#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lxj n LYS 3 N 0.00 1.50 -1.82 -0.52 5.02 -1.26 -1.72 118.16 119.36 1lxj n LYS 3 Ca 0.00 -1.95 -0.40 0.00 -2.02 0.00 0.00 58.31 53.94 1lxj n LYS 3 Cb 0.00 -1.17 0.02 0.00 -0.02 0.00 0.00 35.03 33.85 1lxj n LYS 3 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1lxj s ILE 4 N -1.82 2.11 0.42 -0.18 1.10 -1.26 -4.08 121.20 117.48 1lxj s ILE 4 Ca 0.17 0.10 -0.25 0.00 -0.51 0.00 0.00 60.65 60.16 1lxj s ILE 4 Cb 0.15 -3.06 -0.08 0.00 0.15 0.00 0.00 42.46 39.62 1lxj s ILE 4 CO 0.02 0.01 1.25 0.12 -2.11 0.00 0.00 174.94 174.23 1lxj s PHE 5 N -1.20 2.86 0.07 3.50 5.36 -1.26 -0.01 117.98 127.30 1lxj s PHE 5 Ca 0.61 1.47 -0.13 0.00 -0.96 0.00 0.00 56.93 57.91 1lxj s PHE 5 Cb -0.43 -3.56 0.02 0.00 -0.34 0.00 0.00 43.02 38.71 1lxj s PHE 5 CO 0.56 -1.84 0.31 0.00 -1.46 0.00 0.00 175.22 172.79 1lxj s LEU 7 N -2.41 2.31 -0.12 0.00 1.02 -1.07 -2.25 118.68 116.17 1lxj s LEU 7 Ca -0.01 -0.57 0.00 0.00 0.02 0.00 0.00 54.13 53.57 1lxj s LEU 7 Cb 0.01 -1.53 0.02 0.00 0.02 0.00 0.00 46.19 44.72 1lxj s LEU 7 CO -0.07 0.03 -0.10 0.00 0.02 0.00 0.00 176.35 176.23 1lxj s ALA 8 N 1.13 1.46 -0.30 4.21 0.00 0.80 -1.92 121.76 127.14 1lxj s ALA 8 Ca 0.01 -0.62 -0.11 0.00 0.00 0.00 0.00 51.96 51.23 1lxj s ALA 8 Cb -0.14 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 1lxj s ALA 8 CO -0.07 -0.35 0.20 0.34 0.00 0.00 0.00 175.76 175.88 1lxj s ASP 9 N 1.54 5.97 -0.08 0.00 2.15 0.82 0.32 116.67 127.39 1lxj s ASP 9 Ca 0.03 -0.17 0.02 0.00 0.43 0.00 0.00 52.55 52.86 1lxj s ASP 9 Cb -0.13 -2.11 -0.02 0.00 -0.30 0.00 0.00 42.92 40.36 1lxj s ASP 9 CO -0.08 -0.11 -0.14 0.54 -0.17 0.00 0.00 175.17 175.21 1lxj s VAL 10 N 1.74 3.06 0.27 1.11 0.11 0.69 -1.35 120.40 126.03 1lxj s VAL 10 Ca 0.07 -0.70 0.08 0.00 -2.93 0.00 0.00 61.98 58.50 1lxj s VAL 10 Cb -0.16 -2.23 -0.05 0.00 -1.53 0.00 0.00 36.38 32.40 1lxj s VAL 10 CO 0.10 0.57 -0.11 0.00 -3.33 0.00 0.00 175.10 172.33 1lxj n VAL 13 N -0.57 0.00 -3.43 0.00 0.24 -0.28 -0.69 118.33 113.60 1lxj n VAL 13 Ca -0.06 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.86 1lxj n VAL 13 Cb 0.62 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.93 1lxj n VAL 13 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1lxj s PRO 14 N -1.90 3.99 -0.10 7.34 0.04 -1.26 -0.95 135.00 142.15 1lxj s PRO 14 Ca 0.00 0.49 0.01 0.00 0.04 0.00 0.00 61.00 61.54 1lxj s PRO 14 Cb 0.00 -3.18 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 1lxj s PRO 14 CO 0.00 0.65 -0.12 0.42 0.04 0.00 0.00 177.00 177.99 1lxj s ILE 15 N -1.15 3.19 0.00 0.56 1.01 0.29 -4.62 121.20 120.49 1lxj s ILE 15 Ca 0.27 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1lxj s ILE 15 Cb -0.17 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 39.98 1lxj s ILE 15 CO 0.16 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.26 1lxj n GLY 16 N 3.06 0.83 3.89 6.18 0.00 -1.26 -3.85 105.19 114.04 1lxj n GLY 16 Ca -0.18 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 1lxj n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1lxj s THR 17 N -2.00 2.00 -1.95 2.61 -4.23 -1.26 -4.96 115.64 105.85 1lxj s THR 17 Ca 0.00 0.00 0.30 0.00 -1.18 0.00 0.00 61.69 60.81 1lxj s THR 17 Cb 0.00 -2.99 0.66 0.00 1.34 0.00 0.00 72.50 71.51 1lxj s THR 17 CO 0.00 0.00 1.99 -0.90 -0.54 0.00 0.00 174.62 175.17 1lxj n ASP 18 N -3.35 0.47 -3.95 3.99 5.75 -1.26 -4.88 116.55 113.32 1lxj n ASP 18 Ca 0.08 -0.91 -0.10 0.00 -0.01 0.00 0.00 54.79 53.86 1lxj n ASP 18 Cb 0.61 -0.04 -0.11 0.00 -1.03 0.00 0.00 41.12 40.55 1lxj n ASP 18 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1lxj s SER 19 N -2.20 0.19 0.51 -1.12 0.15 -1.26 -5.01 113.70 104.96 1lxj s SER 19 Ca 0.38 -0.42 0.30 0.00 0.70 0.00 0.00 55.95 56.92 1lxj s SER 19 Cb 0.21 0.12 1.17 0.00 -1.71 0.00 0.00 66.02 65.81 1lxj s SER 19 CO 0.40 -0.31 1.91 0.00 1.20 0.00 0.00 173.24 176.45 1lxj h ALA 20 N 4.60 1.01 -2.19 5.45 0.00 -2.02 -3.41 119.26 122.70 1lxj h ALA 20 Ca -0.32 -0.05 -0.57 0.00 0.00 0.00 0.00 54.91 53.98 1lxj h ALA 20 Cb 1.21 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 1lxj h ALA 20 CO 0.41 0.07 0.70 0.45 0.00 0.00 0.00 179.25 180.88 1lxj s SER 21 N -5.86 7.15 -0.07 0.00 0.15 -1.26 -4.91 113.70 108.89 1lxj s SER 21 Ca 0.01 1.52 0.11 0.00 0.70 0.00 0.00 55.95 58.29 1lxj s SER 21 Cb 0.09 -2.55 0.16 0.00 -1.71 0.00 0.00 66.02 62.01 1lxj s SER 21 CO 0.58 -0.57 1.05 2.30 1.20 0.00 0.00 173.24 177.80 1lxj n ILE 22 N 4.91 1.24 0.30 6.45 -5.35 -1.26 -4.78 119.36 120.87 1lxj n ILE 22 Ca 0.11 -1.45 0.17 0.00 -0.27 0.00 0.00 62.75 61.30 1lxj n ILE 22 Cb 0.47 0.11 0.93 0.00 -1.74 0.00 0.00 39.64 39.42 1lxj n ILE 22 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1lxj h SER 23 N 0.00 0.00 -0.34 7.28 4.64 -1.98 -1.60 113.55 121.54 1lxj h SER 23 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1lxj h SER 23 Cb 1.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 1lxj h SER 23 CO 0.00 0.03 -0.05 0.44 -0.87 0.00 0.00 176.83 176.38 1lxj h ASP 24 N 0.00 0.64 -0.27 4.97 3.32 -1.99 -0.68 116.42 122.40 1lxj h ASP 24 Ca -0.00 -0.35 -0.02 0.00 0.02 0.00 0.00 57.03 56.69 1lxj h ASP 24 Cb 0.12 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1lxj h ASP 24 CO 0.00 0.84 0.11 0.15 -1.72 0.00 0.00 179.24 178.62 1lxj h PHE 25 N 0.44 0.42 -0.32 4.55 3.57 -1.69 -0.63 116.94 123.28 1lxj h PHE 25 Ca 0.09 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1lxj h PHE 25 Cb 0.54 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1lxj h PHE 25 CO 0.05 0.42 0.20 0.28 -2.23 0.00 0.00 178.31 177.03 1lxj h VAL 26 N 0.29 1.10 -0.58 1.41 2.07 -1.30 -0.89 116.25 118.35 1lxj h VAL 26 Ca 0.09 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1lxj h VAL 26 Cb 0.18 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1lxj h VAL 26 CO -0.01 0.10 0.31 0.00 0.02 0.00 0.00 177.57 177.98 1lxj h ALA 27 N 1.09 0.74 -0.11 1.67 0.00 -1.04 0.20 119.26 121.83 1lxj h ALA 27 Ca 0.11 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1lxj h ALA 27 Cb -0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1lxj h ALA 27 CO -0.02 0.27 -0.08 1.25 0.00 0.00 0.00 179.25 180.67 1lxj h LEU 28 N 0.78 -0.26 -0.65 0.00 5.85 -0.75 -1.62 115.31 118.67 1lxj h LEU 28 Ca 0.20 0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.84 1lxj h LEU 28 Cb 0.07 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1lxj h LEU 28 CO -0.03 -0.11 -0.51 0.16 -0.34 0.00 0.00 178.44 177.61 1lxj h ILE 29 N -0.09 1.33 -0.71 4.05 3.07 -0.99 -2.98 117.51 121.20 1lxj h ILE 29 Ca 0.07 -1.74 -0.03 0.00 1.55 0.00 0.00 64.86 64.71 1lxj h ILE 29 Cb 0.20 1.76 -0.03 0.00 -0.27 0.00 0.00 36.82 38.47 1lxj h ILE 29 CO -0.16 0.53 0.32 -0.08 -1.05 0.00 0.00 178.15 177.71 1lxj h GLU 30 N 0.35 1.03 -0.63 0.16 4.57 -0.69 0.29 114.58 119.66 1lxj h GLU 30 Ca 0.01 -0.16 -0.03 0.00 -1.18 0.00 0.00 59.36 58.00 1lxj h GLU 30 Cb 1.01 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.39 1lxj h GLU 30 CO 0.09 0.83 0.27 0.87 -1.18 0.00 0.00 179.01 179.89 1lxj h LYS 31 N 0.99 0.91 -0.41 1.92 1.57 -1.26 -0.65 116.57 119.64 1lxj h LYS 31 Ca 0.24 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.77 1lxj h LYS 31 Cb 0.15 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1lxj h LYS 31 CO -0.03 0.73 -0.22 -0.22 -0.57 0.00 0.00 179.45 179.14 1lxj h LYS 32 N 0.90 0.82 -0.33 3.15 1.63 -1.22 -2.93 116.57 118.60 1lxj h LYS 32 Ca 0.22 -0.34 -0.11 0.00 -0.85 0.00 0.00 60.65 59.57 1lxj h LYS 32 Cb 0.14 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 1lxj h LYS 32 CO -0.02 0.96 -0.26 0.82 -3.45 0.00 0.00 179.45 177.50 1lxj h ILE 33 N 0.72 1.27 0.00 2.00 2.04 -0.29 -2.75 117.51 120.50 1lxj h ILE 33 Ca 0.10 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.60 1lxj h ILE 33 Cb 0.75 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1lxj h ILE 33 CO 0.06 0.44 0.00 0.54 0.00 0.00 0.00 178.15 179.19 1lxj n ARG 34 N -4.10 0.06 0.19 2.37 1.74 -0.31 -2.29 116.66 114.31 1lxj n ARG 34 Ca -0.00 0.23 0.09 0.00 -0.77 0.00 0.00 57.85 57.40 1lxj n ARG 34 Cb 0.44 -1.59 0.11 0.00 -1.02 0.00 0.00 32.46 30.40 1lxj n ARG 34 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1lxj h GLU 35 N 0.00 0.00 -7.07 5.56 5.08 -1.32 -3.45 114.58 113.38 1lxj h GLU 35 Ca 0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 1lxj h GLU 35 Cb 0.36 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.64 1lxj h GLU 35 CO 0.00 0.12 0.40 0.45 -1.00 0.00 0.00 179.01 178.98 1lxj s SER 36 N -6.18 6.25 0.08 1.42 0.15 -0.97 -4.94 113.70 109.52 1lxj s SER 36 Ca 0.05 1.98 0.26 0.00 0.70 0.00 0.00 55.95 58.94 1lxj s SER 36 Cb 0.06 -2.57 1.01 0.00 -1.71 0.00 0.00 66.02 62.82 1lxj s SER 36 CO 0.70 -0.84 1.81 -0.81 1.20 0.00 0.00 173.24 175.29 1lxj n PRO 37 N -0.97 0.09 -2.09 5.44 -0.04 -1.26 -4.83 135.00 131.35 1lxj n PRO 37 Ca 0.09 0.13 -0.39 0.00 -0.04 0.00 0.00 63.50 63.30 1lxj n PRO 37 Cb 0.52 -1.62 -0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1lxj n PRO 37 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1lxj s LEU 38 N -3.58 4.16 0.08 1.53 1.43 -1.26 -4.96 118.68 116.08 1lxj s LEU 38 Ca 0.11 2.58 -0.31 0.00 -1.03 0.00 0.00 54.13 55.48 1lxj s LEU 38 Cb 0.15 -3.99 -0.07 0.00 0.03 0.00 0.00 46.19 42.32 1lxj s LEU 38 CO 0.51 -0.89 1.30 -0.75 0.23 0.00 0.00 176.35 176.75 1lxj s LYS 39 N -2.35 4.37 0.02 1.70 2.47 -1.25 -4.92 119.74 119.78 1lxj s LYS 39 Ca 0.59 1.92 0.01 0.00 -1.56 0.00 0.00 55.97 56.93 1lxj s LYS 39 Cb -0.36 -3.33 -0.02 0.00 -1.46 0.00 0.00 37.83 32.67 1lxj s LYS 39 CO 0.46 -0.37 -0.04 -1.54 0.16 0.00 0.00 175.35 174.02 1lxj s SER 40 N 1.16 0.35 -0.08 1.43 1.04 -1.26 -1.52 113.70 114.82 1lxj s SER 40 Ca 0.62 -0.40 -0.01 0.00 0.48 0.00 0.00 55.95 56.64 1lxj s SER 40 Cb -0.33 0.06 0.03 0.00 0.10 0.00 0.00 66.02 65.88 1lxj s SER 40 CO 0.29 -0.21 -0.03 -0.89 0.98 0.00 0.00 173.24 173.39 1lxj s THR 41 N -1.11 0.61 0.04 2.02 2.01 0.20 -4.96 115.64 114.46 1lxj s THR 41 Ca -0.11 -0.04 -0.21 0.00 0.31 0.00 0.00 61.69 61.65 1lxj s THR 41 Cb -0.08 -0.71 -0.06 0.00 0.01 0.00 0.00 72.50 71.66 1lxj s THR 41 CO -0.00 0.29 0.61 -0.22 -0.69 0.00 0.00 174.62 174.61 1lxj s LEU 42 N 1.78 4.47 0.35 4.42 2.96 -1.26 -0.51 118.68 130.90 1lxj s LEU 42 Ca 0.03 1.25 0.07 0.00 -0.22 0.00 0.00 54.13 55.26 1lxj s LEU 42 Cb -0.13 -2.95 -0.03 0.00 0.50 0.00 0.00 46.19 43.58 1lxj s LEU 42 CO -0.06 0.17 0.25 -1.38 -1.32 0.00 0.00 176.35 174.02 1lxj s HIS 43 N -0.60 1.78 0.43 5.38 -3.43 -0.10 -5.00 115.29 113.75 1lxj s HIS 43 Ca 0.31 -1.61 0.13 0.00 -0.80 0.00 0.00 55.06 53.09 1lxj s HIS 43 Cb -0.19 -0.81 0.93 0.00 -1.43 0.00 0.00 32.58 31.07 1lxj s HIS 43 CO 0.19 -0.77 1.96 0.66 -2.00 0.00 0.00 174.74 174.78 1lxj h SER 44 N 2.03 0.04 -0.35 7.38 4.64 -2.03 -3.12 113.55 122.14 1lxj h SER 44 Ca -0.26 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 60.98 1lxj h SER 44 Cb 1.24 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 63.28 1lxj h SER 44 CO 0.40 0.24 0.02 0.00 -0.87 0.00 0.00 176.83 176.62 1lxj n ALA 45 N -2.50 3.49 0.00 5.18 0.00 -1.26 -5.06 120.51 120.35 1lxj n ALA 45 Ca -0.02 -2.47 0.00 0.00 0.00 0.00 0.00 53.44 50.95 1lxj n ALA 45 Cb 0.27 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1lxj n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lxj n GLY 46 N -0.56 0.16 2.94 0.00 0.00 -1.18 -4.54 105.19 102.00 1lxj n GLY 46 Ca 0.27 -1.65 -0.19 0.00 0.00 0.00 0.00 46.02 44.44 1lxj n GLY 46 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lxj s THR 47 N -2.45 0.57 -0.23 2.61 2.01 0.14 -0.93 115.64 117.37 1lxj s THR 47 Ca 0.00 -0.21 -0.13 0.00 0.31 0.00 0.00 61.69 61.66 1lxj s THR 47 Cb 0.00 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 1lxj s THR 47 CO 0.00 0.21 0.28 -0.89 -0.69 0.00 0.00 174.62 173.52 1lxj s THR 48 N 0.49 5.28 -0.04 -0.82 2.01 0.33 -0.22 115.64 122.67 1lxj s THR 48 Ca -0.07 0.43 0.06 0.00 0.31 0.00 0.00 61.69 62.42 1lxj s THR 48 Cb -0.10 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 1lxj s THR 48 CO 0.00 0.29 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.38 1lxj s ILE 49 N 1.23 2.47 0.12 1.82 1.01 0.15 -0.63 121.20 127.37 1lxj s ILE 49 Ca 0.13 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 59.89 1lxj s ILE 49 Cb -0.14 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 1lxj s ILE 49 CO 0.06 0.58 -0.13 -1.83 0.00 0.00 0.00 174.94 173.62 1lxj s GLU 50 N -0.58 1.00 0.00 2.79 -1.05 -0.57 -0.14 118.70 120.14 1lxj s GLU 50 Ca 0.08 -1.23 0.00 0.00 -0.15 0.00 0.00 54.97 53.67 1lxj s GLU 50 Cb -0.11 -0.84 0.00 0.00 -0.44 0.00 0.00 34.13 32.74 1lxj s GLU 50 CO 0.00 0.16 0.00 0.41 0.95 0.00 0.00 175.26 176.78 1lxj n GLY 51 N 0.52 0.69 3.72 -3.83 0.00 -0.95 -3.82 105.19 101.52 1lxj n GLY 51 Ca -0.15 -1.84 -0.39 0.00 0.00 0.00 0.00 46.02 43.64 1lxj n GLY 51 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1lxj n PRO 52 N -0.33 1.60 -0.08 1.61 -0.02 -1.26 -1.33 135.00 135.18 1lxj n PRO 52 Ca 0.00 0.59 -0.08 0.00 -2.02 0.00 0.00 63.50 61.99 1lxj n PRO 52 Cb 0.00 -2.50 -0.02 0.00 -0.02 0.00 0.00 33.50 30.97 1lxj n PRO 52 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1lxj h TRP 53 N 1.36 -0.80 -0.80 6.00 2.91 -0.58 -1.32 115.95 122.73 1lxj h TRP 53 Ca -0.50 0.05 0.03 0.00 1.13 0.00 0.00 58.89 59.59 1lxj h TRP 53 Cb 1.31 0.40 -0.04 0.00 -0.51 0.00 0.00 29.16 30.32 1lxj h TRP 53 CO 0.44 -0.36 0.53 0.38 -1.03 0.00 0.00 178.44 178.40 1lxj h ASP 54 N -0.26 0.87 -0.16 2.65 2.03 -1.63 -2.68 116.42 117.24 1lxj h ASP 54 Ca 0.16 -0.01 -0.20 0.00 -0.73 0.00 0.00 57.03 56.24 1lxj h ASP 54 Cb 0.51 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 1lxj h ASP 54 CO -0.47 0.61 -0.66 0.44 -1.03 0.00 0.00 179.24 178.12 1lxj h ASP 55 N 1.01 0.89 0.00 4.15 3.32 -1.74 0.09 116.42 124.15 1lxj h ASP 55 Ca 0.31 -0.53 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1lxj h ASP 55 Cb -0.01 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.28 1lxj h ASP 55 CO -0.08 1.32 0.00 0.52 -1.72 0.00 0.00 179.24 179.28 1lxj n VAL 56 N -3.96 0.00 0.00 -1.35 0.31 -0.55 -1.42 118.33 111.37 1lxj n VAL 56 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1lxj n VAL 56 Cb 0.68 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 1lxj n VAL 56 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1lxj n GLY 58 N 0.18 0.00 0.21 2.92 0.00 0.02 -2.00 105.19 106.52 1lxj n GLY 58 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1lxj n GLY 58 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1lxj h LEU 59 N 0.00 0.61 -0.81 0.99 5.85 -1.47 -1.06 115.31 119.42 1lxj h LEU 59 Ca 0.00 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1lxj h LEU 59 Cb 0.00 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1lxj h LEU 59 CO 0.00 0.59 0.54 0.40 -0.34 0.00 0.00 178.44 179.63 1lxj h ILE 60 N 0.58 1.21 -0.80 4.05 2.04 -1.68 0.26 117.51 123.17 1lxj h ILE 60 Ca 0.15 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 1lxj h ILE 60 Cb 0.17 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.23 1lxj h ILE 60 CO -0.01 0.20 0.35 1.23 0.00 0.00 0.00 178.15 179.92 1lxj h GLY 61 N 1.10 1.26 1.62 5.37 0.00 -1.76 -1.97 103.07 108.69 1lxj h GLY 61 Ca 0.30 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 1lxj h GLY 61 CO -0.06 0.62 -0.13 0.83 0.00 0.00 0.00 176.54 177.79 1lxj h GLU 62 N 1.16 0.45 -0.62 4.80 5.08 -0.22 -1.84 114.58 123.40 1lxj h GLU 62 Ca 0.27 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 1lxj h GLU 62 Cb 0.16 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1lxj h GLU 62 CO -0.03 0.59 0.04 0.82 -1.00 0.00 0.00 179.01 179.42 1lxj h ILE 63 N 0.42 1.26 0.24 3.13 1.08 -0.39 0.14 117.51 123.39 1lxj h ILE 63 Ca 0.08 -1.10 -0.01 0.00 -0.39 0.00 0.00 64.86 63.43 1lxj h ILE 63 Cb 0.49 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 34.99 1lxj h ILE 63 CO 0.03 0.40 -0.11 0.45 -0.69 0.00 0.00 178.15 178.23 1lxj h HIS 64 N 0.97 -0.29 -0.85 1.37 3.86 -0.89 0.78 115.15 120.10 1lxj h HIS 64 Ca 0.18 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.44 1lxj h HIS 64 Cb 0.51 0.10 -0.05 0.00 1.06 0.00 0.00 27.41 29.03 1lxj h HIS 64 CO 0.04 -0.12 0.56 0.93 0.86 0.00 0.00 177.93 180.19 1lxj h GLU 65 N -0.40 0.96 -0.49 2.45 5.08 -1.15 -0.95 114.58 120.08 1lxj h GLU 65 Ca -0.03 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1lxj h GLU 65 Cb 0.30 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1lxj h GLU 65 CO 0.05 0.64 0.19 -0.92 -1.00 0.00 0.00 179.01 177.97 1lxj h TYR 66 N 0.99 0.76 -0.44 4.33 3.20 -0.35 0.09 116.97 125.55 1lxj h TYR 66 Ca 0.36 -0.06 0.02 0.00 3.14 0.00 0.00 58.73 62.18 1lxj h TYR 66 Cb 0.14 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 1lxj h TYR 66 CO -0.00 0.65 0.25 0.78 -1.64 0.00 0.00 178.16 178.20 1lxj h GLY 67 N 0.66 0.61 1.53 1.82 0.00 0.40 -0.93 103.07 107.16 1lxj h GLY 67 Ca 0.16 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 1lxj h GLY 67 CO -0.01 0.16 -0.06 0.45 0.00 0.00 0.00 176.54 177.08 1lxj h HIS 68 N 0.51 0.61 -0.02 5.60 3.86 -0.93 -1.74 115.15 123.03 1lxj h HIS 68 Ca 0.18 -0.08 -0.07 0.00 -1.16 0.00 0.00 60.37 59.24 1lxj h HIS 68 Cb 0.03 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 1lxj h HIS 68 CO -0.08 0.62 -0.31 1.49 0.86 0.00 0.00 177.93 180.51 1lxj h GLU 69 N 0.54 0.03 -0.21 2.45 4.81 -0.34 -2.33 114.58 119.53 1lxj h GLU 69 Ca 0.11 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1lxj h GLU 69 Cb 0.43 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1lxj h GLU 69 CO 0.02 0.34 0.00 1.63 -0.73 0.00 0.00 179.01 180.27 1lxj n LYS 70 N -4.16 1.52 0.00 1.92 4.76 -0.41 -4.90 118.16 116.89 1lxj n LYS 70 Ca -0.02 -0.80 0.00 0.00 -2.87 0.00 0.00 58.31 54.62 1lxj n LYS 70 Cb 0.36 -1.21 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 1lxj n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1lxj n GLY 71 N 0.89 1.68 3.69 0.72 0.00 -0.88 -5.06 105.19 106.24 1lxj n GLY 71 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1lxj n GLY 71 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lxj s TYR 72 N -2.37 3.03 0.01 1.61 1.51 -0.73 -4.92 117.35 115.48 1lxj s TYR 72 Ca 0.00 0.96 0.10 0.00 -1.01 0.00 0.00 57.07 57.13 1lxj s TYR 72 Cb 0.00 -3.59 -0.12 0.00 -0.11 0.00 0.00 41.96 38.14 1lxj s TYR 72 CO 0.00 -2.09 1.27 0.28 -1.11 0.00 0.00 175.55 173.90 1lxj h VAL 73 N 4.81 1.33 -2.99 0.71 2.07 -1.87 -3.32 116.25 117.00 1lxj h VAL 73 Ca -0.38 -2.93 -0.18 0.00 0.82 0.00 0.00 66.70 64.03 1lxj h VAL 73 Cb 1.18 2.65 -0.29 0.00 -1.52 0.00 0.00 31.29 33.32 1lxj h VAL 73 CO 0.88 0.76 -0.45 -0.60 0.02 0.00 0.00 177.57 178.19 1lxj s ARG 74 N -2.79 0.25 -0.06 1.57 3.52 -1.25 -5.04 118.95 115.14 1lxj s ARG 74 Ca 0.01 0.53 0.05 0.00 -0.13 0.00 0.00 55.73 56.20 1lxj s ARG 74 Cb 0.09 -0.06 -0.01 0.00 -1.56 0.00 0.00 34.95 33.42 1lxj s ARG 74 CO 0.80 -0.14 -0.22 0.08 -0.81 0.00 0.00 175.30 175.00 1lxj s VAL 75 N 1.07 1.87 -0.13 7.11 1.01 -1.26 -0.54 120.40 129.52 1lxj s VAL 75 Ca -0.08 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 60.97 1lxj s VAL 75 Cb -0.09 -1.59 -0.00 0.00 0.00 0.00 0.00 36.38 34.70 1lxj s VAL 75 CO -0.07 0.52 -0.19 -2.28 0.00 0.00 0.00 175.10 173.08 1lxj s HIS 76 N -0.01 2.71 0.00 5.22 2.46 -0.12 -4.97 115.29 120.59 1lxj s HIS 76 Ca -0.06 -1.05 0.04 0.00 0.47 0.00 0.00 55.06 54.45 1lxj s HIS 76 Cb -0.14 -1.82 -0.01 0.00 -0.13 0.00 0.00 32.58 30.48 1lxj s HIS 76 CO 0.04 -0.45 -0.13 0.99 -2.47 0.00 0.00 174.74 172.72 1lxj s THR 77 N 0.63 0.99 -0.14 0.89 2.01 -1.26 -1.13 115.64 117.63 1lxj s THR 77 Ca -0.10 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.25 1lxj s THR 77 Cb -0.16 -0.85 -0.00 0.00 0.01 0.00 0.00 72.50 71.49 1lxj s THR 77 CO 0.03 0.19 -0.16 -0.62 -0.69 0.00 0.00 174.62 173.36 1lxj s ASP 78 N -0.53 3.65 -0.09 3.53 3.68 0.14 -4.98 116.67 122.07 1lxj s ASP 78 Ca 0.04 -0.45 0.03 0.00 2.13 0.00 0.00 52.55 54.30 1lxj s ASP 78 Cb -0.06 -1.55 0.01 0.00 -1.45 0.00 0.00 42.92 39.87 1lxj s ASP 78 CO -0.00 0.12 -0.18 -0.63 0.13 0.00 0.00 175.17 174.61 1lxj s ILE 79 N 0.60 1.61 -0.21 4.11 1.01 -1.26 -1.13 121.20 125.94 1lxj s ILE 79 Ca -0.09 -0.75 -0.04 0.00 0.00 0.00 0.00 60.65 59.77 1lxj s ILE 79 Cb -0.16 -1.43 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 1lxj s ILE 79 CO 0.03 0.46 -0.04 -0.13 0.00 0.00 0.00 174.94 175.26 1lxj s ARG 80 N 0.55 3.40 0.01 2.79 0.52 -0.45 -4.95 118.95 120.81 1lxj s ARG 80 Ca -0.16 -0.62 0.01 0.00 -0.52 0.00 0.00 55.73 54.45 1lxj s ARG 80 Cb -0.17 -3.00 -0.01 0.00 0.52 0.00 0.00 34.95 32.29 1lxj s ARG 80 CO 0.06 -0.16 -0.04 0.54 0.02 0.00 0.00 175.30 175.71 1lxj s VAL 81 N 1.39 0.32 0.03 3.52 0.11 -1.26 -0.13 120.40 124.38 1lxj s VAL 81 Ca 0.05 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.71 1lxj s VAL 81 Cb -0.14 -0.32 -0.02 0.00 -1.53 0.00 0.00 36.38 34.37 1lxj s VAL 81 CO -0.02 -0.05 -0.04 -0.83 -3.33 0.00 0.00 175.10 170.83 1lxj s GLY 82 N -0.47 0.30 0.06 6.54 0.00 -0.81 -4.99 107.32 107.94 1lxj s GLY 82 Ca -0.02 -0.64 0.03 0.00 0.00 0.00 0.00 44.72 44.09 1lxj s GLY 82 CO -0.00 -0.71 -0.10 -0.51 0.00 0.00 0.00 173.10 171.78 1lxj s THR 83 N -1.50 0.77 0.02 0.90 -4.23 -1.26 -2.58 115.64 107.75 1lxj s THR 83 Ca -0.14 -1.21 -0.20 0.00 -1.18 0.00 0.00 61.69 58.96 1lxj s THR 83 Cb -0.10 -0.83 0.04 0.00 1.34 0.00 0.00 72.50 72.95 1lxj s THR 83 CO -0.01 -0.35 0.46 0.00 -0.54 0.00 0.00 174.62 174.18 1lxj s ARG 84 N -1.75 0.92 0.00 3.99 1.70 -1.26 -5.07 118.95 117.49 1lxj s ARG 84 Ca -0.06 -0.22 0.12 0.00 -0.47 0.00 0.00 55.73 55.11 1lxj s ARG 84 Cb -0.09 0.42 0.02 0.00 -0.57 0.00 0.00 34.95 34.73 1lxj s ARG 84 CO 0.01 -0.31 0.76 0.25 -1.08 0.00 0.00 175.30 174.93 1lxj n THR 85 N 0.67 0.00 0.26 4.99 -2.24 -1.26 -4.60 114.28 112.10 1lxj n THR 85 Ca -0.19 -0.40 0.12 0.00 -2.27 0.00 0.00 64.05 61.30 1lxj n THR 85 Cb 0.59 1.17 0.12 0.00 -2.10 0.00 0.00 70.33 70.11 1lxj n THR 85 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1lxj h ASP 86 N 1.63 0.00 -4.30 3.42 2.03 -2.06 -3.48 116.42 113.65 1lxj h ASP 86 Ca 0.00 -0.03 0.17 0.00 -0.73 0.00 0.00 57.03 56.44 1lxj h ASP 86 Cb 0.44 0.00 -0.19 0.00 -0.83 0.00 0.00 39.33 38.75 1lxj h ASP 86 CO 0.00 0.02 0.66 -1.59 -1.03 0.00 0.00 179.24 177.30 1lxj s LYS 87 N -3.26 0.52 -0.19 4.15 -2.85 -1.26 -5.13 119.74 111.72 1lxj s LYS 87 Ca 0.04 -0.13 -0.15 0.00 -1.00 0.00 0.00 55.97 54.72 1lxj s LYS 87 Cb 0.09 0.24 -0.04 0.00 -2.06 0.00 0.00 37.83 36.06 1lxj s LYS 87 CO 0.72 -0.22 0.37 -1.58 0.10 0.00 0.00 175.35 174.75 1lxj s HIS 88 N -2.39 3.40 -0.06 1.78 5.65 -1.26 -4.86 115.29 117.55 1lxj s HIS 88 Ca 0.06 0.62 -0.02 0.00 0.25 0.00 0.00 55.06 55.97 1lxj s HIS 88 Cb -0.01 -2.48 0.04 0.00 -1.18 0.00 0.00 32.58 28.95 1lxj s HIS 88 CO -0.05 0.06 0.11 -1.14 -0.65 0.00 0.00 174.74 173.07 1lxj s GLN 89 N 1.05 -0.00 0.75 2.88 0.74 -1.26 -5.10 119.66 118.71 1lxj s GLN 89 Ca 0.19 0.41 -0.07 0.00 0.05 0.00 0.00 55.36 55.94 1lxj s GLN 89 Cb -0.14 -0.32 0.10 0.00 1.10 0.00 0.00 33.01 33.74 1lxj s GLN 89 CO 0.07 -0.27 1.06 0.95 -0.55 0.00 0.00 175.29 176.55 1lxj s THR 90 N 1.86 2.21 0.31 -0.34 -4.23 -1.26 -4.90 115.64 109.29 1lxj s THR 90 Ca -0.01 -0.29 0.01 0.00 -1.18 0.00 0.00 61.69 60.22 1lxj s THR 90 Cb -0.12 -2.92 0.17 0.00 1.34 0.00 0.00 72.50 70.97 1lxj s THR 90 CO -0.05 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 175.90 1lxj h ALA 91 N -0.75 1.30 -0.32 3.99 0.00 -1.99 -1.71 119.26 119.79 1lxj h ALA 91 Ca -0.43 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.14 1lxj h ALA 91 Cb 1.29 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1lxj h ALA 91 CO 0.53 0.49 -0.42 0.37 0.00 0.00 0.00 179.25 180.22 1lxj h GLN 92 N 0.71 0.81 -0.89 0.00 5.75 -2.00 -2.55 115.11 116.94 1lxj h GLN 92 Ca 0.16 -0.43 -0.02 0.00 -0.15 0.00 0.00 58.65 58.20 1lxj h GLN 92 Cb 0.26 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.79 1lxj h GLN 92 CO -0.00 1.07 0.47 -0.44 -2.65 0.00 0.00 178.83 177.28 1lxj h ASP 93 N 0.65 1.12 -0.09 -0.69 3.32 -1.82 -0.98 116.42 117.94 1lxj h ASP 93 Ca 0.05 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1lxj h ASP 93 Cb 0.99 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 1lxj h ASP 93 CO 0.09 0.91 0.06 0.50 -1.72 0.00 0.00 179.24 179.08 1lxj h LYS 94 N 1.25 0.12 -0.02 3.56 3.64 -1.12 -1.78 116.57 122.22 1lxj h LYS 94 Ca 0.31 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.55 1lxj h LYS 94 Cb 0.05 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1lxj h LYS 94 CO -0.05 0.08 -0.59 0.97 -2.27 0.00 0.00 179.45 177.59 1lxj h ILE 95 N 0.12 1.41 -0.73 2.00 2.10 -1.30 -3.11 117.51 118.01 1lxj h ILE 95 Ca 0.03 -2.01 -0.05 0.00 1.08 0.00 0.00 64.86 63.91 1lxj h ILE 95 Cb -0.01 2.06 -0.03 0.00 -1.09 0.00 0.00 36.82 37.75 1lxj h ILE 95 CO -0.01 0.58 0.25 0.44 -1.08 0.00 0.00 178.15 178.33 1lxj h ASP 96 N 0.05 1.04 -0.40 2.19 3.32 -0.85 -1.09 116.42 120.67 1lxj h ASP 96 Ca -0.01 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 1lxj h ASP 96 Cb 1.06 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 1lxj h ASP 96 CO 0.08 0.96 0.14 0.58 -1.72 0.00 0.00 179.24 179.28 1lxj h VAL 97 N 1.06 1.21 0.22 -1.35 2.07 -1.28 -2.12 116.25 116.06 1lxj h VAL 97 Ca 0.24 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1lxj h VAL 97 Cb 0.27 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1lxj h VAL 97 CO -0.01 0.24 -0.11 0.58 0.02 0.00 0.00 177.57 178.29 1lxj h VAL 98 N 0.51 0.83 -0.69 2.57 2.07 -1.45 -1.95 116.25 118.14 1lxj h VAL 98 Ca 0.13 -0.27 0.11 0.00 0.82 0.00 0.00 66.70 67.49 1lxj h VAL 98 Cb 0.22 0.99 -0.08 0.00 -1.52 0.00 0.00 31.29 30.90 1lxj h VAL 98 CO -0.01 0.06 0.28 -0.07 0.02 0.00 0.00 177.57 177.86 1lxj h LEU 99 N -0.43 0.29 0.21 2.57 3.38 -1.17 0.79 115.31 120.95 1lxj h LEU 99 Ca -0.03 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1lxj h LEU 99 Cb 0.33 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1lxj h LEU 99 CO 0.05 0.15 -0.15 0.50 0.09 0.00 0.00 178.44 179.07 1lxj h LYS 100 N 0.46 -0.36 -0.21 1.13 3.64 -1.26 -2.57 116.57 117.40 1lxj h LYS 100 Ca 0.36 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.76 1lxj h LYS 100 Cb 0.48 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1lxj h LYS 100 CO -0.34 -0.24 0.10 0.87 -2.27 0.00 0.00 179.45 177.57 1lxj h LYS 101 N -0.37 0.28 -0.42 1.90 1.57 -0.54 -2.38 116.57 116.60 1lxj h LYS 101 Ca -0.01 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1lxj h LYS 101 Cb 0.33 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1lxj h LYS 101 CO -0.00 0.22 -0.10 0.82 -0.57 0.00 0.00 179.45 179.82 1lxj h ILE 102 N 0.28 1.25 -0.15 1.86 2.04 -0.50 -1.67 117.51 120.62 1lxj h ILE 102 Ca 0.07 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.80 1lxj h ILE 102 Cb 0.03 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1lxj h ILE 102 CO -0.01 0.39 0.00 -1.54 0.00 0.00 0.00 178.15 176.98 1lxj n SER 103 N -4.17 0.94 0.00 1.72 3.41 -0.91 -5.11 113.62 109.50 1lxj n SER 103 Ca 0.01 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 1lxj n SER 103 Cb 0.35 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1lxj n SER 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88