#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 4.95 0.73 0.00 -4.23 -1.26 -4.82 115.64 111.00 1quw s THR 2 Ca 0.00 0.18 -0.07 0.00 -1.18 0.00 0.00 61.69 60.62 1quw s THR 2 Cb 0.00 -3.76 0.07 0.00 1.34 0.00 0.00 72.50 70.15 1quw s THR 2 CO 0.00 -0.46 1.04 -0.32 -0.54 0.00 0.00 174.62 174.34 1quw s MET 3 N -3.85 2.06 -0.19 3.99 -2.45 0.47 -4.96 119.30 114.37 1quw s MET 3 Ca 0.46 -0.29 -0.03 0.00 -1.25 0.00 0.00 55.69 54.58 1quw s MET 3 Cb -0.10 -2.15 0.06 0.00 1.25 0.00 0.00 34.83 33.89 1quw s MET 3 CO 0.33 -1.34 0.03 0.99 1.05 0.00 0.00 175.02 176.08 1quw s THR 4 N -3.30 0.55 0.61 10.11 2.01 -1.26 -1.40 115.64 122.95 1quw s THR 4 Ca 0.61 -0.57 0.07 0.00 0.31 0.00 0.00 61.69 62.11 1quw s THR 4 Cb -0.10 -1.05 0.10 0.00 0.01 0.00 0.00 72.50 71.46 1quw s THR 4 CO 0.45 -0.21 0.84 -0.76 -0.69 0.00 0.00 174.62 174.26 1quw s LEU 5 N 1.85 3.07 0.26 4.42 1.02 -0.37 -4.80 118.68 124.13 1quw s LEU 5 Ca -0.01 -0.74 -0.18 0.00 0.02 0.00 0.00 54.13 53.23 1quw s LEU 5 Cb -0.17 -1.70 0.01 0.00 0.02 0.00 0.00 46.19 44.35 1quw s LEU 5 CO -0.08 -1.48 0.61 0.28 0.02 0.00 0.00 176.35 175.71 1quw s THR 6 N -2.78 0.00 0.26 5.49 -1.32 -1.26 -4.36 115.64 111.67 1quw s THR 6 Ca 0.63 -1.16 -0.09 0.00 -1.21 0.00 0.00 61.69 59.86 1quw s THR 6 Cb -0.06 -2.07 0.41 0.00 -1.51 0.00 0.00 72.50 69.27 1quw s THR 6 CO 0.40 -0.00 1.51 -0.90 -2.21 0.00 0.00 174.62 173.42 1quw n ASP 7 N -0.42 -0.40 -0.00 8.08 5.75 -1.26 0.50 116.55 128.79 1quw n ASP 7 Ca -0.03 1.67 -0.19 0.00 -0.01 0.00 0.00 54.79 56.23 1quw n ASP 7 Cb 0.60 -0.48 -0.14 0.00 -1.03 0.00 0.00 41.12 40.07 1quw n ASP 7 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1quw n ALA 8 N -3.62 1.02 0.07 2.12 0.00 -1.26 -3.57 120.51 115.28 1quw n ALA 8 Ca 0.15 -0.65 -0.05 0.00 0.00 0.00 0.00 53.44 52.89 1quw n ALA 8 Cb 0.47 -0.69 0.15 0.00 0.00 0.00 0.00 19.45 19.38 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 0.06 0.34 0.03 0.00 -1.24 -1.87 -3.07 115.58 109.82 1quw h ASN 9 Ca -0.40 -0.17 0.03 0.00 0.71 0.00 0.00 56.30 56.47 1quw h ASN 9 Cb 2.03 -0.10 -0.04 0.00 0.73 0.00 0.00 38.32 40.94 1quw h ASN 9 CO 0.08 0.78 -0.25 0.15 -1.29 0.00 0.00 177.43 176.90 1quw h PHE 10 N 0.25 -0.68 -0.46 0.67 3.57 -0.08 0.63 116.94 120.83 1quw h PHE 10 Ca 0.01 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 1quw h PHE 10 Cb 0.97 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 1quw h PHE 10 CO 0.02 -0.35 0.13 1.96 -2.23 0.00 0.00 178.31 177.84 1quw h GLN 11 N -0.41 0.69 -0.01 1.11 1.08 -1.60 -1.17 115.11 114.80 1quw h GLN 11 Ca 0.05 -0.12 -0.16 0.00 -1.45 0.00 0.00 58.65 56.97 1quw h GLN 11 Cb 0.48 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 1quw h GLN 11 CO -0.20 0.61 -0.75 0.37 -0.95 0.00 0.00 178.83 177.91 1quw h GLN 12 N 0.67 0.07 -0.37 1.46 4.15 -1.40 -3.13 115.11 116.57 1quw h GLN 12 Ca 0.15 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.48 1quw h GLN 12 Cb 0.23 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 1quw h GLN 12 CO -0.01 0.79 0.12 0.00 -1.93 0.00 0.00 178.83 177.80 1quw h ALA 13 N 1.19 0.49 0.00 3.38 0.00 0.15 -3.07 119.26 121.40 1quw h ALA 13 Ca -0.02 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 1quw h ALA 13 Cb 1.32 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1quw h ALA 13 CO 0.10 0.13 -0.70 -0.84 0.00 0.00 0.00 179.25 177.94 1quw h ILE 14 N 0.45 1.36 0.00 0.00 3.07 -1.50 -3.06 117.51 117.83 1quw h ILE 14 Ca 0.12 -2.53 0.00 0.00 1.55 0.00 0.00 64.86 64.00 1quw h ILE 14 Cb 0.25 2.42 0.00 0.00 -0.27 0.00 0.00 36.82 39.22 1quw h ILE 14 CO -0.00 0.69 0.00 0.00 -1.05 0.00 0.00 178.15 177.78 1quw n GLN 15 N -3.49 0.04 0.00 0.16 1.13 -1.17 -2.27 117.38 111.79 1quw n GLN 15 Ca -0.00 0.32 0.00 0.00 -1.94 0.00 0.00 57.00 55.38 1quw n GLN 15 Cb 0.74 -1.59 0.00 0.00 0.11 0.00 0.00 30.24 29.50 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 -0.19 -2.90 1.49 1.08 0.00 -1.16 -4.73 105.19 98.78 1quw n GLY 16 Ca 0.03 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.49 -0.12 -4.99 1.61 5.75 -1.26 -5.01 116.55 112.04 1quw n ASP 17 Ca 0.00 0.03 -0.19 0.00 -0.01 0.00 0.00 54.79 54.62 1quw n ASP 17 Cb 0.00 0.47 0.03 0.00 -1.03 0.00 0.00 41.12 40.59 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 -2.00 2.61 0.38 0.11 -2.85 -1.26 -4.40 119.74 112.34 1quw s LYS 18 Ca 0.00 -1.26 -0.28 0.00 -1.00 0.00 0.00 55.97 53.43 1quw s LYS 18 Cb 0.00 -2.67 -0.11 0.00 -2.06 0.00 0.00 37.83 32.99 1quw s LYS 18 CO 0.00 -0.53 1.49 -2.30 0.10 0.00 0.00 175.35 174.11 1quw n PRO 19 N -2.06 2.67 -3.54 1.78 -0.02 -1.26 -4.54 135.00 128.03 1quw n PRO 19 Ca 0.10 0.94 -0.18 0.00 -2.02 0.00 0.00 63.50 62.34 1quw n PRO 19 Cb 0.60 -2.68 -0.14 0.00 -0.02 0.00 0.00 33.50 31.27 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 -1.12 -0.31 -0.12 -1.45 1.01 -0.00 -4.33 120.40 114.08 1quw s VAL 20 Ca 0.53 -0.01 -0.27 0.00 0.00 0.00 0.00 61.98 62.24 1quw s VAL 20 Cb -0.47 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 1quw s VAL 20 CO 0.64 -0.12 0.88 -0.22 0.00 0.00 0.00 175.10 176.27 1quw s LEU 21 N 2.32 4.23 -0.20 3.92 2.96 -0.34 -1.70 118.68 129.88 1quw s LEU 21 Ca 0.05 1.32 -0.08 0.00 -0.22 0.00 0.00 54.13 55.21 1quw s LEU 21 Cb -0.15 -3.34 -0.04 0.00 0.50 0.00 0.00 46.19 43.17 1quw s LEU 21 CO -0.11 -0.36 0.08 -0.69 -1.32 0.00 0.00 176.35 173.95 1quw s VAL 22 N 1.80 4.79 -0.36 1.68 1.01 -0.17 -0.29 120.40 128.87 1quw s VAL 22 Ca 0.42 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.25 1quw s VAL 22 Cb -0.18 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1quw s VAL 22 CO 0.16 0.42 0.23 -1.81 0.00 0.00 0.00 175.10 174.11 1quw s ASP 23 N 0.66 5.91 -0.15 3.32 1.01 -0.12 -1.93 116.67 125.38 1quw s ASP 23 Ca 0.04 -0.69 -0.20 0.00 0.71 0.00 0.00 52.55 52.41 1quw s ASP 23 Cb -0.13 -2.10 -0.03 0.00 1.01 0.00 0.00 42.92 41.67 1quw s ASP 23 CO 0.02 -0.32 0.58 -0.36 0.21 0.00 0.00 175.17 175.30 1quw s PHE 24 N 1.66 3.46 0.36 4.23 0.40 0.76 -1.68 117.98 127.16 1quw s PHE 24 Ca 0.05 0.96 -0.11 0.00 -0.60 0.00 0.00 56.93 57.23 1quw s PHE 24 Cb -0.18 -2.71 0.03 0.00 0.51 0.00 0.00 43.02 40.67 1quw s PHE 24 CO 0.09 -0.01 0.65 1.67 0.70 0.00 0.00 175.22 178.32 1quw s TRP 25 N 1.27 0.48 0.04 0.36 1.48 -1.07 -1.82 118.94 119.67 1quw s TRP 25 Ca 0.29 -0.96 -0.01 0.00 -1.06 0.00 0.00 56.10 54.36 1quw s TRP 25 Cb -0.16 0.45 -0.03 0.00 -1.16 0.00 0.00 33.47 32.57 1quw s TRP 25 CO 0.12 -1.36 -0.01 0.00 -4.06 0.00 0.00 176.95 171.64 1quw s ALA 26 N -2.76 0.25 0.24 2.67 0.00 -1.26 -2.07 121.76 118.84 1quw s ALA 26 Ca 0.21 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.36 1quw s ALA 26 Cb -0.03 0.22 0.25 0.00 0.00 0.00 0.00 23.12 23.56 1quw s ALA 26 CO 0.15 -0.27 1.58 0.00 0.00 0.00 0.00 175.76 177.21 1quw h ALA 27 N 3.87 0.86 0.00 0.00 0.00 -2.01 -2.48 119.26 119.51 1quw h ALA 27 Ca -0.33 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1quw h ALA 27 Cb 1.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1quw h ALA 27 CO 0.53 0.69 0.00 -2.67 0.00 0.00 0.00 179.25 177.79 1quw n TRP 28 N -3.93 0.14 -2.08 0.00 4.27 -1.26 -4.86 117.44 109.72 1quw n TRP 28 Ca -0.02 0.05 -0.41 0.00 -3.89 0.00 0.00 57.50 53.23 1quw n TRP 28 Cb 0.58 -0.58 -0.02 0.00 -1.36 0.00 0.00 31.31 29.93 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 3.84 0.00 1.60 0.00 0.00 -1.89 -3.40 103.07 103.23 1quw h GLY 30 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1quw h GLY 30 CO 0.69 0.00 0.00 -1.55 0.00 0.00 0.00 176.54 175.68 1quw n PRO 31 N -4.58 0.30 0.30 4.80 -0.04 -1.26 -2.01 135.00 132.51 1quw n PRO 31 Ca -0.13 0.08 0.19 0.00 -0.04 0.00 0.00 63.50 63.59 1quw n PRO 31 Cb 0.36 -1.50 0.88 0.00 -0.04 0.00 0.00 33.50 33.20 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 0.23 0.00 -0.00 -1.64 -2.50 114.38 110.47 1quw h ARG 33 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.47 1quw h ARG 33 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.29 1quw h ARG 33 CO 0.00 0.28 -0.11 0.52 0.00 0.00 0.00 179.97 180.66 1quw h MET 34 N 0.00 -0.30 0.00 0.04 2.86 -1.58 -2.52 114.93 113.43 1quw h MET 34 Ca -0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1quw h MET 34 Cb 0.78 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1quw h MET 34 CO 0.04 -0.18 0.00 0.00 1.06 0.00 0.00 176.91 177.82 1quw n MET 35 N -5.21 0.76 0.21 1.72 0.00 -1.20 -4.11 117.12 109.29 1quw n MET 35 Ca -0.09 0.00 -0.17 0.00 0.00 0.00 0.00 57.70 57.44 1quw n MET 35 Cb 0.16 -1.50 -0.09 0.00 0.00 0.00 0.00 33.22 31.78 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 -1.03 0.00 3.17 0.00 -0.98 0.30 119.26 124.44 1quw h ALA 36 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1quw h ALA 36 Cb 0.10 0.77 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1quw h ALA 36 CO 0.00 -1.13 -0.10 -1.00 0.00 0.00 0.00 179.25 177.02 1quw h PRO 37 N -0.87 0.00 -0.41 0.00 0.13 -1.74 -1.48 132.00 127.63 1quw h PRO 37 Ca -0.03 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.06 1quw h PRO 37 Cb 0.81 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 1quw h PRO 37 CO -0.16 0.10 0.11 0.28 -0.23 0.00 0.00 178.00 178.10 1quw h VAL 38 N 0.00 1.22 -0.00 1.56 2.07 -1.56 -1.51 116.25 118.03 1quw h VAL 38 Ca -0.00 -0.75 -0.17 0.00 0.82 0.00 0.00 66.70 66.60 1quw h VAL 38 Cb 0.55 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1quw h VAL 38 CO 0.01 0.26 -0.79 -0.07 0.02 0.00 0.00 177.57 177.01 1quw h LEU 39 N 0.52 0.08 -0.33 2.57 3.38 0.01 0.89 115.31 122.43 1quw h LEU 39 Ca 0.13 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1quw h LEU 39 Cb 0.29 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1quw h LEU 39 CO -0.00 0.83 0.10 -0.33 0.09 0.00 0.00 178.44 179.13 1quw h GLU 40 N 0.04 0.52 -0.59 1.13 4.39 -1.25 -0.27 114.58 118.55 1quw h GLU 40 Ca -0.02 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 1quw h GLU 40 Cb 1.39 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.94 1quw h GLU 40 CO 0.11 0.57 0.30 0.93 -1.16 0.00 0.00 179.01 179.75 1quw h GLU 41 N 0.38 0.81 -0.39 2.33 4.39 -1.15 -3.00 114.58 117.96 1quw h GLU 41 Ca 0.11 -0.09 -0.15 0.00 0.34 0.00 0.00 59.36 59.56 1quw h GLU 41 Cb 0.27 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1quw h GLU 41 CO -0.00 0.62 -0.35 0.35 -1.16 0.00 0.00 179.01 178.46 1quw h PHE 42 N 0.82 1.07 0.00 4.33 3.57 -0.35 -0.15 116.94 126.22 1quw h PHE 42 Ca 0.21 -0.31 -0.07 0.00 3.53 0.00 0.00 57.97 61.33 1quw h PHE 42 Cb 0.06 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 1quw h PHE 42 CO 0.01 1.12 -0.31 0.00 -2.23 0.00 0.00 178.31 176.89 1quw h ALA 43 N 0.85 1.44 -0.01 2.41 0.00 -0.98 -1.84 119.26 121.12 1quw h ALA 43 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1quw h ALA 43 Cb 0.93 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1quw h ALA 43 CO 0.09 0.39 -0.31 0.39 0.00 0.00 0.00 179.25 179.81 1quw n GLU 44 N -4.10 0.81 -0.01 0.00 1.02 -1.08 -1.75 120.64 115.52 1quw n GLU 44 Ca -0.02 -0.51 -0.11 0.00 -0.02 0.00 0.00 57.16 56.51 1quw n GLU 44 Cb 0.36 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 30.21 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 3.64 -0.09 0.01 0.62 0.00 -0.17 -3.40 119.26 119.88 1quw h ALA 45 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 54.91 54.32 1quw h ALA 45 Cb 0.53 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1quw h ALA 45 CO 0.00 -0.15 -1.63 0.72 0.00 0.00 0.00 179.25 178.19 1quw n HIS 46 N -4.78 0.81 0.00 0.00 8.25 -1.09 -4.94 115.22 113.46 1quw n HIS 46 Ca -0.07 0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 1quw n HIS 46 Cb 0.30 -1.08 0.00 0.00 1.12 0.00 0.00 29.99 30.33 1quw n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1quw n ALA 47 N -3.54 0.00 0.57 -1.41 0.00 -0.72 -3.81 120.51 111.60 1quw n ALA 47 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1quw n ALA 47 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.22 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 3.20 3.45 0.00 0.00 5.75 -1.26 -3.70 116.55 123.99 1quw n ASP 48 Ca 0.00 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 1quw n ASP 48 Cb 0.00 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 39.45 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 0.79 0.00 -3.72 0.11 3.00 -1.25 -5.11 118.16 111.98 1quw n LYS 49 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.97 1quw n LYS 49 Cb 0.48 -0.07 -0.05 0.00 0.00 0.00 0.00 35.03 35.38 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 -1.52 5.24 -0.49 3.15 0.11 -1.24 -4.78 120.40 120.87 1quw s VAL 50 Ca 0.00 0.19 0.03 0.00 -2.93 0.00 0.00 61.98 59.28 1quw s VAL 50 Cb 0.00 -3.59 0.14 0.00 -1.53 0.00 0.00 36.38 31.39 1quw s VAL 50 CO 0.00 0.31 0.27 -0.89 -3.33 0.00 0.00 175.10 171.45 1quw s THR 51 N -1.37 1.98 -0.73 5.04 2.01 -1.26 -4.52 115.64 116.79 1quw s THR 51 Ca 0.30 -3.00 -0.27 0.00 0.31 0.00 0.00 61.69 59.04 1quw s THR 51 Cb -0.13 -2.37 0.03 0.00 0.01 0.00 0.00 72.50 70.04 1quw s THR 51 CO 0.18 -0.87 1.26 0.68 -0.69 0.00 0.00 174.62 175.17 1quw s VAL 52 N -0.05 3.77 0.35 3.82 -7.23 -1.25 -1.20 120.40 118.61 1quw s VAL 52 Ca 0.18 0.36 0.06 0.00 -1.81 0.00 0.00 61.98 60.77 1quw s VAL 52 Cb -0.23 -4.90 0.06 0.00 0.56 0.00 0.00 36.38 31.87 1quw s VAL 52 CO -0.01 -1.82 0.49 0.00 -0.31 0.00 0.00 175.10 173.45 1quw n ALA 53 N 9.24 0.73 -3.67 1.32 0.00 0.60 -0.39 120.51 128.34 1quw n ALA 53 Ca 0.03 -1.27 -0.26 0.00 0.00 0.00 0.00 53.44 51.94 1quw n ALA 53 Cb 0.49 0.34 -0.17 0.00 0.00 0.00 0.00 19.45 20.11 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 -3.61 0.29 -0.22 0.00 -0.14 -0.50 -0.94 119.74 114.63 1quw s LYS 54 Ca 0.37 -0.14 -0.07 0.00 -1.36 0.00 0.00 55.97 54.78 1quw s LYS 54 Cb -0.03 -1.73 -0.03 0.00 -1.68 0.00 0.00 37.83 34.36 1quw s LYS 54 CO 0.24 -0.60 0.05 -1.17 -0.76 0.00 0.00 175.35 173.11 1quw s LEU 55 N 2.03 3.46 -0.47 3.17 1.98 -0.67 -1.24 118.68 126.94 1quw s LEU 55 Ca 0.02 -0.15 -0.29 0.00 -2.89 0.00 0.00 54.13 50.82 1quw s LEU 55 Cb -0.16 -1.90 0.02 0.00 0.66 0.00 0.00 46.19 44.82 1quw s LEU 55 CO -0.08 0.03 1.22 0.20 -1.89 0.00 0.00 176.35 175.83 1quw s ASN 56 N 1.20 6.53 0.35 3.68 -0.87 -1.26 -2.59 114.94 121.98 1quw s ASN 56 Ca 0.04 0.52 0.24 0.00 -1.57 0.00 0.00 52.86 52.09 1quw s ASN 56 Cb -0.14 -2.55 0.52 0.00 -0.02 0.00 0.00 41.25 39.06 1quw s ASN 56 CO 0.03 -1.33 1.68 1.62 -2.57 0.00 0.00 177.10 176.52 1quw h VAL 57 N 6.30 0.00 0.16 1.60 3.04 -1.67 0.97 116.25 126.64 1quw h VAL 57 Ca -0.24 -0.80 -0.29 0.00 -1.01 0.00 0.00 66.70 64.36 1quw h VAL 57 Cb 1.07 1.80 0.01 0.00 -2.01 0.00 0.00 31.29 32.16 1quw h VAL 57 CO 1.12 0.00 -1.32 -0.78 -1.01 0.00 0.00 177.57 175.59 1quw h ASP 58 N 0.00 0.52 0.03 3.17 3.58 -1.89 -3.36 116.42 118.47 1quw h ASP 58 Ca 0.00 -0.57 -0.07 0.00 0.42 0.00 0.00 57.03 56.81 1quw h ASP 58 Cb 0.90 -0.17 0.01 0.00 1.72 0.00 0.00 39.33 41.79 1quw h ASP 58 CO 0.00 1.45 -0.31 -0.08 -2.88 0.00 0.00 179.24 177.42 1quw h GLU 59 N 0.09 0.15 -5.06 0.28 4.81 -1.90 -3.44 114.58 109.51 1quw h GLU 59 Ca -0.17 -0.21 -0.65 0.00 -0.13 0.00 0.00 59.36 58.21 1quw h GLU 59 Cb 2.02 0.07 -0.16 0.00 0.63 0.00 0.00 28.75 31.31 1quw h GLU 59 CO 0.22 1.02 -0.25 -0.80 -0.73 0.00 0.00 179.01 178.46 1quw s ASN 60 N -6.44 6.22 0.00 1.04 0.01 0.32 -4.95 114.94 111.14 1quw s ASN 60 Ca -0.16 0.01 0.20 0.00 -0.71 0.00 0.00 52.86 52.20 1quw s ASN 60 Cb -0.00 -2.21 0.45 0.00 0.41 0.00 0.00 41.25 39.90 1quw s ASN 60 CO 0.75 -0.28 1.38 -0.81 -1.51 0.00 0.00 177.10 176.63 1quw n PRO 61 N 5.39 2.49 -0.02 -0.60 -0.04 -1.26 -4.44 135.00 136.52 1quw n PRO 61 Ca -0.09 -2.29 -0.20 0.00 -0.04 0.00 0.00 63.50 60.88 1quw n PRO 61 Cb 0.50 -1.47 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 1quw n PRO 61 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1quw n GLU 62 N 1.33 0.74 0.11 0.54 -0.00 -1.26 -4.04 120.64 118.05 1quw n GLU 62 Ca 0.19 0.24 -0.02 0.00 -0.00 0.00 0.00 57.16 57.57 1quw n GLU 62 Cb 0.56 -1.67 0.01 0.00 -0.00 0.00 0.00 31.44 30.34 1quw n GLU 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1quw h THR 63 N 0.06 1.33 -0.08 3.84 1.03 -1.92 -3.17 112.91 114.00 1quw h THR 63 Ca -0.45 -2.70 -0.03 0.00 -0.01 0.00 0.00 66.41 63.21 1quw h THR 63 Cb 2.01 2.54 -0.01 0.00 -1.07 0.00 0.00 68.15 71.62 1quw h THR 63 CO 0.05 0.72 -0.09 0.00 -0.01 0.00 0.00 175.52 176.19 1quw h THR 64 N 0.00 1.12 0.00 0.00 1.03 -1.78 -1.73 112.91 111.56 1quw h THR 64 Ca -0.01 -0.53 -0.19 0.00 -0.01 0.00 0.00 66.41 65.67 1quw h THR 64 Cb 1.48 1.17 -0.03 0.00 -1.07 0.00 0.00 68.15 69.70 1quw h THR 64 CO 0.10 0.16 -0.92 -1.28 -0.01 0.00 0.00 175.52 173.57 1quw h SER 65 N 0.12 0.00 -0.14 0.00 0.87 -1.69 -0.40 113.55 112.30 1quw h SER 65 Ca 0.03 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 1quw h SER 65 Cb 0.25 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1quw h SER 65 CO 0.01 0.92 -0.07 1.56 -0.53 0.00 0.00 176.83 178.72 1quw h GLN 66 N 0.00 0.30 0.00 2.24 1.08 -1.35 -3.35 115.11 114.03 1quw h GLN 66 Ca -0.01 -0.13 -0.04 0.00 -1.45 0.00 0.00 58.65 57.02 1quw h GLN 66 Cb 1.71 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 29.12 1quw h GLN 66 CO 0.12 0.63 -1.93 1.19 -0.95 0.00 0.00 178.83 177.89 1quw n PHE 67 N -4.65 0.11 -1.45 2.96 3.72 -0.72 -5.05 117.46 112.38 1quw n PHE 67 Ca -0.06 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1quw n PHE 67 Cb 0.29 -0.60 0.00 0.00 -0.94 0.00 0.00 39.48 38.23 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 1.30 -2.44 3.21 1.37 0.00 -0.17 -5.00 105.19 103.46 1quw n GLY 68 Ca -0.06 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.14 4.14 -1.03 -0.61 -1.09 -1.14 -4.86 121.20 116.47 1quw s ILE 69 Ca 0.00 -1.80 0.12 0.00 -2.23 0.00 0.00 60.65 56.74 1quw s ILE 69 Cb 0.00 -3.74 0.35 0.00 -1.58 0.00 0.00 42.46 37.49 1quw s ILE 69 CO 0.00 -0.77 1.29 0.23 -1.23 0.00 0.00 174.94 174.46 1quw n MET 70 N 4.89 2.86 -3.54 2.79 2.81 -1.26 -4.93 117.12 120.74 1quw n MET 70 Ca -0.08 -2.13 0.00 0.00 -1.81 0.00 0.00 57.70 53.69 1quw n MET 70 Cb 0.41 -1.31 -0.04 0.00 -0.71 0.00 0.00 33.22 31.57 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 -1.01 -0.95 0.08 7.83 0.15 -1.26 -5.16 113.70 113.38 1quw s SER 71 Ca 0.26 1.26 0.01 0.00 0.70 0.00 0.00 55.95 58.18 1quw s SER 71 Cb 0.14 2.06 -0.04 0.00 -1.71 0.00 0.00 66.02 66.47 1quw s SER 71 CO 0.18 -0.18 0.21 0.27 1.20 0.00 0.00 173.24 174.91 1quw s ILE 72 N 2.74 5.28 0.16 6.45 -5.25 -1.26 -3.84 121.20 125.49 1quw s ILE 72 Ca -0.04 -0.48 -0.22 0.00 -0.99 0.00 0.00 60.65 58.92 1quw s ILE 72 Cb -0.10 -3.60 -0.08 0.00 2.95 0.00 0.00 42.46 41.64 1quw s ILE 72 CO -0.18 0.10 0.72 -2.16 -1.79 0.00 0.00 174.94 171.62 1quw s PRO 73 N -2.61 4.39 -0.20 0.37 0.04 -1.26 -4.70 135.00 131.03 1quw s PRO 73 Ca 0.34 0.98 -0.03 0.00 0.04 0.00 0.00 61.00 62.33 1quw s PRO 73 Cb -0.13 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 1quw s PRO 73 CO 0.27 0.53 -0.06 0.99 0.04 0.00 0.00 177.00 178.78 1quw s THR 74 N -1.26 3.38 -0.19 1.26 2.01 -0.76 -0.10 115.64 119.98 1quw s THR 74 Ca 0.36 -0.51 -0.07 0.00 0.31 0.00 0.00 61.69 61.79 1quw s THR 74 Cb -0.20 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 1quw s THR 74 CO 0.23 0.45 0.05 -0.76 -0.69 0.00 0.00 174.62 173.90 1quw s LEU 75 N 1.13 3.62 -0.04 4.42 2.01 -0.41 -0.17 118.68 129.23 1quw s LEU 75 Ca 0.01 -0.03 0.00 0.00 0.01 0.00 0.00 54.13 54.13 1quw s LEU 75 Cb -0.15 -1.92 0.03 0.00 0.01 0.00 0.00 46.19 44.16 1quw s LEU 75 CO -0.01 0.12 -0.01 -0.63 1.01 0.00 0.00 176.35 176.84 1quw s ILE 76 N 0.67 0.28 -0.18 -0.59 1.01 -0.81 -2.60 121.20 118.98 1quw s ILE 76 Ca 0.02 0.07 -0.13 0.00 0.00 0.00 0.00 60.65 60.62 1quw s ILE 76 Cb -0.13 -0.38 -0.05 0.00 0.01 0.00 0.00 42.46 41.90 1quw s ILE 76 CO 0.02 0.19 0.24 -0.22 0.00 0.00 0.00 174.94 175.17 1quw s LEU 77 N 1.27 4.22 0.26 2.97 1.98 -1.18 -0.99 118.68 127.21 1quw s LEU 77 Ca -0.06 0.39 0.10 0.00 -2.89 0.00 0.00 54.13 51.67 1quw s LEU 77 Cb -0.13 -2.27 -0.04 0.00 0.66 0.00 0.00 46.19 44.40 1quw s LEU 77 CO -0.02 0.11 -0.05 -0.36 -1.89 0.00 0.00 176.35 174.14 1quw s PHE 78 N 0.54 2.61 0.00 5.38 0.40 -0.69 -0.35 117.98 125.88 1quw s PHE 78 Ca 0.13 -0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.22 1quw s PHE 78 Cb -0.12 -1.16 0.00 0.00 0.51 0.00 0.00 43.02 42.24 1quw s PHE 78 CO 0.02 0.63 0.00 1.63 0.70 0.00 0.00 175.22 178.20 1quw n LYS 79 N -0.75 0.00 -2.67 0.44 5.02 -1.19 -0.82 118.16 118.18 1quw n LYS 79 Ca -0.07 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.90 1quw n LYS 79 Cb 0.59 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.59 1quw n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1quw n GLY 80 N 2.45 5.83 2.64 0.72 0.00 -1.26 -4.09 105.19 111.48 1quw n GLY 80 Ca 0.00 -2.69 -0.13 0.00 0.00 0.00 0.00 46.02 43.20 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 -0.25 0.10 3.60 -0.02 0.00 -0.96 -4.82 105.19 102.83 1quw n GLY 81 Ca 0.40 -0.15 -0.02 0.00 0.00 0.00 0.00 46.02 46.25 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 -5.61 0.54 -0.08 1.61 3.00 -1.26 -4.98 118.95 112.16 1quw s ARG 82 Ca 0.29 1.22 -0.30 0.00 -1.00 0.00 0.00 55.73 55.93 1quw s ARG 82 Cb -0.13 0.59 -0.03 0.00 0.00 0.00 0.00 34.95 35.38 1quw s ARG 82 CO 0.41 -0.16 1.23 -1.25 0.00 0.00 0.00 175.30 175.53 1quw s PRO 83 N 2.45 4.32 0.06 5.12 0.04 -1.26 -3.19 135.00 142.53 1quw s PRO 83 Ca -0.06 1.69 -0.13 0.00 0.04 0.00 0.00 61.00 62.54 1quw s PRO 83 Cb -0.09 -3.61 -0.29 0.00 0.04 0.00 0.00 34.50 30.55 1quw s PRO 83 CO -0.19 -0.52 1.10 -0.39 0.04 0.00 0.00 177.00 177.04 1quw h VAL 84 N 5.13 1.31 -3.49 -0.36 -1.51 -1.05 -3.47 116.25 112.81 1quw h VAL 84 Ca -0.32 -2.57 -0.14 0.00 -1.23 0.00 0.00 66.70 62.44 1quw h VAL 84 Cb 1.15 2.77 -0.20 0.00 -2.13 0.00 0.00 31.29 32.88 1quw h VAL 84 CO 0.91 0.77 -0.46 -0.54 -1.23 0.00 0.00 177.57 177.02 1quw s LYS 85 N -2.89 0.54 -0.18 5.19 1.02 -1.25 -5.04 119.74 117.13 1quw s LYS 85 Ca -0.08 -0.44 -0.01 0.00 0.02 0.00 0.00 55.97 55.46 1quw s LYS 85 Cb 0.06 0.23 0.05 0.00 -0.52 0.00 0.00 37.83 37.64 1quw s LYS 85 CO 0.93 -0.14 -0.03 -1.14 -0.92 0.00 0.00 175.35 174.05 1quw s GLN 86 N -1.64 1.23 0.08 1.68 0.74 -1.26 -3.08 119.66 117.41 1quw s GLN 86 Ca -0.13 -0.53 0.06 0.00 0.05 0.00 0.00 55.36 54.81 1quw s GLN 86 Cb -0.06 -2.05 -0.03 0.00 1.10 0.00 0.00 33.01 31.97 1quw s GLN 86 CO 0.01 -0.50 -0.15 -0.48 -0.55 0.00 0.00 175.29 173.62 1quw s LEU 87 N 1.67 2.28 0.18 3.68 0.05 -1.07 -5.06 118.68 120.41 1quw s LEU 87 Ca -0.00 -0.63 -0.01 0.00 0.05 0.00 0.00 54.13 53.54 1quw s LEU 87 Cb -0.16 -0.56 -0.04 0.00 -2.05 0.00 0.00 46.19 43.38 1quw s LEU 87 CO -0.07 -0.06 0.10 0.27 -0.55 0.00 0.00 176.35 176.04 1quw s ILE 88 N -1.29 0.07 0.00 1.48 -0.00 -1.26 -1.29 121.20 118.91 1quw s ILE 88 Ca -0.01 -1.97 0.00 0.00 -0.00 0.00 0.00 60.65 58.67 1quw s ILE 88 Cb -0.10 -2.35 0.00 0.00 -0.00 0.00 0.00 42.46 40.01 1quw s ILE 88 CO 0.03 -0.16 0.00 0.61 -0.00 0.00 0.00 174.94 175.42 1quw n GLY 89 N -0.22 -1.17 3.68 6.27 0.00 0.86 -4.78 105.19 109.83 1quw n GLY 89 Ca -0.01 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 1quw n GLY 89 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1quw s TYR 90 N -1.29 2.92 -0.08 1.61 5.04 -1.26 -4.60 117.35 119.69 1quw s TYR 90 Ca 0.00 0.95 0.02 0.00 -2.44 0.00 0.00 57.07 55.60 1quw s TYR 90 Cb 0.00 -3.57 0.02 0.00 0.35 0.00 0.00 41.96 38.75 1quw s TYR 90 CO 0.00 -2.02 -0.12 1.14 -1.34 0.00 0.00 175.55 173.20 1quw s GLN 91 N 2.57 1.80 1.02 4.97 -2.07 -1.26 -5.13 119.66 121.55 1quw s GLN 91 Ca 0.60 -0.42 -0.18 0.00 -1.82 0.00 0.00 55.36 53.54 1quw s GLN 91 Cb -0.28 -1.54 -0.02 0.00 -1.09 0.00 0.00 33.01 30.08 1quw s GLN 91 CO 0.23 -0.03 -0.27 -2.30 -1.32 0.00 0.00 175.29 171.60 1quw n PRO 92 N 4.06 -0.55 0.23 9.60 -0.02 -1.26 -4.61 135.00 142.46 1quw n PRO 92 Ca -0.20 -0.14 0.07 0.00 -2.02 0.00 0.00 63.50 61.20 1quw n PRO 92 Cb 0.51 -1.50 0.55 0.00 -0.02 0.00 0.00 33.50 33.04 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 -1.50 0.00 -0.39 -0.52 3.64 -1.99 -0.99 116.57 114.82 1quw h LYS 93 Ca -0.46 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.79 1quw h LYS 93 Cb 1.33 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 1quw h LYS 93 CO 0.31 0.16 -0.27 0.93 -2.27 0.00 0.00 179.45 178.32 1quw h GLU 94 N 0.00 0.82 -0.48 1.90 4.39 -1.99 0.81 114.58 120.03 1quw h GLU 94 Ca -0.00 -0.36 -0.05 0.00 0.34 0.00 0.00 59.36 59.29 1quw h GLU 94 Cb 0.31 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 1quw h GLU 94 CO 0.02 0.99 0.12 1.96 -1.16 0.00 0.00 179.01 180.94 1quw h GLN 95 N 0.71 0.77 -0.09 2.33 1.08 -1.65 -2.24 115.11 116.02 1quw h GLN 95 Ca 0.09 -0.19 -0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1quw h GLN 95 Cb 0.81 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 28.13 1quw h GLN 95 CO 0.07 0.75 0.04 -0.07 -0.95 0.00 0.00 178.83 178.67 1quw h LEU 96 N 0.65 0.11 -0.91 1.46 3.38 -1.07 -1.73 115.31 117.20 1quw h LEU 96 Ca 0.15 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1quw h LEU 96 Cb 0.33 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1quw h LEU 96 CO 0.00 0.18 0.28 -0.33 0.09 0.00 0.00 178.44 178.66 1quw h GLU 97 N 0.03 1.07 -0.29 1.13 5.08 -0.75 0.23 114.58 121.08 1quw h GLU 97 Ca 0.03 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 1quw h GLU 97 Cb 0.10 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1quw h GLU 97 CO -0.00 0.88 -0.02 0.00 -1.00 0.00 0.00 179.01 178.86 1quw h ALA 98 N 1.26 0.39 0.16 3.43 0.00 -1.40 -0.82 119.26 122.28 1quw h ALA 98 Ca 0.24 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1quw h ALA 98 Cb 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1quw h ALA 98 CO -0.02 0.15 -0.13 0.37 0.00 0.00 0.00 179.25 179.62 1quw h GLN 99 N 0.30 -0.30 -0.07 0.00 5.75 -0.79 -3.18 115.11 116.82 1quw h GLN 99 Ca 0.08 0.02 -0.19 0.00 -0.15 0.00 0.00 58.65 58.41 1quw h GLN 99 Cb 0.46 0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.08 1quw h GLN 99 CO 0.02 -0.20 -0.77 -0.07 -2.65 0.00 0.00 178.83 175.16 1quw h LEU 100 N -0.31 0.51 -2.17 -2.39 -0.00 -0.58 -3.15 115.31 107.22 1quw h LEU 100 Ca -0.00 -0.34 -0.01 0.00 -0.00 0.00 0.00 57.88 57.53 1quw h LEU 100 Cb 0.28 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 40.79 1quw h LEU 100 CO -0.02 1.10 -0.03 0.00 -0.00 0.00 0.00 178.44 179.49 1quw h ALA 101 N 0.89 1.70 -0.24 1.53 0.00 -1.15 0.12 119.26 122.11 1quw h ALA 101 Ca -0.04 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1quw h ALA 101 Cb 1.35 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1quw h ALA 101 CO 0.13 0.03 -0.08 0.22 0.00 0.00 0.00 179.25 179.55 1quw h ASP 102 N 0.00 0.49 1.28 0.00 3.58 -1.53 -3.21 116.42 117.03 1quw h ASP 102 Ca -0.00 -0.38 -0.10 0.00 0.42 0.00 0.00 57.03 56.96 1quw h ASP 102 Cb 0.06 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 40.96 1quw h ASP 102 CO 0.00 0.76 -0.75 -0.37 -2.88 0.00 0.00 179.24 176.01 1quw h VAL 103 N 0.21 0.58 -0.03 2.25 -1.51 -1.41 -3.35 116.25 113.00 1quw h VAL 103 Ca 0.06 -1.90 -0.25 0.00 -1.23 0.00 0.00 66.70 63.38 1quw h VAL 103 Cb 0.56 2.18 0.02 0.00 -2.13 0.00 0.00 31.29 31.92 1quw h VAL 103 CO 0.03 0.33 -0.96 -0.07 -1.23 0.00 0.00 177.57 175.67 1quw h LEU 104 N 0.00 0.89 0.00 4.19 3.38 -0.87 -3.48 115.31 119.42 1quw h LEU 104 Ca -0.05 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.20 1quw h LEU 104 Cb 1.36 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1quw h LEU 104 CO 0.05 1.49 0.00 0.00 0.09 0.00 0.00 178.44 180.07