#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q0w s GLN 2 N 0.00 3.46 -0.00 3.17 -2.07 -1.26 -1.83 119.66 121.12 1q0w s GLN 2 Ca 0.00 -0.23 0.00 0.00 -1.82 0.00 0.00 55.36 53.31 1q0w s GLN 2 Cb 0.00 -3.12 0.00 0.00 -1.09 0.00 0.00 33.01 28.81 1q0w s GLN 2 CO 0.00 0.66 -0.00 0.96 -1.32 0.00 0.00 175.29 175.59 1q0w s ILE 3 N -0.72 0.04 1.09 3.63 -4.36 -0.78 -1.63 121.20 118.47 1q0w s ILE 3 Ca 0.13 0.01 -0.16 0.00 -0.26 0.00 0.00 60.65 60.37 1q0w s ILE 3 Cb -0.12 -0.06 0.23 0.00 1.25 0.00 0.00 42.46 43.76 1q0w s ILE 3 CO 0.03 0.03 1.12 -0.36 0.24 0.00 0.00 174.94 176.00 1q0w s PHE 4 N 0.17 1.36 -0.23 1.37 0.40 0.14 -0.74 117.98 120.45 1q0w s PHE 4 Ca -0.01 0.69 -0.04 0.00 -0.60 0.00 0.00 56.93 56.97 1q0w s PHE 4 Cb -0.02 -3.43 0.09 0.00 0.51 0.00 0.00 43.02 40.17 1q0w s PHE 4 CO -0.00 -3.30 0.16 0.08 0.70 0.00 0.00 175.22 172.86 1q0w s VAL 5 N -3.08 -0.18 -0.11 -0.44 1.01 0.19 -0.79 120.40 116.99 1q0w s VAL 5 Ca 0.68 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 62.14 1q0w s VAL 5 Cb -0.13 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 1q0w s VAL 5 CO 0.56 -0.43 0.32 -0.75 0.00 0.00 0.00 175.10 174.80 1q0w s LYS 6 N 2.20 4.10 0.00 2.72 2.20 0.11 -1.21 119.74 129.86 1q0w s LYS 6 Ca 0.06 0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.86 1q0w s LYS 6 Cb -0.16 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 1q0w s LYS 6 CO -0.22 0.39 0.00 0.25 -0.36 0.00 0.00 175.35 175.41 1q0w n THR 7 N 3.01 0.00 0.03 3.43 -2.24 -0.44 -1.00 114.28 117.08 1q0w n THR 7 Ca -0.13 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.57 1q0w n THR 7 Cb 0.52 -0.40 -0.06 0.00 -2.10 0.00 0.00 70.33 68.29 1q0w n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1q0w h LEU 8 N 0.00 -0.16 0.07 3.22 4.07 -1.91 -3.37 115.31 117.22 1q0w h LEU 8 Ca 0.00 -0.29 -0.00 0.00 0.08 0.00 0.00 57.88 57.66 1q0w h LEU 8 Cb 0.00 0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1q0w h LEU 8 CO 0.00 0.42 -0.03 0.74 -1.08 0.00 0.00 178.44 178.49 1q0w h THR 9 N -0.96 1.00 0.00 0.22 2.02 -1.96 -3.46 112.91 109.77 1q0w h THR 9 Ca -0.02 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1q0w h THR 9 Cb 0.45 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1q0w h THR 9 CO 0.03 0.06 0.00 0.61 0.37 0.00 0.00 175.52 176.59 1q0w n GLY 10 N -0.85 0.00 3.62 2.16 0.00 -1.26 -5.12 105.19 103.74 1q0w n GLY 10 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 1q0w n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1q0w s LYS 11 N 0.00 3.97 -0.18 1.61 2.47 -1.26 -4.79 119.74 121.56 1q0w s LYS 11 Ca 0.00 0.86 -0.09 0.00 -1.56 0.00 0.00 55.97 55.18 1q0w s LYS 11 Cb 0.00 -3.77 -0.05 0.00 -1.46 0.00 0.00 37.83 32.56 1q0w s LYS 11 CO 0.00 -0.94 0.12 0.95 0.16 0.00 0.00 175.35 175.64 1q0w s THR 12 N 3.62 5.31 -0.03 3.43 -4.23 -1.25 -1.33 115.64 121.17 1q0w s THR 12 Ca 0.43 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 61.09 1q0w s THR 12 Cb -0.12 -3.39 0.02 0.00 1.34 0.00 0.00 72.50 70.35 1q0w s THR 12 CO 0.17 0.49 -0.00 -0.63 -0.54 0.00 0.00 174.62 174.11 1q0w s ILE 13 N 0.03 0.18 0.31 2.99 1.01 -0.35 -4.85 121.20 120.52 1q0w s ILE 13 Ca 0.09 0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.51 1q0w s ILE 13 Cb -0.11 -0.26 -0.11 0.00 0.01 0.00 0.00 42.46 41.99 1q0w s ILE 13 CO -0.00 0.13 1.44 -0.89 0.00 0.00 0.00 174.94 175.62 1q0w s THR 14 N 0.90 2.45 -0.19 2.92 2.01 -1.26 0.56 115.64 123.03 1q0w s THR 14 Ca -0.09 0.41 -0.04 0.00 0.31 0.00 0.00 61.69 62.28 1q0w s THR 14 Cb -0.12 -3.26 0.08 0.00 0.01 0.00 0.00 72.50 69.21 1q0w s THR 14 CO -0.02 0.08 0.18 -0.22 -0.69 0.00 0.00 174.62 173.96 1q0w s LEU 15 N -1.17 0.02 0.22 4.42 1.98 0.08 -4.88 118.68 119.34 1q0w s LEU 15 Ca 0.56 -0.29 -0.30 0.00 -2.89 0.00 0.00 54.13 51.20 1q0w s LEU 15 Cb -0.43 0.21 -0.08 0.00 0.66 0.00 0.00 46.19 46.54 1q0w s LEU 15 CO 0.51 -0.33 1.14 -0.70 -1.89 0.00 0.00 176.35 175.09 1q0w s GLU 16 N 2.27 4.56 -0.29 1.98 2.56 -1.26 -1.86 118.70 126.67 1q0w s GLU 16 Ca 0.05 1.82 -0.16 0.00 0.00 0.00 0.00 54.97 56.68 1q0w s GLU 16 Cb -0.16 -3.23 0.13 0.00 2.00 0.00 0.00 34.13 32.88 1q0w s GLU 16 CO -0.11 0.05 0.90 0.54 -0.56 0.00 0.00 175.26 176.08 1q0w s VAL 17 N -0.50 -0.01 0.37 3.70 0.11 -0.76 -4.97 120.40 118.34 1q0w s VAL 17 Ca 0.49 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.27 1q0w s VAL 17 Cb -0.32 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.44 1q0w s VAL 17 CO 0.38 0.00 1.24 -1.61 -3.33 0.00 0.00 175.10 171.78 1q0w s GLU 18 N 1.44 4.16 0.27 1.54 0.41 -1.26 -3.12 118.70 122.14 1q0w s GLU 18 Ca -0.09 2.04 -0.01 0.00 -0.41 0.00 0.00 54.97 56.50 1q0w s GLU 18 Cb -0.04 -2.86 0.45 0.00 -1.78 0.00 0.00 34.13 29.90 1q0w s GLU 18 CO -0.16 -0.29 1.87 1.03 -0.49 0.00 0.00 175.26 177.22 1q0w h SER 19 N 2.96 1.01 -1.01 -0.19 0.87 -1.99 -1.43 113.55 113.78 1q0w h SER 19 Ca -0.49 0.02 0.04 0.00 -1.23 0.00 0.00 61.79 60.13 1q0w h SER 19 Cb 1.23 -0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 62.94 1q0w h SER 19 CO 0.64 0.62 0.66 0.28 -0.53 0.00 0.00 176.83 178.50 1q0w h SER 20 N 1.13 1.09 -2.68 6.23 0.02 -1.97 -3.06 113.55 114.30 1q0w h SER 20 Ca 0.45 -0.01 -0.58 0.00 -0.84 0.00 0.00 61.79 60.81 1q0w h SER 20 Cb 0.24 -0.24 0.08 0.00 0.14 0.00 0.00 62.40 62.62 1q0w h SER 20 CO -0.19 0.74 0.65 0.47 -1.14 0.00 0.00 176.83 177.35 1q0w n ASP 21 N -4.45 2.87 -3.27 3.07 8.00 -0.54 -4.57 116.55 117.66 1q0w n ASP 21 Ca 0.14 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.78 1q0w n ASP 21 Cb 0.11 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 39.77 1q0w n ASP 21 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1q0w n THR 22 N 2.06 0.00 -0.01 -3.53 -2.24 -1.26 -2.97 114.28 106.33 1q0w n THR 22 Ca 0.12 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.72 1q0w n THR 22 Cb 0.32 -1.07 -0.14 0.00 -2.10 0.00 0.00 70.33 67.34 1q0w n THR 22 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1q0w h ILE 23 N -0.20 1.62 -0.98 2.28 1.08 -1.07 -3.23 117.51 117.01 1q0w h ILE 23 Ca 0.00 -2.45 0.18 0.00 -0.39 0.00 0.00 64.86 62.21 1q0w h ILE 23 Cb 0.00 3.27 -0.09 0.00 -3.07 0.00 0.00 36.82 36.92 1q0w h ILE 23 CO 0.00 0.67 0.61 0.44 -0.69 0.00 0.00 178.15 179.18 1q0w h ASP 24 N -0.65 0.72 -0.37 1.72 5.19 -1.85 0.21 116.42 121.39 1q0w h ASP 24 Ca -0.09 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 1q0w h ASP 24 Cb 1.36 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.80 1q0w h ASP 24 CO 0.08 0.28 0.20 0.78 -3.12 0.00 0.00 179.24 177.46 1q0w h ASN 25 N 0.72 0.47 -0.08 6.45 -0.26 -1.90 -1.17 115.58 119.80 1q0w h ASN 25 Ca 0.55 -0.10 -0.00 0.00 -0.56 0.00 0.00 56.30 56.19 1q0w h ASN 25 Cb 0.91 -0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 38.05 1q0w h ASN 25 CO -0.32 0.43 0.04 0.58 -1.06 0.00 0.00 177.43 177.10 1q0w h VAL 26 N 0.47 1.08 -0.73 2.81 2.07 -1.02 -2.16 116.25 118.77 1q0w h VAL 26 Ca 0.13 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1q0w h VAL 26 Cb 0.07 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1q0w h VAL 26 CO -0.02 0.07 0.48 0.11 0.02 0.00 0.00 177.57 178.23 1q0w h LYS 27 N 0.03 0.94 -0.29 1.57 1.79 -1.12 -0.45 116.57 119.05 1q0w h LYS 27 Ca 0.03 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1q0w h LYS 27 Cb 0.08 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.50 1q0w h LYS 27 CO -0.00 0.62 0.19 0.66 -1.08 0.00 0.00 179.45 179.83 1q0w h SER 28 N 0.97 0.33 -0.50 0.86 4.64 -1.08 -0.08 113.55 118.69 1q0w h SER 28 Ca 0.27 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.57 1q0w h SER 28 Cb -0.09 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 1q0w h SER 28 CO -0.07 0.25 0.28 0.11 -0.87 0.00 0.00 176.83 176.53 1q0w h LYS 29 N 0.38 0.70 -1.01 4.77 1.57 -1.06 -1.75 116.57 120.17 1q0w h LYS 29 Ca 0.10 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1q0w h LYS 29 Cb -0.03 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.08 1q0w h LYS 29 CO -0.02 0.54 0.66 0.82 -0.57 0.00 0.00 179.45 180.88 1q0w h ILE 30 N 0.67 1.17 -0.61 1.86 2.04 -0.73 -1.75 117.51 120.15 1q0w h ILE 30 Ca 0.18 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 1q0w h ILE 30 Cb 0.04 -0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 35.88 1q0w h ILE 30 CO -0.03 0.23 0.31 -0.61 0.00 0.00 0.00 178.15 178.05 1q0w h GLN 31 N 1.27 0.87 -0.51 2.37 4.15 -0.44 0.20 115.11 123.02 1q0w h GLN 31 Ca 0.40 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.70 1q0w h GLN 31 Cb 0.02 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 1q0w h GLN 31 CO -0.13 0.69 0.30 0.22 -1.93 0.00 0.00 178.83 177.98 1q0w h ASP 32 N 0.84 0.61 0.12 -0.69 1.82 -0.51 0.43 116.42 119.04 1q0w h ASP 32 Ca 0.21 -0.07 -0.01 0.00 -0.39 0.00 0.00 57.03 56.78 1q0w h ASP 32 Cb 0.09 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 39.95 1q0w h ASP 32 CO -0.03 0.50 -0.06 0.50 -1.61 0.00 0.00 179.24 178.54 1q0w h LYS 33 N 0.67 -0.16 -0.08 0.28 3.64 -1.14 -3.40 116.57 116.39 1q0w h LYS 33 Ca 0.18 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.42 1q0w h LYS 33 Cb 0.00 0.04 0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1q0w h LYS 33 CO -0.03 -0.10 -0.52 0.93 -2.27 0.00 0.00 179.45 177.45 1q0w h GLU 34 N -0.75 0.50 -0.99 1.90 5.08 -0.71 -3.49 114.58 116.12 1q0w h GLU 34 Ca -0.02 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1q0w h GLU 34 Cb 0.12 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1q0w h GLU 34 CO 0.03 1.06 0.00 0.41 -1.00 0.00 0.00 179.01 179.51 1q0w n GLY 35 N 0.77 0.70 2.84 -3.84 0.00 0.15 -5.02 105.19 100.79 1q0w n GLY 35 Ca -0.08 -0.41 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 1q0w n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q0w s ILE 36 N -2.10 0.15 0.18 -0.61 1.01 -1.25 -5.04 121.20 113.56 1q0w s ILE 36 Ca 0.00 0.04 -0.33 0.00 0.00 0.00 0.00 60.65 60.36 1q0w s ILE 36 Cb 0.00 -0.22 -0.13 0.00 0.01 0.00 0.00 42.46 42.12 1q0w s ILE 36 CO 0.00 0.11 1.60 -2.65 0.00 0.00 0.00 174.94 174.00 1q0w n PRO 37 N 3.80 2.31 -0.22 2.79 -0.02 -1.26 -4.32 135.00 138.08 1q0w n PRO 37 Ca -0.23 0.83 -0.07 0.00 -2.02 0.00 0.00 63.50 62.02 1q0w n PRO 37 Cb 0.53 -2.61 0.03 0.00 -0.02 0.00 0.00 33.50 31.43 1q0w n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1q0w h PRO 38 N 5.95 0.85 -1.00 0.52 0.11 -1.89 -2.24 132.00 134.30 1q0w h PRO 38 Ca -0.45 -0.10 0.01 0.00 0.11 0.00 0.00 66.00 65.57 1q0w h PRO 38 Cb 1.24 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 1q0w h PRO 38 CO 0.89 0.65 0.67 0.38 -0.21 0.00 0.00 178.00 180.37 1q0w h ASP 39 N 0.83 1.15 -0.04 -2.05 2.03 -1.99 -3.01 116.42 113.35 1q0w h ASP 39 Ca 0.21 -0.03 -0.01 0.00 -0.73 0.00 0.00 57.03 56.47 1q0w h ASP 39 Cb 0.04 -0.29 -0.00 0.00 -0.83 0.00 0.00 39.33 38.26 1q0w h ASP 39 CO -0.03 0.84 -0.03 1.56 -1.03 0.00 0.00 179.24 180.54 1q0w h GLN 40 N 1.36 0.09 -6.51 4.15 1.08 -1.90 -3.44 115.11 109.94 1q0w h GLN 40 Ca 0.37 -0.04 -0.53 0.00 -1.45 0.00 0.00 58.65 56.99 1q0w h GLN 40 Cb -0.16 -0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.29 1q0w h GLN 40 CO -0.08 0.52 0.68 1.14 -0.95 0.00 0.00 178.83 180.14 1q0w s GLN 41 N -4.39 4.36 -0.18 1.46 -2.07 -0.86 -1.05 119.66 116.92 1q0w s GLN 41 Ca -0.15 1.96 -0.09 0.00 -1.82 0.00 0.00 55.36 55.26 1q0w s GLN 41 Cb 0.03 -3.31 -0.05 0.00 -1.09 0.00 0.00 33.01 28.59 1q0w s GLN 41 CO 0.69 -0.39 0.13 1.03 -1.32 0.00 0.00 175.29 175.43 1q0w s ARG 42 N 1.19 4.02 -0.06 9.60 1.81 0.82 -4.86 118.95 131.47 1q0w s ARG 42 Ca 0.62 -0.21 -0.17 0.00 -1.72 0.00 0.00 55.73 54.25 1q0w s ARG 42 Cb -0.34 -3.36 -0.05 0.00 -0.45 0.00 0.00 34.95 30.76 1q0w s ARG 42 CO 0.30 0.40 0.47 -1.17 -0.68 0.00 0.00 175.30 174.62 1q0w s LEU 43 N 0.07 4.36 -0.04 2.53 2.96 -1.26 -0.95 118.68 126.36 1q0w s LEU 43 Ca 0.09 0.92 -0.07 0.00 -0.22 0.00 0.00 54.13 54.85 1q0w s LEU 43 Cb -0.11 -2.70 0.01 0.00 0.50 0.00 0.00 46.19 43.89 1q0w s LEU 43 CO -0.01 0.12 0.17 -0.63 -1.32 0.00 0.00 176.35 174.68 1q0w s ILE 44 N -0.05 0.03 -0.25 6.68 1.01 0.76 -1.69 121.20 127.69 1q0w s ILE 44 Ca 0.26 -0.27 -0.26 0.00 0.00 0.00 0.00 60.65 60.38 1q0w s ILE 44 Cb -0.16 -0.33 0.10 0.00 0.01 0.00 0.00 42.46 42.08 1q0w s ILE 44 CO 0.12 -0.15 0.91 0.12 0.00 0.00 0.00 174.94 175.94 1q0w s PHE 45 N -0.48 -0.58 -1.49 3.97 5.36 -0.62 -0.91 117.98 123.23 1q0w s PHE 45 Ca -0.06 1.35 -0.10 0.00 -0.96 0.00 0.00 56.93 57.16 1q0w s PHE 45 Cb -0.04 0.34 0.07 0.00 -0.34 0.00 0.00 43.02 43.05 1q0w s PHE 45 CO 0.01 -0.31 0.88 0.00 -1.46 0.00 0.00 175.22 174.34 1q0w n ALA 46 N 2.15 -1.48 -2.86 11.12 0.00 -1.26 -1.00 120.51 127.17 1q0w n ALA 46 Ca -0.13 0.08 -0.21 0.00 0.00 0.00 0.00 53.44 53.18 1q0w n ALA 46 Cb 0.56 -3.71 0.01 0.00 0.00 0.00 0.00 19.45 16.31 1q0w n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q0w n GLY 47 N -1.67 -0.51 3.22 0.00 0.00 -1.26 -4.97 105.19 100.01 1q0w n GLY 47 Ca -0.05 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1q0w n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q0w s LYS 48 N -5.52 0.34 0.22 1.61 1.02 -0.17 -5.14 119.74 112.09 1q0w s LYS 48 Ca 0.21 0.79 -0.30 0.00 0.02 0.00 0.00 55.97 56.69 1q0w s LYS 48 Cb -0.10 0.02 -0.09 0.00 -0.52 0.00 0.00 37.83 37.14 1q0w s LYS 48 CO 0.26 -0.18 1.38 1.14 -0.92 0.00 0.00 175.35 177.02 1q0w s GLN 49 N 1.66 4.33 -0.06 1.68 1.03 -1.26 -1.59 119.66 125.45 1q0w s GLN 49 Ca -0.07 2.18 -0.22 0.00 0.04 0.00 0.00 55.36 57.28 1q0w s GLN 49 Cb -0.10 -3.16 -0.04 0.00 0.03 0.00 0.00 33.01 29.75 1q0w s GLN 49 CO -0.12 -0.34 0.64 -0.51 -2.54 0.00 0.00 175.29 172.42 1q0w s LEU 50 N -0.18 4.33 0.00 2.60 1.02 -0.68 -4.93 118.68 120.84 1q0w s LEU 50 Ca 0.58 1.12 0.00 0.00 0.02 0.00 0.00 54.13 55.85 1q0w s LEU 50 Cb -0.39 -2.98 0.00 0.00 0.02 0.00 0.00 46.19 42.84 1q0w s LEU 50 CO 0.40 -0.04 0.00 -0.62 0.02 0.00 0.00 176.35 176.11 1q0w n GLU 51 N 3.50 1.65 0.04 1.70 1.02 -1.26 -4.63 120.64 122.66 1q0w n GLU 51 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1q0w n GLU 51 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 1q0w n GLU 51 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1q0w n ASP 52 N 0.00 0.50 -2.46 1.62 8.00 -1.26 -4.80 116.55 118.14 1q0w n ASP 52 Ca 0.00 0.11 -0.22 0.00 0.71 0.00 0.00 54.79 55.39 1q0w n ASP 52 Cb 0.00 -0.12 -0.12 0.00 -0.02 0.00 0.00 41.12 40.86 1q0w n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q0w n GLY 53 N 2.99 3.46 2.98 0.44 0.00 -1.26 -2.54 105.19 111.26 1q0w n GLY 53 Ca 0.00 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 1q0w n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q0w s ARG 54 N 1.32 0.14 0.32 1.61 1.81 -1.26 -5.00 118.95 117.90 1q0w s ARG 54 Ca 0.68 0.29 -0.28 0.00 -1.72 0.00 0.00 55.73 54.70 1q0w s ARG 54 Cb 0.27 -0.04 -0.09 0.00 -0.45 0.00 0.00 34.95 34.64 1q0w s ARG 54 CO -0.03 -0.09 1.13 0.95 -0.68 0.00 0.00 175.30 176.59 1q0w s THR 55 N 0.58 3.37 0.43 0.02 -4.23 -1.26 -1.81 115.64 112.74 1q0w s THR 55 Ca -0.04 1.29 0.12 0.00 -1.18 0.00 0.00 61.69 61.88 1q0w s THR 55 Cb -0.06 -3.78 0.31 0.00 1.34 0.00 0.00 72.50 70.31 1q0w s THR 55 CO -0.03 0.24 2.01 -0.07 -0.54 0.00 0.00 174.62 176.23 1q0w h LEU 56 N 3.37 0.37 -0.87 4.79 3.38 -1.49 -2.03 115.31 122.83 1q0w h LEU 56 Ca -0.48 0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.65 1q0w h LEU 56 Cb 1.22 -0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.79 1q0w h LEU 56 CO 0.65 0.24 0.46 0.28 0.09 0.00 0.00 178.44 180.16 1q0w h SER 57 N 0.42 0.57 -0.50 -0.43 0.02 -1.83 -0.18 113.55 111.62 1q0w h SER 57 Ca 0.23 0.09 0.05 0.00 -0.84 0.00 0.00 61.79 61.32 1q0w h SER 57 Cb 0.36 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.86 1q0w h SER 57 CO -0.06 0.23 0.24 0.44 -1.14 0.00 0.00 176.83 176.54 1q0w h ASP 58 N 0.65 0.32 0.36 3.07 3.32 -1.71 -1.45 116.42 120.98 1q0w h ASP 58 Ca 0.48 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.47 1q0w h ASP 58 Cb 0.68 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1q0w h ASP 58 CO -0.36 0.22 -0.41 1.88 -1.72 0.00 0.00 179.24 178.85 1q0w h TYR 59 N 0.46 0.08 -5.18 4.55 -1.99 -1.28 -3.47 116.97 110.14 1q0w h TYR 59 Ca 0.22 -0.02 -0.30 0.00 2.00 0.00 0.00 58.73 60.63 1q0w h TYR 59 Cb 0.16 -0.02 0.14 0.00 2.00 0.00 0.00 36.73 39.01 1q0w h TYR 59 CO -0.11 0.47 -0.65 -1.71 -0.00 0.00 0.00 178.16 176.16 1q0w n ASN 60 N -4.04 -2.83 -4.74 3.88 4.05 -0.21 -4.93 115.26 106.44 1q0w n ASN 60 Ca -0.02 -0.52 -0.42 0.00 0.45 0.00 0.00 54.58 54.07 1q0w n ASN 60 Cb 0.45 -4.50 -0.02 0.00 1.23 0.00 0.00 39.78 36.94 1q0w n ASN 60 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1q0w s ILE 61 N -3.31 2.43 0.46 -1.44 1.01 -1.25 -4.97 121.20 114.14 1q0w s ILE 61 Ca 0.11 0.35 -0.23 0.00 0.00 0.00 0.00 60.65 60.88 1q0w s ILE 61 Cb -0.05 -3.22 -0.07 0.00 0.01 0.00 0.00 42.46 39.12 1q0w s ILE 61 CO 0.63 0.05 1.17 -1.10 0.00 0.00 0.00 174.94 175.70 1q0w s GLN 62 N -0.11 3.74 0.47 2.79 -0.21 -1.26 -4.99 119.66 120.10 1q0w s GLN 62 Ca 0.63 1.79 -0.23 0.00 0.02 0.00 0.00 55.36 57.56 1q0w s GLN 62 Cb -0.44 -2.41 -0.07 0.00 1.00 0.00 0.00 33.01 31.09 1q0w s GLN 62 CO 0.42 -0.57 1.28 0.21 -2.12 0.00 0.00 175.29 174.52 1q0w s LYS 63 N -2.70 3.61 -1.35 2.91 2.20 -1.26 -2.96 119.74 120.19 1q0w s LYS 63 Ca 0.64 2.06 -0.06 0.00 -0.36 0.00 0.00 55.97 58.25 1q0w s LYS 63 Cb -0.29 -2.47 0.01 0.00 -1.51 0.00 0.00 37.83 33.57 1q0w s LYS 63 CO 0.35 -0.76 0.74 0.39 -0.36 0.00 0.00 175.35 175.71 1q0w n GLU 64 N -0.48 -5.46 -3.96 4.03 -0.58 -0.64 -4.99 120.64 108.56 1q0w n GLU 64 Ca 0.07 0.80 -0.36 0.00 -0.42 0.00 0.00 57.16 57.26 1q0w n GLU 64 Cb 0.45 -5.53 -0.06 0.00 -0.57 0.00 0.00 31.44 25.73 1q0w n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1q0w s SER 65 N -2.93 6.20 -0.18 1.62 0.01 -1.16 -4.68 113.70 112.58 1q0w s SER 65 Ca 0.37 0.38 -0.24 0.00 1.31 0.00 0.00 55.95 57.77 1q0w s SER 65 Cb -0.16 -1.95 -0.02 0.00 0.21 0.00 0.00 66.02 64.10 1q0w s SER 65 CO 0.45 0.36 0.76 0.42 0.41 0.00 0.00 173.24 175.64 1q0w s THR 66 N -1.10 4.93 -0.19 1.44 -4.23 -1.26 0.26 115.64 115.50 1q0w s THR 66 Ca 0.18 1.47 -0.22 0.00 -1.18 0.00 0.00 61.69 61.95 1q0w s THR 66 Cb -0.12 -4.07 -0.02 0.00 1.34 0.00 0.00 72.50 69.63 1q0w s THR 66 CO 0.08 0.06 0.67 -0.76 -0.54 0.00 0.00 174.62 174.13 1q0w s LEU 67 N 2.04 4.16 0.06 4.79 1.43 0.03 -4.71 118.68 126.48 1q0w s LEU 67 Ca 0.35 0.91 -0.30 0.00 -1.03 0.00 0.00 54.13 54.05 1q0w s LEU 67 Cb -0.16 -2.96 -0.05 0.00 0.03 0.00 0.00 46.19 43.05 1q0w s LEU 67 CO 0.12 -0.28 1.11 -1.00 0.23 0.00 0.00 176.35 176.52 1q0w s HIS 68 N 1.88 3.54 0.02 0.29 3.76 -0.09 0.09 115.29 124.79 1q0w s HIS 68 Ca 0.31 1.49 0.09 0.00 -0.15 0.00 0.00 55.06 56.79 1q0w s HIS 68 Cb -0.16 -3.29 -0.03 0.00 1.11 0.00 0.00 32.58 30.21 1q0w s HIS 68 CO 0.11 -0.73 -0.25 -1.17 -0.85 0.00 0.00 174.74 171.84 1q0w s LEU 69 N 0.79 2.13 -0.10 0.89 0.20 -0.17 -0.17 118.68 122.24 1q0w s LEU 69 Ca 0.55 -0.54 -0.02 0.00 0.69 0.00 0.00 54.13 54.81 1q0w s LEU 69 Cb -0.27 -1.26 0.04 0.00 -0.43 0.00 0.00 46.19 44.27 1q0w s LEU 69 CO 0.30 0.27 0.03 -0.69 -0.29 0.00 0.00 176.35 175.96 1q0w s VAL 70 N -0.73 0.29 0.12 1.68 1.01 -0.12 -3.94 120.40 118.71 1q0w s VAL 70 Ca 0.11 -0.01 -0.31 0.00 0.00 0.00 0.00 61.98 61.77 1q0w s VAL 70 Cb -0.10 -0.59 -0.08 0.00 0.00 0.00 0.00 36.38 35.61 1q0w s VAL 70 CO 0.01 0.09 1.45 -0.76 0.00 0.00 0.00 175.10 175.89 1q0w s LEU 71 N 1.99 4.37 0.09 3.92 2.01 -1.26 -0.13 118.68 129.67 1q0w s LEU 71 Ca 0.03 2.40 -0.31 0.00 0.01 0.00 0.00 54.13 56.26 1q0w s LEU 71 Cb -0.14 -3.59 -0.07 0.00 0.01 0.00 0.00 46.19 42.41 1q0w s LEU 71 CO -0.06 -0.71 1.31 -0.60 1.01 0.00 0.00 176.35 177.30 1q0w s ARG 72 N 1.26 4.37 4.58 1.70 3.52 -0.22 -4.80 118.95 129.36 1q0w s ARG 72 Ca 0.66 1.94 0.00 0.00 -0.13 0.00 0.00 55.73 58.21 1q0w s ARG 72 Cb -0.38 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 29.71 1q0w s ARG 72 CO 0.30 -0.36 0.00 1.28 -0.81 0.00 0.00 175.30 175.71 1q0w n LEU 73 N 3.95 0.00 -4.76 -0.88 4.77 -1.26 -4.58 117.00 114.24 1q0w n LEU 73 Ca 0.10 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.67 1q0w n LEU 73 Cb 0.44 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.52 1q0w n LEU 73 CO 0.57 0.00 1.19 -0.13 -1.33 0.00 0.00 177.39 177.69 1q0w s ARG 74 N 0.00 4.13 -0.18 3.23 0.52 -1.26 -4.88 118.95 120.51 1q0w s ARG 74 Ca 0.00 2.55 0.00 0.00 -0.52 0.00 0.00 55.73 57.76 1q0w s ARG 74 Cb 0.00 -3.01 0.01 0.00 0.52 0.00 0.00 34.95 32.47 1q0w s ARG 74 CO 0.00 -0.57 0.81 0.41 0.02 0.00 0.00 175.30 175.97 1q0w n GLY 75 N 1.51 -1.01 0.00 -3.53 0.00 -1.26 -5.04 105.19 95.86 1q0w n GLY 75 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1q0w n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93