#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqg s LEU 16 N 0.00 3.96 -0.42 1.08 1.98 -1.26 -4.98 118.68 119.03 1lqg s LEU 16 Ca 0.00 1.33 -0.17 0.00 -2.89 0.00 0.00 54.13 52.40 1lqg s LEU 16 Cb 0.00 -3.54 0.02 0.00 0.66 0.00 0.00 46.19 43.33 1lqg s LEU 16 CO 0.00 -1.00 0.45 -0.69 -1.89 0.00 0.00 176.35 173.22 1lqg s VAL 17 N 4.15 5.08 -0.53 1.68 1.01 -1.26 -5.03 120.40 125.50 1lqg s VAL 17 Ca 0.56 -0.36 -0.28 0.00 0.00 0.00 0.00 61.98 61.90 1lqg s VAL 17 Cb -0.18 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.16 1lqg s VAL 17 CO 0.21 -0.44 1.44 -0.63 0.00 0.00 0.00 175.10 175.67 1lqg s ILE 18 N 2.15 3.78 0.12 2.22 -1.09 -1.26 -4.44 121.20 122.69 1lqg s ILE 18 Ca 0.12 0.69 -0.01 0.00 -2.23 0.00 0.00 60.65 59.22 1lqg s ILE 18 Cb -0.17 -4.36 -0.21 0.00 -1.58 0.00 0.00 42.46 36.13 1lqg s ILE 18 CO 0.14 -1.08 1.27 1.56 -1.23 0.00 0.00 174.94 175.60 1lqg h GLN 19 N 11.19 0.26 -3.83 2.79 4.20 -1.29 -3.48 115.11 124.94 1lqg h GLN 19 Ca -0.27 -0.35 -0.09 0.00 0.06 0.00 0.00 58.65 58.00 1lqg h GLN 19 Cb 1.10 0.11 -0.11 0.00 0.30 0.00 0.00 27.48 28.88 1lqg h GLN 19 CO 1.16 1.09 -0.23 -1.83 -0.67 0.00 0.00 178.83 178.35 1lqg s GLU 20 N -2.99 1.41 -0.26 1.46 -1.05 -1.01 -5.01 118.70 111.24 1lqg s GLU 20 Ca -0.04 -1.28 -0.02 0.00 -0.15 0.00 0.00 54.97 53.48 1lqg s GLU 20 Cb 0.09 0.42 0.14 0.00 -0.44 0.00 0.00 34.13 34.34 1lqg s GLU 20 CO 0.86 -0.56 0.40 -1.12 0.95 0.00 0.00 175.26 175.79 1lqg s SER 21 N -3.02 0.16 -0.14 0.83 0.01 -1.25 -1.09 113.70 109.19 1lqg s SER 21 Ca 0.23 0.16 -0.06 0.00 1.31 0.00 0.00 55.95 57.60 1lqg s SER 21 Cb 0.01 1.19 -0.04 0.00 0.21 0.00 0.00 66.02 67.39 1lqg s SER 21 CO 0.07 -0.31 0.09 -0.63 0.41 0.00 0.00 173.24 172.87 1lqg s ILE 22 N 2.57 5.05 -0.17 1.44 -1.09 -0.79 -4.84 121.20 123.38 1lqg s ILE 22 Ca 0.13 0.04 -0.23 0.00 -2.23 0.00 0.00 60.65 58.37 1lqg s ILE 22 Cb -0.15 -3.21 -0.02 0.00 -1.58 0.00 0.00 42.46 37.49 1lqg s ILE 22 CO -0.19 0.56 0.70 -0.22 -1.23 0.00 0.00 174.94 174.57 1lqg s LEU 23 N -0.51 4.18 0.00 2.97 2.96 -1.26 0.01 118.68 127.04 1lqg s LEU 23 Ca 0.11 1.00 0.05 0.00 -0.22 0.00 0.00 54.13 55.07 1lqg s LEU 23 Cb -0.12 -3.03 -0.02 0.00 0.50 0.00 0.00 46.19 43.53 1lqg s LEU 23 CO 0.02 -0.29 -0.16 -0.04 -1.32 0.00 0.00 176.35 174.56 1lqg s MET 24 N 1.81 1.23 0.52 1.98 -1.94 0.14 -4.96 119.30 118.07 1lqg s MET 24 Ca 0.33 -0.65 -0.15 0.00 -1.71 0.00 0.00 55.69 53.51 1lqg s MET 24 Cb -0.16 -1.22 -0.07 0.00 2.01 0.00 0.00 34.83 35.39 1lqg s MET 24 CO 0.12 0.33 0.97 -0.51 -0.01 0.00 0.00 175.02 175.91 1lqg s LEU 25 N -0.61 3.60 0.20 -0.03 1.43 -1.26 0.07 118.68 122.07 1lqg s LEU 25 Ca 0.05 1.50 -0.20 0.00 -1.03 0.00 0.00 54.13 54.46 1lqg s LEU 25 Cb -0.07 -4.45 0.16 0.00 0.03 0.00 0.00 46.19 41.87 1lqg s LEU 25 CO 0.00 -0.60 1.57 -0.65 0.23 0.00 0.00 176.35 176.90 1lqg h PRO 26 N 0.79 -0.10 -0.41 1.29 0.11 -1.82 -1.65 132.00 130.22 1lqg h PRO 26 Ca -0.46 0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.74 1lqg h PRO 26 Cb 1.19 0.02 -0.09 0.00 0.11 0.00 0.00 31.00 32.23 1lqg h PRO 26 CO 0.62 -0.07 -0.22 0.93 -0.21 0.00 0.00 178.00 179.06 1lqg h GLU 27 N -0.10 -0.14 -0.98 1.05 3.07 -1.94 -0.00 114.58 115.54 1lqg h GLU 27 Ca 0.27 0.01 0.11 0.00 -0.50 0.00 0.00 59.36 59.25 1lqg h GLU 27 Cb 0.57 0.03 -0.08 0.00 -0.84 0.00 0.00 28.75 28.43 1lqg h GLU 27 CO -0.80 -0.09 0.61 0.93 -1.40 0.00 0.00 179.01 178.26 1lqg h GLU 28 N -0.14 0.97 0.05 2.33 5.08 -1.70 -2.50 114.58 118.67 1lqg h GLU 28 Ca 0.20 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1lqg h GLU 28 Cb 0.45 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1lqg h GLU 28 CO -0.49 0.64 -0.03 0.28 -1.00 0.00 0.00 179.01 178.41 1lqg h VAL 29 N 1.00 1.25 -0.93 3.13 2.07 -0.71 -3.22 116.25 118.84 1lqg h VAL 29 Ca 0.47 -1.09 0.22 0.00 0.82 0.00 0.00 66.70 67.12 1lqg h VAL 29 Cb 0.42 1.96 -0.07 0.00 -1.52 0.00 0.00 31.29 32.08 1lqg h VAL 29 CO -0.25 0.27 0.62 -0.08 0.02 0.00 0.00 177.57 178.15 1lqg h GLU 30 N -0.57 0.33 0.00 1.57 4.81 -0.80 0.51 114.58 120.43 1lqg h GLU 30 Ca -0.01 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1lqg h GLU 30 Cb 0.50 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 1lqg h GLU 30 CO 0.01 0.22 -0.11 1.49 -0.73 0.00 0.00 179.01 179.89 1lqg h GLU 31 N 0.34 0.00 0.00 1.92 4.81 -1.46 0.45 114.58 120.64 1lqg h GLU 31 Ca 0.49 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.38 1lqg h GLU 31 Cb 1.31 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.64 1lqg h GLU 31 CO -0.17 0.11 -2.17 0.28 -0.73 0.00 0.00 179.01 176.33 1lqg n VAL 32 N -4.01 1.16 0.07 0.32 0.31 0.13 -4.64 118.33 111.67 1lqg n VAL 32 Ca -0.02 -0.36 -0.11 0.00 -0.01 0.00 0.00 64.34 63.84 1lqg n VAL 32 Cb 0.20 -1.53 -0.02 0.00 -0.91 0.00 0.00 33.84 31.58 1lqg n VAL 32 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1lqg h ILE 33 N -0.43 1.44 0.00 2.52 1.08 -0.33 -3.47 117.51 118.31 1lqg h ILE 33 Ca -0.50 -2.48 0.00 0.00 -0.39 0.00 0.00 64.86 61.49 1lqg h ILE 33 Cb 1.57 2.40 0.00 0.00 -3.07 0.00 0.00 36.82 37.72 1lqg h ILE 33 CO -0.21 0.73 0.00 0.61 -0.69 0.00 0.00 178.15 178.59 1lqg n GLY 34 N 0.87 2.98 3.57 5.37 0.00 0.16 -5.02 105.19 113.12 1lqg n GLY 34 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 1lqg n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1lqg s ASN 35 N -1.19 4.26 -0.18 1.61 0.02 -1.26 -4.98 114.94 113.23 1lqg s ASN 35 Ca 0.00 -0.57 -0.06 0.00 -1.02 0.00 0.00 52.86 51.21 1lqg s ASN 35 Cb 0.00 -0.72 -0.03 0.00 0.02 0.00 0.00 41.25 40.51 1lqg s ASN 35 CO 0.00 0.10 0.03 -0.75 0.02 0.00 0.00 177.10 176.50 1lqg s LYS 36 N -2.82 3.83 0.11 -0.60 2.20 -1.26 -3.53 119.74 117.67 1lqg s LYS 36 Ca 0.25 -0.42 -0.30 0.00 -0.36 0.00 0.00 55.97 55.13 1lqg s LYS 36 Cb -0.09 -3.12 -0.06 0.00 -1.51 0.00 0.00 37.83 33.05 1lqg s LYS 36 CO 0.15 0.21 1.16 -1.25 -0.36 0.00 0.00 175.35 175.26 1lqg s PRO 37 N 0.51 4.49 0.00 4.03 0.04 -1.26 -4.91 135.00 137.90 1lqg s PRO 37 Ca 0.01 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1lqg s PRO 37 Cb -0.13 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1lqg s PRO 37 CO 0.02 -0.13 0.39 -0.85 0.04 0.00 0.00 177.00 176.47 1lqg n GLU 38 N 3.28 0.43 -3.21 4.56 0.00 -1.26 -4.62 120.64 119.82 1lqg n GLU 38 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.22 1lqg n GLU 38 Cb 0.46 -1.04 0.00 0.00 0.00 0.00 0.00 31.44 30.86 1lqg n GLU 38 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1lqg n SER 39 N -0.35 0.00 -4.57 -1.84 3.41 -1.26 -5.11 113.62 103.90 1lqg n SER 39 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 1lqg n SER 39 Cb 0.02 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.03 1lqg n SER 39 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1lqg n ASP 40 N 0.63 0.09 -4.19 4.04 8.00 -1.26 -4.28 116.55 119.58 1lqg n ASP 40 Ca 0.00 0.72 -0.23 0.00 0.71 0.00 0.00 54.79 55.99 1lqg n ASP 40 Cb 0.00 -1.33 -0.14 0.00 -0.02 0.00 0.00 41.12 39.63 1lqg n ASP 40 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1lqg s ILE 41 N -1.69 1.37 -0.27 0.53 -1.09 0.11 -3.48 121.20 116.68 1lqg s ILE 41 Ca 0.73 -1.01 -0.05 0.00 -2.23 0.00 0.00 60.65 58.09 1lqg s ILE 41 Cb -0.39 -1.19 0.01 0.00 -1.58 0.00 0.00 42.46 39.31 1lqg s ILE 41 CO 0.50 0.16 0.03 -0.76 -1.23 0.00 0.00 174.94 173.65 1lqg s LEU 42 N -0.98 3.51 -0.62 2.97 1.43 0.19 0.23 118.68 125.41 1lqg s LEU 42 Ca 0.05 -0.64 -0.18 0.00 -1.03 0.00 0.00 54.13 52.32 1lqg s LEU 42 Cb -0.08 -1.81 0.12 0.00 0.03 0.00 0.00 46.19 44.44 1lqg s LEU 42 CO 0.01 -0.13 0.70 -0.69 0.23 0.00 0.00 176.35 176.46 1lqg s VAL 43 N 1.47 4.93 -0.46 -1.59 1.01 0.10 -1.65 120.40 124.21 1lqg s VAL 43 Ca 0.03 -1.20 -0.23 0.00 0.00 0.00 0.00 61.98 60.58 1lqg s VAL 43 Cb -0.16 -4.48 0.03 0.00 0.00 0.00 0.00 36.38 31.76 1lqg s VAL 43 CO 0.00 -1.10 0.79 -1.00 0.00 0.00 0.00 175.10 173.79 1lqg s HIS 44 N 2.35 2.98 -0.15 5.22 0.09 -0.41 -1.88 115.29 123.50 1lqg s HIS 44 Ca 0.11 0.12 -0.06 0.00 -0.00 0.00 0.00 55.06 55.23 1lqg s HIS 44 Cb -0.23 -3.68 -0.04 0.00 -0.00 0.00 0.00 32.58 28.62 1lqg s HIS 44 CO 0.04 -1.01 0.06 0.99 -0.00 0.00 0.00 174.74 174.82 1lqg s THR 45 N 3.31 4.83 -0.07 1.30 2.01 -0.25 -1.18 115.64 125.59 1lqg s THR 45 Ca 0.29 -0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.29 1lqg s THR 45 Cb -0.12 -3.13 0.01 0.00 0.01 0.00 0.00 72.50 69.26 1lqg s THR 45 CO 0.22 0.52 -0.16 0.00 -0.69 0.00 0.00 174.62 174.52 1lqg s ALA 46 N -0.17 1.51 0.17 7.40 0.00 -0.92 -0.70 121.76 129.04 1lqg s ALA 46 Ca 0.08 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 51.50 1lqg s ALA 46 Cb -0.12 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 1lqg s ALA 46 CO 0.01 0.17 0.22 -0.47 0.00 0.00 0.00 175.76 175.70 1lqg s TYR 47 N 0.53 3.31 -0.31 0.00 5.04 -1.26 -2.23 117.35 122.43 1lqg s TYR 47 Ca -0.15 0.03 0.03 0.00 -2.44 0.00 0.00 57.07 54.54 1lqg s TYR 47 Cb -0.16 -1.57 0.09 0.00 0.35 0.00 0.00 41.96 40.66 1lqg s TYR 47 CO 0.05 0.51 0.02 0.34 -1.34 0.00 0.00 175.55 175.13 1lqg s ASP 48 N -3.28 4.50 0.22 4.32 -1.08 -0.59 -4.98 116.67 115.78 1lqg s ASP 48 Ca 0.33 -1.84 -0.08 0.00 -0.52 0.00 0.00 52.55 50.43 1lqg s ASP 48 Cb -0.10 -1.45 0.36 0.00 -1.46 0.00 0.00 42.92 40.26 1lqg s ASP 48 CO 0.26 -0.34 1.68 1.05 0.52 0.00 0.00 175.17 178.34 1lqg h GLU 49 N 7.75 0.20 0.00 4.34 4.11 -1.97 -1.37 114.58 127.63 1lqg h GLU 49 Ca -0.10 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.32 1lqg h GLU 49 Cb 1.03 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1lqg h GLU 49 CO 0.49 0.13 0.00 -1.13 0.07 0.00 0.00 179.01 178.57 1lqg n SER 50 N -5.20 0.00 0.00 3.06 3.41 -1.26 -3.62 113.62 110.01 1lqg n SER 50 Ca 0.11 0.38 0.03 0.00 -0.26 0.00 0.00 58.87 59.13 1lqg n SER 50 Cb 0.39 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.49 1lqg n SER 50 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1lqg n THR 51 N -0.41 0.82 -3.69 6.66 -2.24 -1.25 -4.83 114.28 109.34 1lqg n THR 51 Ca 0.00 0.21 -0.24 0.00 -2.27 0.00 0.00 64.05 61.75 1lqg n THR 51 Cb 0.00 -1.11 0.03 0.00 -2.10 0.00 0.00 70.33 67.16 1lqg n THR 51 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1lqg n ASP 52 N -1.26 -2.62 -4.40 3.42 -0.08 -0.53 -4.76 116.55 106.33 1lqg n ASP 52 Ca 0.03 -0.89 -0.30 0.00 -1.51 0.00 0.00 54.79 52.12 1lqg n ASP 52 Cb 0.05 -3.84 -0.13 0.00 2.34 0.00 0.00 41.12 39.53 1lqg n ASP 52 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1lqg s GLU 53 N -5.91 1.68 -0.32 -0.67 2.12 -1.16 -3.27 118.70 111.16 1lqg s GLU 53 Ca 0.17 -1.19 0.00 0.00 0.36 0.00 0.00 54.97 54.30 1lqg s GLU 53 Cb -0.05 -2.00 0.07 0.00 0.26 0.00 0.00 34.13 32.42 1lqg s GLU 53 CO 0.83 0.49 0.03 -0.80 -0.54 0.00 0.00 175.26 175.26 1lqg s ASN 54 N -1.71 4.85 -0.36 -1.70 0.01 -0.59 -1.54 114.94 113.90 1lqg s ASN 54 Ca 0.14 -1.62 -0.18 0.00 -0.71 0.00 0.00 52.86 50.50 1lqg s ASN 54 Cb -0.10 -1.69 0.00 0.00 0.41 0.00 0.00 41.25 39.87 1lqg s ASN 54 CO 0.05 -0.32 0.48 -0.69 -1.51 0.00 0.00 177.10 175.11 1lqg s VAL 55 N 1.13 5.04 -0.12 1.60 1.01 -0.95 -1.50 120.40 126.62 1lqg s VAL 55 Ca -0.00 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 1lqg s VAL 55 Cb -0.20 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 1lqg s VAL 55 CO -0.04 -0.25 -0.06 -0.04 0.00 0.00 0.00 175.10 174.71 1lqg s MET 56 N 2.32 3.27 -0.27 2.72 -1.94 0.34 -2.18 119.30 123.56 1lqg s MET 56 Ca 0.17 -0.55 0.02 0.00 -1.71 0.00 0.00 55.69 53.61 1lqg s MET 56 Cb -0.16 -2.75 0.06 0.00 2.01 0.00 0.00 34.83 33.99 1lqg s MET 56 CO 0.13 0.41 -0.08 -1.17 -0.01 0.00 0.00 175.02 174.30 1lqg s LEU 57 N -0.11 3.56 -0.09 -0.03 0.20 -0.33 -1.13 118.68 120.76 1lqg s LEU 57 Ca 0.01 -1.35 -0.19 0.00 0.69 0.00 0.00 54.13 53.30 1lqg s LEU 57 Cb -0.13 -1.60 -0.04 0.00 -0.43 0.00 0.00 46.19 43.99 1lqg s LEU 57 CO 0.03 -0.21 0.51 -0.76 -0.29 0.00 0.00 176.35 175.63 1lqg s LEU 58 N 1.15 4.32 0.11 -0.68 1.43 -0.54 -1.28 118.68 123.19 1lqg s LEU 58 Ca -0.08 0.91 -0.02 0.00 -1.03 0.00 0.00 54.13 53.91 1lqg s LEU 58 Cb -0.20 -2.75 -0.03 0.00 0.03 0.00 0.00 46.19 43.24 1lqg s LEU 58 CO -0.04 0.04 0.07 0.42 0.23 0.00 0.00 176.35 177.06 1lqg s THR 59 N 0.36 0.14 0.67 5.49 -4.23 -0.66 -1.20 115.64 116.21 1lqg s THR 59 Ca 0.28 -1.77 -0.14 0.00 -1.18 0.00 0.00 61.69 58.88 1lqg s THR 59 Cb -0.16 -1.82 0.01 0.00 1.34 0.00 0.00 72.50 71.87 1lqg s THR 59 CO 0.12 -0.61 1.10 -0.94 -0.54 0.00 0.00 174.62 173.75 1lqg s SER 60 N -2.99 5.10 1.09 3.99 1.04 -0.34 0.57 113.70 122.16 1lqg s SER 60 Ca 0.17 1.93 -0.17 0.00 0.48 0.00 0.00 55.95 58.36 1lqg s SER 60 Cb 0.07 -2.54 0.12 0.00 0.10 0.00 0.00 66.02 63.76 1lqg s SER 60 CO -0.03 -1.64 0.22 -0.67 0.98 0.00 0.00 173.24 172.10 1lqg n ASP 61 N -2.59 -2.20 -4.72 7.02 2.03 -1.23 -3.28 116.55 111.58 1lqg n ASP 61 Ca 0.10 -0.03 -0.33 0.00 0.52 0.00 0.00 54.79 55.05 1lqg n ASP 61 Cb 0.52 -1.05 0.11 0.00 -0.72 0.00 0.00 41.12 39.98 1lqg n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1lqg s ALA 62 N -2.29 2.02 -1.72 -1.67 0.00 -1.26 -2.81 121.76 114.03 1lqg s ALA 62 Ca 0.58 0.65 0.21 0.00 0.00 0.00 0.00 51.96 53.39 1lqg s ALA 62 Cb -0.15 -3.41 0.62 0.00 0.00 0.00 0.00 23.12 20.18 1lqg s ALA 62 CO 0.66 -2.01 1.52 -0.35 0.00 0.00 0.00 175.76 175.58 1lqg n PRO 63 N -3.22 2.89 0.04 0.00 -0.04 -1.26 -4.85 135.00 128.55 1lqg n PRO 63 Ca 0.12 -2.63 -0.15 0.00 -0.04 0.00 0.00 63.50 60.80 1lqg n PRO 63 Cb 0.51 -1.58 -0.14 0.00 -0.04 0.00 0.00 33.50 32.26 1lqg n PRO 63 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1lqg h GLU 64 N 3.98 0.18 -6.68 0.54 5.08 -1.86 -3.48 114.58 112.35 1lqg h GLU 64 Ca 0.00 -0.30 -0.54 0.00 -1.00 0.00 0.00 59.36 57.52 1lqg h GLU 64 Cb 1.03 0.11 -0.16 0.00 0.50 0.00 0.00 28.75 30.23 1lqg h GLU 64 CO 0.03 0.99 -0.85 0.66 -1.00 0.00 0.00 179.01 178.84 1lqg n TYR 65 N -3.36 -1.71 -2.22 4.33 4.01 -1.12 -4.87 117.16 112.21 1lqg n TYR 65 Ca -0.17 0.78 -0.42 0.00 -0.16 0.00 0.00 57.90 57.93 1lqg n TYR 65 Cb 1.04 -3.20 -0.03 0.00 -0.31 0.00 0.00 39.34 36.84 1lqg n TYR 65 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1lqg s LYS 66 N -6.84 4.28 0.20 -0.72 2.20 -1.26 -4.55 119.74 113.06 1lqg s LYS 66 Ca 0.49 1.96 -0.32 0.00 -0.36 0.00 0.00 55.97 57.74 1lqg s LYS 66 Cb -0.27 -3.60 -0.14 0.00 -1.51 0.00 0.00 37.83 32.31 1lqg s LYS 66 CO 0.92 -0.59 1.35 -2.30 -0.36 0.00 0.00 175.35 174.36 1lqg n PRO 67 N 5.51 1.73 0.03 4.03 -0.02 -1.26 -1.19 135.00 143.83 1lqg n PRO 67 Ca 0.13 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1lqg n PRO 67 Cb 0.44 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1lqg n PRO 67 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1lqg n TRP 68 N 1.96 -0.19 -3.99 6.00 -0.00 -0.34 -4.83 117.44 116.06 1lqg n TRP 68 Ca 0.14 0.03 -0.09 0.00 -0.00 0.00 0.00 57.50 57.57 1lqg n TRP 68 Cb 0.28 0.08 -0.08 0.00 -0.00 0.00 0.00 31.31 31.60 1lqg n TRP 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1lqg s ALA 69 N -2.00 0.15 -0.04 5.87 0.00 -1.14 -0.72 121.76 123.87 1lqg s ALA 69 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.99 1lqg s ALA 69 Cb 0.00 0.81 0.03 0.00 0.00 0.00 0.00 23.12 23.96 1lqg s ALA 69 CO 0.00 -0.60 -0.01 -1.17 0.00 0.00 0.00 175.76 173.98 1lqg s LEU 70 N -2.97 1.08 -0.04 0.00 2.96 0.05 -1.46 118.68 118.29 1lqg s LEU 70 Ca 0.17 -0.06 0.03 0.00 -0.22 0.00 0.00 54.13 54.05 1lqg s LEU 70 Cb 0.04 -0.32 0.01 0.00 0.50 0.00 0.00 46.19 46.42 1lqg s LEU 70 CO -0.01 -0.11 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.10 1lqg s VAL 71 N 1.19 1.04 -0.04 1.68 1.01 -0.28 -1.54 120.40 123.45 1lqg s VAL 71 Ca -0.07 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.48 1lqg s VAL 71 Cb -0.13 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 1lqg s VAL 71 CO -0.02 0.32 -0.18 -0.63 0.00 0.00 0.00 175.10 174.60 1lqg s ILE 72 N 0.34 2.78 -0.04 2.22 -1.09 -0.57 -0.50 121.20 124.33 1lqg s ILE 72 Ca -0.07 -0.83 0.02 0.00 -2.23 0.00 0.00 60.65 57.54 1lqg s ILE 72 Cb -0.12 -2.06 0.01 0.00 -1.58 0.00 0.00 42.46 38.71 1lqg s ILE 72 CO 0.02 0.59 -0.08 -1.58 -1.23 0.00 0.00 174.94 172.66 1lqg s GLN 73 N -0.69 1.07 0.00 2.79 0.74 -0.57 -0.11 119.66 122.90 1lqg s GLN 73 Ca 0.11 -0.26 0.00 0.00 0.05 0.00 0.00 55.36 55.26 1lqg s GLN 73 Cb -0.10 -0.98 0.00 0.00 1.10 0.00 0.00 33.01 33.02 1lqg s GLN 73 CO 0.00 0.03 0.00 -0.40 -0.55 0.00 0.00 175.29 174.37 1lqg n ASP 74 N 3.67 0.00 -0.11 6.67 5.68 -1.03 -1.54 116.55 129.88 1lqg n ASP 74 Ca -0.22 -0.57 0.01 0.00 -0.50 0.00 0.00 54.79 53.50 1lqg n ASP 74 Cb 0.52 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.79 1lqg n ASP 74 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1lqg h SER 75 N 0.00 0.69 -0.60 -1.12 0.02 -1.85 -2.93 113.55 107.77 1lqg h SER 75 Ca 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1lqg h SER 75 Cb 0.00 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.36 1lqg h SER 75 CO 0.00 0.57 0.00 -0.46 -1.14 0.00 0.00 176.83 175.80 1lqg n ASN 76 N -4.38 4.05 0.00 3.07 6.94 -1.26 -4.98 115.26 118.70 1lqg n ASN 76 Ca 0.05 -2.22 0.00 0.00 -0.02 0.00 0.00 54.58 52.39 1lqg n ASN 76 Cb 0.11 -0.47 0.00 0.00 -2.36 0.00 0.00 39.78 37.06 1lqg n ASN 76 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1lqg n GLY 77 N 1.11 0.82 3.71 4.83 0.00 -1.11 -5.06 105.19 109.50 1lqg n GLY 77 Ca 0.22 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1lqg n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lqg s GLU 78 N -0.67 4.54 -0.00 1.61 2.02 -1.26 -4.84 118.70 120.10 1lqg s GLU 78 Ca 0.00 1.51 -0.07 0.00 0.02 0.00 0.00 54.97 56.43 1lqg s GLU 78 Cb 0.00 -3.42 -0.05 0.00 0.10 0.00 0.00 34.13 30.76 1lqg s GLU 78 CO 0.00 -0.07 0.27 -0.80 0.02 0.00 0.00 175.26 174.68 1lqg s ASN 79 N 0.91 6.52 -0.32 -0.19 0.01 -1.26 -2.46 114.94 118.14 1lqg s ASN 79 Ca 0.53 0.60 0.02 0.00 -0.71 0.00 0.00 52.86 53.30 1lqg s ASN 79 Cb -0.23 -2.11 0.10 0.00 0.41 0.00 0.00 41.25 39.42 1lqg s ASN 79 CO 0.29 0.27 0.05 -0.54 -1.51 0.00 0.00 177.10 175.66 1lqg s LYS 80 N -1.62 1.29 0.05 -0.60 3.01 0.84 -4.96 119.74 117.75 1lqg s LYS 80 Ca 0.26 -1.59 -0.04 0.00 -1.01 0.00 0.00 55.97 53.59 1lqg s LYS 80 Cb -0.13 -2.82 -0.05 0.00 -1.01 0.00 0.00 37.83 33.82 1lqg s LYS 80 CO 0.14 -0.93 0.27 0.42 0.51 0.00 0.00 175.35 175.77 1lqg s ILE 81 N 1.13 5.31 -0.15 2.17 1.01 -1.26 -1.52 121.20 127.89 1lqg s ILE 81 Ca 0.09 -0.03 -0.07 0.00 0.00 0.00 0.00 60.65 60.65 1lqg s ILE 81 Cb -0.19 -3.59 0.07 0.00 0.01 0.00 0.00 42.46 38.76 1lqg s ILE 81 CO -0.13 0.23 0.34 -0.75 0.00 0.00 0.00 174.94 174.63 1lqg s LYS 82 N -2.16 0.27 0.43 2.79 2.36 -0.59 -5.03 119.74 117.81 1lqg s LYS 82 Ca 0.32 0.80 -0.20 0.00 -2.55 0.00 0.00 55.97 54.34 1lqg s LYS 82 Cb -0.13 0.05 -0.11 0.00 -1.05 0.00 0.00 37.83 36.60 1lqg s LYS 82 CO 0.21 -0.22 0.94 -1.64 1.55 0.00 0.00 175.35 176.19 1lqg s MET 83 N 1.99 4.20 0.00 4.03 -1.94 -1.26 -0.77 119.30 125.55 1lqg s MET 83 Ca -0.04 1.08 0.14 0.00 -1.71 0.00 0.00 55.69 55.16 1lqg s MET 83 Cb -0.11 -2.19 0.11 0.00 2.01 0.00 0.00 34.83 34.65 1lqg s MET 83 CO -0.11 -0.03 0.94 1.28 -0.01 0.00 0.00 175.02 177.09