#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fvj s GLN 2 N 0.00 3.77 -0.07 0.00 -0.44 -1.26 -5.10 119.66 116.56 1fvj s GLN 2 Ca 0.00 -0.44 0.04 0.00 -2.50 0.00 0.00 55.36 52.47 1fvj s GLN 2 Cb 0.00 -3.23 -0.01 0.00 -1.64 0.00 0.00 33.01 28.12 1fvj s GLN 2 CO 0.00 0.03 -0.20 0.71 0.50 0.00 0.00 175.29 176.33 1fvj s TYR 3 N 1.01 2.57 -0.10 1.67 2.02 -1.26 -5.02 117.35 118.25 1fvj s TYR 3 Ca 0.04 -0.61 0.03 0.00 -0.37 0.00 0.00 57.07 56.15 1fvj s TYR 3 Cb -0.14 -1.66 0.01 0.00 -0.40 0.00 0.00 41.96 39.76 1fvj s TYR 3 CO 0.03 -0.15 -0.20 -1.21 -1.57 0.00 0.00 175.55 172.45 1fvj s GLU 4 N -0.14 2.58 0.30 -0.62 2.02 -1.26 -5.05 118.70 116.53 1fvj s GLU 4 Ca -0.03 -0.71 -0.30 0.00 0.02 0.00 0.00 54.97 53.95 1fvj s GLU 4 Cb -0.14 -2.02 -0.11 0.00 0.10 0.00 0.00 34.13 31.96 1fvj s GLU 4 CO 0.04 0.09 1.60 0.34 0.02 0.00 0.00 175.26 177.35 1fvj s ASP 5 N 0.55 6.35 0.00 -0.19 -1.08 -1.26 -0.66 116.67 120.38 1fvj s ASP 5 Ca -0.15 2.98 0.00 0.00 -0.52 0.00 0.00 52.55 54.85 1fvj s ASP 5 Cb -0.17 -2.64 0.00 0.00 -1.46 0.00 0.00 42.92 38.65 1fvj s ASP 5 CO 0.05 -0.93 0.00 0.61 0.52 0.00 0.00 175.17 175.43 1fvj n GLY 6 N 2.06 1.83 0.00 2.66 0.00 0.15 -4.89 105.19 106.99 1fvj n GLY 6 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1fvj n GLY 6 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1fvj n LYS 7 N -2.00 0.00 0.05 1.61 0.00 0.17 -4.79 118.16 113.20 1fvj n LYS 7 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.44 1fvj n LYS 7 Cb 0.00 0.00 0.50 0.00 -0.00 0.00 0.00 35.03 35.53 1fvj n LYS 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1fvj n GLN 8 N -0.76 0.12 -3.88 -1.58 3.00 -1.15 -3.71 117.38 109.41 1fvj n GLN 8 Ca 0.00 0.14 -0.08 0.00 -0.01 0.00 0.00 57.00 57.05 1fvj n GLN 8 Cb 0.00 -1.65 -0.03 0.00 0.00 0.00 0.00 30.24 28.56 1fvj n GLN 8 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.06 178.58 1fvj s TYR 9 N -3.06 -0.06 0.08 1.08 1.13 -1.26 -0.91 117.35 114.35 1fvj s TYR 9 Ca 0.11 -0.37 0.03 0.00 -1.41 0.00 0.00 57.07 55.43 1fvj s TYR 9 Cb 0.15 0.57 -0.03 0.00 -1.10 0.00 0.00 41.96 41.55 1fvj s TYR 9 CO 0.52 -1.17 -0.09 0.95 -2.51 0.00 0.00 175.55 173.26 1fvj s THR 10 N -3.94 0.80 -0.13 -3.49 -4.23 -0.03 0.29 115.64 104.90 1fvj s THR 10 Ca 0.14 -1.56 -0.06 0.00 -1.18 0.00 0.00 61.69 59.02 1fvj s THR 10 Cb -0.05 -1.24 -0.04 0.00 1.34 0.00 0.00 72.50 72.51 1fvj s THR 10 CO 0.07 -0.58 0.10 -0.89 -0.54 0.00 0.00 174.62 172.78 1fvj s THR 11 N -2.42 5.12 0.21 3.99 2.01 -1.26 -1.27 115.64 122.03 1fvj s THR 11 Ca 0.03 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.80 1fvj s THR 11 Cb -0.03 -3.24 -0.08 0.00 0.01 0.00 0.00 72.50 69.15 1fvj s THR 11 CO -0.01 0.56 1.05 -0.76 -0.69 0.00 0.00 174.62 174.77 1fvj s LEU 12 N -0.56 4.55 0.12 4.42 1.43 0.31 -4.95 118.68 123.99 1fvj s LEU 12 Ca 0.12 2.07 -0.16 0.00 -1.03 0.00 0.00 54.13 55.13 1fvj s LEU 12 Cb -0.12 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 1fvj s LEU 12 CO 0.02 -0.09 1.58 1.05 0.23 0.00 0.00 176.35 179.14 1fvj h GLU 13 N 4.58 0.63 -3.89 1.70 -0.00 -1.98 -3.37 114.58 112.25 1fvj h GLU 13 Ca -0.45 -0.18 -0.69 0.00 -0.00 0.00 0.00 59.36 58.04 1fvj h GLU 13 Cb 1.21 -0.07 -0.35 0.00 -0.00 0.00 0.00 28.75 29.54 1fvj h GLU 13 CO 0.70 0.71 -0.44 -1.59 -0.00 0.00 0.00 179.01 178.39 1fvj s LYS 14 N -5.11 2.35 0.04 1.06 0.00 -1.26 -5.07 119.74 111.75 1fvj s LYS 14 Ca -0.13 -2.30 -0.30 0.00 0.00 0.00 0.00 55.97 53.24 1fvj s LYS 14 Cb 0.09 -3.67 -0.09 0.00 0.00 0.00 0.00 37.83 34.17 1fvj s LYS 14 CO 0.77 -1.14 1.92 -2.14 0.00 0.00 0.00 175.35 174.77 1fvj s PRO 15 N 0.33 4.14 0.02 1.78 0.02 -1.26 -4.95 135.00 135.09 1fvj s PRO 15 Ca 0.14 2.58 -0.30 0.00 0.02 0.00 0.00 61.00 63.43 1fvj s PRO 15 Cb -0.21 -4.07 -0.06 0.00 0.02 0.00 0.00 34.50 30.18 1fvj s PRO 15 CO -0.04 -0.93 1.38 0.08 -0.33 0.00 0.00 177.00 177.17 1fvj s VAL 16 N 4.19 3.69 0.06 3.83 1.01 -0.80 -4.99 120.40 127.39 1fvj s VAL 16 Ca 0.86 1.11 -0.25 0.00 0.00 0.00 0.00 61.98 63.70 1fvj s VAL 16 Cb -0.42 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 1fvj s VAL 16 CO 0.40 0.01 0.76 0.00 0.00 0.00 0.00 175.10 176.28 1fvj s ALA 17 N 2.15 3.38 -0.53 5.51 0.00 -1.26 -3.77 121.76 127.23 1fvj s ALA 17 Ca 0.63 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1fvj s ALA 17 Cb -0.32 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1fvj s ALA 17 CO 0.27 0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.53 1fvj n GLY 18 N 2.31 0.75 3.79 0.00 0.00 -1.26 -5.01 105.19 105.77 1fvj n GLY 18 Ca -0.03 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 1fvj n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fvj s ALA 19 N -2.09 2.76 0.79 4.61 0.00 -1.25 -4.99 121.76 121.59 1fvj s ALA 19 Ca 0.00 0.65 -0.13 0.00 0.00 0.00 0.00 51.96 52.48 1fvj s ALA 19 Cb 0.00 -3.29 0.08 0.00 0.00 0.00 0.00 23.12 19.90 1fvj s ALA 19 CO 0.00 -0.62 1.20 -2.14 0.00 0.00 0.00 175.76 174.19 1fvj s PRO 20 N -3.44 1.74 0.12 0.00 0.02 -1.26 -4.73 135.00 127.45 1fvj s PRO 20 Ca 0.69 1.72 -0.28 0.00 0.02 0.00 0.00 61.00 63.14 1fvj s PRO 20 Cb -0.19 -1.79 -0.07 0.00 0.02 0.00 0.00 34.50 32.46 1fvj s PRO 20 CO 0.27 -2.13 1.61 1.96 -0.33 0.00 0.00 177.00 178.37 1fvj h GLN 21 N -0.83 -0.51 -4.42 5.54 4.20 -1.93 -3.36 115.11 113.79 1fvj h GLN 21 Ca -0.46 0.03 -0.60 0.00 0.06 0.00 0.00 58.65 57.68 1fvj h GLN 21 Cb 1.29 0.12 -0.38 0.00 0.30 0.00 0.00 27.48 28.81 1fvj h GLN 21 CO 0.47 -0.34 -0.80 0.08 -0.67 0.00 0.00 178.83 177.57 1fvj s VAL 22 N -5.99 1.51 -0.15 -0.54 1.01 -1.17 0.08 120.40 115.15 1fvj s VAL 22 Ca -0.16 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.80 1fvj s VAL 22 Cb 0.08 -1.68 -0.00 0.00 0.00 0.00 0.00 36.38 34.78 1fvj s VAL 22 CO 0.65 0.06 -0.15 -0.22 0.00 0.00 0.00 175.10 175.44 1fvj s LEU 23 N 1.43 2.51 -0.07 3.92 2.96 -0.17 -0.62 118.68 128.65 1fvj s LEU 23 Ca -0.03 -0.44 0.04 0.00 -0.22 0.00 0.00 54.13 53.48 1fvj s LEU 23 Cb -0.17 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 1fvj s LEU 23 CO -0.07 0.10 -0.20 -0.70 -1.32 0.00 0.00 176.35 174.16 1fvj s GLU 24 N 0.72 2.69 -0.05 1.98 2.12 0.57 -0.24 118.70 126.51 1fvj s GLU 24 Ca -0.07 -0.81 0.04 0.00 0.36 0.00 0.00 54.97 54.50 1fvj s GLU 24 Cb -0.16 -2.31 -0.02 0.00 0.26 0.00 0.00 34.13 31.90 1fvj s GLU 24 CO 0.01 0.42 -0.16 -0.06 -0.54 0.00 0.00 175.26 174.93 1fvj s PHE 25 N -0.22 2.65 0.33 5.30 0.08 0.43 -0.35 117.98 126.19 1fvj s PHE 25 Ca -0.01 -0.21 -0.10 0.00 0.12 0.00 0.00 56.93 56.74 1fvj s PHE 25 Cb -0.13 -1.61 0.02 0.00 -0.57 0.00 0.00 43.02 40.72 1fvj s PHE 25 CO 0.03 0.15 0.57 -0.59 -0.10 0.00 0.00 175.22 175.28 1fvj s PHE 26 N -0.70 0.57 -0.07 0.36 -0.71 -0.70 -2.21 117.98 114.52 1fvj s PHE 26 Ca 0.11 -0.97 -0.07 0.00 -1.04 0.00 0.00 56.93 54.97 1fvj s PHE 26 Cb -0.11 0.27 0.02 0.00 -1.21 0.00 0.00 43.02 41.99 1fvj s PHE 26 CO 0.00 -1.22 0.19 0.45 -1.34 0.00 0.00 175.22 173.31 1fvj s SER 27 N -3.12 -0.19 0.00 1.98 0.15 -1.26 -1.30 113.70 109.96 1fvj s SER 27 Ca 0.24 0.36 0.14 0.00 0.70 0.00 0.00 55.95 57.39 1fvj s SER 27 Cb -0.02 0.38 0.62 0.00 -1.71 0.00 0.00 66.02 65.29 1fvj s SER 27 CO 0.14 -0.08 1.45 0.49 1.20 0.00 0.00 173.24 176.45 1fvj n PHE 28 N 2.92 0.00 0.59 3.44 3.72 -1.26 -1.98 117.46 124.89 1fvj n PHE 28 Ca -0.13 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.38 1fvj n PHE 28 Cb 0.59 -0.48 0.01 0.00 -0.94 0.00 0.00 39.48 38.65 1fvj n PHE 28 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1fvj n PHE 29 N -1.48 0.23 -2.62 1.38 3.72 -1.26 -4.57 117.46 112.86 1fvj n PHE 29 Ca 0.04 0.07 -0.43 0.00 -0.05 0.00 0.00 57.45 57.07 1fvj n PHE 29 Cb 0.16 -0.40 -0.02 0.00 -0.94 0.00 0.00 39.48 38.28 1fvj n PHE 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1fvj h PRO 31 N 8.79 -0.66 0.00 0.00 0.11 -1.90 -2.24 132.00 136.10 1fvj h PRO 31 Ca -0.22 0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.92 1fvj h PRO 31 Cb 1.06 0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1fvj h PRO 31 CO 1.09 -0.44 -0.05 -0.92 -0.21 0.00 0.00 178.00 177.47 1fvj h TYR 32 N -0.69 0.00 -0.47 0.65 3.20 -1.93 0.01 116.97 117.74 1fvj h TYR 32 Ca -0.01 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 1fvj h TYR 32 Cb 0.65 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 1fvj h TYR 32 CO -0.25 0.05 -0.09 0.00 -1.64 0.00 0.00 178.16 176.23 1fvj h TYR 34 N 0.76 1.09 -0.31 0.00 5.03 -0.52 -1.57 116.97 121.45 1fvj h TYR 34 Ca 0.13 -0.12 -0.02 0.00 2.58 0.00 0.00 58.73 61.30 1fvj h TYR 34 Cb 0.59 -0.31 -0.01 0.00 1.55 0.00 0.00 36.73 38.55 1fvj h TYR 34 CO 0.03 0.90 0.12 0.37 -1.32 0.00 0.00 178.16 178.26 1fvj h GLN 35 N 0.97 0.46 -0.60 1.82 5.75 -0.87 -0.13 115.11 122.51 1fvj h GLN 35 Ca 0.21 -0.08 0.08 0.00 -0.15 0.00 0.00 58.65 58.71 1fvj h GLN 35 Cb 0.35 -0.07 -0.07 0.00 1.07 0.00 0.00 27.48 28.76 1fvj h GLN 35 CO -0.00 0.47 0.24 0.74 -2.65 0.00 0.00 178.83 177.63 1fvj h PHE 36 N 0.35 0.43 0.10 3.99 -1.00 -0.73 -1.01 116.94 119.06 1fvj h PHE 36 Ca 0.10 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.91 1fvj h PHE 36 Cb 0.18 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 39.64 1fvj h PHE 36 CO -0.01 0.14 -0.05 1.49 -1.61 0.00 0.00 178.31 178.27 1fvj h GLU 37 N 0.44 -0.13 -0.29 1.51 4.57 -1.07 -0.38 114.58 119.23 1fvj h GLU 37 Ca 0.29 0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 58.32 1fvj h GLU 37 Cb 0.33 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1fvj h GLU 37 CO -0.27 -0.09 -0.45 0.93 -1.18 0.00 0.00 179.01 177.95 1fvj h GLU 38 N -0.42 0.82 0.00 1.92 4.39 -1.12 -3.22 114.58 116.95 1fvj h GLU 38 Ca -0.01 -0.49 -0.01 0.00 0.34 0.00 0.00 59.36 59.18 1fvj h GLU 38 Cb 0.10 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1fvj h GLU 38 CO 0.02 1.13 -0.78 0.28 -1.16 0.00 0.00 179.01 178.50 1fvj n VAL 39 N -4.10 1.46 0.15 3.13 0.31 -0.76 -4.64 118.33 113.88 1fvj n VAL 39 Ca -0.04 0.17 0.01 0.00 -0.01 0.00 0.00 64.34 64.47 1fvj n VAL 39 Cb 0.57 -2.36 0.19 0.00 -0.91 0.00 0.00 33.84 31.33 1fvj n VAL 39 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1fvj h LEU 40 N -1.00 0.00 -1.35 7.52 4.07 -1.36 -3.48 115.31 119.71 1fvj h LEU 40 Ca -0.02 0.00 -0.41 0.00 0.08 0.00 0.00 57.88 57.53 1fvj h LEU 40 Cb 0.76 0.00 0.07 0.00 1.08 0.00 0.00 40.66 42.57 1fvj h LEU 40 CO -0.01 0.54 -0.77 1.41 -1.08 0.00 0.00 178.44 178.54 1fvj n HIS 41 N -3.57 -2.28 -0.15 1.13 8.25 -0.26 -4.91 115.22 113.44 1fvj n HIS 41 Ca -0.00 0.92 -0.03 0.00 -0.26 0.00 0.00 57.72 58.34 1fvj n HIS 41 Cb 0.62 -4.57 0.05 0.00 1.12 0.00 0.00 29.99 27.22 1fvj n HIS 41 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1fvj h ILE 42 N -2.11 0.75 -0.03 1.59 1.08 -1.53 -2.38 117.51 114.88 1fvj h ILE 42 Ca -0.59 -0.08 0.01 0.00 -0.39 0.00 0.00 64.86 63.81 1fvj h ILE 42 Cb 1.36 0.50 -0.01 0.00 -3.07 0.00 0.00 36.82 35.60 1fvj h ILE 42 CO 0.58 0.04 -0.04 0.28 -0.69 0.00 0.00 178.15 178.32 1fvj h SER 43 N 0.23 -0.13 -0.84 1.72 0.02 -1.91 -0.46 113.55 112.18 1fvj h SER 43 Ca 0.23 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.26 1fvj h SER 43 Cb 0.30 0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.84 1fvj h SER 43 CO -0.30 -0.06 0.52 0.44 -1.14 0.00 0.00 176.83 176.29 1fvj h ASP 44 N -0.07 0.82 -0.31 3.07 3.32 -1.90 0.31 116.42 121.66 1fvj h ASP 44 Ca 0.03 0.02 -0.14 0.00 0.02 0.00 0.00 57.03 56.96 1fvj h ASP 44 Cb 0.10 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1fvj h ASP 44 CO -0.07 0.53 -0.30 0.78 -1.72 0.00 0.00 179.24 178.46 1fvj h ASN 45 N 0.96 0.87 -0.29 6.45 2.35 -1.12 -1.89 115.58 122.91 1fvj h ASN 45 Ca 0.37 -0.36 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1fvj h ASN 45 Cb 0.16 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1fvj h ASN 45 CO -0.17 1.11 0.05 0.58 -1.65 0.00 0.00 177.43 177.35 1fvj h VAL 46 N 0.71 1.23 -0.88 2.81 2.07 -0.45 -2.96 116.25 118.78 1fvj h VAL 46 Ca 0.08 -0.79 0.05 0.00 0.82 0.00 0.00 66.70 66.85 1fvj h VAL 46 Cb 0.85 1.19 -0.06 0.00 -1.52 0.00 0.00 31.29 31.76 1fvj h VAL 46 CO 0.08 0.26 0.56 0.11 0.02 0.00 0.00 177.57 178.60 1fvj h LYS 47 N 0.30 1.04 0.00 1.57 6.56 -0.83 -1.88 116.57 123.33 1fvj h LYS 47 Ca 0.09 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.61 1fvj h LYS 47 Cb 0.34 -0.23 -0.00 0.00 -0.57 0.00 0.00 32.23 31.76 1fvj h LYS 47 CO 0.01 0.69 -0.03 0.87 -2.06 0.00 0.00 179.45 178.92 1fvj h LYS 48 N 1.07 0.00 -0.01 3.15 1.57 -1.17 -2.79 116.57 118.38 1fvj h LYS 48 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1fvj h LYS 48 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1fvj h LYS 48 CO -0.14 0.03 -0.52 1.63 -0.57 0.00 0.00 179.45 179.88 1fvj n LYS 49 N -4.00 1.54 -2.20 3.15 5.02 -0.77 -4.99 118.16 115.90 1fvj n LYS 49 Ca -0.03 -0.56 -0.40 0.00 -2.02 0.00 0.00 58.31 55.30 1fvj n LYS 49 Cb 0.12 -1.31 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 1fvj n LYS 49 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1fvj s LEU 50 N -2.37 4.44 1.17 -0.35 1.43 -0.81 -4.86 118.68 117.34 1fvj s LEU 50 Ca 0.12 2.58 -0.15 0.00 -1.03 0.00 0.00 54.13 55.64 1fvj s LEU 50 Cb 0.14 -3.66 0.27 0.00 0.03 0.00 0.00 46.19 42.97 1fvj s LEU 50 CO 0.53 -0.46 1.05 -2.16 0.23 0.00 0.00 176.35 175.54 1fvj s PRO 51 N -1.74 -0.94 0.29 1.29 0.04 -1.26 -4.95 135.00 127.73 1fvj s PRO 51 Ca 0.48 0.43 -0.29 0.00 0.04 0.00 0.00 61.00 61.66 1fvj s PRO 51 Cb -0.38 -1.58 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 1fvj s PRO 51 CO 0.50 -3.63 1.45 -1.83 0.04 0.00 0.00 177.00 173.52 1fvj s GLU 52 N -4.89 4.24 0.00 4.56 1.03 -1.26 -3.02 118.70 119.36 1fvj s GLU 52 Ca 0.68 2.37 0.00 0.00 0.03 0.00 0.00 54.97 58.05 1fvj s GLU 52 Cb -0.18 -3.07 0.00 0.00 -0.80 0.00 0.00 34.13 30.08 1fvj s GLU 52 CO 0.60 -0.43 0.00 0.41 -1.33 0.00 0.00 175.26 174.51 1fvj n GLY 53 N 1.64 0.43 3.69 -3.83 0.00 -1.26 -5.02 105.19 100.84 1fvj n GLY 53 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1fvj n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fvj s VAL 54 N -1.87 5.18 0.03 1.61 1.01 -1.17 -5.09 120.40 120.10 1fvj s VAL 54 Ca 0.00 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.14 1fvj s VAL 54 Cb 0.00 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1fvj s VAL 54 CO 0.00 0.44 -0.10 -0.75 0.00 0.00 0.00 175.10 174.69 1fvj s LYS 55 N 0.40 2.37 -0.21 2.72 2.20 -1.26 -4.93 119.74 121.04 1fvj s LYS 55 Ca 0.06 -0.83 -0.09 0.00 -0.36 0.00 0.00 55.97 54.75 1fvj s LYS 55 Cb -0.12 -2.39 -0.05 0.00 -1.51 0.00 0.00 37.83 33.77 1fvj s LYS 55 CO -0.01 0.57 0.12 -1.64 -0.36 0.00 0.00 175.35 174.03 1fvj s MET 56 N -1.53 4.08 -0.06 4.03 -1.94 -1.26 -3.05 119.30 119.57 1fvj s MET 56 Ca 0.17 -0.28 0.04 0.00 -1.71 0.00 0.00 55.69 53.92 1fvj s MET 56 Cb -0.11 -3.39 -0.02 0.00 2.01 0.00 0.00 34.83 33.32 1fvj s MET 56 CO 0.08 0.21 -0.18 0.99 -0.01 0.00 0.00 175.02 176.11 1fvj s THR 57 N 0.58 2.67 -0.13 2.05 2.01 0.21 -5.02 115.64 118.01 1fvj s THR 57 Ca 0.06 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.21 1fvj s THR 57 Cb -0.12 -2.03 0.02 0.00 0.01 0.00 0.00 72.50 70.39 1fvj s THR 57 CO 0.00 0.57 -0.12 -0.75 -0.69 0.00 0.00 174.62 173.64 1fvj s LYS 58 N -0.40 1.97 0.12 4.92 2.20 -1.26 -0.31 119.74 126.98 1fvj s LYS 58 Ca 0.04 -0.43 0.09 0.00 -0.36 0.00 0.00 55.97 55.30 1fvj s LYS 58 Cb -0.12 -1.88 -0.04 0.00 -1.51 0.00 0.00 37.83 34.28 1fvj s LYS 58 CO 0.02 -0.24 -0.15 0.71 -0.36 0.00 0.00 175.35 175.33 1fvj s TYR 59 N 1.55 2.59 0.08 4.03 2.02 0.52 -4.98 117.35 123.16 1fvj s TYR 59 Ca 0.04 -0.24 -0.03 0.00 -0.37 0.00 0.00 57.07 56.48 1fvj s TYR 59 Cb -0.13 -1.35 -0.05 0.00 -0.40 0.00 0.00 41.96 40.03 1fvj s TYR 59 CO -0.09 0.42 0.28 -1.58 -1.57 0.00 0.00 175.55 173.00 1fvj s HIS 60 N -1.25 3.52 0.21 2.71 2.46 -1.26 -1.71 115.29 119.96 1fvj s HIS 60 Ca 0.20 0.42 0.08 0.00 0.47 0.00 0.00 55.06 56.23 1fvj s HIS 60 Cb -0.10 -1.89 -0.04 0.00 -0.13 0.00 0.00 32.58 30.41 1fvj s HIS 60 CO 0.12 0.54 0.03 0.14 -2.47 0.00 0.00 174.74 173.10 1fvj s VAL 61 N -1.51 3.77 -0.12 0.89 -7.23 -0.42 -4.79 120.40 110.98 1fvj s VAL 61 Ca 0.35 -1.55 0.17 0.00 -1.81 0.00 0.00 61.98 59.15 1fvj s VAL 61 Cb -0.13 -2.95 -0.15 0.00 0.56 0.00 0.00 36.38 33.72 1fvj s VAL 61 CO 0.24 -0.22 0.79 0.59 -0.31 0.00 0.00 175.10 176.19 1fvj n ASN 62 N -0.48 0.82 0.00 4.85 3.02 -1.26 -4.52 115.26 117.68 1fvj n ASN 62 Ca -0.08 0.36 0.01 0.00 -0.03 0.00 0.00 54.58 54.84 1fvj n ASN 62 Cb 0.57 0.21 0.07 0.00 -0.61 0.00 0.00 39.78 40.02 1fvj n ASN 62 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1fvj n PHE 63 N -2.88 0.00 -4.76 3.10 1.16 -1.26 -4.55 117.46 108.28 1fvj n PHE 63 Ca -0.10 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.23 1fvj n PHE 63 Cb 0.85 0.00 -0.16 0.00 -1.61 0.00 0.00 39.48 38.56 1fvj n PHE 63 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 1fvj s MET 64 N -2.00 1.48 0.00 3.97 -1.94 -1.26 -4.79 119.30 114.76 1fvj s MET 64 Ca 0.04 -0.56 0.00 0.00 -1.71 0.00 0.00 55.69 53.46 1fvj s MET 64 Cb 0.02 -1.36 0.00 0.00 2.01 0.00 0.00 34.83 35.50 1fvj s MET 64 CO 0.03 0.27 0.00 0.41 -0.01 0.00 0.00 175.02 175.72 1fvj n GLY 65 N 2.96 0.49 7.00 -0.03 0.00 -1.26 -3.86 105.19 110.49 1fvj n GLY 65 Ca -0.17 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1fvj n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fvj n GLY 66 N -2.85 3.48 0.18 -0.02 0.00 -1.26 -2.36 105.19 102.36 1fvj n GLY 66 Ca 0.00 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 45.95 1fvj n GLY 66 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1fvj h ASP 67 N 1.12 0.00 0.31 1.61 3.58 -1.92 -2.75 116.42 118.37 1fvj h ASP 67 Ca 0.00 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 1fvj h ASP 67 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1fvj h ASP 67 CO 0.00 0.39 -0.46 0.25 -2.88 0.00 0.00 179.24 176.54 1fvj h LEU 68 N 0.00 0.19 -1.73 2.28 6.46 -1.81 -2.60 115.31 118.10 1fvj h LEU 68 Ca -0.00 -0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.65 1fvj h LEU 68 Cb 0.95 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.82 1fvj h LEU 68 CO 0.05 0.63 -0.07 1.23 -0.62 0.00 0.00 178.44 179.66 1fvj h GLY 69 N 1.32 0.08 0.84 3.75 0.00 -1.33 -0.61 103.07 107.12 1fvj h GLY 69 Ca 0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 1fvj h GLY 69 CO 0.07 0.04 -0.22 1.70 0.00 0.00 0.00 176.54 178.12 1fvj h LYS 70 N 0.08 0.50 -0.19 4.80 1.63 -1.52 -2.25 116.57 119.62 1fvj h LYS 70 Ca 0.02 -0.27 -0.05 0.00 -0.85 0.00 0.00 60.65 59.49 1fvj h LYS 70 Cb 0.18 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 1fvj h LYS 70 CO 0.01 0.86 -0.11 -0.44 -3.45 0.00 0.00 179.45 176.32 1fvj h ASP 71 N 0.17 0.29 -0.01 4.20 3.32 -1.17 -1.79 116.42 121.42 1fvj h ASP 71 Ca 0.03 -0.06 -0.15 0.00 0.02 0.00 0.00 57.03 56.87 1fvj h ASP 71 Cb 0.78 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1fvj h ASP 71 CO 0.05 0.44 -0.49 -0.07 -1.72 0.00 0.00 179.24 177.45 1fvj h LEU 72 N 0.29 0.62 -0.87 1.55 3.38 -1.05 0.21 115.31 119.43 1fvj h LEU 72 Ca 0.06 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 1fvj h LEU 72 Cb 0.38 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1fvj h LEU 72 CO 0.02 1.00 0.05 0.74 0.09 0.00 0.00 178.44 180.34 1fvj h THR 73 N 0.45 1.25 -0.16 0.22 2.02 -0.80 0.11 112.91 116.00 1fvj h THR 73 Ca 0.02 -0.99 -0.19 0.00 0.77 0.00 0.00 66.41 66.02 1fvj h THR 73 Cb 1.02 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1fvj h THR 73 CO 0.09 0.36 -0.68 -0.61 0.37 0.00 0.00 175.52 175.06 1fvj h GLN 74 N 0.83 0.63 -0.17 6.66 4.15 -0.97 -2.42 115.11 123.82 1fvj h GLN 74 Ca 0.17 -0.47 -0.10 0.00 0.77 0.00 0.00 58.65 59.02 1fvj h GLN 74 Cb 0.43 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 1fvj h GLN 74 CO 0.02 1.09 -0.32 0.00 -1.93 0.00 0.00 178.83 177.68 1fvj h ALA 75 N 0.79 1.13 -0.35 3.38 0.00 -0.28 -1.61 119.26 122.33 1fvj h ALA 75 Ca -0.02 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1fvj h ALA 75 Cb 1.27 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1fvj h ALA 75 CO 0.13 0.56 -0.11 2.35 0.00 0.00 0.00 179.25 182.17 1fvj h TRP 76 N 0.30 0.66 -0.53 0.00 2.91 -0.65 -0.02 115.95 118.63 1fvj h TRP 76 Ca 0.04 -0.11 -0.09 0.00 1.13 0.00 0.00 58.89 59.86 1fvj h TRP 76 Cb 0.72 -0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 29.17 1fvj h TRP 76 CO 0.02 0.70 -0.04 0.00 -1.03 0.00 0.00 178.44 178.09 1fvj h ALA 77 N 1.32 0.94 -0.75 2.65 0.00 -0.90 -0.77 119.26 121.75 1fvj h ALA 77 Ca 0.10 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1fvj h ALA 77 Cb 0.53 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1fvj h ALA 77 CO 0.03 0.63 0.25 0.28 0.00 0.00 0.00 179.25 180.44 1fvj h VAL 78 N 0.85 1.26 -0.45 0.00 2.07 -0.35 0.61 116.25 120.23 1fvj h VAL 78 Ca 0.15 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1fvj h VAL 78 Cb 0.55 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1fvj h VAL 78 CO 0.03 0.35 0.18 0.00 0.02 0.00 0.00 177.57 178.15 1fvj h ALA 79 N 1.15 0.59 -0.33 1.67 0.00 -0.48 0.42 119.26 122.29 1fvj h ALA 79 Ca 0.24 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1fvj h ALA 79 Cb 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1fvj h ALA 79 CO -0.01 0.20 0.06 0.52 0.00 0.00 0.00 179.25 180.01 1fvj h MET 80 N 0.59 0.54 -0.33 0.00 2.86 -0.82 0.72 114.93 118.48 1fvj h MET 80 Ca 0.15 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1fvj h MET 80 Cb 0.20 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 1fvj h MET 80 CO -0.01 0.62 0.20 0.00 1.06 0.00 0.00 176.91 178.78 1fvj h ALA 81 N 0.89 0.42 0.00 6.32 0.00 -0.64 -2.39 119.26 123.86 1fvj h ALA 81 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1fvj h ALA 81 Cb 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1fvj h ALA 81 CO 0.01 -0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.45 1fvj n LEU 82 N -4.83 0.41 -0.96 0.00 4.77 0.12 -4.94 117.00 111.57 1fvj n LEU 82 Ca -0.01 0.54 -0.08 0.00 -0.03 0.00 0.00 56.01 56.43 1fvj n LEU 82 Cb 0.05 -0.41 -0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1fvj n LEU 82 CO 0.35 -0.10 -0.09 0.61 -1.33 0.00 0.00 177.39 176.82 1fvj n GLY 83 N 1.35 0.06 1.15 -0.72 0.00 0.12 -4.95 105.19 102.19 1fvj n GLY 83 Ca 0.06 -0.54 -0.00 0.00 0.00 0.00 0.00 46.02 45.55 1fvj n GLY 83 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1fvj n VAL 84 N -3.97 2.50 -0.24 1.61 0.24 -0.45 -4.77 118.33 113.24 1fvj n VAL 84 Ca -0.09 -2.27 0.05 0.00 -2.04 0.00 0.00 64.34 59.99 1fvj n VAL 84 Cb 0.57 -0.30 0.17 0.00 -1.47 0.00 0.00 33.84 32.80 1fvj n VAL 84 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1fvj h GLU 85 N 1.41 0.24 0.00 7.34 3.07 -1.93 -0.85 114.58 123.86 1fvj h GLU 85 Ca 0.15 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1fvj h GLU 85 Cb 1.67 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.53 1fvj h GLU 85 CO 0.38 0.16 0.00 0.38 -1.40 0.00 0.00 179.01 178.53 1fvj h ASP 86 N 0.25 0.00 0.52 1.42 2.03 -1.95 -0.93 116.42 117.75 1fvj h ASP 86 Ca 0.40 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 56.42 1fvj h ASP 86 Cb 0.68 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.13 1fvj h ASP 86 CO -0.51 0.00 -1.67 0.11 -1.03 0.00 0.00 179.24 176.13 1fvj h LYS 87 N 0.00 0.00 0.00 4.15 1.79 -1.54 -3.41 116.57 117.56 1fvj h LYS 87 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1fvj h LYS 87 Cb 0.42 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1fvj h LYS 87 CO 0.00 0.50 -1.29 1.33 -1.08 0.00 0.00 179.45 178.91 1fvj n VAL 88 N -3.05 0.00 0.06 0.50 0.24 -0.94 -4.61 118.33 110.53 1fvj n VAL 88 Ca -0.16 -0.27 -0.13 0.00 -2.04 0.00 0.00 64.34 61.74 1fvj n VAL 88 Cb 1.04 0.48 -0.06 0.00 -1.47 0.00 0.00 33.84 33.83 1fvj n VAL 88 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1fvj h THR 89 N 0.00 0.23 -0.28 3.34 2.02 -1.41 -1.54 112.91 115.27 1fvj h THR 89 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1fvj h THR 89 Cb 0.54 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1fvj h THR 89 CO 0.00 0.00 -0.03 0.58 0.37 0.00 0.00 175.52 176.44 1fvj h VAL 90 N -0.52 1.27 -0.52 3.16 2.07 -1.86 -2.16 116.25 117.68 1fvj h VAL 90 Ca 0.06 -1.00 0.06 0.00 0.82 0.00 0.00 66.70 66.64 1fvj h VAL 90 Cb 0.60 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1fvj h VAL 90 CO -0.29 0.32 0.35 -0.65 0.02 0.00 0.00 177.57 177.32 1fvj h PRO 91 N 0.29 0.45 -0.13 1.57 0.11 -1.78 0.19 132.00 132.70 1fvj h PRO 91 Ca 0.08 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.00 1fvj h PRO 91 Cb 0.48 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.49 1fvj h PRO 91 CO 0.02 0.30 -0.54 -0.07 -0.21 0.00 0.00 178.00 177.50 1fvj h LEU 92 N 0.46 0.69 -0.30 2.35 3.38 -1.14 -0.37 115.31 120.39 1fvj h LEU 92 Ca 0.23 -0.63 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 1fvj h LEU 92 Cb 0.31 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1fvj h LEU 92 CO -0.06 1.21 0.17 -0.26 0.09 0.00 0.00 178.44 179.59 1fvj h PHE 93 N 0.23 0.40 -0.27 1.13 0.04 -0.80 -1.95 116.94 115.73 1fvj h PHE 93 Ca -0.03 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.71 1fvj h PHE 93 Cb 1.18 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 39.18 1fvj h PHE 93 CO 0.11 0.31 0.06 0.93 -0.60 0.00 0.00 178.31 179.12 1fvj h GLU 94 N 0.37 0.43 -0.39 1.51 5.08 -1.01 -0.70 114.58 119.87 1fvj h GLU 94 Ca 0.11 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1fvj h GLU 94 Cb 0.04 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1fvj h GLU 94 CO -0.02 0.53 0.19 0.78 -1.00 0.00 0.00 179.01 179.49 1fvj h GLY 95 N 0.26 0.58 0.01 -3.84 0.00 -0.93 0.29 103.07 99.44 1fvj h GLY 95 Ca 0.08 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 1fvj h GLY 95 CO 0.00 0.25 -0.21 -2.08 0.00 0.00 0.00 176.54 174.50 1fvj h VAL 96 N 0.55 1.66 0.04 4.60 2.07 -1.25 0.17 116.25 124.08 1fvj h VAL 96 Ca 0.14 -2.33 -0.34 0.00 0.82 0.00 0.00 66.70 64.99 1fvj h VAL 96 Cb 0.06 3.22 -0.04 0.00 -1.52 0.00 0.00 31.29 33.01 1fvj h VAL 96 CO -0.02 0.57 -1.89 0.00 0.02 0.00 0.00 177.57 176.25 1fvj n GLN 97 N -4.57 0.64 0.00 1.57 6.02 -0.28 -4.30 117.38 116.45 1fvj n GLN 97 Ca -0.13 0.37 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 1fvj n GLN 97 Cb 0.52 -1.66 0.00 0.00 1.02 0.00 0.00 30.24 30.12 1fvj n GLN 97 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1fvj n LYS 98 N -3.98 0.00 0.21 -1.09 4.81 0.66 -4.52 118.16 114.25 1fvj n LYS 98 Ca -0.39 0.29 0.10 0.00 -0.87 0.00 0.00 58.31 57.44 1fvj n LYS 98 Cb 0.87 -0.77 0.32 0.00 0.02 0.00 0.00 35.03 35.47 1fvj n LYS 98 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 1fvj h THR 99 N 0.00 0.42 -6.08 3.15 1.35 -0.85 -3.48 112.91 107.42 1fvj h THR 99 Ca 0.00 -1.27 -0.42 0.00 -0.55 0.00 0.00 66.41 64.17 1fvj h THR 99 Cb 0.00 1.95 0.06 0.00 -1.73 0.00 0.00 68.15 68.42 1fvj h THR 99 CO 0.00 0.20 -0.84 0.00 -0.25 0.00 0.00 175.52 174.64 1fvj n GLN 100 N -3.24 -4.65 0.00 4.72 6.02 -0.74 -4.90 117.38 114.59 1fvj n GLN 100 Ca 0.02 0.62 0.10 0.00 -0.01 0.00 0.00 57.00 57.72 1fvj n GLN 100 Cb 0.51 -5.14 -0.01 0.00 1.02 0.00 0.00 30.24 26.62 1fvj n GLN 100 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1fvj n THR 101 N -4.24 0.00 -3.56 5.09 -2.24 0.51 -4.78 114.28 105.06 1fvj n THR 101 Ca -0.29 -0.28 -0.41 0.00 -2.27 0.00 0.00 64.05 60.81 1fvj n THR 101 Cb 0.67 1.21 -0.09 0.00 -2.10 0.00 0.00 70.33 70.03 1fvj n THR 101 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1fvj s ILE 102 N -2.25 4.27 0.00 2.28 1.01 -0.83 -4.85 121.20 120.83 1fvj s ILE 102 Ca 0.15 -1.64 0.00 0.00 0.00 0.00 0.00 60.65 59.16 1fvj s ILE 102 Cb 0.16 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.88 1fvj s ILE 102 CO 0.51 -0.69 0.22 0.54 0.00 0.00 0.00 174.94 175.52 1fvj n ARG 103 N 4.93 3.30 -3.83 2.79 5.12 -1.26 -4.66 116.66 123.04 1fvj n ARG 103 Ca -0.09 -0.22 -0.07 0.00 -1.93 0.00 0.00 57.85 55.54 1fvj n ARG 103 Cb 0.41 -0.71 -0.01 0.00 -1.16 0.00 0.00 32.46 31.00 1fvj n ARG 103 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1fvj s SER 104 N -0.53 -0.16 0.27 0.55 1.04 -1.26 -5.05 113.70 108.55 1fvj s SER 104 Ca 0.00 -0.74 -0.00 0.00 0.48 0.00 0.00 55.95 55.69 1fvj s SER 104 Cb 0.00 0.72 0.55 0.00 0.10 0.00 0.00 66.02 67.40 1fvj s SER 104 CO 0.00 -1.37 1.77 0.00 0.98 0.00 0.00 173.24 174.61 1fvj h ALA 105 N 2.00 1.33 0.00 5.32 0.00 -1.98 -1.96 119.26 123.97 1fvj h ALA 105 Ca -0.24 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1fvj h ALA 105 Cb 1.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1fvj h ALA 105 CO 0.29 -0.07 -0.21 0.66 0.00 0.00 0.00 179.25 179.92 1fvj h SER 106 N 0.66 0.00 0.11 0.00 4.64 -2.01 -2.21 113.55 114.74 1fvj h SER 106 Ca 0.48 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.71 1fvj h SER 106 Cb 0.67 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 1fvj h SER 106 CO -0.36 0.21 -0.30 0.44 -0.87 0.00 0.00 176.83 175.95 1fvj h ASP 107 N 0.00 0.30 -0.49 4.97 3.32 -1.68 -2.54 116.42 120.29 1fvj h ASP 107 Ca -0.00 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.89 1fvj h ASP 107 Cb 0.37 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1fvj h ASP 107 CO 0.03 0.59 0.07 0.40 -1.72 0.00 0.00 179.24 178.62 1fvj h ILE 108 N 0.26 1.25 -0.77 0.35 2.04 -1.38 -2.78 117.51 116.47 1fvj h ILE 108 Ca 0.04 -0.94 0.04 0.00 1.00 0.00 0.00 64.86 65.00 1fvj h ILE 108 Cb 0.67 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 1fvj h ILE 108 CO 0.05 0.33 0.48 -0.09 0.00 0.00 0.00 178.15 178.92 1fvj h ARG 109 N 0.70 0.89 -0.90 2.37 2.43 -1.34 -2.10 114.38 116.43 1fvj h ARG 109 Ca 0.15 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.31 1fvj h ARG 109 Cb 0.40 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.70 1fvj h ARG 109 CO 0.01 0.59 0.59 -0.44 -1.51 0.00 0.00 179.97 179.21 1fvj h ASP 110 N 0.92 0.95 -0.39 -3.80 3.32 -1.21 -1.58 116.42 114.64 1fvj h ASP 110 Ca 0.32 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.40 1fvj h ASP 110 Cb 0.07 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.37 1fvj h ASP 110 CO -0.13 0.64 0.16 0.58 -1.72 0.00 0.00 179.24 178.77 1fvj h VAL 111 N 1.09 0.93 -0.44 -1.35 2.07 -1.19 -0.78 116.25 116.58 1fvj h VAL 111 Ca 0.37 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.73 1fvj h VAL 111 Cb 0.08 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1fvj h VAL 111 CO -0.12 0.06 0.10 -0.26 0.02 0.00 0.00 177.57 177.38 1fvj h PHE 112 N 0.34 0.74 -0.90 1.57 -1.00 -1.28 -2.35 116.94 114.06 1fvj h PHE 112 Ca 0.17 -0.09 0.01 0.00 2.81 0.00 0.00 57.97 60.87 1fvj h PHE 112 Cb 0.12 -0.21 -0.04 0.00 3.61 0.00 0.00 35.95 39.43 1fvj h PHE 112 CO -0.13 0.69 0.58 0.82 -1.61 0.00 0.00 178.31 178.67 1fvj h ILE 113 N 0.57 1.24 -0.04 -0.55 2.04 -1.01 -1.44 117.51 118.32 1fvj h ILE 113 Ca 0.14 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 1fvj h ILE 113 Cb 0.32 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 1fvj h ILE 113 CO 0.00 0.23 -0.23 0.78 0.00 0.00 0.00 178.15 178.93 1fvj h ASN 114 N 1.23 0.07 0.61 1.72 -0.26 -0.89 -1.36 115.58 116.69 1fvj h ASN 114 Ca 0.33 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 56.05 1fvj h ASN 114 Cb -0.12 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.12 1fvj h ASN 114 CO -0.07 0.31 0.00 0.00 -1.06 0.00 0.00 177.43 176.61 1fvj n ALA 115 N -2.49 2.23 0.00 -0.83 0.00 -0.60 -4.88 120.51 113.94 1fvj n ALA 115 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1fvj n ALA 115 Cb 0.30 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1fvj n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fvj n GLY 116 N 0.94 1.08 3.72 0.00 0.00 -0.51 -5.09 105.19 105.32 1fvj n GLY 116 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1fvj n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fvj s ILE 117 N -2.00 5.08 0.39 -0.61 -1.09 -0.85 -5.02 121.20 117.10 1fvj s ILE 117 Ca 0.00 1.25 -0.26 0.00 -2.23 0.00 0.00 60.65 59.41 1fvj s ILE 117 Cb 0.00 -3.95 -0.09 0.00 -1.58 0.00 0.00 42.46 36.84 1fvj s ILE 117 CO 0.00 0.30 1.20 -0.54 -1.23 0.00 0.00 174.94 174.67 1fvj s LYS 118 N 0.62 4.10 0.22 2.79 1.02 -1.26 -3.86 119.74 123.37 1fvj s LYS 118 Ca 0.33 1.93 -0.08 0.00 0.02 0.00 0.00 55.97 58.17 1fvj s LYS 118 Cb -0.17 -2.76 0.26 0.00 -0.52 0.00 0.00 37.83 34.64 1fvj s LYS 118 CO 0.15 -0.31 1.83 0.78 -0.92 0.00 0.00 175.35 176.88 1fvj h GLY 119 N 2.78 1.08 0.72 -3.33 0.00 -1.96 -0.95 103.07 101.42 1fvj h GLY 119 Ca -0.49 -0.31 0.05 0.00 0.00 0.00 0.00 47.33 46.58 1fvj h GLY 119 CO 0.63 0.21 0.27 0.83 0.00 0.00 0.00 176.54 178.48 1fvj h GLU 120 N 0.80 0.51 -0.63 4.80 3.07 -1.99 0.13 114.58 121.27 1fvj h GLU 120 Ca 0.32 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 59.09 1fvj h GLU 120 Cb 0.16 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 1fvj h GLU 120 CO -0.17 0.34 0.17 1.49 -1.40 0.00 0.00 179.01 179.44 1fvj h GLU 121 N 0.53 1.00 0.14 2.33 4.57 -1.77 -1.15 114.58 120.23 1fvj h GLU 121 Ca 0.23 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1fvj h GLU 121 Cb 0.14 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1fvj h GLU 121 CO -0.16 0.89 -0.07 -0.92 -1.18 0.00 0.00 179.01 177.58 1fvj h TYR 122 N 0.92 -0.17 -0.82 0.92 3.20 -0.57 -1.59 116.97 118.85 1fvj h TYR 122 Ca 0.20 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.11 1fvj h TYR 122 Cb 0.33 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.60 1fvj h TYR 122 CO 0.02 0.02 0.52 -0.44 -1.64 0.00 0.00 178.16 176.65 1fvj h ASP 123 N -0.34 0.84 -0.36 -2.11 3.32 -0.89 0.59 116.42 117.48 1fvj h ASP 123 Ca -0.02 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1fvj h ASP 123 Cb 0.27 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1fvj h ASP 123 CO 0.03 0.57 0.16 0.00 -1.72 0.00 0.00 179.24 178.28 1fvj h ALA 124 N 1.36 0.46 -0.66 3.45 0.00 -1.11 -2.78 119.26 119.99 1fvj h ALA 124 Ca 0.34 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1fvj h ALA 124 Cb 0.06 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1fvj h ALA 124 CO -0.13 0.03 0.14 0.00 0.00 0.00 0.00 179.25 179.29 1fvj h ALA 125 N 1.01 0.87 -0.99 0.00 0.00 -0.82 -2.19 119.26 117.15 1fvj h ALA 125 Ca 0.12 -0.25 0.13 0.00 0.00 0.00 0.00 54.91 54.91 1fvj h ALA 125 Cb 0.14 -0.25 -0.09 0.00 0.00 0.00 0.00 17.79 17.59 1fvj h ALA 125 CO -0.01 0.61 0.62 2.35 0.00 0.00 0.00 179.25 182.82 1fvj h TRP 126 N 0.99 1.10 -0.06 0.00 2.91 -0.67 -1.07 115.95 119.15 1fvj h TRP 126 Ca 0.20 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.26 1fvj h TRP 126 Cb 0.40 -0.35 0.00 0.00 -0.51 0.00 0.00 29.16 28.70 1fvj h TRP 126 CO 0.03 0.41 0.00 0.09 -1.03 0.00 0.00 178.44 177.94 1fvj n ASN 127 N -4.63 2.19 -4.73 2.65 3.02 -1.07 -4.79 115.26 107.91 1fvj n ASN 127 Ca 0.19 -1.73 -0.30 0.00 -0.03 0.00 0.00 54.58 52.71 1fvj n ASN 127 Cb 0.40 -0.03 0.12 0.00 -0.61 0.00 0.00 39.78 39.66 1fvj n ASN 127 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1fvj s SER 128 N -1.92 3.83 0.18 6.41 1.04 -0.41 -4.92 113.70 117.91 1fvj s SER 128 Ca 0.34 1.71 -0.01 0.00 0.48 0.00 0.00 55.95 58.47 1fvj s SER 128 Cb 0.20 -2.38 0.07 0.00 0.10 0.00 0.00 66.02 64.02 1fvj s SER 128 CO 0.31 -2.45 1.44 0.15 0.98 0.00 0.00 173.24 173.68 1fvj h PHE 129 N -1.42 0.55 -0.26 5.02 3.57 -1.91 -2.51 116.94 119.99 1fvj h PHE 129 Ca -0.46 -0.24 0.02 0.00 3.53 0.00 0.00 57.97 60.82 1fvj h PHE 129 Cb 1.26 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 1fvj h PHE 129 CO 0.50 0.99 0.12 0.28 -2.23 0.00 0.00 178.31 177.96 1fvj h VAL 130 N 0.29 0.97 -0.17 1.41 2.07 -1.93 -1.57 116.25 117.32 1fvj h VAL 130 Ca -0.03 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1fvj h VAL 130 Cb 1.28 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1fvj h VAL 130 CO 0.12 0.05 0.04 0.58 0.02 0.00 0.00 177.57 178.38 1fvj h VAL 131 N 0.25 1.21 -0.54 2.57 2.07 -1.78 -1.48 116.25 118.56 1fvj h VAL 131 Ca 0.11 -0.66 0.07 0.00 0.82 0.00 0.00 66.70 67.03 1fvj h VAL 131 Cb 0.05 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1fvj h VAL 131 CO -0.09 0.20 0.36 0.11 0.02 0.00 0.00 177.57 178.17 1fvj h LYS 132 N 0.08 0.45 -0.02 1.57 6.56 -1.30 0.10 116.57 124.02 1fvj h LYS 132 Ca 0.05 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.60 1fvj h LYS 132 Cb 0.28 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 31.83 1fvj h LYS 132 CO 0.00 0.30 -0.04 1.03 -2.06 0.00 0.00 179.45 178.68 1fvj h SER 133 N 0.46 0.06 -0.96 0.86 0.87 -1.07 -2.77 113.55 111.01 1fvj h SER 133 Ca 0.24 -0.58 0.09 0.00 -1.23 0.00 0.00 61.79 60.31 1fvj h SER 133 Cb 0.33 -0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 62.20 1fvj h SER 133 CO -0.06 0.63 0.60 -0.07 -0.53 0.00 0.00 176.83 177.40 1fvj h LEU 134 N -0.51 0.91 -1.06 2.23 3.38 -0.37 0.11 115.31 120.00 1fvj h LEU 134 Ca 0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1fvj h LEU 134 Cb 0.62 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1fvj h LEU 134 CO 0.01 0.53 0.44 0.58 0.09 0.00 0.00 178.44 180.08 1fvj h VAL 135 N 1.01 1.23 -0.28 1.22 2.07 -1.03 -1.11 116.25 119.35 1fvj h VAL 135 Ca 0.45 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 1fvj h VAL 135 Cb 0.34 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1fvj h VAL 135 CO -0.23 0.26 -0.05 0.00 0.02 0.00 0.00 177.57 177.57 1fvj h ALA 136 N 1.38 0.39 -0.41 1.67 0.00 -0.57 -2.45 119.26 119.27 1fvj h ALA 136 Ca 0.28 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1fvj h ALA 136 Cb 0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1fvj h ALA 136 CO -0.05 0.19 0.25 1.96 0.00 0.00 0.00 179.25 181.61 1fvj h GLN 137 N 0.30 0.49 0.12 0.00 4.20 -0.52 -0.28 115.11 119.43 1fvj h GLN 137 Ca 0.07 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1fvj h GLN 137 Cb 0.52 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1fvj h GLN 137 CO 0.03 0.33 -0.09 1.96 -0.67 0.00 0.00 178.83 180.38 1fvj h GLN 138 N 0.51 -0.21 -0.97 1.46 4.20 -1.18 0.54 115.11 119.45 1fvj h GLN 138 Ca 0.16 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.90 1fvj h GLN 138 Cb -0.01 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.77 1fvj h GLN 138 CO -0.06 -0.14 0.64 0.93 -0.67 0.00 0.00 178.83 179.52 1fvj h GLU 139 N -0.22 1.26 0.11 1.46 5.08 -1.28 -2.37 114.58 118.61 1fvj h GLU 139 Ca -0.00 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1fvj h GLU 139 Cb 0.20 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1fvj h GLU 139 CO -0.01 0.83 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.57 1fvj h LYS 140 N 1.30 -0.14 -0.84 2.33 3.64 -0.77 -2.70 116.57 119.39 1fvj h LYS 140 Ca 0.36 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.89 1fvj h LYS 140 Cb -0.12 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 31.64 1fvj h LYS 140 CO -0.09 0.16 0.43 0.00 -2.27 0.00 0.00 179.45 177.69 1fvj h ALA 141 N 0.41 1.25 -0.76 5.00 0.00 -0.70 0.17 119.26 124.62 1fvj h ALA 141 Ca -0.01 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1fvj h ALA 141 Cb 0.37 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1fvj h ALA 141 CO 0.02 -0.07 0.38 0.00 0.00 0.00 0.00 179.25 179.58 1fvj h ALA 142 N 1.54 0.98 -0.46 0.00 0.00 -1.39 -2.55 119.26 117.38 1fvj h ALA 142 Ca 0.45 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 1fvj h ALA 142 Cb 0.61 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1fvj h ALA 142 CO -0.35 0.53 0.04 0.00 0.00 0.00 0.00 179.25 179.47 1fvj h ALA 143 N 1.19 0.61 -0.78 0.00 0.00 -0.61 -1.08 119.26 118.59 1fvj h ALA 143 Ca 0.26 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1fvj h ALA 143 Cb 0.10 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1fvj h ALA 143 CO -0.04 0.37 0.51 -0.44 0.00 0.00 0.00 179.25 179.66 1fvj h ASP 144 N 0.63 0.79 0.03 0.00 3.32 -0.48 -1.44 116.42 119.26 1fvj h ASP 144 Ca 0.13 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1fvj h ASP 144 Cb 0.44 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1fvj h ASP 144 CO 0.02 0.53 -0.13 1.33 -1.72 0.00 0.00 179.24 179.26 1fvj n VAL 145 N -4.47 0.00 -3.58 -1.35 0.24 -0.99 -4.85 118.33 103.34 1fvj n VAL 145 Ca 0.11 -0.30 -0.20 0.00 -2.04 0.00 0.00 64.34 61.90 1fvj n VAL 145 Cb 0.16 0.91 0.05 0.00 -1.47 0.00 0.00 33.84 33.50 1fvj n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fvj n GLN 146 N 0.34 -4.95 -1.81 7.34 6.02 -0.54 -4.89 117.38 118.90 1fvj n GLN 146 Ca 0.15 0.70 -0.42 0.00 -0.01 0.00 0.00 57.00 57.42 1fvj n GLN 146 Cb 0.45 -5.38 -0.03 0.00 1.02 0.00 0.00 30.24 26.30 1fvj n GLN 146 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1fvj s LEU 147 N -6.45 4.38 -0.09 1.08 2.96 -0.51 -4.90 118.68 115.15 1fvj s LEU 147 Ca 0.07 2.72 0.10 0.00 -0.22 0.00 0.00 54.13 56.81 1fvj s LEU 147 Cb -0.02 -3.58 -0.15 0.00 0.50 0.00 0.00 46.19 42.94 1fvj s LEU 147 CO 0.78 -0.93 0.09 -2.11 -1.32 0.00 0.00 176.35 172.86 1fvj n ARG 148 N 4.65 1.78 -3.64 1.98 1.85 -1.26 -4.98 116.66 117.03 1fvj n ARG 148 Ca 0.16 -0.03 -0.10 0.00 -1.00 0.00 0.00 57.85 56.88 1fvj n ARG 148 Cb 0.38 -1.29 -0.04 0.00 -1.05 0.00 0.00 32.46 30.46 1fvj n ARG 148 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1fvj s GLY 149 N -4.15 -0.25 0.18 2.89 0.00 -1.26 -5.15 107.32 99.58 1fvj s GLY 149 Ca -0.05 -0.04 0.08 0.00 0.00 0.00 0.00 44.72 44.71 1fvj s GLY 149 CO 0.47 -0.22 -0.17 -1.34 0.00 0.00 0.00 173.10 171.83 1fvj s VAL 150 N -3.82 1.78 0.75 1.40 -7.23 -1.26 -4.45 120.40 107.56 1fvj s VAL 150 Ca 0.05 -2.01 -0.11 0.00 -1.81 0.00 0.00 61.98 58.10 1fvj s VAL 150 Cb 0.00 -1.89 0.04 0.00 0.56 0.00 0.00 36.38 35.09 1fvj s VAL 150 CO -0.09 -0.41 1.08 -2.16 -0.31 0.00 0.00 175.10 173.21 1fvj s PRO 151 N -3.07 2.52 -0.16 4.82 0.04 -1.26 -4.88 135.00 133.00 1fvj s PRO 151 Ca 0.18 0.83 -0.22 0.00 0.04 0.00 0.00 61.00 61.84 1fvj s PRO 151 Cb -0.04 -1.95 0.05 0.00 0.04 0.00 0.00 34.50 32.60 1fvj s PRO 151 CO 0.07 -1.37 0.56 0.00 0.04 0.00 0.00 177.00 176.30 1fvj s ALA 152 N -3.08 -1.41 -0.05 8.56 0.00 -0.94 -4.98 121.76 119.86 1fvj s ALA 152 Ca 0.59 1.40 0.01 0.00 0.00 0.00 0.00 51.96 53.96 1fvj s ALA 152 Cb -0.14 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.37 1fvj s ALA 152 CO 0.55 -0.29 -0.06 1.41 0.00 0.00 0.00 175.76 177.37 1fvj s MET 153 N -0.21 0.99 0.09 0.00 1.75 -1.26 -0.43 119.30 120.23 1fvj s MET 153 Ca -0.04 -0.17 0.09 0.00 -1.25 0.00 0.00 55.69 54.32 1fvj s MET 153 Cb -0.03 -0.93 -0.04 0.00 2.84 0.00 0.00 34.83 36.67 1fvj s MET 153 CO 0.03 -0.04 -0.23 -0.06 -0.65 0.00 0.00 175.02 174.07 1fvj s PHE 154 N 0.79 2.42 -0.10 4.11 0.40 0.67 -1.25 117.98 125.03 1fvj s PHE 154 Ca -0.12 -0.33 0.03 0.00 -0.60 0.00 0.00 56.93 55.92 1fvj s PHE 154 Cb -0.14 -1.35 0.00 0.00 0.51 0.00 0.00 43.02 42.04 1fvj s PHE 154 CO 0.01 0.29 -0.20 0.08 0.70 0.00 0.00 175.22 176.09 1fvj s VAL 155 N -1.00 1.80 -1.25 -0.44 1.01 0.91 -1.00 120.40 120.44 1fvj s VAL 155 Ca 0.15 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1fvj s VAL 155 Cb -0.10 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1fvj s VAL 155 CO 0.06 0.50 0.00 0.59 0.00 0.00 0.00 175.10 176.25 1fvj n ASN 156 N 3.67 -4.19 0.00 3.32 3.02 0.11 -1.27 115.26 119.93 1fvj n ASN 156 Ca -0.20 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1fvj n ASN 156 Cb 0.52 -3.50 0.00 0.00 -0.61 0.00 0.00 39.78 36.19 1fvj n ASN 156 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fvj n GLY 157 N -0.04 0.45 0.07 7.41 0.00 -1.26 -4.79 105.19 107.04 1fvj n GLY 157 Ca -0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 1fvj n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fvj n LYS 158 N -1.83 1.16 -4.31 1.61 5.02 -0.39 -1.91 118.16 117.52 1fvj n LYS 158 Ca 0.00 0.04 -0.27 0.00 -2.02 0.00 0.00 58.31 56.07 1fvj n LYS 158 Cb 0.04 -1.31 -0.10 0.00 -0.02 0.00 0.00 35.03 33.65 1fvj n LYS 158 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1fvj s TYR 159 N -2.30 2.58 -0.05 2.13 2.02 -0.67 -0.53 117.35 120.53 1fvj s TYR 159 Ca -0.14 -0.24 0.03 0.00 -0.37 0.00 0.00 57.07 56.35 1fvj s TYR 159 Cb 0.04 -1.27 0.01 0.00 -0.40 0.00 0.00 41.96 40.34 1fvj s TYR 159 CO 0.42 0.51 -0.14 -1.14 -1.57 0.00 0.00 175.55 173.63 1fvj s GLN 160 N -2.78 1.67 0.37 -0.62 0.74 -0.39 -0.06 119.66 118.58 1fvj s GLN 160 Ca 0.24 -0.47 -0.26 0.00 0.05 0.00 0.00 55.36 54.92 1fvj s GLN 160 Cb -0.09 -1.41 -0.09 0.00 1.10 0.00 0.00 33.01 32.52 1fvj s GLN 160 CO 0.14 0.11 1.15 -0.51 -0.55 0.00 0.00 175.29 175.63 1fvj s LEU 161 N 0.40 4.28 -0.54 3.68 1.02 -0.38 -0.85 118.68 126.28 1fvj s LEU 161 Ca -0.10 2.31 0.04 0.00 0.02 0.00 0.00 54.13 56.40 1fvj s LEU 161 Cb -0.14 -3.93 0.14 0.00 0.02 0.00 0.00 46.19 42.28 1fvj s LEU 161 CO 0.03 -0.53 0.31 0.21 0.02 0.00 0.00 176.35 176.40 1fvj s ASN 162 N -1.09 4.20 0.61 2.29 2.47 -0.09 -4.76 114.94 118.56 1fvj s ASN 162 Ca 0.54 -3.14 0.36 0.00 0.42 0.00 0.00 52.86 51.03 1fvj s ASN 162 Cb -0.30 -1.48 1.98 0.00 -1.45 0.00 0.00 41.25 40.00 1fvj s ASN 162 CO 0.39 -0.20 2.26 1.55 -3.72 0.00 0.00 177.10 177.37 1fvj h PRO 163 N 6.25 0.00 -0.21 0.43 0.13 -1.88 -1.77 132.00 134.95 1fvj h PRO 163 Ca -0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.08 1fvj h PRO 163 Cb 0.87 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.98 1fvj h PRO 163 CO 0.64 0.02 -0.10 1.96 -0.23 0.00 0.00 178.00 180.29 1fvj h GLN 164 N 0.00 0.33 -0.28 0.86 7.50 -1.92 -1.41 115.11 120.20 1fvj h GLN 164 Ca -0.00 -0.08 0.00 0.00 0.50 0.00 0.00 58.65 59.07 1fvj h GLN 164 Cb 0.09 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 27.57 1fvj h GLN 164 CO 0.00 0.45 0.00 0.41 -1.50 0.00 0.00 178.83 178.19 1fvj n GLY 165 N -0.84 0.19 3.83 3.46 0.00 -0.66 -4.89 105.19 106.28 1fvj n GLY 165 Ca -0.00 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 1fvj n GLY 165 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fvj s MET 166 N -1.69 2.96 -0.48 1.61 -1.94 -0.53 -4.31 119.30 114.92 1fvj s MET 166 Ca 0.15 -0.98 -0.28 0.00 -1.71 0.00 0.00 55.69 52.87 1fvj s MET 166 Cb 0.08 -2.61 -0.01 0.00 2.01 0.00 0.00 34.83 34.30 1fvj s MET 166 CO 0.10 0.43 1.64 0.34 -0.01 0.00 0.00 175.02 177.51 1fvj s ASP 167 N -3.65 5.88 0.00 3.03 2.15 -1.26 -4.84 116.67 117.97 1fvj s ASP 167 Ca 0.32 0.71 0.19 0.00 0.43 0.00 0.00 52.55 54.20 1fvj s ASP 167 Cb -0.09 -2.53 0.09 0.00 -0.30 0.00 0.00 42.92 40.09 1fvj s ASP 167 CO 0.25 -1.83 1.05 0.35 -0.17 0.00 0.00 175.17 174.82 1fvj n THR 168 N 7.16 0.00 -0.23 1.71 -2.24 -1.26 -3.75 114.28 115.66 1fvj n THR 168 Ca 0.18 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1fvj n THR 168 Cb 0.49 1.33 0.12 0.00 -2.10 0.00 0.00 70.33 70.17 1fvj n THR 168 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1fvj h SER 169 N 3.11 0.42 -3.52 3.42 4.64 -2.02 -3.36 113.55 116.24 1fvj h SER 169 Ca 0.00 0.06 -0.67 0.00 -0.47 0.00 0.00 61.79 60.71 1fvj h SER 169 Cb 0.74 -0.01 -0.32 0.00 -0.31 0.00 0.00 62.40 62.51 1fvj h SER 169 CO 0.00 0.24 -0.74 0.21 -0.87 0.00 0.00 176.83 175.67 1fvj s ASN 170 N -5.48 4.34 0.42 4.97 3.84 -1.26 -5.01 114.94 116.75 1fvj s ASN 170 Ca -0.13 -0.89 0.12 0.00 0.21 0.00 0.00 52.86 52.18 1fvj s ASN 170 Cb 0.17 -1.67 0.90 0.00 -0.55 0.00 0.00 41.25 40.11 1fvj s ASN 170 CO 0.76 -0.13 1.96 0.24 -2.79 0.00 0.00 177.10 177.14 1fvj h MET 171 N 8.01 0.12 -0.27 0.43 2.86 -1.89 0.17 114.93 124.36 1fvj h MET 171 Ca -0.32 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.21 1fvj h MET 171 Cb 1.11 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 1fvj h MET 171 CO 0.57 0.27 -0.16 -0.44 1.06 0.00 0.00 176.91 178.21 1fvj h ASP 172 N 0.12 0.61 -0.30 1.22 3.32 -1.95 -0.86 116.42 118.58 1fvj h ASP 172 Ca 0.02 -0.42 -0.03 0.00 0.02 0.00 0.00 57.03 56.62 1fvj h ASP 172 Cb 0.33 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1fvj h ASP 172 CO 0.02 0.90 0.07 0.58 -1.72 0.00 0.00 179.24 179.10 1fvj h VAL 173 N 0.32 1.22 -0.03 -1.35 2.07 -1.86 -2.56 116.25 114.07 1fvj h VAL 173 Ca 0.06 -0.72 0.03 0.00 0.82 0.00 0.00 66.70 66.89 1fvj h VAL 173 Cb 0.68 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 1fvj h VAL 173 CO 0.05 0.24 -0.26 0.15 0.02 0.00 0.00 177.57 177.77 1fvj h PHE 174 N 0.32 -0.69 -0.66 1.57 3.57 -0.87 0.20 116.94 120.39 1fvj h PHE 174 Ca 0.09 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.71 1fvj h PHE 174 Cb 0.29 0.31 -0.07 0.00 2.79 0.00 0.00 35.95 39.27 1fvj h PHE 174 CO 0.01 -0.35 0.30 0.28 -2.23 0.00 0.00 178.31 176.32 1fvj h VAL 175 N -0.38 0.82 -0.08 1.41 2.07 -1.11 0.59 116.25 119.57 1fvj h VAL 175 Ca 0.07 -0.18 -0.13 0.00 0.82 0.00 0.00 66.70 67.28 1fvj h VAL 175 Cb 0.48 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1fvj h VAL 175 CO -0.24 0.09 -0.53 1.56 0.02 0.00 0.00 177.57 178.48 1fvj h GLN 176 N 0.52 0.22 -0.53 1.57 1.08 -0.96 -1.25 115.11 115.75 1fvj h GLN 176 Ca 0.33 -0.13 -0.11 0.00 -1.45 0.00 0.00 58.65 57.29 1fvj h GLN 176 Cb 0.36 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 1fvj h GLN 176 CO -0.28 0.69 -0.09 0.37 -0.95 0.00 0.00 178.83 178.57 1fvj h GLN 177 N 0.17 1.00 0.20 1.46 4.15 0.50 0.21 115.11 122.81 1fvj h GLN 177 Ca 0.00 -0.37 -0.01 0.00 0.77 0.00 0.00 58.65 59.05 1fvj h GLN 177 Cb 0.99 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.61 1fvj h GLN 177 CO 0.08 1.05 -0.10 -0.92 -1.93 0.00 0.00 178.83 177.01 1fvj h TYR 178 N 0.88 -0.25 -1.00 3.99 5.03 -0.66 -0.58 116.97 124.38 1fvj h TYR 178 Ca 0.14 -0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.47 1fvj h TYR 178 Cb 0.66 0.08 -0.05 0.00 1.55 0.00 0.00 36.73 38.97 1fvj h TYR 178 CO 0.05 -0.08 0.66 0.00 -1.32 0.00 0.00 178.16 177.46 1fvj h ALA 179 N 0.42 1.30 0.00 1.82 0.00 -1.08 -1.88 119.26 119.83 1fvj h ALA 179 Ca -0.03 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1fvj h ALA 179 Cb 0.28 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1fvj h ALA 179 CO 0.05 0.59 -0.43 -0.44 0.00 0.00 0.00 179.25 179.01 1fvj h ASP 180 N 1.30 0.00 -0.17 0.00 3.32 -0.74 -2.04 116.42 118.08 1fvj h ASP 180 Ca 0.38 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.25 1fvj h ASP 180 Cb -0.06 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.50 1fvj h ASP 180 CO -0.11 0.43 -0.60 0.74 -1.72 0.00 0.00 179.24 177.98 1fvj h THR 181 N 0.00 1.31 -0.24 0.35 2.02 -0.38 -0.94 112.91 115.02 1fvj h THR 181 Ca -0.00 -1.83 0.00 0.00 0.77 0.00 0.00 66.41 65.35 1fvj h THR 181 Cb 0.84 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 1fvj h THR 181 CO 0.06 0.57 0.16 0.58 0.37 0.00 0.00 175.52 177.26 1fvj h VAL 182 N 0.42 1.06 -0.60 3.16 2.07 -1.23 -0.53 116.25 120.59 1fvj h VAL 182 Ca -0.03 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1fvj h VAL 182 Cb 1.23 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 1fvj h VAL 182 CO 0.13 0.06 0.38 0.50 0.02 0.00 0.00 177.57 178.65 1fvj h LYS 183 N 0.32 0.73 0.10 1.57 3.64 -1.34 0.62 116.57 122.23 1fvj h LYS 183 Ca 0.09 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1fvj h LYS 183 Cb -0.04 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1fvj h LYS 183 CO -0.02 0.48 -0.05 -0.92 -2.27 0.00 0.00 179.45 176.67 1fvj h TYR 184 N 0.75 -0.13 -0.27 1.91 3.20 -0.78 -3.00 116.97 118.66 1fvj h TYR 184 Ca 0.24 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.04 1fvj h TYR 184 Cb -0.02 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 1fvj h TYR 184 CO -0.05 -0.07 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.24 1fvj h LEU 185 N -0.14 0.42 -2.02 2.82 3.38 -0.79 -2.83 115.31 116.15 1fvj h LEU 185 Ca -0.01 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1fvj h LEU 185 Cb 0.11 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1fvj h LEU 185 CO 0.02 0.55 -0.09 0.77 0.09 0.00 0.00 178.44 179.78 1fvj h SER 186 N 0.41 0.00 -0.55 -0.43 4.64 -0.74 -1.56 113.55 115.32 1fvj h SER 186 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1fvj h SER 186 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1fvj h SER 186 CO 0.02 0.09 0.00 -0.62 -0.87 0.00 0.00 176.83 175.46 1fvj n GLU 187 N -3.63 4.49 0.00 4.77 1.02 -1.07 -5.01 120.64 121.21 1fvj n GLU 187 Ca -0.02 -3.08 0.00 0.00 -0.02 0.00 0.00 57.16 54.04 1fvj n GLU 187 Cb 0.21 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.48 1fvj n GLU 187 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48