.00 -1.36 0.00 0.00 31.31 30.45 1quw n TRP 28 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1quw h GLY 30 N 2.85 0.00 2.00 0.00 0.00 -1.91 -3.40 103.07 102.61 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 0.63 0.00 0.00 -1.55 0.00 0.00 0.00 176.54 175.62 1quw n PRO 31 N -4.66 0.14 0.23 4.80 -0.04 -1.26 -2.25 135.00 131.96 1quw n PRO 31 Ca -0.05 0.27 0.10 0.00 -0.04 0.00 0.00 63.50 63.78 1quw n PRO 31 Cb 0.19 -1.72 0.54 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.38 0.00 9.65 -1.66 -0.61 114.38 121.39 1quw h ARG 33 Ca -0.00 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 1quw h ARG 33 Cb 0.60 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.16 1quw h ARG 33 CO 0.03 0.21 0.13 0.52 2.80 0.00 0.00 179.97 183.67 1quw h MET 34 N 0.00 0.58 -0.09 0.20 2.86 -1.66 -2.48 114.93 114.34 1quw h MET 34 Ca -0.00 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1quw h MET 34 Cb 0.40 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1quw h MET 34 CO 0.03 0.58 0.00 0.00 1.06 0.00 0.00 176.91 178.57 1quw n MET 35 N -4.64 1.51 -0.02 1.72 -0.00 -1.05 -4.15 117.12 110.49 1quw n MET 35 Ca -0.01 -0.75 -0.09 0.00 -0.00 0.00 0.00 57.70 56.85 1quw n MET 35 Cb 0.16 -1.40 -0.02 0.00 -0.00 0.00 0.00 33.22 31.96 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 4.01 -0.12 0.00 3.17 0.00 -0.62 -2.04 119.26 123.66 1quw h ALA 36 Ca 0.00 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1quw h ALA 36 Cb 0.35 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1quw h ALA 36 CO 0.00 -0.65 -0.58 -1.00 0.00 0.00 0.00 179.25 177.02 1quw h PRO 37 N -0.24 0.00 -0.29 0.00 0.13 -1.74 -3.23 132.00 126.64 1quw h PRO 37 Ca 0.11 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.16 1quw h PRO 37 Cb 0.40 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.52 1quw h PRO 37 CO -0.31 0.58 -0.15 -0.24 -0.23 0.00 0.00 178.00 177.65 1quw h VAL 38 N 0.00 1.24 -0.04 1.56 3.04 -1.68 -1.81 116.25 118.55 1quw h VAL 38 Ca -0.01 -1.08 -0.17 0.00 -1.01 0.00 0.00 66.70 64.43 1quw h VAL 38 Cb 1.31 1.19 -0.01 0.00 -2.01 0.00 0.00 31.29 31.77 1quw h VAL 38 CO 0.08 0.35 -0.74 -0.07 -1.01 0.00 0.00 177.57 176.17 1quw h LEU 39 N 0.46 0.31 -0.89 3.16 3.38 -1.42 0.25 115.31 120.56 1quw h LEU 39 Ca 0.08 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1quw h LEU 39 Cb 0.53 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1quw h LEU 39 CO 0.03 0.95 -0.01 -0.33 0.09 0.00 0.00 178.44 179.16 1quw h GLU 40 N 0.17 0.80 -0.34 1.13 4.39 -1.51 0.13 114.58 119.36 1quw h GLU 40 Ca -0.03 -0.22 -0.08 0.00 0.34 0.00 0.00 59.36 59.37 1quw h GLU 40 Cb 1.31 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.85 1quw h GLU 40 CO 0.12 0.82 -0.12 0.93 -1.16 0.00 0.00 179.01 179.60 1quw h GLU 41 N 0.75 0.59 -0.06 2.33 5.08 -1.08 -3.08 114.58 119.10 1quw h GLU 41 Ca 0.14 -0.18 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 1quw h GLU 41 Cb 0.47 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.67 1quw h GLU 41 CO 0.02 0.70 -0.47 0.35 -1.00 0.00 0.00 179.01 178.61 1quw h PHE 42 N 0.54 0.59 0.00 4.33 3.57 -0.27 -2.92 116.94 122.79 1quw h PHE 42 Ca 0.10 -0.28 -0.02 0.00 3.53 0.00 0.00 57.97 61.29 1quw h PHE 42 Cb 0.53 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 1quw h PHE 42 CO 0.02 1.06 -0.12 0.00 -2.23 0.00 0.00 178.31 177.04 1quw h ALA 43 N 0.41 1.22 -0.01 2.41 0.00 -0.82 -1.74 119.26 120.73 1quw h ALA 43 Ca -0.04 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.56 1quw h ALA 43 Cb 1.14 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1quw h ALA 43 CO 0.10 0.15 -0.86 1.49 0.00 0.00 0.00 179.25 180.12 1quw h GLU 44 N 0.00 0.26 0.38 0.00 4.22 -1.51 -1.49 114.58 116.45 1quw h GLU 44 Ca -0.00 -0.27 -0.02 0.00 0.08 0.00 0.00 59.36 59.15 1quw h GLU 44 Cb 0.37 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1quw h GLU 44 CO 0.02 0.98 -0.18 0.00 -2.18 0.00 0.00 179.01 177.64 1quw h ALA 45 N 0.93 -0.51 0.00 2.92 0.00 -1.12 -3.37 119.26 118.11 1quw h ALA 45 Ca -0.05 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1quw h ALA 45 Cb 1.48 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 1quw h ALA 45 CO 0.14 -0.66 -0.48 0.45 0.00 0.00 0.00 179.25 178.70 1quw h HIS 46 N -0.77 0.00 0.00 0.00 3.86 -1.64 -3.46 115.15 113.13 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 0.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1quw h HIS 46 CO 0.01 0.74 0.00 0.00 0.86 0.00 0.00 177.93 179.53 1quw n ALA 47 N -3.10 0.00 -0.33 2.45 0.00 -0.56 -3.61 120.51 115.37 1quw n ALA 47 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.21 1quw n ALA 47 Cb 0.40 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.88 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 2.63 4.97 0.00 0.00 2.03 -1.26 -3.74 116.55 121.18 1quw n ASP 48 Ca 0.00 -2.69 0.00 0.00 0.52 0.00 0.00 54.79 52.62 1quw n ASP 48 Cb 0.00 -0.90 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 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 0.49 0.00 -4.42 -0.67 3.00 -1.24 -5.10 118.16 110.23 1quw n LYS 49 Ca 0.18 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.17 1quw n LYS 49 Cb 0.66 -0.33 -0.10 0.00 0.00 0.00 0.00 35.03 35.26 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 -1.00 3.79 -0.42 3.15 0.11 -1.25 -4.67 120.40 120.12 1quw s VAL 50 Ca 0.00 -0.71 -0.06 0.00 -2.93 0.00 0.00 61.98 58.28 1quw s VAL 50 Cb 0.00 -2.66 0.10 0.00 -1.53 0.00 0.00 36.38 32.30 1quw s VAL 50 CO 0.00 0.40 0.25 -0.89 -3.33 0.00 0.00 175.10 171.53 1quw s THR 51 N -1.01 3.75 -0.82 5.04 2.01 -1.24 -4.56 115.64 118.82 1quw s THR 51 Ca 0.17 -1.79 -0.23 0.00 0.31 0.00 0.00 61.69 60.16 1quw s THR 51 Cb -0.11 -3.46 0.07 0.00 0.01 0.00 0.00 72.50 69.02 1quw s THR 51 CO 0.08 -0.64 1.17 -0.69 -0.69 0.00 0.00 174.62 173.84 1quw s VAL 52 N 1.28 4.22 0.54 3.82 1.01 -1.26 -0.84 120.40 129.17 1quw s VAL 52 Ca 0.05 -0.59 0.09 0.00 0.00 0.00 0.00 61.98 61.53 1quw s VAL 52 Cb -0.24 -4.83 0.09 0.00 0.00 0.00 0.00 36.38 31.40 1quw s VAL 52 CO -0.02 -1.65 0.73 0.00 0.00 0.00 0.00 175.10 174.16 1quw n ALA 53 N 8.00 1.14 -3.61 5.51 0.00 0.88 -1.26 120.51 131.17 1quw n ALA 53 Ca 0.12 -1.98 -0.20 0.00 0.00 0.00 0.00 53.44 51.38 1quw n ALA 53 Cb 0.48 0.56 -0.15 0.00 0.00 0.00 0.00 19.45 20.34 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 -4.45 0.07 -0.13 0.00 -0.14 -0.43 -0.98 119.74 113.68 1quw s LYS 54 Ca 0.55 0.31 0.02 0.00 -1.36 0.00 0.00 55.97 55.49 1quw s LYS 54 Cb -0.04 -0.89 -0.00 0.00 -1.68 0.00 0.00 37.83 35.21 1quw s LYS 54 CO 0.35 -0.48 -0.19 -1.17 -0.76 0.00 0.00 175.35 173.10 1quw s LEU 55 N 2.26 2.30 -0.31 3.17 1.98 -1.09 -0.46 118.68 126.52 1quw s LEU 55 Ca 0.04 -0.51 -0.25 0.00 -2.89 0.00 0.00 54.13 50.52 1quw s LEU 55 Cb -0.14 -1.49 0.01 0.00 0.66 0.00 0.00 46.19 45.22 1quw s LEU 55 CO -0.08 0.12 0.86 0.20 -1.89 0.00 0.00 176.35 175.56 1quw s ASN 56 N 0.61 6.72 0.40 3.68 -0.87 -1.26 -2.58 114.94 121.64 1quw s ASN 56 Ca -0.11 0.74 0.28 0.00 -1.57 0.00 0.00 52.86 52.20 1quw s ASN 56 Cb -0.16 -2.44 1.09 0.00 -0.02 0.00 0.00 41.25 39.71 1quw s ASN 56 CO 0.03 -0.70 1.83 -0.37 -2.57 0.00 0.00 177.10 175.33 1quw h VAL 57 N 5.65 0.00 0.10 1.60 -1.51 -1.73 0.17 116.25 120.53 1quw h VAL 57 Ca -0.23 -0.44 -0.14 0.00 -1.23 0.00 0.00 66.70 64.65 1quw h VAL 57 Cb 1.09 1.34 0.02 0.00 -2.13 0.00 0.00 31.29 31.60 1quw h VAL 57 CO 0.93 0.00 -0.62 -0.78 -1.23 0.00 0.00 177.57 175.87 1quw h ASP 58 N 0.00 0.35 0.19 4.19 3.58 -1.91 -3.37 116.42 119.44 1quw h ASP 58 Ca 0.00 -0.96 -0.27 0.00 0.42 0.00 0.00 57.03 56.22 1quw h ASP 58 Cb 0.52 -0.11 0.02 0.00 1.72 0.00 0.00 39.33 41.47 1quw h ASP 58 CO 0.00 1.30 -1.12 -0.08 -2.88 0.00 0.00 179.24 176.46 1quw h GLU 59 N -0.54 0.57 -4.61 0.28 4.81 -1.93 -3.42 114.58 109.75 1quw h GLU 59 Ca -0.11 -0.69 -0.70 0.00 -0.13 0.00 0.00 59.36 57.73 1quw h GLU 59 Cb 1.48 0.21 -0.30 0.00 0.63 0.00 0.00 28.75 30.78 1quw h GLU 59 CO 0.11 1.29 -0.58 -0.80 -0.73 0.00 0.00 179.01 178.30 1quw s ASN 60 N -7.29 5.34 0.00 1.04 0.01 0.04 -4.96 114.94 109.12 1quw s ASN 60 Ca -0.08 -1.37 0.24 0.00 -0.71 0.00 0.00 52.86 50.94 1quw s ASN 60 Cb 0.07 -1.87 0.28 0.00 0.41 0.00 0.00 41.25 40.14 1quw s ASN 60 CO 0.91 -0.40 1.26 -0.81 -1.51 0.00 0.00 177.10 176.55 1quw n PRO 61 N 4.78 0.62 0.02 -0.60 -0.04 -1.26 -4.29 135.00 134.23 1quw n PRO 61 Ca -0.10 -0.45 -0.20 0.00 -0.04 0.00 0.00 63.50 62.71 1quw n PRO 61 Cb 0.44 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.26 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 1.10 0.25 0.00 0.54 -0.00 -1.94 -3.01 114.58 111.52 1quw h GLU 62 Ca 0.00 -0.43 -0.16 0.00 -0.00 0.00 0.00 59.36 58.77 1quw h GLU 62 Cb 0.58 0.16 -0.02 0.00 -0.00 0.00 0.00 28.75 29.47 1quw h GLU 62 CO 0.00 1.21 -0.79 0.00 -0.00 0.00 0.00 179.01 179.42 1quw h THR 63 N -0.43 1.20 -0.02 -1.06 1.03 -1.93 -1.88 112.91 109.82 1quw h THR 63 Ca -0.18 -2.73 -0.11 0.00 -0.01 0.00 0.00 66.41 63.39 1quw h THR 63 Cb 1.61 2.58 -0.01 0.00 -1.07 0.00 0.00 68.15 71.26 1quw h THR 63 CO 0.10 0.69 -0.49 0.00 -0.01 0.00 0.00 175.52 175.81 1quw h THR 64 N 0.00 1.35 0.11 0.00 1.03 -1.75 -2.07 112.91 111.59 1quw h THR 64 Ca -0.02 -1.70 -0.27 0.00 -0.01 0.00 0.00 66.41 64.41 1quw h THR 64 Cb 1.58 1.90 0.00 0.00 -1.07 0.00 0.00 68.15 70.55 1quw h THR 64 CO 0.09 0.49 -1.23 -1.28 -0.01 0.00 0.00 175.52 173.59 1quw h SER 65 N 0.04 0.37 -0.47 0.00 0.87 -1.51 0.08 113.55 112.93 1quw h SER 65 Ca -0.00 -0.40 -0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1quw h SER 65 Cb 0.89 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 1quw h SER 65 CO 0.07 1.32 0.29 -0.61 -0.53 0.00 0.00 176.83 177.36 1quw h GLN 66 N 0.07 0.63 0.02 2.24 4.15 -1.14 -3.14 115.11 117.94 1quw h GLN 66 Ca -0.12 -0.05 -0.29 0.00 0.77 0.00 0.00 58.65 58.95 1quw h GLN 66 Cb 1.95 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 29.47 1quw h GLN 66 CO 0.19 0.45 -1.64 0.74 -1.93 0.00 0.00 178.83 176.65 1quw h PHE 67 N 0.62 0.07 -2.16 3.99 0.04 -1.49 -3.50 116.94 114.51 1quw h PHE 67 Ca 0.17 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.89 1quw h PHE 67 Cb -0.02 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.13 1quw h PHE 67 CO -0.03 1.09 0.00 0.41 -0.60 0.00 0.00 178.31 179.18 1quw n GLY 68 N 1.57 0.11 3.56 -1.45 0.00 -0.06 -4.98 105.19 103.95 1quw n GLY 68 Ca -0.16 -0.36 -0.42 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 -2.72 4.09 -0.14 -0.61 -1.09 -0.76 -4.85 121.20 115.12 1quw s ILE 69 Ca 0.00 0.67 0.18 0.00 -2.23 0.00 0.00 60.65 59.27 1quw s ILE 69 Cb 0.00 -4.69 -0.14 0.00 -1.58 0.00 0.00 42.46 36.05 1quw s ILE 69 CO 0.00 -1.33 0.78 0.23 -1.23 0.00 0.00 174.94 173.39 1quw n MET 70 N 8.25 0.63 -3.44 2.79 2.81 -1.26 -4.81 117.12 122.08 1quw n MET 70 Ca 0.06 0.16 -0.18 0.00 -1.81 0.00 0.00 57.70 55.93 1quw n MET 70 Cb 0.49 -1.77 -0.11 0.00 -0.71 0.00 0.00 33.22 31.11 1quw n MET 70 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1quw s SER 71 N -5.60 1.69 0.46 7.83 0.01 -1.26 -5.13 113.70 111.69 1quw s SER 71 Ca -0.03 -0.58 -0.20 0.00 1.31 0.00 0.00 55.95 56.44 1quw s SER 71 Cb 0.09 0.41 -0.10 0.00 0.21 0.00 0.00 66.02 66.64 1quw s SER 71 CO 0.82 -0.37 0.98 0.27 0.41 0.00 0.00 173.24 175.35 1quw s ILE 72 N 2.33 4.19 0.36 1.44 -5.25 -1.26 -3.82 121.20 119.19 1quw s ILE 72 Ca 0.09 1.33 -0.24 0.00 -0.99 0.00 0.00 60.65 60.84 1quw s ILE 72 Cb -0.15 -3.55 -0.10 0.00 2.95 0.00 0.00 42.46 41.61 1quw s ILE 72 CO -0.26 -0.32 0.96 -2.16 -1.79 0.00 0.00 174.94 171.37 1quw s PRO 73 N -3.28 4.44 -0.11 0.37 0.04 -1.26 -4.68 135.00 130.51 1quw s PRO 73 Ca 0.64 1.30 0.01 0.00 0.04 0.00 0.00 61.00 62.99 1quw s PRO 73 Cb -0.12 -2.60 0.02 0.00 0.04 0.00 0.00 34.50 31.84 1quw s PRO 73 CO 0.17 0.14 -0.15 0.99 0.04 0.00 0.00 177.00 178.20 1quw s THR 74 N -1.77 1.47 -0.24 1.26 2.01 -0.40 -1.88 115.64 116.09 1quw s THR 74 Ca 0.54 -0.62 -0.09 0.00 0.31 0.00 0.00 61.69 61.84 1quw s THR 74 Cb -0.17 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 1quw s THR 74 CO 0.21 0.44 0.11 -0.76 -0.69 0.00 0.00 174.62 173.93 1quw s LEU 75 N 1.11 3.75 -0.04 4.42 2.01 -0.74 0.06 118.68 129.26 1quw s LEU 75 Ca -0.04 -0.06 0.01 0.00 0.01 0.00 0.00 54.13 54.05 1quw s LEU 75 Cb -0.14 -2.01 0.02 0.00 0.01 0.00 0.00 46.19 44.07 1quw s LEU 75 CO -0.03 0.01 -0.04 -0.63 1.01 0.00 0.00 176.35 176.67 1quw s ILE 76 N 1.35 0.47 -0.12 -0.59 1.01 -0.62 -1.86 121.20 120.84 1quw s ILE 76 Ca 0.06 -0.10 -0.17 0.00 0.00 0.00 0.00 60.65 60.44 1quw s ILE 76 Cb -0.15 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.79 1quw s ILE 76 CO 0.05 0.20 0.43 -0.22 0.00 0.00 0.00 174.94 175.41 1quw s LEU 77 N 0.81 4.29 -0.08 2.97 1.98 -0.91 -0.32 118.68 127.41 1quw s LEU 77 Ca -0.10 0.76 0.04 0.00 -2.89 0.00 0.00 54.13 51.94 1quw s LEU 77 Cb -0.13 -2.62 -0.00 0.00 0.66 0.00 0.00 46.19 44.10 1quw s LEU 77 CO -0.00 0.05 -0.23 -0.36 -1.89 0.00 0.00 176.35 173.92 1quw s PHE 78 N 0.44 2.38 -0.01 5.38 0.40 0.17 0.11 117.98 126.85 1quw s PHE 78 Ca 0.24 -0.88 -0.02 0.00 -0.60 0.00 0.00 56.93 55.67 1quw s PHE 78 Cb -0.15 -1.59 -0.01 0.00 0.51 0.00 0.00 43.02 41.79 1quw s PHE 78 CO 0.09 -0.33 -0.04 1.17 0.70 0.00 0.00 175.22 176.81 1quw n LYS 79 N 3.35 0.06 -2.41 0.44 4.81 -1.19 0.06 118.16 123.28 1quw n LYS 79 Ca -0.19 0.02 -0.29 0.00 -0.87 0.00 0.00 58.31 56.99 1quw n LYS 79 Cb 0.53 -0.46 0.01 0.00 0.02 0.00 0.00 35.03 35.12 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 2.16 5.94 1.51 3.14 0.00 -1.25 -4.07 105.19 112.61 1quw n GLY 80 Ca -0.02 -2.73 -0.02 0.00 0.00 0.00 0.00 46.02 43.26 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 -0.48 0.62 3.59 -0.02 0.00 -0.24 -4.75 105.19 103.91 1quw n GLY 81 Ca 0.41 -0.52 -0.03 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 -4.70 0.48 -0.18 1.61 3.00 -1.26 -4.98 118.95 112.92 1quw s ARG 82 Ca 0.03 0.96 -0.29 0.00 -1.00 0.00 0.00 55.73 55.43 1quw s ARG 82 Cb -0.01 0.31 -0.03 0.00 0.00 0.00 0.00 34.95 35.21 1quw s ARG 82 CO 0.07 -0.12 1.58 -1.25 0.00 0.00 0.00 175.30 175.58 1quw s PRO 83 N 1.92 3.93 -0.07 5.12 0.04 -1.26 -3.17 135.00 141.51 1quw s PRO 83 Ca -0.07 1.77 -0.24 0.00 0.04 0.00 0.00 61.00 62.49 1quw s PRO 83 Cb -0.06 -3.99 -0.20 0.00 0.04 0.00 0.00 34.50 30.29 1quw s PRO 83 CO -0.17 -1.13 0.92 0.28 0.04 0.00 0.00 177.00 176.94 1quw h VAL 84 N 5.94 1.30 -4.06 -0.36 2.07 0.47 -3.48 116.25 118.14 1quw h VAL 84 Ca -0.34 -1.54 -0.12 0.00 0.82 0.00 0.00 66.70 65.52 1quw h VAL 84 Cb 1.15 2.26 -0.14 0.00 -1.52 0.00 0.00 31.29 33.04 1quw h VAL 84 CO 0.99 0.37 -0.50 -0.54 0.02 0.00 0.00 177.57 177.90 1quw s LYS 85 N -3.19 0.84 -0.08 1.57 1.02 -1.24 -4.98 119.74 113.69 1quw s LYS 85 Ca -0.15 -1.16 -0.03 0.00 0.02 0.00 0.00 55.97 54.65 1quw s LYS 85 Cb -0.00 0.29 0.04 0.00 -0.52 0.00 0.00 37.83 37.64 1quw s LYS 85 CO 0.59 -0.25 0.10 -1.14 -0.92 0.00 0.00 175.35 173.73 1quw s GLN 86 N -3.93 -0.02 0.21 1.68 0.74 -1.26 -2.14 119.66 114.95 1quw s GLN 86 Ca 0.11 0.38 0.09 0.00 0.05 0.00 0.00 55.36 55.98 1quw s GLN 86 Cb 0.06 -0.62 -0.05 0.00 1.10 0.00 0.00 33.01 33.50 1quw s GLN 86 CO -0.07 -0.38 -0.17 -0.48 -0.55 0.00 0.00 175.29 173.65 1quw s LEU 87 N 2.21 2.54 0.04 3.68 2.34 -0.78 -5.04 118.68 123.68 1quw s LEU 87 Ca 0.04 -0.99 -0.01 0.00 0.06 0.00 0.00 54.13 53.23 1quw s LEU 87 Cb -0.13 -0.81 -0.03 0.00 -0.56 0.00 0.00 46.19 44.66 1quw s LEU 87 CO -0.05 -0.09 -0.03 0.27 -1.06 0.00 0.00 176.35 175.39 1quw s ILE 88 N -2.68 0.18 0.00 1.48 -0.00 -1.26 -1.79 121.20 117.13 1quw s ILE 88 Ca 0.23 -1.49 0.00 0.00 -0.00 0.00 0.00 60.65 59.39 1quw s ILE 88 Cb -0.03 -1.08 0.00 0.00 -0.00 0.00 0.00 42.46 41.36 1quw s ILE 88 CO 0.09 -0.82 0.00 0.61 -0.00 0.00 0.00 174.94 174.81 1quw n GLY 89 N 0.63 -1.83 3.72 6.27 0.00 -0.79 -4.85 105.19 108.35 1quw n GLY 89 Ca -0.18 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 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 3.73 -0.16 1.61 5.04 -1.26 -4.41 117.35 121.90 1quw s TYR 90 Ca 0.00 1.66 -0.02 0.00 -2.44 0.00 0.00 57.07 56.27 1quw s TYR 90 Cb 0.00 -3.01 0.05 0.00 0.35 0.00 0.00 41.96 39.35 1quw s TYR 90 CO 0.00 0.14 -0.01 1.14 -1.34 0.00 0.00 175.55 175.49 1quw s GLN 91 N 0.38 0.95 1.22 4.97 0.00 -1.26 -5.11 119.66 120.80 1quw s GLN 91 Ca 0.46 -0.36 -0.16 0.00 -0.00 0.00 0.00 55.36 55.30 1quw s GLN 91 Cb -0.22 -1.84 0.27 0.00 0.00 0.00 0.00 33.01 31.22 1quw s GLN 91 CO 0.27 -0.49 0.73 -2.30 0.00 0.00 0.00 175.29 173.50 1quw n PRO 92 N 5.00 -2.72 0.29 9.60 -0.02 -1.26 -4.51 135.00 141.37 1quw n PRO 92 Ca -0.10 -0.78 0.14 0.00 -2.02 0.00 0.00 63.50 60.75 1quw n PRO 92 Cb 0.48 -1.99 0.86 0.00 -0.02 0.00 0.00 33.50 32.83 1quw n PRO 92 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1quw h LYS 93 N -2.73 0.00 -0.57 -0.52 -0.00 -1.98 0.23 116.57 110.99 1quw h LYS 93 Ca -0.57 0.00 -0.04 0.00 -0.00 0.00 0.00 60.65 60.04 1quw h LYS 93 Cb 1.33 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 33.53 1quw h LYS 93 CO 0.43 0.03 0.20 0.93 -0.00 0.00 0.00 179.45 181.03 1quw h GLU 94 N 0.00 0.84 0.23 0.07 5.08 -1.99 0.28 114.58 119.08 1quw h GLU 94 Ca -0.00 -0.14 -0.33 0.00 -1.00 0.00 0.00 59.36 57.88 1quw h GLU 94 Cb 0.07 -0.14 0.04 0.00 0.50 0.00 0.00 28.75 29.21 1quw h GLU 94 CO 0.00 0.72 -1.44 1.96 -1.00 0.00 0.00 179.01 179.25 1quw h GLN 95 N 0.83 0.57 0.55 2.33 1.08 -1.22 -3.16 115.11 116.07 1quw h GLN 95 Ca 0.19 -0.92 -0.02 0.00 -1.45 0.00 0.00 58.65 56.45 1quw h GLN 95 Cb 0.21 0.34 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 1quw h GLN 95 CO -0.01 1.44 -0.34 -0.07 -0.95 0.00 0.00 178.83 178.89 1quw h LEU 96 N 0.18 -0.86 -0.53 1.46 -0.00 -0.49 -2.43 115.31 112.63 1quw h LEU 96 Ca -0.25 0.05 0.01 0.00 -0.00 0.00 0.00 57.88 57.69 1quw h LEU 96 Cb 2.13 0.26 -0.03 0.00 -0.00 0.00 0.00 40.66 43.02 1quw h LEU 96 CO 0.27 -0.54 0.34 -0.33 -0.00 0.00 0.00 178.44 178.19 1quw h GLU 97 N -0.85 0.68 -0.25 1.13 5.08 -0.57 0.50 114.58 120.30 1quw h GLU 97 Ca -0.06 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1quw h GLU 97 Cb 0.69 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1quw h GLU 97 CO 0.06 0.45 0.15 0.00 -1.00 0.00 0.00 179.01 178.67 1quw h ALA 98 N 1.20 0.32 -0.24 3.43 0.00 -1.62 -1.04 119.26 121.32 1quw h ALA 98 Ca 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1quw h ALA 98 Cb -0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1quw h ALA 98 CO -0.05 -0.17 0.12 0.37 0.00 0.00 0.00 179.25 179.52 1quw h GLN 99 N 0.31 0.34 0.00 0.00 5.75 -0.83 -3.14 115.11 117.54 1quw h GLN 99 Ca 0.09 -0.05 -0.13 0.00 -0.15 0.00 0.00 58.65 58.41 1quw h GLN 99 Cb 0.03 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 1quw h GLN 99 CO -0.02 0.34 -0.62 -0.07 -2.65 0.00 0.00 178.83 175.82 1quw h LEU 100 N 0.26 0.00 -2.08 -2.39 -0.00 0.04 -2.96 115.31 108.17 1quw h LEU 100 Ca 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.96 1quw h LEU 100 Cb 0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.77 1quw h LEU 100 CO -0.01 0.62 -0.00 0.00 -0.00 0.00 0.00 178.44 179.05 1quw h ALA 101 N 1.38 1.91 -0.35 1.53 0.00 -1.14 0.14 119.26 122.73 1quw h ALA 101 Ca -0.01 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1quw h ALA 101 Cb 1.18 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1quw h ALA 101 CO 0.08 0.01 -0.33 0.22 0.00 0.00 0.00 179.25 179.22 1quw h ASP 102 N 0.00 0.90 0.68 0.00 1.82 -1.56 -3.15 116.42 115.12 1quw h ASP 102 Ca -0.00 -0.46 -0.26 0.00 -0.39 0.00 0.00 57.03 55.91 1quw h ASP 102 Cb 0.01 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 39.73 1quw h ASP 102 CO 0.00 1.18 -1.38 -0.37 -1.61 0.00 0.00 179.24 177.05 1quw h VAL 103 N 0.64 1.27 0.00 2.25 -1.51 -1.43 -3.35 116.25 114.11 1quw h VAL 103 Ca 0.06 -3.01 -0.17 0.00 -1.23 0.00 0.00 66.70 62.35 1quw h VAL 103 Cb 0.92 2.67 -0.02 0.00 -2.13 0.00 0.00 31.29 32.73 1quw h VAL 103 CO 0.08 0.77 -0.79 -0.07 -1.23 0.00 0.00 177.57 176.33 1quw h LEU 104 N 0.02 0.00 0.00 4.19 3.38 -0.84 -3.48 115.31 118.58 1quw h LEU 104 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1quw h LEU 104 Cb 1.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.67 1quw h LEU 104 CO 0.12 0.79 0.00 0.00 0.09 0.00 0.00 178.44 179.44