#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxv s GLU 5 N 0.00 2.61 0.02 0.00 2.12 -1.25 -4.71 118.70 117.50 1jxv s GLU 5 Ca 0.00 2.11 0.03 0.00 0.36 0.00 0.00 54.97 57.46 1jxv s GLU 5 Cb 0.00 -1.90 -0.02 0.00 0.26 0.00 0.00 34.13 32.48 1jxv s GLU 5 CO 0.00 -1.56 -0.09 1.03 -0.54 0.00 0.00 175.26 174.10 1jxv s ARG 6 N -3.31 0.62 0.13 4.30 0.52 -1.26 -0.23 118.95 119.72 1jxv s ARG 6 Ca 0.81 -0.55 0.05 0.00 -0.52 0.00 0.00 55.73 55.52 1jxv s ARG 6 Cb -0.38 -0.53 -0.04 0.00 0.52 0.00 0.00 34.95 34.51 1jxv s ARG 6 CO 0.41 0.13 -0.12 -0.08 0.02 0.00 0.00 175.30 175.66 1jxv s THR 7 N -0.78 1.25 -0.23 0.02 -1.32 -0.04 -4.76 115.64 109.78 1jxv s THR 7 Ca -0.02 -1.86 -0.10 0.00 -1.21 0.00 0.00 61.69 58.50 1jxv s THR 7 Cb -0.07 -1.65 -0.05 0.00 -1.51 0.00 0.00 72.50 69.23 1jxv s THR 7 CO 0.00 -0.56 0.15 0.12 -2.21 0.00 0.00 174.62 172.12 1jxv s PHE 8 N -2.64 3.32 -0.11 9.09 5.36 -1.26 -1.79 117.98 129.94 1jxv s PHE 8 Ca 0.12 0.21 0.02 0.00 -0.96 0.00 0.00 56.93 56.32 1jxv s PHE 8 Cb -0.02 -2.24 0.01 0.00 -0.34 0.00 0.00 43.02 40.43 1jxv s PHE 8 CO 0.02 0.09 -0.15 0.42 -1.46 0.00 0.00 175.22 174.14 1jxv s ILE 9 N 0.94 1.50 -0.15 3.12 1.09 -0.64 -1.62 121.20 125.44 1jxv s ILE 9 Ca 0.07 -0.64 -0.00 0.00 -1.10 0.00 0.00 60.65 58.98 1jxv s ILE 9 Cb -0.13 -1.37 -0.01 0.00 -1.06 0.00 0.00 42.46 39.89 1jxv s ILE 9 CO 0.03 0.44 -0.14 0.00 -0.10 0.00 0.00 174.94 175.18 1jxv s ALA 10 N 0.99 2.56 -0.24 9.38 0.00 -0.03 -0.27 121.76 134.15 1jxv s ALA 10 Ca -0.06 -1.01 -0.26 0.00 0.00 0.00 0.00 51.96 50.62 1jxv s ALA 10 Cb -0.15 -1.26 -0.00 0.00 0.00 0.00 0.00 23.12 21.71 1jxv s ALA 10 CO -0.02 0.01 0.88 0.42 0.00 0.00 0.00 175.76 177.05 1jxv s ILE 11 N 0.75 4.80 0.86 0.00 1.01 0.02 -0.12 121.20 128.52 1jxv s ILE 11 Ca -0.06 1.68 -0.12 0.00 0.00 0.00 0.00 60.65 62.16 1jxv s ILE 11 Cb -0.15 -4.17 0.11 0.00 0.01 0.00 0.00 42.46 38.26 1jxv s ILE 11 CO 0.01 -0.10 1.16 -0.54 0.00 0.00 0.00 174.94 175.47 1jxv s LYS 12 N 2.94 1.55 0.32 2.79 1.02 -0.27 -2.04 119.74 126.05 1jxv s LYS 12 Ca 0.37 0.21 0.09 0.00 0.02 0.00 0.00 55.97 56.66 1jxv s LYS 12 Cb -0.15 -1.89 0.84 0.00 -0.52 0.00 0.00 37.83 36.10 1jxv s LYS 12 CO 0.07 -1.90 1.77 -1.35 -0.92 0.00 0.00 175.35 173.01 1jxv h PRO 13 N -1.28 0.64 0.00 -1.68 0.11 -1.85 -1.12 132.00 126.81 1jxv h PRO 13 Ca -0.48 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.49 1jxv h PRO 13 Cb 1.33 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1jxv h PRO 13 CO 0.64 0.42 -0.47 0.38 -0.21 0.00 0.00 178.00 178.76 1jxv h ASP 14 N 0.66 0.00 -0.29 -2.05 2.03 -1.89 -0.46 116.42 114.41 1jxv h ASP 14 Ca 0.59 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.73 1jxv h ASP 14 Cb 1.07 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.56 1jxv h ASP 14 CO -0.39 0.47 -0.42 1.23 -1.03 0.00 0.00 179.24 179.11 1jxv h GLY 15 N 1.77 0.93 0.62 7.15 0.00 -1.36 -1.74 103.07 110.44 1jxv h GLY 15 Ca -0.00 -0.97 -0.00 0.00 0.00 0.00 0.00 47.33 46.36 1jxv h GLY 15 CO 0.06 0.87 -0.01 -2.08 0.00 0.00 0.00 176.54 175.38 1jxv h VAL 16 N 0.69 1.24 -0.90 4.60 2.07 -1.23 -1.60 116.25 121.12 1jxv h VAL 16 Ca 0.05 -0.88 0.17 0.00 0.82 0.00 0.00 66.70 66.86 1jxv h VAL 16 Cb 1.00 1.83 -0.07 0.00 -1.52 0.00 0.00 31.29 32.52 1jxv h VAL 16 CO 0.10 0.22 0.58 1.56 0.02 0.00 0.00 177.57 180.05 1jxv h GLN 17 N -0.43 0.57 -0.34 1.57 1.08 -1.10 -1.65 115.11 114.81 1jxv h GLN 17 Ca -0.00 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1jxv h GLN 17 Cb 0.40 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1jxv h GLN 17 CO 0.01 0.38 0.00 0.54 -0.95 0.00 0.00 178.83 178.80 1jxv n ARG 18 N -4.56 2.10 -2.84 1.46 1.74 -0.66 -4.95 116.66 108.95 1jxv n ARG 18 Ca 0.19 -1.67 -0.08 0.00 -0.77 0.00 0.00 57.85 55.51 1jxv n ARG 18 Cb 0.56 -1.43 0.03 0.00 -1.02 0.00 0.00 32.46 30.61 1jxv n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jxv n GLY 19 N 1.29 0.34 0.54 -0.13 0.00 -0.62 -4.95 105.19 101.67 1jxv n GLY 19 Ca 0.17 -0.31 0.05 0.00 0.00 0.00 0.00 46.02 45.93 1jxv n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jxv n LEU 20 N -2.19 2.66 -0.01 0.99 4.77 -0.62 -4.68 117.00 117.92 1jxv n LEU 20 Ca -0.02 -1.83 -0.12 0.00 -0.03 0.00 0.00 56.01 54.01 1jxv n LEU 20 Cb 0.53 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.37 1jxv n LEU 20 CO 0.24 0.65 0.77 0.58 -1.33 0.00 0.00 177.39 178.30 1jxv h VAL 21 N 1.83 1.20 -0.24 4.08 2.07 -1.89 -0.85 116.25 122.46 1jxv h VAL 21 Ca 0.00 -0.60 -0.12 0.00 0.82 0.00 0.00 66.70 66.80 1jxv h VAL 21 Cb 0.66 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1jxv h VAL 21 CO 0.00 0.17 -0.36 1.23 0.02 0.00 0.00 177.57 178.63 1jxv h GLY 22 N -0.12 0.57 0.89 2.17 0.00 -1.97 -2.03 103.07 102.58 1jxv h GLY 22 Ca 0.02 -0.53 0.02 0.00 0.00 0.00 0.00 47.33 46.83 1jxv h GLY 22 CO 0.00 0.48 0.18 -2.09 0.00 0.00 0.00 176.54 175.12 1jxv h GLU 23 N 0.44 0.36 -0.25 4.80 4.57 -1.82 -1.45 114.58 121.23 1jxv h GLU 23 Ca 0.05 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1jxv h GLU 23 Cb 0.83 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 1jxv h GLU 23 CO 0.07 0.24 -0.01 0.82 -1.18 0.00 0.00 179.01 178.95 1jxv h ILE 24 N 0.38 1.26 -0.47 2.32 2.04 -0.89 -2.90 117.51 119.24 1jxv h ILE 24 Ca 0.13 -0.95 -0.04 0.00 1.00 0.00 0.00 64.86 65.01 1jxv h ILE 24 Cb 0.02 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1jxv h ILE 24 CO -0.07 0.30 0.14 0.40 0.00 0.00 0.00 178.15 178.92 1jxv h ILE 25 N 0.22 1.19 -0.51 -0.67 2.04 -1.33 -1.96 117.51 116.50 1jxv h ILE 25 Ca 0.07 -0.66 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 1jxv h ILE 25 Cb 0.44 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1jxv h ILE 25 CO 0.02 0.25 0.20 0.50 0.00 0.00 0.00 178.15 179.12 1jxv h LYS 26 N 0.68 0.73 -0.54 2.37 3.64 -1.12 -1.46 116.57 120.87 1jxv h LYS 26 Ca 0.16 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 1jxv h LYS 26 Cb 0.21 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1jxv h LYS 26 CO -0.01 0.60 0.07 0.00 -2.27 0.00 0.00 179.45 177.84 1jxv h ARG 27 N 0.72 0.88 0.03 1.90 2.47 -1.16 0.21 114.38 119.44 1jxv h ARG 27 Ca 0.18 -0.22 -0.23 0.00 -1.26 0.00 0.00 59.98 58.45 1jxv h ARG 27 Cb 0.14 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.35 1jxv h ARG 27 CO -0.02 0.83 -1.00 0.74 0.56 0.00 0.00 179.97 181.09 1jxv h PHE 28 N 0.83 0.46 0.02 3.04 0.04 -1.34 -2.92 116.94 117.07 1jxv h PHE 28 Ca 0.17 -0.27 -0.00 0.00 2.80 0.00 0.00 57.97 60.67 1jxv h PHE 28 Cb 0.40 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.51 1jxv h PHE 28 CO 0.02 1.12 -0.01 0.93 -0.60 0.00 0.00 178.31 179.77 1jxv h GLU 29 N 0.14 -0.03 0.00 1.51 5.08 -0.97 -2.53 114.58 117.78 1jxv h GLU 29 Ca -0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1jxv h GLU 29 Cb 1.66 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.91 1jxv h GLU 29 CO 0.16 0.38 -0.06 -0.56 -1.00 0.00 0.00 179.01 177.93 1jxv h GLN 30 N -0.45 0.00 -0.04 2.33 3.07 -1.05 -1.67 115.11 117.30 1jxv h GLN 30 Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.58 1jxv h GLN 30 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.97 1jxv h GLN 30 CO 0.01 0.06 -0.68 -0.22 0.09 0.00 0.00 178.83 178.08 1jxv h LYS 31 N 0.00 0.17 0.00 0.06 1.63 -1.40 -3.47 116.57 113.56 1jxv h LYS 31 Ca -0.00 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 1jxv h LYS 31 Cb 0.32 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1jxv h LYS 31 CO 0.01 0.79 0.00 0.41 -3.45 0.00 0.00 179.45 177.20 1jxv n GLY 32 N 0.44 1.11 3.86 5.01 0.00 -0.63 -5.11 105.19 109.87 1jxv n GLY 32 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1jxv n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jxv s PHE 33 N -2.00 3.56 -0.19 1.61 0.08 -0.97 -5.00 117.98 115.07 1jxv s PHE 33 Ca 0.00 1.35 -0.04 0.00 0.12 0.00 0.00 56.93 58.36 1jxv s PHE 33 Cb 0.00 -2.74 -0.02 0.00 -0.57 0.00 0.00 43.02 39.69 1jxv s PHE 33 CO 0.00 -0.56 -0.02 0.50 -0.10 0.00 0.00 175.22 175.05 1jxv s ARG 34 N -4.73 3.58 -0.10 0.44 3.52 -0.56 -4.55 118.95 116.54 1jxv s ARG 34 Ca 0.56 -0.54 -0.30 0.00 -0.13 0.00 0.00 55.73 55.33 1jxv s ARG 34 Cb -0.11 -3.03 -0.03 0.00 -1.56 0.00 0.00 34.95 30.22 1jxv s ARG 34 CO 0.45 0.02 1.37 -1.17 -0.81 0.00 0.00 175.30 175.16 1jxv s LEU 35 N 0.96 4.24 -0.01 -0.88 2.96 -1.26 -0.88 118.68 123.82 1jxv s LEU 35 Ca 0.01 1.90 0.06 0.00 -0.22 0.00 0.00 54.13 55.88 1jxv s LEU 35 Cb -0.14 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.91 1jxv s LEU 35 CO 0.01 -0.78 0.15 0.55 -1.32 0.00 0.00 176.35 174.96 1jxv n VAL 36 N 5.22 0.00 -3.76 1.68 3.14 -0.08 -4.91 118.33 119.62 1jxv n VAL 36 Ca 0.14 -0.17 -0.13 0.00 -2.96 0.00 0.00 64.34 61.23 1jxv n VAL 36 Cb 0.44 0.44 -0.11 0.00 -1.06 0.00 0.00 33.84 33.55 1jxv n VAL 36 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1jxv s GLY 37 N -2.55 -0.22 -0.21 7.55 0.00 -0.93 -0.63 107.32 110.34 1jxv s GLY 37 Ca -0.02 0.89 -0.16 0.00 0.00 0.00 0.00 44.72 45.43 1jxv s GLY 37 CO 0.25 0.83 0.53 -2.27 0.00 0.00 0.00 173.10 172.44 1jxv s LEU 38 N 0.34 -0.20 -0.29 0.66 2.96 -1.26 -0.99 118.68 119.90 1jxv s LEU 38 Ca -0.02 1.10 -0.16 0.00 -0.22 0.00 0.00 54.13 54.84 1jxv s LEU 38 Cb -0.03 1.81 0.15 0.00 0.50 0.00 0.00 46.19 48.62 1jxv s LEU 38 CO -0.01 -0.20 0.98 -0.75 -1.32 0.00 0.00 176.35 175.05 1jxv s LYS 39 N 0.76 0.34 -0.21 1.98 2.20 -0.84 -5.01 119.74 118.96 1jxv s LYS 39 Ca -0.04 0.68 -0.03 0.00 -0.36 0.00 0.00 55.97 56.23 1jxv s LYS 39 Cb -0.05 0.21 -0.00 0.00 -1.51 0.00 0.00 37.83 36.48 1jxv s LYS 39 CO -0.06 -0.09 -0.07 0.12 -0.36 0.00 0.00 175.35 174.89 1jxv s PHE 40 N 1.74 2.92 0.18 4.03 5.36 -1.26 -0.25 117.98 130.70 1jxv s PHE 40 Ca -0.07 -1.02 -0.10 0.00 -0.96 0.00 0.00 56.93 54.78 1jxv s PHE 40 Cb -0.05 -2.06 -0.00 0.00 -0.34 0.00 0.00 43.02 40.57 1jxv s PHE 40 CO -0.16 -0.56 0.33 0.00 -1.46 0.00 0.00 175.22 173.37 1jxv s MET 41 N 1.37 1.22 -0.37 10.12 0.23 -0.63 -4.99 119.30 126.26 1jxv s MET 41 Ca 0.05 -1.15 -0.11 0.00 -1.03 0.00 0.00 55.69 53.45 1jxv s MET 41 Cb -0.14 0.40 0.02 0.00 -1.53 0.00 0.00 34.83 33.58 1jxv s MET 41 CO -0.04 -0.46 0.21 -1.14 -2.03 0.00 0.00 175.02 171.56 1jxv s GLN 42 N -3.96 2.94 0.17 3.16 0.74 -1.26 0.03 119.66 121.47 1jxv s GLN 42 Ca 0.17 -1.01 -0.31 0.00 0.05 0.00 0.00 55.36 54.26 1jxv s GLN 42 Cb 0.02 -3.74 -0.10 0.00 1.10 0.00 0.00 33.01 30.29 1jxv s GLN 42 CO 0.01 -0.66 1.54 0.00 -0.55 0.00 0.00 175.29 175.63 1jxv s ALA 43 N 1.58 3.75 0.55 1.58 0.00 -1.26 -4.99 121.76 122.98 1jxv s ALA 43 Ca 0.03 1.35 -0.18 0.00 0.00 0.00 0.00 51.96 53.15 1jxv s ALA 43 Cb -0.19 -3.61 -0.05 0.00 0.00 0.00 0.00 23.12 19.27 1jxv s ALA 43 CO 0.07 -0.76 1.10 -1.54 0.00 0.00 0.00 175.76 174.63 1jxv s SER 44 N 1.07 5.77 0.44 0.00 1.04 -1.26 -4.58 113.70 116.19 1jxv s SER 44 Ca 0.69 2.05 0.12 0.00 0.48 0.00 0.00 55.95 59.29 1jxv s SER 44 Cb -0.43 -2.57 1.02 0.00 0.10 0.00 0.00 66.02 64.14 1jxv s SER 44 CO 0.32 -1.18 2.02 -0.33 0.98 0.00 0.00 173.24 175.06 1jxv h GLU 45 N 1.00 0.39 0.21 4.02 5.08 -1.94 0.28 114.58 123.61 1jxv h GLU 45 Ca -0.49 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 1jxv h GLU 45 Cb 1.24 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1jxv h GLU 45 CO 0.57 0.26 -0.10 -0.44 -1.00 0.00 0.00 179.01 178.29 1jxv h ASP 46 N 0.40 -0.24 -0.79 1.42 3.32 -1.99 0.27 116.42 118.81 1jxv h ASP 46 Ca 0.21 -0.17 0.08 0.00 0.02 0.00 0.00 57.03 57.16 1jxv h ASP 46 Cb 0.31 0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.86 1jxv h ASP 46 CO -0.05 0.04 0.46 0.25 -1.72 0.00 0.00 179.24 178.22 1jxv h LEU 47 N -0.53 0.68 -1.01 1.55 5.85 -1.71 -1.72 115.31 118.41 1jxv h LEU 47 Ca -0.03 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1jxv h LEU 47 Cb 0.40 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1jxv h LEU 47 CO 0.05 0.41 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.32 1jxv h LEU 48 N 0.80 0.50 -0.82 2.25 3.38 -0.23 -0.83 115.31 120.37 1jxv h LEU 48 Ca 0.36 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 1jxv h LEU 48 Cb 0.26 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1jxv h LEU 48 CO -0.21 0.69 -0.12 0.11 0.09 0.00 0.00 178.44 179.01 1jxv h LYS 49 N 0.47 0.76 -0.22 1.13 1.57 0.35 0.56 116.57 121.19 1jxv h LYS 49 Ca 0.08 -0.25 -0.17 0.00 -1.87 0.00 0.00 60.65 58.44 1jxv h LYS 49 Cb 0.57 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1jxv h LYS 49 CO 0.04 0.84 -0.56 0.93 -0.57 0.00 0.00 179.45 180.14 1jxv h GLU 50 N 0.69 0.67 -0.31 3.15 4.39 -0.94 -2.92 114.58 119.30 1jxv h GLU 50 Ca 0.12 -0.42 -0.03 0.00 0.34 0.00 0.00 59.36 59.36 1jxv h GLU 50 Cb 0.59 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1jxv h GLU 50 CO 0.04 1.04 0.07 1.25 -1.16 0.00 0.00 179.01 180.25 1jxv h HIS 51 N 0.51 0.53 -1.58 4.33 2.76 -0.77 -3.15 115.15 117.78 1jxv h HIS 51 Ca 0.01 -0.07 -0.73 0.00 -2.20 0.00 0.00 60.37 57.38 1jxv h HIS 51 Cb 1.12 -0.15 -0.28 0.00 1.55 0.00 0.00 27.41 29.66 1jxv h HIS 51 CO 0.06 0.57 0.99 0.66 -1.30 0.00 0.00 177.93 178.90 1jxv n TYR 52 N -4.64 3.09 0.09 5.26 4.01 0.16 -4.70 117.16 120.42 1jxv n TYR 52 Ca -0.02 -2.62 -0.05 0.00 -0.16 0.00 0.00 57.90 55.05 1jxv n TYR 52 Cb 0.20 -1.30 -0.02 0.00 -0.31 0.00 0.00 39.34 37.91 1jxv n TYR 52 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1jxv h VAL 53 N 1.58 1.61 0.00 -0.72 3.04 -1.47 -2.80 116.25 117.49 1jxv h VAL 53 Ca 0.59 -2.96 0.00 0.00 -1.01 0.00 0.00 66.70 63.32 1jxv h VAL 53 Cb 0.35 2.60 0.00 0.00 -2.01 0.00 0.00 31.29 32.23 1jxv h VAL 53 CO 1.51 0.84 0.00 0.47 -1.01 0.00 0.00 177.57 179.38 1jxv n ASP 54 N -3.50 0.00 -0.14 3.17 10.43 -1.26 -1.59 116.55 123.65 1jxv n ASP 54 Ca -0.00 0.27 0.07 0.00 2.57 0.00 0.00 54.79 57.69 1jxv n ASP 54 Cb 0.82 -0.38 0.11 0.00 1.84 0.00 0.00 41.12 43.52 1jxv n ASP 54 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1jxv n LEU 55 N -1.38 2.41 -0.04 0.64 4.77 -1.06 -4.77 117.00 117.56 1jxv n LEU 55 Ca 0.05 -2.74 0.10 0.00 -0.03 0.00 0.00 56.01 53.39 1jxv n LEU 55 Cb 0.13 -0.31 0.49 0.00 -2.33 0.00 0.00 43.42 41.40 1jxv n LEU 55 CO 0.11 0.65 1.18 0.50 -1.33 0.00 0.00 177.39 178.50 1jxv h LYS 56 N 0.23 0.40 -0.00 3.23 3.64 -1.25 -2.71 116.57 120.12 1jxv h LYS 56 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1jxv h LYS 56 Cb 0.89 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1jxv h LYS 56 CO 0.02 0.27 -0.79 -0.25 -2.27 0.00 0.00 179.45 176.43 1jxv n ASP 57 N -4.47 0.96 -4.75 4.20 10.43 -1.26 -4.93 116.55 116.74 1jxv n ASP 57 Ca 0.08 -0.98 -0.32 0.00 2.57 0.00 0.00 54.79 56.13 1jxv n ASP 57 Cb 0.29 0.93 0.09 0.00 1.84 0.00 0.00 41.12 44.27 1jxv n ASP 57 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1jxv s ARG 58 N -2.62 2.27 -0.01 -1.24 1.81 -1.02 -4.99 118.95 113.14 1jxv s ARG 58 Ca 0.08 1.42 -0.20 0.00 -1.72 0.00 0.00 55.73 55.31 1jxv s ARG 58 Cb 0.14 -1.88 -0.30 0.00 -0.45 0.00 0.00 34.95 32.46 1jxv s ARG 58 CO 0.70 -1.67 0.99 -1.00 -0.68 0.00 0.00 175.30 173.65 1jxv h PRO 59 N -0.63 0.41 0.00 3.54 0.13 -1.92 -3.25 132.00 130.28 1jxv h PRO 59 Ca -0.45 -0.60 0.00 0.00 -0.87 0.00 0.00 66.00 64.07 1jxv h PRO 59 Cb 1.25 0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.59 1jxv h PRO 59 CO 0.51 1.26 0.00 1.97 -0.23 0.00 0.00 178.00 181.51 1jxv n PHE 60 N -4.04 0.67 -0.30 1.56 1.16 -1.26 -3.52 117.46 111.72 1jxv n PHE 60 Ca -0.13 0.32 0.03 0.00 -1.87 0.00 0.00 57.45 55.79 1jxv n PHE 60 Cb 0.85 -1.02 0.10 0.00 -1.61 0.00 0.00 39.48 37.81 1jxv n PHE 60 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1jxv h PHE 61 N 0.00 -0.52 -0.48 2.97 3.57 -1.78 -0.46 116.94 120.24 1jxv h PHE 61 Ca 0.00 0.08 0.08 0.00 3.53 0.00 0.00 57.97 61.66 1jxv h PHE 61 Cb 0.11 0.36 -0.06 0.00 2.79 0.00 0.00 35.95 39.15 1jxv h PHE 61 CO 0.00 -0.37 0.10 0.00 -2.23 0.00 0.00 178.31 175.81 1jxv h ALA 62 N 1.78 0.53 -0.47 2.41 0.00 -1.83 -1.40 119.26 120.28 1jxv h ALA 62 Ca 0.40 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.29 1jxv h ALA 62 Cb 0.62 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1jxv h ALA 62 CO -0.88 -0.30 -0.17 0.78 0.00 0.00 0.00 179.25 178.68 1jxv h GLY 63 N 0.24 0.99 0.77 0.00 0.00 -1.43 -1.92 103.07 101.72 1jxv h GLY 63 Ca 0.24 -0.83 0.02 0.00 0.00 0.00 0.00 47.33 46.75 1jxv h GLY 63 CO -0.30 0.76 -0.06 -2.00 0.00 0.00 0.00 176.54 174.94 1jxv h LEU 64 N 0.81 -0.18 -0.92 3.11 6.46 -0.50 0.40 115.31 124.49 1jxv h LEU 64 Ca 0.12 0.04 -0.08 0.00 -0.12 0.00 0.00 57.88 57.83 1jxv h LEU 64 Cb 0.72 0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.72 1jxv h LEU 64 CO 0.06 -0.08 -0.12 0.58 -0.62 0.00 0.00 178.44 178.26 1jxv h VAL 65 N -0.07 1.25 -0.57 1.05 2.07 -1.24 -1.51 116.25 117.23 1jxv h VAL 65 Ca 0.05 -1.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.40 1jxv h VAL 65 Cb 0.14 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1jxv h VAL 65 CO -0.11 0.37 0.18 0.50 0.02 0.00 0.00 177.57 178.53 1jxv h LYS 66 N 0.60 0.88 -0.04 1.57 1.63 -0.86 -2.65 116.57 117.70 1jxv h LYS 66 Ca 0.11 -0.19 -0.02 0.00 -0.85 0.00 0.00 60.65 59.69 1jxv h LYS 66 Cb 0.55 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1jxv h LYS 66 CO 0.03 0.80 -0.06 -0.92 -3.45 0.00 0.00 179.45 175.85 1jxv h TYR 67 N 0.80 0.14 0.00 1.91 3.20 -0.70 -2.44 116.97 119.88 1jxv h TYR 67 Ca 0.18 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1jxv h TYR 67 Cb 0.28 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1jxv h TYR 67 CO 0.02 0.62 0.00 -1.33 -1.64 0.00 0.00 178.16 175.82 1jxv n MET 68 N -4.73 0.03 -0.00 1.82 2.81 -0.59 -1.09 117.12 115.37 1jxv n MET 68 Ca -0.08 0.32 0.09 0.00 -1.81 0.00 0.00 57.70 56.22 1jxv n MET 68 Cb 0.31 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.20 1jxv n MET 68 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 1jxv n HIS 69 N -1.44 0.00 0.61 2.03 -0.00 -1.00 -4.52 115.22 110.90 1jxv n HIS 69 Ca 0.03 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.82 1jxv n HIS 69 Cb 0.09 -0.06 0.35 0.00 -0.00 0.00 0.00 29.99 30.36 1jxv n HIS 69 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1jxv n SER 70 N -1.57 0.00 -3.60 0.26 3.41 -0.25 -4.83 113.62 107.04 1jxv n SER 70 Ca 0.03 0.30 -0.01 0.00 -0.26 0.00 0.00 58.87 58.93 1jxv n SER 70 Cb 0.34 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1jxv n SER 70 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1jxv s GLY 71 N -2.80 -0.16 0.46 5.00 0.00 -1.26 -5.10 107.32 103.46 1jxv s GLY 71 Ca 0.11 0.12 -0.21 0.00 0.00 0.00 0.00 44.72 44.74 1jxv s GLY 71 CO 0.25 1.63 1.00 2.56 0.00 0.00 0.00 173.10 178.54 1jxv s PRO 72 N -2.52 4.02 0.19 2.90 0.04 -1.26 -4.61 135.00 133.76 1jxv s PRO 72 Ca 0.18 1.25 0.11 0.00 0.04 0.00 0.00 61.00 62.58 1jxv s PRO 72 Cb 0.00 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 1jxv s PRO 72 CO 0.01 -0.23 -0.24 0.14 0.04 0.00 0.00 177.00 176.73 1jxv s VAL 73 N -2.07 2.31 -0.41 -0.36 -7.23 0.10 -3.83 120.40 108.92 1jxv s VAL 73 Ca 0.64 -2.03 -0.14 0.00 -1.81 0.00 0.00 61.98 58.64 1jxv s VAL 73 Cb -0.13 -2.11 0.03 0.00 0.56 0.00 0.00 36.38 34.73 1jxv s VAL 73 CO 0.17 -0.14 0.29 -0.69 -0.31 0.00 0.00 175.10 174.42 1jxv s VAL 74 N -1.71 5.09 -0.05 1.32 1.01 -0.87 -1.60 120.40 123.59 1jxv s VAL 74 Ca 0.21 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 61.22 1jxv s VAL 74 Cb -0.08 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 1jxv s VAL 74 CO 0.10 -0.33 0.55 0.00 0.00 0.00 0.00 175.10 175.41 1jxv s ALA 75 N 1.64 3.49 0.07 5.51 0.00 0.66 -0.80 121.76 132.33 1jxv s ALA 75 Ca 0.04 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 51.97 1jxv s ALA 75 Cb -0.20 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.20 1jxv s ALA 75 CO 0.09 0.12 -0.09 -1.64 0.00 0.00 0.00 175.76 174.23 1jxv s MET 76 N 0.08 0.70 -0.12 0.00 -1.94 0.63 -2.00 119.30 116.65 1jxv s MET 76 Ca 0.29 -0.97 0.02 0.00 -1.71 0.00 0.00 55.69 53.32 1jxv s MET 76 Cb -0.17 -0.43 0.01 0.00 2.01 0.00 0.00 34.83 36.25 1jxv s MET 76 CO 0.15 0.07 -0.18 0.08 -0.01 0.00 0.00 175.02 175.13 1jxv s VAL 77 N -1.95 1.69 0.12 -6.03 1.01 -0.16 -1.62 120.40 113.46 1jxv s VAL 77 Ca -0.02 -0.76 0.11 0.00 0.00 0.00 0.00 61.98 61.31 1jxv s VAL 77 Cb -0.06 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1jxv s VAL 77 CO -0.00 0.48 -0.26 0.26 0.00 0.00 0.00 175.10 175.58 1jxv s TRP 78 N 0.89 2.34 -0.01 5.22 0.52 -0.74 -0.90 118.94 126.26 1jxv s TRP 78 Ca -0.08 -0.37 0.04 0.00 0.02 0.00 0.00 56.10 55.71 1jxv s TRP 78 Cb -0.15 -1.27 -0.01 0.00 -1.15 0.00 0.00 33.47 30.89 1jxv s TRP 78 CO -0.01 0.34 -0.12 -2.00 0.02 0.00 0.00 176.95 175.18 1jxv s GLU 79 N -2.03 0.97 0.00 4.98 2.12 -0.05 -0.86 118.70 123.83 1jxv s GLU 79 Ca 0.14 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 55.04 1jxv s GLU 79 Cb -0.10 -0.94 0.00 0.00 0.26 0.00 0.00 34.13 33.35 1jxv s GLU 79 CO 0.06 0.26 0.00 0.41 -0.54 0.00 0.00 175.26 175.45 1jxv n GLY 80 N 2.78 1.09 3.64 -1.50 0.00 0.68 -1.50 105.19 110.38 1jxv n GLY 80 Ca -0.14 -1.07 -0.51 0.00 0.00 0.00 0.00 46.02 44.30 1jxv n GLY 80 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1jxv n LEU 81 N 0.00 2.92 -2.46 0.99 0.00 -1.26 -2.08 117.00 115.12 1jxv n LEU 81 Ca 0.00 0.84 -0.20 0.00 0.00 0.00 0.00 56.01 56.65 1jxv n LEU 81 Cb 0.00 -1.30 -0.01 0.00 0.00 0.00 0.00 43.42 42.11 1jxv n LEU 81 CO 0.00 -0.31 -0.23 0.59 0.00 0.00 0.00 177.39 177.44 1jxv n ASN 82 N 7.28 -5.69 0.27 1.96 3.02 -1.26 -4.86 115.26 115.98 1jxv n ASN 82 Ca 0.28 -0.01 0.12 0.00 -0.03 0.00 0.00 54.58 54.93 1jxv n ASN 82 Cb 0.25 -4.73 0.75 0.00 -0.61 0.00 0.00 39.78 35.44 1jxv n ASN 82 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1jxv h VAL 83 N -0.11 0.72 -0.02 2.41 3.04 -1.71 -0.97 116.25 119.62 1jxv h VAL 83 Ca -0.47 -0.26 -0.01 0.00 -1.01 0.00 0.00 66.70 64.95 1jxv h VAL 83 Cb 1.35 1.16 -0.00 0.00 -2.01 0.00 0.00 31.29 31.79 1jxv h VAL 83 CO 0.56 0.07 -0.01 0.58 -1.01 0.00 0.00 177.57 177.75 1jxv h VAL 84 N 0.00 1.32 -0.04 1.51 2.07 -1.86 0.51 116.25 119.76 1jxv h VAL 84 Ca -0.00 -0.98 -0.15 0.00 0.82 0.00 0.00 66.70 66.40 1jxv h VAL 84 Cb 0.15 1.95 0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1jxv h VAL 84 CO 0.01 0.26 -0.54 0.11 0.02 0.00 0.00 177.57 177.43 1jxv h LYS 85 N -0.36 0.44 -0.74 1.57 6.56 -1.80 -2.58 116.57 119.66 1jxv h LYS 85 Ca 0.00 -0.42 -0.06 0.00 -1.06 0.00 0.00 60.65 59.12 1jxv h LYS 85 Cb 0.42 0.10 -0.03 0.00 -0.57 0.00 0.00 32.23 32.16 1jxv h LYS 85 CO 0.00 1.07 0.24 1.15 -2.06 0.00 0.00 179.45 179.85 1jxv h THR 86 N -0.03 1.26 -0.63 -0.16 2.02 -1.21 -0.30 112.91 113.87 1jxv h THR 86 Ca -0.05 -0.89 0.05 0.00 0.77 0.00 0.00 66.41 66.29 1jxv h THR 86 Cb 1.22 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 68.01 1jxv h THR 86 CO 0.11 0.35 0.35 1.23 0.37 0.00 0.00 175.52 177.93 1jxv h GLY 87 N 1.10 0.91 1.03 2.16 0.00 0.01 0.14 103.07 108.42 1jxv h GLY 87 Ca 0.24 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 1jxv h GLY 87 CO -0.01 0.16 0.27 3.21 0.00 0.00 0.00 176.54 180.17 1jxv h ARG 88 N 0.66 1.07 -0.96 4.80 3.08 -0.96 0.25 114.38 122.32 1jxv h ARG 88 Ca 0.28 -0.20 0.02 0.00 0.07 0.00 0.00 59.98 60.14 1jxv h ARG 88 Cb 0.15 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 1jxv h ARG 88 CO -0.16 0.89 0.63 0.28 -1.07 0.00 0.00 179.97 180.54 1jxv h VAL 89 N 1.02 1.23 -0.22 2.04 2.07 -0.24 -0.45 116.25 121.70 1jxv h VAL 89 Ca 0.24 -0.44 -0.16 0.00 0.82 0.00 0.00 66.70 67.16 1jxv h VAL 89 Cb 0.23 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 1jxv h VAL 89 CO -0.02 0.23 -0.51 0.24 0.02 0.00 0.00 177.57 177.54 1jxv h MET 90 N 1.28 0.62 -0.40 1.57 2.86 0.10 -2.40 114.93 118.56 1jxv h MET 90 Ca 0.36 -0.37 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 1jxv h MET 90 Cb -0.11 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 1jxv h MET 90 CO -0.09 0.98 -0.14 -0.07 1.06 0.00 0.00 176.91 178.66 1jxv h LEU 91 N 0.48 0.72 0.00 1.22 3.38 -0.67 -1.55 115.31 118.89 1jxv h LEU 91 Ca 0.02 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1jxv h LEU 91 Cb 1.06 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1jxv h LEU 91 CO 0.10 0.87 0.00 0.61 0.09 0.00 0.00 178.44 180.11 1jxv n GLY 92 N -0.43 -3.21 3.76 0.83 0.00 -0.20 -1.27 105.19 104.67 1jxv n GLY 92 Ca 0.01 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 43.82 1jxv n GLY 92 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jxv n GLU 93 N -0.46 2.03 -0.13 1.61 4.71 -1.26 -4.85 120.64 122.30 1jxv n GLU 93 Ca 0.00 0.73 0.06 0.00 -0.01 0.00 0.00 57.16 57.94 1jxv n GLU 93 Cb 0.00 -2.62 0.38 0.00 -1.01 0.00 0.00 31.44 28.19 1jxv n GLU 93 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 1jxv h THR 94 N 1.94 1.04 -3.58 2.62 2.02 -1.95 -3.34 112.91 111.66 1jxv h THR 94 Ca -0.51 -0.23 -0.63 0.00 0.77 0.00 0.00 66.41 65.81 1jxv h THR 94 Cb 1.28 0.30 -0.13 0.00 -1.74 0.00 0.00 68.15 67.86 1jxv h THR 94 CO 0.59 0.12 0.25 0.21 0.37 0.00 0.00 175.52 177.07 1jxv s ASN 95 N -6.34 6.43 0.66 4.18 2.47 -1.26 -4.80 114.94 116.28 1jxv s ASN 95 Ca -0.09 0.03 0.27 0.00 0.42 0.00 0.00 52.86 53.49 1jxv s ASN 95 Cb 0.19 -2.36 1.48 0.00 -1.45 0.00 0.00 41.25 39.11 1jxv s ASN 95 CO 0.76 -0.75 1.83 -0.65 -3.72 0.00 0.00 177.10 174.57 1jxv h PRO 96 N 8.69 0.00 0.00 0.43 0.11 -1.79 0.22 132.00 139.66 1jxv h PRO 96 Ca -0.25 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.77 1jxv h PRO 96 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1jxv h PRO 96 CO 0.90 0.00 -0.42 0.00 -0.21 0.00 0.00 178.00 178.27 1jxv h ALA 97 N 1.21 0.91 -0.02 -0.75 0.00 -1.89 -2.23 119.26 116.49 1jxv h ALA 97 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1jxv h ALA 97 Cb 0.78 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1jxv h ALA 97 CO 0.00 0.52 -0.16 -0.25 0.00 0.00 0.00 179.25 179.36 1jxv n ASP 98 N -3.47 2.40 -4.74 0.00 8.00 0.75 -4.95 116.55 114.55 1jxv n ASP 98 Ca 0.00 -1.72 -0.41 0.00 0.71 0.00 0.00 54.79 53.37 1jxv n ASP 98 Cb 0.56 0.15 -0.04 0.00 -0.02 0.00 0.00 41.12 41.78 1jxv n ASP 98 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1jxv s SER 99 N -2.18 7.28 0.21 -2.24 0.01 -0.84 -4.60 113.70 111.36 1jxv s SER 99 Ca 0.26 2.07 -0.15 0.00 1.31 0.00 0.00 55.95 59.44 1jxv s SER 99 Cb 0.20 -2.60 -0.08 0.00 0.21 0.00 0.00 66.02 63.74 1jxv s SER 99 CO 0.40 -0.21 0.63 -0.54 0.41 0.00 0.00 173.24 173.93 1jxv s LYS 100 N -0.37 4.02 0.38 12.44 -0.14 -1.26 -4.58 119.74 130.24 1jxv s LYS 100 Ca 0.49 0.58 -0.25 0.00 -1.36 0.00 0.00 55.97 55.43 1jxv s LYS 100 Cb -0.29 -2.77 -0.12 0.00 -1.68 0.00 0.00 37.83 32.97 1jxv s LYS 100 CO 0.35 0.37 1.00 -2.30 -0.76 0.00 0.00 175.35 174.00 1jxv n PRO 101 N 0.39 1.35 0.00 -1.68 -0.02 -1.26 -2.27 135.00 131.51 1jxv n PRO 101 Ca -0.02 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1jxv n PRO 101 Cb 0.52 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1jxv n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jxv n GLY 102 N 1.21 2.45 3.96 -1.23 0.00 -1.26 -4.97 105.19 105.34 1jxv n GLY 102 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1jxv n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jxv s THR 103 N -2.48 2.98 0.02 2.61 -4.23 -0.96 -4.92 115.64 108.66 1jxv s THR 103 Ca 0.00 -0.57 -0.24 0.00 -1.18 0.00 0.00 61.69 59.69 1jxv s THR 103 Cb 0.00 -3.13 -0.17 0.00 1.34 0.00 0.00 72.50 70.54 1jxv s THR 103 CO 0.00 -0.09 1.42 0.40 -0.54 0.00 0.00 174.62 175.81 1jxv h ILE 104 N 0.09 1.27 -0.03 2.99 2.04 -1.26 0.15 117.51 122.76 1jxv h ILE 104 Ca -0.43 -0.82 -0.16 0.00 1.00 0.00 0.00 64.86 64.45 1jxv h ILE 104 Cb 1.29 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 39.12 1jxv h ILE 104 CO 0.54 0.22 -0.69 0.03 0.00 0.00 0.00 178.15 178.26 1jxv h ARG 105 N -0.27 0.15 -0.61 2.37 3.08 -1.45 -1.18 114.38 116.47 1jxv h ARG 105 Ca 0.01 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 1jxv h ARG 105 Cb 0.36 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1jxv h ARG 105 CO 0.00 0.78 0.14 0.78 -1.07 0.00 0.00 179.97 180.60 1jxv h GLY 106 N 1.73 1.05 1.69 0.04 0.00 -1.68 -2.35 103.07 103.55 1jxv h GLY 106 Ca -0.01 -0.66 -0.24 0.00 0.00 0.00 0.00 47.33 46.41 1jxv h GLY 106 CO 0.10 0.62 -1.08 -0.55 0.00 0.00 0.00 176.54 175.63 1jxv h ASP 107 N 0.89 0.36 -0.00 0.19 3.32 -0.70 -3.42 116.42 117.05 1jxv h ASP 107 Ca 0.19 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1jxv h ASP 107 Cb 0.36 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1jxv h ASP 107 CO 0.00 1.21 -0.04 0.49 -1.72 0.00 0.00 179.24 179.19 1jxv n PHE 108 N -3.58 0.00 -3.97 4.55 3.72 -0.47 -5.08 117.46 112.63 1jxv n PHE 108 Ca -0.06 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.24 1jxv n PHE 108 Cb 0.93 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.44 1jxv n PHE 108 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jxv n ILE 110 N -0.45 0.00 -5.06 0.00 5.41 -1.26 -4.71 119.36 113.28 1jxv n ILE 110 Ca -0.02 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.42 1jxv n ILE 110 Cb 0.61 -0.98 -0.15 0.00 -0.71 0.00 0.00 39.64 38.41 1jxv n ILE 110 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1jxv s GLN 111 N -1.95 1.98 0.53 0.38 0.74 -1.26 -4.13 119.66 115.95 1jxv s GLN 111 Ca 0.00 -1.01 0.26 0.00 0.05 0.00 0.00 55.36 54.67 1jxv s GLN 111 Cb 0.00 -2.04 1.48 0.00 1.10 0.00 0.00 33.01 33.55 1jxv s GLN 111 CO 0.00 0.54 2.10 -0.24 -0.55 0.00 0.00 175.29 177.14 1jxv h VAL 112 N 4.33 0.62 0.00 1.34 3.04 -1.95 -0.20 116.25 123.42 1jxv h VAL 112 Ca -0.45 -0.43 0.00 0.00 -1.01 0.00 0.00 66.70 64.81 1jxv h VAL 112 Cb 1.13 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 31.68 1jxv h VAL 112 CO 0.46 0.10 0.00 1.23 -1.01 0.00 0.00 177.57 178.34 1jxv h GLY 113 N 0.63 0.00 -5.94 3.17 0.00 -1.95 -3.27 103.07 95.70 1jxv h GLY 113 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1jxv h GLY 113 CO 0.01 0.00 -0.81 0.54 0.00 0.00 0.00 176.54 176.29 1jxv n ARG 114 N -2.95 2.01 -0.82 4.80 5.12 -0.10 -4.94 116.66 119.80 1jxv n ARG 114 Ca 0.04 -4.18 -0.05 0.00 -1.93 0.00 0.00 57.85 51.73 1jxv n ARG 114 Cb 0.48 -1.92 0.22 0.00 -1.16 0.00 0.00 32.46 30.09 1jxv n ARG 114 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1jxv n ASN 115 N 0.71 3.28 0.00 0.55 6.94 -1.15 -4.26 115.26 121.33 1jxv n ASN 115 Ca 0.27 -3.51 0.00 0.00 -0.02 0.00 0.00 54.58 51.32 1jxv n ASN 115 Cb 0.47 -0.66 0.00 0.00 -2.36 0.00 0.00 39.78 37.23 1jxv n ASN 115 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1jxv n ILE 116 N -0.87 0.00 -3.51 1.53 0.13 -1.26 -4.76 119.36 110.61 1jxv n ILE 116 Ca 0.36 0.00 -0.14 0.00 -1.10 0.00 0.00 62.75 61.87 1jxv n ILE 116 Cb 1.15 0.00 -0.04 0.00 -0.84 0.00 0.00 39.64 39.91 1jxv n ILE 116 CO 0.00 0.00 0.00 -0.51 2.80 0.00 0.00 176.55 178.84 1jxv s ILE 117 N 0.00 0.02 -0.01 9.51 2.07 -1.26 -1.11 121.20 130.41 1jxv s ILE 117 Ca 0.00 -0.13 0.05 0.00 -1.41 0.00 0.00 60.65 59.16 1jxv s ILE 117 Cb 0.00 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.58 1jxv s ILE 117 CO 0.00 -0.07 -0.15 -2.28 -1.91 0.00 0.00 174.94 170.53 1jxv s HIS 118 N -2.76 1.35 0.02 3.50 5.65 0.83 -4.88 115.29 119.00 1jxv s HIS 118 Ca -0.04 -0.27 0.03 0.00 0.25 0.00 0.00 55.06 55.04 1jxv s HIS 118 Cb -0.00 -0.88 -0.02 0.00 -1.18 0.00 0.00 32.58 30.50 1jxv s HIS 118 CO -0.04 -0.04 -0.11 0.20 -0.65 0.00 0.00 174.74 174.11 1jxv s GLY 119 N -0.30 0.59 0.30 1.59 0.00 -1.26 -0.85 107.32 107.38 1jxv s GLY 119 Ca 0.05 -0.64 -0.29 0.00 0.00 0.00 0.00 44.72 43.84 1jxv s GLY 119 CO -0.00 -0.61 1.30 1.44 0.00 0.00 0.00 173.10 175.22 1jxv n SER 120 N 2.19 2.59 0.06 1.64 7.64 -0.64 -4.91 113.62 122.19 1jxv n SER 120 Ca -0.17 1.18 0.11 0.00 1.01 0.00 0.00 58.87 61.01 1jxv n SER 120 Cb 0.56 -1.44 0.04 0.00 -1.01 0.00 0.00 64.21 62.35 1jxv n SER 120 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1jxv n ASP 121 N 1.30 0.67 -3.88 6.43 5.68 -1.26 -4.78 116.55 120.70 1jxv n ASP 121 Ca 0.08 0.07 -0.09 0.00 -0.50 0.00 0.00 54.79 54.34 1jxv n ASP 121 Cb 0.34 0.61 -0.07 0.00 -1.14 0.00 0.00 41.12 40.85 1jxv n ASP 121 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1jxv s SER 122 N -4.52 0.11 0.37 -1.12 1.04 -1.26 -4.94 113.70 103.39 1jxv s SER 122 Ca 0.02 -0.71 0.08 0.00 0.48 0.00 0.00 55.95 55.83 1jxv s SER 122 Cb 0.12 0.36 0.82 0.00 0.10 0.00 0.00 66.02 67.42 1jxv s SER 122 CO 0.79 -0.76 1.94 0.58 0.98 0.00 0.00 173.24 176.76 1jxv h VAL 123 N 2.71 0.94 -0.01 5.02 2.07 -1.93 0.20 116.25 125.26 1jxv h VAL 123 Ca -0.34 -0.23 -0.26 0.00 0.82 0.00 0.00 66.70 66.69 1jxv h VAL 123 Cb 1.20 0.21 0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1jxv h VAL 123 CO 0.55 0.12 -1.02 1.05 0.02 0.00 0.00 177.57 178.29 1jxv h GLU 124 N 0.67 0.69 0.00 1.57 -0.00 -1.97 -2.03 114.58 113.51 1jxv h GLU 124 Ca 0.34 -0.73 -0.05 0.00 -0.00 0.00 0.00 59.36 58.92 1jxv h GLU 124 Cb 0.45 0.20 -0.01 0.00 -0.00 0.00 0.00 28.75 29.40 1jxv h GLU 124 CO -0.12 1.31 -0.26 0.66 -0.00 0.00 0.00 179.01 180.60 1jxv h SER 125 N 0.40 0.00 -0.18 3.06 4.64 -1.88 -2.02 113.55 117.57 1jxv h SER 125 Ca -0.12 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.18 1jxv h SER 125 Cb 1.67 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.75 1jxv h SER 125 CO 0.20 0.26 0.03 0.00 -0.87 0.00 0.00 176.83 176.45 1jxv h ALA 126 N 1.74 0.24 -0.47 5.18 0.00 -0.44 0.03 119.26 125.54 1jxv h ALA 126 Ca -0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1jxv h ALA 126 Cb 0.82 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1jxv h ALA 126 CO 0.03 -0.10 -0.01 0.93 0.00 0.00 0.00 179.25 180.10 1jxv h GLU 127 N 0.09 0.79 0.01 0.00 4.39 -1.13 -0.14 114.58 118.59 1jxv h GLU 127 Ca 0.06 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.56 1jxv h GLU 127 Cb 0.30 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1jxv h GLU 127 CO 0.00 0.80 -0.13 -0.22 -1.16 0.00 0.00 179.01 178.31 1jxv h LYS 128 N 0.73 -0.21 -0.21 2.33 1.63 -1.07 -2.21 116.57 117.56 1jxv h LYS 128 Ca 0.14 0.01 -0.20 0.00 -0.85 0.00 0.00 60.65 59.76 1jxv h LYS 128 Cb 0.47 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1jxv h LYS 128 CO 0.02 -0.14 -0.66 0.93 -3.45 0.00 0.00 179.45 176.16 1jxv h GLU 129 N -0.22 0.79 -0.80 1.90 5.08 -0.50 0.39 114.58 121.22 1jxv h GLU 129 Ca 0.04 -0.57 -0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1jxv h GLU 129 Cb 0.27 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1jxv h GLU 129 CO -0.12 1.19 0.49 0.82 -1.00 0.00 0.00 179.01 180.39 1jxv h ILE 130 N 0.58 1.22 -0.10 3.13 2.04 -1.07 0.81 117.51 124.12 1jxv h ILE 130 Ca -0.02 -0.46 -0.14 0.00 1.00 0.00 0.00 64.86 65.25 1jxv h ILE 130 Cb 1.27 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1jxv h ILE 130 CO 0.14 0.22 -0.54 1.23 0.00 0.00 0.00 178.15 179.20 1jxv h GLY 131 N 1.09 0.32 1.67 5.37 0.00 -1.10 0.10 103.07 110.51 1jxv h GLY 131 Ca 0.29 -0.36 -0.16 0.00 0.00 0.00 0.00 47.33 47.09 1jxv h GLY 131 CO -0.06 0.32 -0.66 -2.00 0.00 0.00 0.00 176.54 174.15 1jxv h LEU 132 N 0.22 0.39 0.00 3.11 5.85 -0.31 -3.36 115.31 121.21 1jxv h LEU 132 Ca 0.00 -0.24 -0.11 0.00 0.84 0.00 0.00 57.88 58.37 1jxv h LEU 132 Cb 1.02 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1jxv h LEU 132 CO 0.09 0.94 -2.02 0.79 -0.34 0.00 0.00 178.44 177.89 1jxv n TRP 133 N -3.86 0.00 -4.99 1.25 7.02 0.22 -4.97 117.44 112.12 1jxv n TRP 133 Ca -0.03 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.17 1jxv n TRP 133 Cb 0.66 -0.61 -0.16 0.00 -2.42 0.00 0.00 31.31 28.79 1jxv n TRP 133 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1jxv s PHE 134 N -3.06 1.88 0.35 -5.99 0.40 0.35 -5.07 117.98 106.83 1jxv s PHE 134 Ca -0.08 -0.43 -0.26 0.00 -0.60 0.00 0.00 56.93 55.55 1jxv s PHE 134 Cb 0.10 -1.23 -0.09 0.00 0.51 0.00 0.00 43.02 42.31 1jxv s PHE 134 CO 0.80 -0.09 1.08 -1.01 0.70 0.00 0.00 175.22 176.69 1jxv s HIS 135 N -0.30 3.40 0.50 0.36 3.76 -1.26 -4.56 115.29 117.19 1jxv s HIS 135 Ca 0.03 1.67 0.38 0.00 -0.15 0.00 0.00 55.06 56.99 1jxv s HIS 135 Cb -0.10 -3.21 2.00 0.00 1.11 0.00 0.00 32.58 32.39 1jxv s HIS 135 CO 0.01 -0.62 2.24 -1.00 -0.85 0.00 0.00 174.74 174.51 1jxv h PRO 136 N 3.09 0.00 -0.01 8.40 0.13 -1.95 0.20 132.00 141.86 1jxv h PRO 136 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1jxv h PRO 136 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1jxv h PRO 136 CO 0.64 0.02 -0.07 -0.85 -0.23 0.00 0.00 178.00 177.51 1jxv n GLU 137 N -3.25 1.00 0.00 0.86 0.00 -1.26 -2.85 120.64 115.14 1jxv n GLU 137 Ca -0.02 -0.37 0.13 0.00 0.00 0.00 0.00 57.16 56.89 1jxv n GLU 137 Cb 0.15 -1.49 0.34 0.00 0.00 0.00 0.00 31.44 30.44 1jxv n GLU 137 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1jxv n GLU 138 N -0.67 0.46 -3.39 3.44 1.02 0.71 -4.80 120.64 117.39 1jxv n GLU 138 Ca 0.17 -0.26 -0.40 0.00 -0.02 0.00 0.00 57.16 56.65 1jxv n GLU 138 Cb 0.26 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 30.10 1jxv n GLU 138 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1jxv s LEU 139 N -2.72 4.37 -0.16 -4.62 1.43 -1.13 -4.63 118.68 111.21 1jxv s LEU 139 Ca 0.19 -0.15 -0.13 0.00 -1.03 0.00 0.00 54.13 53.01 1jxv s LEU 139 Cb 0.19 -2.36 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 1jxv s LEU 139 CO 0.59 -0.32 0.25 -0.69 0.23 0.00 0.00 176.35 176.41 1jxv s VAL 140 N 2.04 5.33 -0.18 -1.59 1.01 0.20 -5.02 120.40 122.19 1jxv s VAL 140 Ca 0.12 0.46 -0.06 0.00 0.00 0.00 0.00 61.98 62.50 1jxv s VAL 140 Cb -0.16 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1jxv s VAL 140 CO 0.12 0.42 0.02 -1.81 0.00 0.00 0.00 175.10 173.84 1jxv s ASP 141 N 0.34 5.20 0.25 3.32 1.01 -1.26 -4.59 116.67 120.94 1jxv s ASP 141 Ca 0.15 -0.04 -0.20 0.00 0.71 0.00 0.00 52.55 53.17 1jxv s ASP 141 Cb -0.13 -1.88 0.02 0.00 1.01 0.00 0.00 42.92 41.95 1jxv s ASP 141 CO 0.03 0.15 0.65 -0.72 0.21 0.00 0.00 175.17 175.48 1jxv s TYR 142 N 0.50 -0.13 -0.19 4.23 1.13 -1.26 -5.15 117.35 116.49 1jxv s TYR 142 Ca 0.00 -0.28 -0.05 0.00 -1.41 0.00 0.00 57.07 55.33 1jxv s TYR 142 Cb -0.13 0.58 -0.03 0.00 -1.10 0.00 0.00 41.96 41.27 1jxv s TYR 142 CO 0.02 -1.13 0.00 0.99 -2.51 0.00 0.00 175.55 172.92 1jxv s THR 143 N -3.91 4.10 0.40 -3.49 2.01 -1.26 -5.09 115.64 108.40 1jxv s THR 143 Ca 0.12 -0.27 -0.27 0.00 0.31 0.00 0.00 61.69 61.58 1jxv s THR 143 Cb -0.04 -2.84 -0.09 0.00 0.01 0.00 0.00 72.50 69.54 1jxv s THR 143 CO 0.04 0.45 1.34 -0.55 -0.69 0.00 0.00 174.62 175.21 1jxv s SER 144 N 0.75 6.32 0.58 3.53 0.15 -1.26 -4.89 113.70 118.88 1jxv s SER 144 Ca 0.00 2.74 0.38 0.00 0.70 0.00 0.00 55.95 59.78 1jxv s SER 144 Cb -0.14 -2.65 1.94 0.00 -1.71 0.00 0.00 66.02 63.46 1jxv s SER 144 CO 0.02 -0.85 2.16 0.00 1.20 0.00 0.00 173.24 175.77 1jxv n ALA 146 N -2.04 2.40 -0.22 0.00 0.00 -1.26 -4.65 120.51 114.74 1jxv n ALA 146 Ca -0.02 -1.02 0.01 0.00 0.00 0.00 0.00 53.44 52.42 1jxv n ALA 146 Cb 0.14 -0.82 0.12 0.00 0.00 0.00 0.00 19.45 18.89 1jxv n ALA 146 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1jxv h GLN 147 N 4.22 0.46 0.00 0.00 4.15 -1.85 0.19 115.11 122.28 1jxv h GLN 147 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1jxv h GLN 147 Cb 0.95 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.54 1jxv h GLN 147 CO 0.00 0.30 0.00 0.09 -1.93 0.00 0.00 178.83 177.29 1jxv n ASN 148 N -4.95 0.00 -0.18 -0.69 3.02 -1.26 -0.62 115.26 110.57 1jxv n ASN 148 Ca 0.10 0.41 0.09 0.00 -0.03 0.00 0.00 54.58 55.15 1jxv n ASN 148 Cb 0.28 -0.46 -0.06 0.00 -0.61 0.00 0.00 39.78 38.93 1jxv n ASN 148 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1jxv n TRP 149 N -1.46 0.00 -0.11 3.10 7.02 0.57 -4.26 117.44 122.30 1jxv n TRP 149 Ca 0.06 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.41 1jxv n TRP 149 Cb 0.23 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 28.98 1jxv n TRP 149 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1jxv n ILE 150 N -0.85 1.43 -4.33 -0.99 5.41 -0.58 -4.99 119.36 114.46 1jxv n ILE 150 Ca 0.05 -0.75 -0.20 0.00 1.00 0.00 0.00 62.75 62.86 1jxv n ILE 150 Cb 0.33 -0.84 -0.13 0.00 -0.71 0.00 0.00 39.64 38.29 1jxv n ILE 150 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1jxv s TYR 151 N -2.50 1.21 -2.00 1.39 2.02 0.21 -5.10 117.35 112.57 1jxv s TYR 151 Ca -0.19 -0.36 0.22 0.00 -0.37 0.00 0.00 57.07 56.36 1jxv s TYR 151 Cb 0.07 -0.71 1.29 0.00 -0.40 0.00 0.00 41.96 42.21 1jxv s TYR 151 CO 0.74 0.03 1.67 0.39 -1.57 0.00 0.00 175.55 176.81