#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqm h LEU 4 N 0.00 0.17 -1.92 1.20 4.07 -1.99 0.42 115.31 117.27 1lqm h LEU 4 Ca 0.00 0.14 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 1lqm h LEU 4 Cb 0.00 0.16 -0.00 0.00 1.08 0.00 0.00 40.66 41.89 1lqm h LEU 4 CO 0.00 0.00 -0.12 0.77 -1.08 0.00 0.00 178.44 178.01 1lqm h SER 5 N 0.35 0.00 0.40 -0.43 4.64 -1.99 -0.70 113.55 115.81 1lqm h SER 5 Ca 0.47 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.50 1lqm h SER 5 Cb 0.83 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.94 1lqm h SER 5 CO -0.50 0.12 -1.29 0.44 -0.87 0.00 0.00 176.83 174.72 1lqm h ASP 6 N 0.00 0.65 -0.45 4.97 3.32 -0.63 -0.85 116.42 123.43 1lqm h ASP 6 Ca -0.00 -0.66 -0.04 0.00 0.02 0.00 0.00 57.03 56.35 1lqm h ASP 6 Cb 0.27 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1lqm h ASP 6 CO 0.02 1.51 0.16 0.40 -1.72 0.00 0.00 179.24 179.60 1lqm h ILE 7 N 0.15 1.20 0.05 0.35 2.04 -0.14 -0.41 117.51 120.74 1lqm h ILE 7 Ca -0.18 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 64.99 1lqm h ILE 7 Cb 1.99 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1lqm h ILE 7 CO 0.23 0.26 -0.02 0.40 0.00 0.00 0.00 178.15 179.02 1lqm h ILE 8 N 0.74 1.27 0.02 -0.67 2.04 -1.15 -3.12 117.51 116.63 1lqm h ILE 8 Ca 0.17 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1lqm h ILE 8 Cb 0.22 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 1lqm h ILE 8 CO -0.01 0.28 -0.16 -0.08 0.00 0.00 0.00 178.15 178.17 1lqm h GLU 9 N -0.56 -0.21 0.00 2.37 4.81 -0.57 -0.84 114.58 119.57 1lqm h GLU 9 Ca -0.01 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1lqm h GLU 9 Cb 0.50 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1lqm h GLU 9 CO 0.01 -0.14 0.00 1.63 -0.73 0.00 0.00 179.01 179.78 1lqm n LYS 10 N -3.39 0.18 -0.00 1.92 4.01 -0.22 0.29 118.16 120.96 1lqm n LYS 10 Ca -0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 1lqm n LYS 10 Cb 0.12 -1.01 -0.00 0.00 -0.51 0.00 0.00 35.03 33.63 1lqm n LYS 10 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1lqm n GLU 11 N -0.51 5.79 0.00 1.97 -0.58 -0.43 -4.79 120.64 122.09 1lqm n GLU 11 Ca 0.00 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1lqm n GLU 11 Cb 0.00 -0.60 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 1lqm n GLU 11 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1lqm n THR 12 N -1.09 0.00 -0.88 2.62 -2.24 0.17 -5.01 114.28 107.85 1lqm n THR 12 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1lqm n THR 12 Cb 0.01 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 1lqm n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lqm n GLY 13 N 0.00 0.33 3.72 3.38 0.00 0.85 -4.97 105.19 108.51 1lqm n GLY 13 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1lqm n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lqm s LYS 14 N -0.84 4.28 -0.75 1.61 1.02 -1.23 -4.99 119.74 118.84 1lqm s LYS 14 Ca 0.00 0.18 -0.15 0.00 0.02 0.00 0.00 55.97 56.02 1lqm s LYS 14 Cb 0.00 -3.43 0.20 0.00 -0.52 0.00 0.00 37.83 34.07 1lqm s LYS 14 CO 0.00 0.21 0.70 -0.65 -0.92 0.00 0.00 175.35 174.69 1lqm s GLN 15 N 0.53 3.44 0.55 1.68 -0.21 -1.26 -3.09 119.66 121.30 1lqm s GLN 15 Ca 0.19 -2.26 0.05 0.00 0.02 0.00 0.00 55.36 53.35 1lqm s GLN 15 Cb -0.13 -4.39 0.04 0.00 1.00 0.00 0.00 33.01 29.52 1lqm s GLN 15 CO 0.05 -1.30 0.39 -0.51 -2.12 0.00 0.00 175.29 171.80 1lqm s LEU 16 N 0.54 2.65 -0.13 2.90 1.43 -1.26 -5.11 118.68 119.71 1lqm s LEU 16 Ca 0.14 -1.28 -0.01 0.00 -1.03 0.00 0.00 54.13 51.94 1lqm s LEU 16 Cb -0.15 -1.14 0.04 0.00 0.03 0.00 0.00 46.19 44.96 1lqm s LEU 16 CO -0.06 -1.11 -0.01 -0.69 0.23 0.00 0.00 176.35 174.71 1lqm s VAL 17 N -2.79 0.66 -0.20 -1.59 1.01 -1.26 -4.85 120.40 111.39 1lqm s VAL 17 Ca 0.32 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.75 1lqm s VAL 17 Cb -0.02 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 1lqm s VAL 17 CO 0.20 0.14 1.87 -0.63 0.00 0.00 0.00 175.10 176.68 1lqm s ILE 18 N 1.83 3.36 -0.06 2.22 1.01 -1.26 -4.51 121.20 123.79 1lqm s ILE 18 Ca 0.03 0.40 0.14 0.00 0.00 0.00 0.00 60.65 61.22 1lqm s ILE 18 Cb -0.14 -3.40 -0.19 0.00 0.01 0.00 0.00 42.46 38.73 1lqm s ILE 18 CO -0.07 -0.20 0.76 1.56 0.00 0.00 0.00 174.94 176.99 1lqm h GLN 19 N 12.29 0.00 -3.44 2.79 4.20 -1.58 -3.49 115.11 125.88 1lqm h GLN 19 Ca -0.38 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.28 1lqm h GLN 19 Cb 1.19 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.85 1lqm h GLN 19 CO 0.99 0.44 -0.08 -1.83 -0.67 0.00 0.00 178.83 177.68 1lqm s GLU 20 N -2.72 1.15 -0.30 1.46 -1.05 -1.17 -5.03 118.70 111.05 1lqm s GLU 20 Ca -0.04 -0.81 -0.02 0.00 -0.15 0.00 0.00 54.97 53.95 1lqm s GLU 20 Cb 0.08 0.47 0.12 0.00 -0.44 0.00 0.00 34.13 34.36 1lqm s GLU 20 CO 0.82 -0.46 0.20 -1.12 0.95 0.00 0.00 175.26 175.65 1lqm s SER 21 N -2.84 2.78 -0.05 0.83 0.01 -1.26 -0.58 113.70 112.59 1lqm s SER 21 Ca 0.06 -1.23 -0.20 0.00 1.31 0.00 0.00 55.95 55.89 1lqm s SER 21 Cb 0.01 -0.04 -0.05 0.00 0.21 0.00 0.00 66.02 66.16 1lqm s SER 21 CO -0.08 -0.40 0.58 -0.63 0.41 0.00 0.00 173.24 173.12 1lqm s ILE 22 N 2.05 5.01 -0.08 1.44 -1.09 -1.17 -4.78 121.20 122.58 1lqm s ILE 22 Ca 0.10 1.20 -0.26 0.00 -2.23 0.00 0.00 60.65 59.46 1lqm s ILE 22 Cb -0.16 -3.92 -0.03 0.00 -1.58 0.00 0.00 42.46 36.78 1lqm s ILE 22 CO -0.30 0.36 0.84 -0.22 -1.23 0.00 0.00 174.94 174.39 1lqm s LEU 23 N 0.20 4.29 0.04 2.97 2.96 -1.26 -0.63 118.68 127.24 1lqm s LEU 23 Ca 0.31 1.34 0.05 0.00 -0.22 0.00 0.00 54.13 55.60 1lqm s LEU 23 Cb -0.17 -3.29 -0.02 0.00 0.50 0.00 0.00 46.19 43.20 1lqm s LEU 23 CO 0.15 -0.26 -0.13 -0.04 -1.32 0.00 0.00 176.35 174.75 1lqm s MET 24 N 1.33 0.88 0.39 1.98 -1.94 -0.16 -5.00 119.30 116.78 1lqm s MET 24 Ca 0.42 -0.75 -0.19 0.00 -1.71 0.00 0.00 55.69 53.46 1lqm s MET 24 Cb -0.18 -0.87 -0.10 0.00 2.01 0.00 0.00 34.83 35.69 1lqm s MET 24 CO 0.19 0.21 0.88 -0.51 -0.01 0.00 0.00 175.02 175.78 1lqm s LEU 25 N -1.17 4.00 0.22 -0.03 1.43 -1.26 -1.23 118.68 120.65 1lqm s LEU 25 Ca 0.00 1.56 -0.17 0.00 -1.03 0.00 0.00 54.13 54.50 1lqm s LEU 25 Cb -0.08 -4.35 0.23 0.00 0.03 0.00 0.00 46.19 42.01 1lqm s LEU 25 CO 0.01 -0.29 1.57 -0.65 0.23 0.00 0.00 176.35 177.22 1lqm h PRO 26 N 2.10 -0.05 -0.40 1.29 0.11 -1.85 0.12 132.00 133.32 1lqm h PRO 26 Ca -0.49 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.71 1lqm h PRO 26 Cb 1.18 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.23 1lqm h PRO 26 CO 0.63 -0.04 -0.05 0.93 -0.21 0.00 0.00 178.00 179.26 1lqm h GLU 27 N -0.06 0.05 -0.07 1.05 3.07 -1.94 0.43 114.58 117.11 1lqm h GLU 27 Ca 0.32 -0.00 0.02 0.00 -0.50 0.00 0.00 59.36 59.19 1lqm h GLU 27 Cb 0.59 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.46 1lqm h GLU 27 CO -0.87 0.03 -0.27 0.93 -1.40 0.00 0.00 179.01 177.43 1lqm h GLU 28 N 0.05 -0.28 -0.31 2.33 5.08 -1.16 -1.16 114.58 119.13 1lqm h GLU 28 Ca 0.20 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.64 1lqm h GLU 28 Cb 0.29 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.53 1lqm h GLU 28 CO -0.38 -0.19 -0.33 0.28 -1.00 0.00 0.00 179.01 177.40 1lqm h VAL 29 N -0.29 0.24 -1.07 3.13 2.07 -0.76 -1.38 116.25 118.19 1lqm h VAL 29 Ca 0.02 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.87 1lqm h VAL 29 Cb 0.34 0.24 -0.14 0.00 -1.52 0.00 0.00 31.29 30.21 1lqm h VAL 29 CO -0.22 0.00 0.64 -0.08 0.02 0.00 0.00 177.57 177.93 1lqm h GLU 30 N -0.30 0.29 0.78 1.57 4.81 0.39 0.12 114.58 122.24 1lqm h GLU 30 Ca 0.14 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1lqm h GLU 30 Cb 0.54 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.86 1lqm h GLU 30 CO -0.48 0.19 -0.37 1.49 -0.73 0.00 0.00 179.01 179.11 1lqm h GLU 31 N 0.30 -1.01 0.20 1.92 4.81 -0.05 0.15 114.58 120.90 1lqm h GLU 31 Ca 0.73 0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 60.01 1lqm h GLU 31 Cb 1.80 0.23 0.00 0.00 0.63 0.00 0.00 28.75 31.41 1lqm h GLU 31 CO -0.51 -0.67 -0.10 0.28 -0.73 0.00 0.00 179.01 177.28 1lqm h VAL 32 N -1.06 0.00 -0.17 0.32 2.07 -1.39 -3.27 116.25 112.75 1lqm h VAL 32 Ca -0.11 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 67.15 1lqm h VAL 32 Cb 0.80 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1lqm h VAL 32 CO 0.18 0.00 0.24 0.40 0.02 0.00 0.00 177.57 178.41 1lqm h ILE 33 N -0.58 0.32 0.00 4.57 1.08 -0.95 -3.45 117.51 118.50 1lqm h ILE 33 Ca -0.03 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1lqm h ILE 33 Cb 0.20 0.80 0.00 0.00 -3.07 0.00 0.00 36.82 34.75 1lqm h ILE 33 CO 0.04 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.11 1lqm n GLY 34 N -1.35 2.68 3.36 5.37 0.00 0.50 -4.99 105.19 110.77 1lqm n GLY 34 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1lqm n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1lqm s ASN 35 N -2.80 3.66 -0.22 1.61 2.47 -1.22 -4.89 114.94 113.56 1lqm s ASN 35 Ca 0.00 -0.36 -0.19 0.00 0.42 0.00 0.00 52.86 52.73 1lqm s ASN 35 Cb 0.00 -1.11 -0.03 0.00 -1.45 0.00 0.00 41.25 38.66 1lqm s ASN 35 CO 0.00 0.25 0.57 -0.75 -3.72 0.00 0.00 177.10 173.44 1lqm s LYS 36 N -0.16 4.16 0.63 0.43 2.20 -1.26 -3.03 119.74 122.71 1lqm s LYS 36 Ca -0.02 0.47 -0.11 0.00 -0.36 0.00 0.00 55.97 55.95 1lqm s LYS 36 Cb -0.14 -3.60 -0.03 0.00 -1.51 0.00 0.00 37.83 32.55 1lqm s LYS 36 CO 0.04 -0.25 1.03 -1.25 -0.36 0.00 0.00 175.35 174.56 1lqm s PRO 37 N 1.98 3.46 0.29 4.03 0.04 -1.26 -4.98 135.00 138.56 1lqm s PRO 37 Ca 0.25 0.82 0.13 0.00 0.04 0.00 0.00 61.00 62.23 1lqm s PRO 37 Cb -0.16 -2.06 0.39 0.00 0.04 0.00 0.00 34.50 32.71 1lqm s PRO 37 CO 0.09 -0.68 1.61 0.93 0.04 0.00 0.00 177.00 179.00 1lqm h GLU 38 N -0.32 0.00 -4.83 4.56 5.08 -1.97 -3.44 114.58 113.66 1lqm h GLU 38 Ca -0.44 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.51 1lqm h GLU 38 Cb 1.19 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.31 1lqm h GLU 38 CO 0.61 0.58 -0.53 -1.54 -1.00 0.00 0.00 179.01 177.12 1lqm s SER 39 N -6.71 1.34 0.37 1.42 1.04 -1.26 -5.02 113.70 104.88 1lqm s SER 39 Ca -0.01 -1.64 -0.28 0.00 0.48 0.00 0.00 55.95 54.50 1lqm s SER 39 Cb 0.12 0.49 -0.10 0.00 0.10 0.00 0.00 66.02 66.62 1lqm s SER 39 CO 0.75 -0.98 1.41 -1.81 0.98 0.00 0.00 173.24 173.59 1lqm s ASP 40 N -3.33 6.46 0.28 7.02 1.01 -1.26 -4.36 116.67 122.48 1lqm s ASP 40 Ca 0.39 2.90 0.11 0.00 0.71 0.00 0.00 52.55 56.67 1lqm s ASP 40 Cb 0.04 -2.66 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 1lqm s ASP 40 CO 0.22 -0.77 -0.16 0.27 0.21 0.00 0.00 175.17 174.94 1lqm s ILE 41 N -1.14 2.65 -0.24 0.77 -5.25 -0.36 -2.26 121.20 115.37 1lqm s ILE 41 Ca 0.52 -2.31 -0.04 0.00 -0.99 0.00 0.00 60.65 57.83 1lqm s ILE 41 Cb -0.44 -2.41 -0.00 0.00 2.95 0.00 0.00 42.46 42.56 1lqm s ILE 41 CO 0.59 -0.39 -0.01 -0.76 -1.79 0.00 0.00 174.94 172.58 1lqm s LEU 42 N -3.55 3.17 -1.25 0.37 1.43 0.22 -0.99 118.68 118.09 1lqm s LEU 42 Ca 0.30 -0.50 -0.13 0.00 -1.03 0.00 0.00 54.13 52.78 1lqm s LEU 42 Cb -0.05 -1.77 0.16 0.00 0.03 0.00 0.00 46.19 44.55 1lqm s LEU 42 CO 0.16 -0.07 1.65 0.52 0.23 0.00 0.00 176.35 178.84 1lqm n VAL 43 N 4.81 4.23 -1.87 -1.59 0.31 0.19 -2.55 118.33 121.86 1lqm n VAL 43 Ca -0.17 -4.48 -0.40 0.00 -0.01 0.00 0.00 64.34 59.27 1lqm n VAL 43 Cb 0.50 -2.42 -0.03 0.00 -0.91 0.00 0.00 33.84 30.98 1lqm n VAL 43 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1lqm s HIS 44 N 1.44 1.53 -0.13 3.52 0.09 -1.08 -3.02 115.29 117.63 1lqm s HIS 44 Ca 0.43 0.84 -0.07 0.00 -0.00 0.00 0.00 55.06 56.26 1lqm s HIS 44 Cb 0.03 -3.98 -0.04 0.00 -0.00 0.00 0.00 32.58 28.58 1lqm s HIS 44 CO 0.01 -2.86 0.12 0.99 -0.00 0.00 0.00 174.74 173.00 1lqm s THR 45 N 8.72 5.33 0.02 1.30 2.01 0.26 -2.18 115.64 131.09 1lqm s THR 45 Ca 0.83 0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.98 1lqm s THR 45 Cb -0.20 -3.33 -0.02 0.00 0.01 0.00 0.00 72.50 68.96 1lqm s THR 45 CO 0.29 0.58 -0.05 0.00 -0.69 0.00 0.00 174.62 174.75 1lqm s ALA 46 N -0.73 0.38 -0.12 7.40 0.00 -0.32 -1.29 121.76 127.07 1lqm s ALA 46 Ca 0.13 -0.53 -0.04 0.00 0.00 0.00 0.00 51.96 51.52 1lqm s ALA 46 Cb -0.12 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 1lqm s ALA 46 CO 0.03 -0.02 0.04 -0.47 0.00 0.00 0.00 175.76 175.33 1lqm s TYR 47 N -0.97 3.24 -0.78 0.00 5.04 -1.26 0.25 117.35 122.86 1lqm s TYR 47 Ca -0.08 0.17 -0.04 0.00 -2.44 0.00 0.00 57.07 54.68 1lqm s TYR 47 Cb -0.07 -1.90 0.20 0.00 0.35 0.00 0.00 41.96 40.53 1lqm s TYR 47 CO -0.00 0.39 0.65 0.34 -1.34 0.00 0.00 175.55 175.59 1lqm s ASP 48 N -0.47 5.82 0.36 4.32 2.15 0.57 -4.84 116.67 124.58 1lqm s ASP 48 Ca 0.09 -3.24 0.10 0.00 0.43 0.00 0.00 52.55 49.93 1lqm s ASP 48 Cb -0.12 -1.93 0.84 0.00 -0.30 0.00 0.00 42.92 41.41 1lqm s ASP 48 CO 0.02 -0.31 1.87 1.05 -0.17 0.00 0.00 175.17 177.63 1lqm h GLU 49 N 6.67 0.64 0.08 4.34 4.11 -1.95 0.31 114.58 128.78 1lqm h GLU 49 Ca 0.08 -0.04 0.02 0.00 0.07 0.00 0.00 59.36 59.50 1lqm h GLU 49 Cb 0.90 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 1lqm h GLU 49 CO 0.79 0.42 -0.34 0.77 0.07 0.00 0.00 179.01 180.72 1lqm h SER 50 N 0.66 -1.01 -0.71 3.06 0.02 -1.96 -2.77 113.55 110.84 1lqm h SER 50 Ca 0.45 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.52 1lqm h SER 50 Cb 0.75 0.39 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1lqm h SER 50 CO -0.20 -0.42 0.00 0.35 -1.14 0.00 0.00 176.83 175.42 1lqm n THR 51 N -5.43 1.01 -3.61 -2.27 -2.24 -1.01 -5.00 114.28 95.73 1lqm n THR 51 Ca -0.06 -0.97 -0.21 0.00 -2.27 0.00 0.00 64.05 60.54 1lqm n THR 51 Cb 0.34 0.45 0.01 0.00 -2.10 0.00 0.00 70.33 69.03 1lqm n THR 51 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1lqm n ASP 52 N 1.56 -5.63 -3.65 3.42 2.03 0.10 -4.92 116.55 109.46 1lqm n ASP 52 Ca 0.24 -0.78 -0.15 0.00 0.52 0.00 0.00 54.79 54.62 1lqm n ASP 52 Cb 0.62 -2.88 -0.08 0.00 -0.72 0.00 0.00 41.12 38.07 1lqm n ASP 52 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1lqm s GLU 53 N -4.81 0.82 -0.27 -0.67 -1.05 -0.92 -3.68 118.70 108.12 1lqm s GLU 53 Ca 0.12 0.12 -0.19 0.00 -0.15 0.00 0.00 54.97 54.87 1lqm s GLU 53 Cb -0.05 0.38 -0.02 0.00 -0.44 0.00 0.00 34.13 34.00 1lqm s GLU 53 CO 0.86 -0.23 0.58 -0.80 0.95 0.00 0.00 175.26 176.62 1lqm s ASN 54 N -1.05 6.50 -0.24 0.83 0.01 -0.44 -0.32 114.94 120.24 1lqm s ASN 54 Ca -0.11 0.55 -0.11 0.00 -0.71 0.00 0.00 52.86 52.49 1lqm s ASN 54 Cb -0.03 -2.31 -0.05 0.00 0.41 0.00 0.00 41.25 39.27 1lqm s ASN 54 CO 0.06 -0.37 0.16 -0.69 -1.51 0.00 0.00 177.10 174.76 1lqm s VAL 55 N 2.45 5.36 -0.07 1.60 1.01 0.14 -1.80 120.40 129.08 1lqm s VAL 55 Ca 0.24 0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.42 1lqm s VAL 55 Cb -0.15 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.74 1lqm s VAL 55 CO 0.10 0.34 -0.13 -0.04 0.00 0.00 0.00 175.10 175.37 1lqm s MET 56 N 1.10 1.80 -0.27 2.72 1.00 0.14 -1.17 119.30 124.61 1lqm s MET 56 Ca 0.08 -0.44 -0.05 0.00 0.00 0.00 0.00 55.69 55.28 1lqm s MET 56 Cb -0.14 -1.50 0.01 0.00 0.00 0.00 0.00 34.83 33.20 1lqm s MET 56 CO 0.05 0.00 0.02 -1.17 0.00 0.00 0.00 175.02 173.92 1lqm s LEU 57 N 0.76 3.50 -0.03 -0.03 2.96 -0.93 0.22 118.68 125.13 1lqm s LEU 57 Ca -0.13 -0.67 -0.18 0.00 -0.22 0.00 0.00 54.13 52.93 1lqm s LEU 57 Cb -0.16 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.68 1lqm s LEU 57 CO 0.03 -0.14 0.51 -0.76 -1.32 0.00 0.00 176.35 174.67 1lqm s LEU 58 N 1.46 4.39 0.08 -0.68 1.43 0.19 -2.65 118.68 122.91 1lqm s LEU 58 Ca 0.03 1.01 -0.02 0.00 -1.03 0.00 0.00 54.13 54.11 1lqm s LEU 58 Cb -0.16 -2.77 -0.03 0.00 0.03 0.00 0.00 46.19 43.25 1lqm s LEU 58 CO -0.00 0.13 0.04 0.42 0.23 0.00 0.00 176.35 177.17 1lqm s THR 59 N -0.20 0.17 0.75 5.49 -4.23 -1.06 0.11 115.64 116.67 1lqm s THR 59 Ca 0.28 -1.73 -0.11 0.00 -1.18 0.00 0.00 61.69 58.94 1lqm s THR 59 Cb -0.17 -1.65 0.04 0.00 1.34 0.00 0.00 72.50 72.06 1lqm s THR 59 CO 0.14 -0.77 1.08 -0.94 -0.54 0.00 0.00 174.62 173.59 1lqm s SER 60 N -2.95 4.96 1.08 3.99 1.04 -0.77 0.71 113.70 121.77 1lqm s SER 60 Ca 0.12 1.36 -0.18 0.00 0.48 0.00 0.00 55.95 57.73 1lqm s SER 60 Cb 0.07 -2.16 0.07 0.00 0.10 0.00 0.00 66.02 64.10 1lqm s SER 60 CO -0.06 -1.68 -0.03 -0.67 0.98 0.00 0.00 173.24 171.77 1lqm n ASP 61 N -3.25 -2.43 -4.79 7.02 2.03 -0.96 -2.56 116.55 111.62 1lqm n ASP 61 Ca 0.07 -0.03 -0.34 0.00 0.52 0.00 0.00 54.79 55.00 1lqm n ASP 61 Cb 0.56 -0.97 -0.02 0.00 -0.72 0.00 0.00 41.12 39.97 1lqm n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1lqm s ALA 62 N -2.25 2.78 -2.09 -1.67 0.00 -1.26 -1.47 121.76 115.81 1lqm s ALA 62 Ca 0.55 0.68 0.15 0.00 0.00 0.00 0.00 51.96 53.33 1lqm s ALA 62 Cb -0.12 -3.30 0.46 0.00 0.00 0.00 0.00 23.12 20.16 1lqm s ALA 62 CO 0.67 -0.55 1.36 -0.35 0.00 0.00 0.00 175.76 176.89 1lqm n PRO 63 N -1.20 1.90 0.20 0.00 -0.04 -1.26 -4.89 135.00 129.71 1lqm n PRO 63 Ca 0.10 -1.39 -0.10 0.00 -0.04 0.00 0.00 63.50 62.07 1lqm n PRO 63 Cb 0.52 -1.34 -0.05 0.00 -0.04 0.00 0.00 33.50 32.59 1lqm n PRO 63 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1lqm h GLU 64 N 2.39 -0.58 -2.63 0.54 4.39 -1.53 -3.46 114.58 113.70 1lqm h GLU 64 Ca 0.00 0.04 -0.36 0.00 0.34 0.00 0.00 59.36 59.38 1lqm h GLU 64 Cb 0.54 0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 29.26 1lqm h GLU 64 CO 0.00 -0.39 -0.42 0.66 -1.16 0.00 0.00 179.01 177.70 1lqm n TYR 65 N -4.00 -0.84 -2.54 4.33 4.01 -0.75 -4.95 117.16 112.43 1lqm n TYR 65 Ca -0.07 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.24 1lqm n TYR 65 Cb 0.26 -3.45 -0.03 0.00 -0.31 0.00 0.00 39.34 35.82 1lqm n TYR 65 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1lqm s LYS 66 N -4.58 4.39 0.36 -0.72 2.20 -1.26 -4.68 119.74 115.44 1lqm s LYS 66 Ca 0.00 1.58 -0.27 0.00 -0.36 0.00 0.00 55.97 56.92 1lqm s LYS 66 Cb 0.00 -3.54 -0.12 0.00 -1.51 0.00 0.00 37.83 32.66 1lqm s LYS 66 CO 0.00 -0.38 1.14 -2.30 -0.36 0.00 0.00 175.35 173.45 1lqm n PRO 67 N 5.01 1.70 0.00 4.03 -0.02 -1.26 -1.84 135.00 142.62 1lqm n PRO 67 Ca 0.10 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1lqm n PRO 67 Cb 0.47 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1lqm n PRO 67 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1lqm n TRP 68 N 0.02 0.00 -3.53 6.00 -0.00 0.12 -4.87 117.44 115.18 1lqm n TRP 68 Ca 0.07 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.48 1lqm n TRP 68 Cb 0.36 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.64 1lqm n TRP 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1lqm s ALA 69 N -1.44 -1.86 -0.15 5.87 0.00 -1.03 -2.96 121.76 120.19 1lqm s ALA 69 Ca 0.00 1.22 -0.01 0.00 0.00 0.00 0.00 51.96 53.17 1lqm s ALA 69 Cb 0.00 0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.20 1lqm s ALA 69 CO 0.00 -0.56 -0.05 -1.17 0.00 0.00 0.00 175.76 173.99 1lqm s LEU 70 N -2.00 1.47 -0.06 0.00 2.96 -0.27 0.57 118.68 121.34 1lqm s LEU 70 Ca 0.02 -0.59 0.03 0.00 -0.22 0.00 0.00 54.13 53.38 1lqm s LEU 70 Cb -0.01 -0.85 -0.02 0.00 0.50 0.00 0.00 46.19 45.81 1lqm s LEU 70 CO -0.05 -0.18 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.96 1lqm s VAL 71 N 1.68 2.94 -0.34 1.68 1.01 0.13 -1.65 120.40 125.86 1lqm s VAL 71 Ca 0.01 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1lqm s VAL 71 Cb -0.15 -2.16 0.10 0.00 0.00 0.00 0.00 36.38 34.18 1lqm s VAL 71 CO -0.08 0.58 0.09 -0.63 0.00 0.00 0.00 175.10 175.06 1lqm s ILE 72 N -0.48 1.72 -0.05 2.22 1.01 -0.53 0.24 121.20 125.32 1lqm s ILE 72 Ca 0.06 -2.03 -0.17 0.00 0.00 0.00 0.00 60.65 58.51 1lqm s ILE 72 Cb -0.12 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.03 1lqm s ILE 72 CO 0.02 -0.65 0.46 -1.58 0.00 0.00 0.00 174.94 173.18 1lqm s GLN 73 N 1.10 4.16 0.32 2.79 0.74 -0.74 -1.69 119.66 126.34 1lqm s GLN 73 Ca 0.11 0.46 0.02 0.00 0.05 0.00 0.00 55.36 56.00 1lqm s GLN 73 Cb -0.19 -3.33 0.06 0.00 1.10 0.00 0.00 33.01 30.65 1lqm s GLN 73 CO -0.14 0.43 0.44 -0.40 -0.55 0.00 0.00 175.29 175.07 1lqm n ASP 74 N 2.71 0.76 0.23 6.67 5.68 -0.17 -1.32 116.55 131.11 1lqm n ASP 74 Ca -0.10 -1.60 0.08 0.00 -0.50 0.00 0.00 54.79 52.66 1lqm n ASP 74 Cb 0.52 -0.27 0.62 0.00 -1.14 0.00 0.00 41.12 40.85 1lqm n ASP 74 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1lqm h SER 75 N -0.17 0.04 0.25 -1.12 4.64 -1.90 -1.42 113.55 113.88 1lqm h SER 75 Ca -0.15 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.09 1lqm h SER 75 Cb 0.58 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 1lqm h SER 75 CO 0.17 0.03 -0.35 0.78 -0.87 0.00 0.00 176.83 176.59 1lqm h ASN 76 N 0.05 0.16 0.00 4.97 -0.26 -1.93 -3.46 115.58 115.10 1lqm h ASN 76 Ca 0.02 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.70 1lqm h ASN 76 Cb 0.01 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.23 1lqm h ASN 76 CO -0.00 0.51 0.00 0.61 -1.06 0.00 0.00 177.43 177.48 1lqm n GLY 77 N -0.39 1.57 3.53 2.83 0.00 -0.53 -5.09 105.19 107.10 1lqm n GLY 77 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1lqm n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lqm s GLU 78 N -0.45 2.72 0.02 1.61 2.02 -1.26 -4.90 118.70 118.45 1lqm s GLU 78 Ca 0.00 -0.61 0.07 0.00 0.02 0.00 0.00 54.97 54.45 1lqm s GLU 78 Cb 0.00 -2.52 -0.02 0.00 0.10 0.00 0.00 34.13 31.69 1lqm s GLU 78 CO 0.00 0.61 -0.20 0.54 0.02 0.00 0.00 175.26 176.23 1lqm s ASN 79 N -0.69 2.38 -0.32 -0.19 4.22 -1.26 -1.00 114.94 118.07 1lqm s ASN 79 Ca 0.10 -0.45 -0.19 0.00 -2.14 0.00 0.00 52.86 50.18 1lqm s ASN 79 Cb -0.11 -0.23 -0.01 0.00 1.28 0.00 0.00 41.25 42.19 1lqm s ASN 79 CO 0.01 0.19 0.58 -0.54 -2.04 0.00 0.00 177.10 175.31 1lqm s LYS 80 N -0.85 3.79 -0.01 3.55 1.02 -0.68 -4.88 119.74 121.67 1lqm s LYS 80 Ca 0.07 0.11 -0.06 0.00 0.02 0.00 0.00 55.97 56.11 1lqm s LYS 80 Cb -0.08 -3.76 -0.05 0.00 -0.52 0.00 0.00 37.83 33.42 1lqm s LYS 80 CO 0.01 -0.60 0.25 0.42 -0.92 0.00 0.00 175.35 174.50 1lqm s ILE 81 N 2.54 5.34 -0.20 2.17 1.01 -1.26 -1.46 121.20 129.33 1lqm s ILE 81 Ca 0.23 0.15 -0.04 0.00 0.00 0.00 0.00 60.65 60.99 1lqm s ILE 81 Cb -0.15 -3.55 0.09 0.00 0.01 0.00 0.00 42.46 38.87 1lqm s ILE 81 CO 0.13 0.40 0.24 -0.75 0.00 0.00 0.00 174.94 174.96 1lqm s LYS 82 N -1.67 0.20 -0.09 2.79 2.20 -0.66 -5.00 119.74 117.51 1lqm s LYS 82 Ca 0.26 0.30 -0.30 0.00 -0.36 0.00 0.00 55.97 55.87 1lqm s LYS 82 Cb -0.13 -1.00 -0.03 0.00 -1.51 0.00 0.00 37.83 35.16 1lqm s LYS 82 CO 0.15 -0.61 1.37 -1.64 -0.36 0.00 0.00 175.35 174.26 1lqm s MET 83 N 2.36 4.25 0.00 4.03 -1.94 -1.26 -1.11 119.30 125.62 1lqm s MET 83 Ca 0.07 1.84 0.27 0.00 -1.71 0.00 0.00 55.69 56.16 1lqm s MET 83 Cb -0.15 -3.75 0.87 0.00 2.01 0.00 0.00 34.83 33.81 1lqm s MET 83 CO -0.12 -0.68 1.64 1.28 -0.01 0.00 0.00 175.02 177.14