#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fba n THR 2 N 0.00 0.37 -3.24 12.58 -2.24 -1.26 -4.79 114.28 115.71 1fba n THR 2 Ca 0.00 -0.59 -0.44 0.00 -2.27 0.00 0.00 64.05 60.75 1fba n THR 2 Cb 0.00 -0.12 -0.07 0.00 -2.10 0.00 0.00 70.33 68.04 1fba n THR 2 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1fba s TYR 3 N -3.21 3.12 0.26 4.78 2.02 -1.26 -5.01 117.35 118.06 1fba s TYR 3 Ca -0.08 -0.67 -0.16 0.00 -0.37 0.00 0.00 57.07 55.78 1fba s TYR 3 Cb 0.12 -3.39 0.01 0.00 -0.40 0.00 0.00 41.96 38.29 1fba s TYR 3 CO 0.87 -0.94 0.59 -0.59 -1.57 0.00 0.00 175.55 173.90 1fba s PHE 4 N 2.27 0.13 -0.18 2.71 -0.71 -1.26 -5.16 117.98 115.78 1fba s PHE 4 Ca 0.11 -0.54 -0.05 0.00 -1.04 0.00 0.00 56.93 55.41 1fba s PHE 4 Cb -0.21 0.42 -0.03 0.00 -1.21 0.00 0.00 43.02 41.99 1fba s PHE 4 CO 0.10 -1.11 -0.01 -0.80 -1.34 0.00 0.00 175.22 172.06 1fba s ASN 5 N -2.98 4.88 0.53 1.98 0.01 -1.26 -5.10 114.94 113.00 1fba s ASN 5 Ca 0.18 -0.15 -0.19 0.00 -0.71 0.00 0.00 52.86 51.99 1fba s ASN 5 Cb -0.03 -1.82 -0.06 0.00 0.41 0.00 0.00 41.25 39.75 1fba s ASN 5 CO 0.08 0.12 1.07 -0.31 -1.51 0.00 0.00 177.10 176.55 1fba s TYR 6 N 0.69 2.88 0.76 2.20 2.02 -1.26 -5.01 117.35 119.64 1fba s TYR 6 Ca -0.01 1.55 -0.15 0.00 -0.37 0.00 0.00 57.07 58.10 1fba s TYR 6 Cb -0.14 -3.12 0.04 0.00 -0.40 0.00 0.00 41.96 38.34 1fba s TYR 6 CO 0.02 -1.14 1.11 -2.30 -1.57 0.00 0.00 175.55 171.68 1fba n PRO 7 N -1.33 0.40 -1.30 -1.71 -0.02 -1.26 -4.95 135.00 124.84 1fba n PRO 7 Ca 0.10 0.20 -0.34 0.00 -2.02 0.00 0.00 63.50 61.44 1fba n PRO 7 Cb 0.52 -2.36 0.11 0.00 -0.02 0.00 0.00 33.50 31.75 1fba n PRO 7 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1fba s SER 8 N -1.85 3.91 0.21 2.55 1.04 -1.26 -4.72 113.70 113.57 1fba s SER 8 Ca 0.74 2.41 -0.09 0.00 0.48 0.00 0.00 55.95 59.50 1fba s SER 8 Cb -0.32 -2.59 0.27 0.00 0.10 0.00 0.00 66.02 63.48 1fba s SER 8 CO 0.50 -2.46 1.79 0.50 0.98 0.00 0.00 173.24 174.54 1fba h LYS 9 N -0.50 0.58 -0.70 4.02 3.64 -2.00 -0.57 116.57 121.04 1fba h LYS 9 Ca -0.47 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 58.95 1fba h LYS 9 Cb 1.30 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.93 1fba h LYS 9 CO 0.48 0.39 0.37 0.93 -2.27 0.00 0.00 179.45 179.35 1fba h GLU 10 N 0.60 0.64 -0.27 1.90 3.07 -2.00 -1.40 114.58 117.11 1fba h GLU 10 Ca 0.31 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.36 59.00 1fba h GLU 10 Cb 0.28 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.04 1fba h GLU 10 CO -0.23 0.42 -0.34 1.25 -1.40 0.00 0.00 179.01 178.71 1fba h LEU 11 N 0.66 0.78 -0.30 1.33 5.85 -1.72 -2.40 115.31 119.51 1fba h LEU 11 Ca 0.33 -0.50 0.03 0.00 0.84 0.00 0.00 57.88 58.58 1fba h LEU 11 Cb 0.28 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1fba h LEU 11 CO -0.23 1.12 0.12 1.56 -0.34 0.00 0.00 178.44 180.67 1fba h GLN 12 N 0.46 0.25 -0.18 1.25 4.20 -0.67 -1.33 115.11 119.09 1fba h GLN 12 Ca 0.03 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.74 1fba h GLN 12 Cb 0.93 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 1fba h GLN 12 CO 0.08 0.17 0.09 -0.44 -0.67 0.00 0.00 178.83 178.05 1fba h ASP 13 N 0.26 0.13 0.01 1.46 3.32 -1.28 0.28 116.42 120.61 1fba h ASP 13 Ca 0.13 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1fba h ASP 13 Cb 0.08 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1fba h ASP 13 CO -0.12 0.10 -0.02 -0.08 -1.72 0.00 0.00 179.24 177.40 1fba h GLU 14 N 0.19 -0.03 -0.54 3.56 4.81 -1.19 -0.33 114.58 121.05 1fba h GLU 14 Ca 0.07 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1fba h GLU 14 Cb 0.02 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1fba h GLU 14 CO -0.05 -0.02 0.21 -0.07 -0.73 0.00 0.00 179.01 178.34 1fba h LEU 15 N -0.04 0.75 -0.66 1.64 3.38 -1.08 -2.01 115.31 117.30 1fba h LEU 15 Ca 0.00 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1fba h LEU 15 Cb 0.04 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1fba h LEU 15 CO -0.01 0.72 0.25 -0.09 0.09 0.00 0.00 178.44 179.40 1fba h ARG 16 N 0.73 0.99 -0.37 1.13 2.43 -0.79 -2.12 114.38 116.38 1fba h ARG 16 Ca 0.18 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1fba h ARG 16 Cb 0.21 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1fba h ARG 16 CO -0.01 0.84 0.17 0.93 -1.51 0.00 0.00 179.97 180.39 1fba h GLU 17 N 0.93 0.53 -0.14 0.20 5.08 -0.87 -1.15 114.58 119.15 1fba h GLU 17 Ca 0.22 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1fba h GLU 17 Cb 0.23 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1fba h GLU 17 CO -0.02 0.48 0.09 0.82 -1.00 0.00 0.00 179.01 179.39 1fba h ILE 18 N 0.45 1.03 -0.60 3.13 2.04 -1.25 -2.09 117.51 120.22 1fba h ILE 18 Ca 0.13 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 1fba h ILE 18 Cb 0.13 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1fba h ILE 18 CO -0.02 0.04 0.36 0.00 0.00 0.00 0.00 178.15 178.53 1fba h ALA 19 N 1.05 0.77 -0.69 1.87 0.00 -1.19 -2.24 119.26 118.84 1fba h ALA 19 Ca 0.05 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1fba h ALA 19 Cb -0.02 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 1fba h ALA 19 CO -0.01 0.25 0.42 1.96 0.00 0.00 0.00 179.25 181.87 1fba h GLN 20 N 0.82 0.78 -0.80 0.00 4.20 -1.10 -2.62 115.11 116.38 1fba h GLN 20 Ca 0.22 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 1fba h GLN 20 Cb -0.02 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.55 1fba h GLN 20 CO -0.04 0.52 0.33 0.87 -0.67 0.00 0.00 178.83 179.83 1fba h LYS 21 N 0.80 1.19 -0.22 1.46 1.57 -0.93 -2.59 116.57 117.86 1fba h LYS 21 Ca 0.29 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1fba h LYS 21 Cb 0.08 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1fba h LYS 21 CO -0.14 0.95 -0.11 0.82 -0.57 0.00 0.00 179.45 180.41 1fba h ILE 22 N 1.16 1.19 -0.45 1.86 2.04 -1.04 -2.97 117.51 119.30 1fba h ILE 22 Ca 0.27 -0.84 -0.13 0.00 1.00 0.00 0.00 64.86 65.15 1fba h ILE 22 Cb 0.20 1.15 -0.08 0.00 -0.74 0.00 0.00 36.82 37.36 1fba h ILE 22 CO -0.02 0.27 0.08 1.33 0.00 0.00 0.00 178.15 179.81 1fba n VAL 23 N -4.26 2.58 -1.63 1.67 0.24 -1.11 -4.37 118.33 111.45 1fba n VAL 23 Ca 0.00 -2.06 -0.40 0.00 -2.04 0.00 0.00 64.34 59.85 1fba n VAL 23 Cb 0.28 -0.31 0.03 0.00 -1.47 0.00 0.00 33.84 32.37 1fba n VAL 23 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fba n ALA 24 N -0.60 0.37 -1.56 2.33 0.00 -0.99 -4.81 120.51 115.25 1fba n ALA 24 Ca 0.32 0.14 -0.53 0.00 0.00 0.00 0.00 53.44 53.37 1fba n ALA 24 Cb 1.10 -2.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.37 1fba n ALA 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1fba n PRO 25 N -0.33 0.89 -1.99 0.00 -0.02 -1.26 -1.51 135.00 130.78 1fba n PRO 25 Ca 0.11 0.32 -0.10 0.00 -2.02 0.00 0.00 63.50 61.80 1fba n PRO 25 Cb 0.43 -1.89 -0.01 0.00 -0.02 0.00 0.00 33.50 32.00 1fba n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fba n GLY 26 N 2.21 0.22 3.14 -1.23 0.00 -1.26 -5.04 105.19 103.22 1fba n GLY 26 Ca 0.18 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 1fba n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fba s LYS 27 N -4.13 0.74 0.10 1.61 1.02 -0.57 -4.29 119.74 114.21 1fba s LYS 27 Ca 0.00 -1.05 -0.02 0.00 0.02 0.00 0.00 55.97 54.92 1fba s LYS 27 Cb 0.00 -0.40 0.01 0.00 -0.52 0.00 0.00 37.83 36.92 1fba s LYS 27 CO 0.00 0.06 0.16 0.41 -0.92 0.00 0.00 175.35 175.05 1fba n GLY 28 N 0.77 2.43 3.67 -3.33 0.00 -0.24 -4.63 105.19 103.85 1fba n GLY 28 Ca -0.18 -1.30 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 1fba n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fba s ILE 29 N -2.63 4.24 -0.30 -0.61 1.01 0.56 -1.51 121.20 121.97 1fba s ILE 29 Ca 0.06 -0.32 -0.16 0.00 0.00 0.00 0.00 60.65 60.24 1fba s ILE 29 Cb -0.01 -2.79 -0.02 0.00 0.01 0.00 0.00 42.46 39.65 1fba s ILE 29 CO 0.04 0.57 0.40 -0.22 0.00 0.00 0.00 174.94 175.74 1fba s LEU 30 N -0.97 4.20 -0.50 2.97 2.96 -0.66 -1.78 118.68 124.89 1fba s LEU 30 Ca 0.14 0.10 -0.21 0.00 -0.22 0.00 0.00 54.13 53.94 1fba s LEU 30 Cb -0.11 -2.44 0.05 0.00 0.50 0.00 0.00 46.19 44.18 1fba s LEU 30 CO 0.03 -0.28 0.70 0.00 -1.32 0.00 0.00 176.35 175.48 1fba s ALA 31 N 2.13 3.32 -0.25 5.97 0.00 0.35 -1.85 121.76 131.43 1fba s ALA 31 Ca 0.15 -1.51 0.09 0.00 0.00 0.00 0.00 51.96 50.69 1fba s ALA 31 Cb -0.16 -3.43 0.45 0.00 0.00 0.00 0.00 23.12 19.98 1fba s ALA 31 CO 0.11 -2.05 1.20 0.00 0.00 0.00 0.00 175.76 175.02 1fba n ALA 32 N 6.49 4.39 -1.12 0.00 0.00 -0.40 -4.24 120.51 125.62 1fba n ALA 32 Ca -0.04 -3.55 -0.10 0.00 0.00 0.00 0.00 53.44 49.75 1fba n ALA 32 Cb 0.46 -0.35 0.26 0.00 0.00 0.00 0.00 19.45 19.83 1fba n ALA 32 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1fba n ASP 33 N -0.85 4.37 -4.74 0.00 5.75 -1.11 -4.07 116.55 115.91 1fba n ASP 33 Ca 0.33 -3.36 -0.42 0.00 -0.01 0.00 0.00 54.79 51.33 1fba n ASP 33 Cb 0.86 -0.76 -0.03 0.00 -1.03 0.00 0.00 41.12 40.16 1fba n ASP 33 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1fba s GLU 34 N -3.10 4.25 0.85 0.11 8.01 -1.26 -4.45 118.70 123.12 1fba s GLU 34 Ca 0.55 2.32 -0.12 0.00 0.01 0.00 0.00 54.97 57.73 1fba s GLU 34 Cb 0.45 -3.13 0.10 0.00 -4.31 0.00 0.00 34.13 27.25 1fba s GLU 34 CO 0.12 -0.49 1.14 -1.54 0.01 0.00 0.00 175.26 174.50 1fba s SER 35 N 0.63 4.05 0.19 -0.19 1.04 -1.26 -4.67 113.70 113.50 1fba s SER 35 Ca 0.63 0.99 -0.23 0.00 0.48 0.00 0.00 55.95 57.83 1fba s SER 35 Cb -0.42 -1.60 0.11 0.00 0.10 0.00 0.00 66.02 64.21 1fba s SER 35 CO 0.39 -2.21 1.56 1.23 0.98 0.00 0.00 173.24 175.19 1fba h GLY 36 N -1.26 -0.28 1.00 7.32 0.00 -1.99 0.28 103.07 108.14 1fba h GLY 36 Ca -0.48 0.58 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1fba h GLY 36 CO 0.63 -0.14 0.20 -2.55 0.00 0.00 0.00 176.54 174.67 1fba h PRO 37 N -0.09 0.41 -0.20 4.80 0.10 -1.99 -0.86 132.00 134.18 1fba h PRO 37 Ca 0.25 -0.03 -0.04 0.00 0.10 0.00 0.00 66.00 66.28 1fba h PRO 37 Cb 0.55 -0.09 -0.01 0.00 0.10 0.00 0.00 31.00 31.55 1fba h PRO 37 CO -0.86 0.28 -0.05 1.15 0.10 0.00 0.00 178.00 178.63 1fba h THR 38 N 0.42 1.28 -0.87 -1.15 2.02 -1.75 -2.47 112.91 110.39 1fba h THR 38 Ca 0.11 -1.02 0.04 0.00 0.77 0.00 0.00 66.41 66.31 1fba h THR 38 Cb -0.04 1.54 -0.05 0.00 -1.74 0.00 0.00 68.15 67.86 1fba h THR 38 CO -0.02 0.31 0.57 -0.03 0.37 0.00 0.00 175.52 176.72 1fba h MET 39 N 0.12 1.02 -0.93 6.66 -1.53 -0.95 -1.48 114.93 117.83 1fba h MET 39 Ca 0.05 -0.06 0.05 0.00 -3.44 0.00 0.00 59.70 56.30 1fba h MET 39 Cb 0.49 -0.23 -0.06 0.00 -0.55 0.00 0.00 31.60 31.26 1fba h MET 39 CO 0.02 0.67 0.61 0.78 0.14 0.00 0.00 176.91 179.13 1fba h GLY 40 N 1.05 1.36 1.62 1.39 0.00 -0.83 -0.44 103.07 107.20 1fba h GLY 40 Ca 0.35 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 1fba h GLY 40 CO -0.11 0.37 -0.16 0.50 0.00 0.00 0.00 176.54 177.14 1fba h LYS 41 N 1.14 0.46 -0.13 4.80 1.57 -0.83 -1.04 116.57 122.54 1fba h LYS 41 Ca 0.38 -0.14 -0.22 0.00 -1.87 0.00 0.00 60.65 58.80 1fba h LYS 41 Cb 0.07 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.35 1fba h LYS 41 CO -0.13 0.61 -0.79 0.00 -0.57 0.00 0.00 179.45 178.57 1fba h ARG 42 N 0.42 0.74 -0.05 3.15 2.47 -0.91 -3.13 114.38 117.07 1fba h ARG 42 Ca 0.08 -0.62 -0.02 0.00 -1.26 0.00 0.00 59.98 58.16 1fba h ARG 42 Cb 0.52 0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.98 1fba h ARG 42 CO 0.03 1.22 -0.03 -0.07 0.56 0.00 0.00 179.97 181.68 1fba h LEU 43 N 0.50 0.12 -1.07 3.04 3.38 -1.00 -3.20 115.31 117.08 1fba h LEU 43 Ca -0.06 -0.45 0.18 0.00 0.09 0.00 0.00 57.88 57.65 1fba h LEU 43 Cb 1.42 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 42.04 1fba h LEU 43 CO 0.16 0.54 0.61 -0.61 0.09 0.00 0.00 178.44 179.24 1fba h GLN 44 N -0.31 0.73 -0.16 1.13 4.15 -0.76 0.11 115.11 119.99 1fba h GLN 44 Ca 0.01 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.43 1fba h GLN 44 Cb 0.50 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 1fba h GLN 44 CO 0.01 0.48 0.17 0.22 -1.93 0.00 0.00 178.83 177.78 1fba h ASP 45 N 0.75 0.00 -0.09 -0.69 1.82 -1.53 -1.01 116.42 115.67 1fba h ASP 45 Ca 0.56 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 57.14 1fba h ASP 45 Cb 0.89 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.86 1fba h ASP 45 CO -0.34 0.00 -0.44 2.30 -1.61 0.00 0.00 179.24 179.14 1fba n ILE 46 N -3.88 2.28 -0.95 2.25 -5.35 0.20 -4.96 119.36 108.95 1fba n ILE 46 Ca 0.01 -3.21 0.00 0.00 -0.27 0.00 0.00 62.75 59.28 1fba n ILE 46 Cb 0.28 -0.29 0.00 0.00 -1.74 0.00 0.00 39.64 37.89 1fba n ILE 46 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fba n GLY 47 N -1.10 0.25 3.74 3.28 0.00 -0.38 -4.68 105.19 106.30 1fba n GLY 47 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 1fba n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fba s VAL 48 N -1.57 5.27 0.24 1.61 1.01 -0.15 -4.95 120.40 121.85 1fba s VAL 48 Ca 0.00 0.64 -0.30 0.00 0.00 0.00 0.00 61.98 62.32 1fba s VAL 48 Cb 0.00 -3.67 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 1fba s VAL 48 CO 0.00 0.40 1.17 -0.70 0.00 0.00 0.00 175.10 175.97 1fba s GLU 49 N 0.30 4.54 -1.09 2.72 2.12 -1.26 -2.30 118.70 123.73 1fba s GLU 49 Ca 0.19 1.88 -0.21 0.00 0.36 0.00 0.00 54.97 57.19 1fba s GLU 49 Cb -0.14 -3.20 0.07 0.00 0.26 0.00 0.00 34.13 31.12 1fba s GLU 49 CO 0.06 0.03 1.50 1.21 -0.54 0.00 0.00 175.26 177.52 1fba s ASN 50 N -0.37 6.61 0.25 -1.70 2.47 -1.26 -4.77 114.94 116.17 1fba s ASN 50 Ca 0.49 -1.79 0.11 0.00 0.42 0.00 0.00 52.86 52.08 1fba s ASN 50 Cb -0.33 -2.55 -0.05 0.00 -1.45 0.00 0.00 41.25 36.87 1fba s ASN 50 CO 0.40 -1.37 -0.13 0.42 -3.72 0.00 0.00 177.10 172.70 1fba s THR 51 N 4.51 2.85 0.30 -5.21 -4.23 -1.26 -5.03 115.64 107.58 1fba s THR 51 Ca 0.47 -2.10 -0.00 0.00 -1.18 0.00 0.00 61.69 58.87 1fba s THR 51 Cb 0.01 -2.48 0.27 0.00 1.34 0.00 0.00 72.50 71.64 1fba s THR 51 CO -0.05 -0.31 1.95 -0.08 -0.54 0.00 0.00 174.62 175.59 1fba h GLU 52 N 2.38 1.03 -0.12 3.99 4.81 -1.99 -0.82 114.58 123.86 1fba h GLU 52 Ca -0.43 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 58.58 1fba h GLU 52 Cb 1.24 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1fba h GLU 52 CO 0.58 0.68 -0.61 0.22 -0.73 0.00 0.00 179.01 179.15 1fba h ASP 53 N 1.06 0.46 -0.24 1.04 3.58 -1.96 -0.34 116.42 120.02 1fba h ASP 53 Ca 0.34 -0.26 -0.14 0.00 0.42 0.00 0.00 57.03 57.38 1fba h ASP 53 Cb 0.02 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 1fba h ASP 53 CO -0.10 0.96 -0.36 0.78 -2.88 0.00 0.00 179.24 177.64 1fba h ASN 54 N 0.30 0.81 -0.46 2.28 2.35 -1.72 -0.52 115.58 118.62 1fba h ASN 54 Ca -0.01 -0.35 -0.06 0.00 -0.55 0.00 0.00 56.30 55.34 1fba h ASN 54 Cb 1.14 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.27 1fba h ASN 54 CO 0.10 1.08 0.07 0.03 -1.65 0.00 0.00 177.43 177.07 1fba h ARG 55 N 0.64 0.76 -0.80 0.81 3.08 -0.96 -1.37 114.38 116.54 1fba h ARG 55 Ca 0.06 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 1fba h ARG 55 Cb 0.90 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.83 1fba h ARG 55 CO 0.08 0.78 0.34 -0.09 -1.07 0.00 0.00 179.97 180.01 1fba h ARG 56 N 0.62 1.18 0.05 0.04 2.43 -0.93 -1.55 114.38 116.22 1fba h ARG 56 Ca 0.14 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1fba h ARG 56 Cb 0.39 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1fba h ARG 56 CO 0.01 0.94 -0.02 0.00 -1.51 0.00 0.00 179.97 179.38 1fba h ALA 57 N 1.21 -0.07 -0.09 2.80 0.00 -0.83 0.10 119.26 122.39 1fba h ALA 57 Ca 0.27 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1fba h ALA 57 Cb 0.18 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1fba h ALA 57 CO -0.03 -0.50 -0.05 -0.92 0.00 0.00 0.00 179.25 177.76 1fba h TYR 58 N -0.15 -0.11 -0.61 0.00 3.20 -1.07 -1.98 116.97 116.25 1fba h TYR 58 Ca -0.01 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.89 1fba h TYR 58 Cb 0.13 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 1fba h TYR 58 CO -0.05 -0.08 0.40 0.00 -1.64 0.00 0.00 178.16 176.80 1fba h ARG 59 N -0.05 0.76 -0.88 1.82 -0.00 -1.15 -2.07 114.38 112.81 1fba h ARG 59 Ca 0.05 -0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 1fba h ARG 59 Cb 0.12 -0.17 -0.04 0.00 0.00 0.00 0.00 29.97 29.88 1fba h ARG 59 CO -0.12 0.50 0.55 0.37 0.00 0.00 0.00 179.97 181.28 1fba h GLN 60 N 0.78 1.17 0.04 0.04 4.15 -0.21 -0.19 115.11 120.89 1fba h GLN 60 Ca 0.23 -0.09 0.02 0.00 0.77 0.00 0.00 58.65 59.58 1fba h GLN 60 Cb -0.01 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.40 1fba h GLN 60 CO -0.06 0.80 -0.13 1.25 -1.93 0.00 0.00 178.83 178.76 1fba h LEU 61 N 1.19 -0.37 -0.62 -2.39 6.46 -0.69 -0.20 115.31 118.69 1fba h LEU 61 Ca 0.32 0.05 0.06 0.00 -0.12 0.00 0.00 57.88 58.18 1fba h LEU 61 Cb -0.09 0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 39.93 1fba h LEU 61 CO -0.06 -0.19 0.34 -0.07 -0.62 0.00 0.00 178.44 177.83 1fba h LEU 62 N -0.24 0.49 0.00 2.25 3.38 -1.09 -3.10 115.31 117.00 1fba h LEU 62 Ca 0.03 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1fba h LEU 62 Cb 0.28 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1fba h LEU 62 CO -0.10 0.32 -0.39 0.49 0.09 0.00 0.00 178.44 178.85 1fba n PHE 63 N -4.82 0.30 -0.08 1.13 3.72 -0.12 -3.64 117.46 113.96 1fba n PHE 63 Ca 0.07 0.09 0.09 0.00 -0.05 0.00 0.00 57.45 57.65 1fba n PHE 63 Cb 0.17 -0.52 0.22 0.00 -0.94 0.00 0.00 39.48 38.40 1fba n PHE 63 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1fba n SER 64 N -1.80 3.32 -4.62 4.37 3.41 -0.11 -4.74 113.62 113.45 1fba n SER 64 Ca 0.05 -1.95 -0.37 0.00 -0.26 0.00 0.00 58.87 56.34 1fba n SER 64 Cb 0.38 -0.30 0.07 0.00 -0.26 0.00 0.00 64.21 64.10 1fba n SER 64 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1fba n THR 65 N 1.13 3.50 -1.54 6.66 -1.04 -1.21 -4.88 114.28 116.91 1fba n THR 65 Ca 0.17 -0.45 -0.48 0.00 -2.04 0.00 0.00 64.05 61.26 1fba n THR 65 Cb 0.52 -1.15 -0.03 0.00 -1.82 0.00 0.00 70.33 67.85 1fba n THR 65 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1fba n ASP 66 N -1.27 0.65 0.11 8.00 -0.08 -1.26 -4.78 116.55 117.93 1fba n ASP 66 Ca 0.14 1.15 0.06 0.00 -1.51 0.00 0.00 54.79 54.64 1fba n ASP 66 Cb 0.48 -1.17 0.35 0.00 2.34 0.00 0.00 41.12 43.12 1fba n ASP 66 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1fba n PRO 67 N 1.17 0.08 0.15 -0.67 -0.04 -1.26 -1.13 135.00 133.30 1fba n PRO 67 Ca 0.14 0.55 0.19 0.00 -0.04 0.00 0.00 63.50 64.34 1fba n PRO 67 Cb 0.27 -1.88 0.78 0.00 -0.04 0.00 0.00 33.50 32.63 1fba n PRO 67 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1fba h LYS 68 N 0.00 0.00 -0.60 0.54 3.64 -1.98 -1.68 116.57 116.48 1fba h LYS 68 Ca 0.00 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1fba h LYS 68 Cb 0.21 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1fba h LYS 68 CO 0.00 0.00 0.40 1.25 -2.27 0.00 0.00 179.45 178.83 1fba h LEU 69 N 0.00 0.50 0.00 5.20 5.85 -1.45 -1.32 115.31 124.09 1fba h LEU 69 Ca 0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1fba h LEU 69 Cb 0.78 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1fba h LEU 69 CO -0.00 0.33 0.00 0.00 -0.34 0.00 0.00 178.44 178.43 1fba n ALA 70 N -2.48 1.49 0.11 1.25 0.00 -0.63 -0.97 120.51 119.28 1fba n ALA 70 Ca 0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.47 1fba n ALA 70 Cb 0.25 -1.17 0.19 0.00 0.00 0.00 0.00 19.45 18.72 1fba n ALA 70 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1fba h GLU 71 N 0.00 0.14 0.00 0.00 5.08 -1.41 -3.35 114.58 115.04 1fba h GLU 71 Ca 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1fba h GLU 71 Cb 0.17 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1fba h GLU 71 CO 0.00 0.63 -0.75 0.09 -1.00 0.00 0.00 179.01 177.98 1fba n ASN 72 N -3.93 2.32 -4.21 1.42 3.02 -0.48 -4.61 115.26 108.79 1fba n ASN 72 Ca -0.02 -0.27 -0.36 0.00 -0.03 0.00 0.00 54.58 53.91 1fba n ASN 72 Cb 0.55 1.11 -0.13 0.00 -0.61 0.00 0.00 39.78 40.70 1fba n ASN 72 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1fba s ILE 73 N -1.90 3.31 0.05 2.41 -1.09 -0.14 -1.08 121.20 122.75 1fba s ILE 73 Ca -0.00 -1.33 0.09 0.00 -2.23 0.00 0.00 60.65 57.18 1fba s ILE 73 Cb 0.03 -2.92 -0.19 0.00 -1.58 0.00 0.00 42.46 37.80 1fba s ILE 73 CO 0.18 -0.17 1.11 0.77 -1.23 0.00 0.00 174.94 175.59 1fba h SER 74 N 8.09 0.00 -5.05 3.58 4.64 -1.53 -3.39 113.55 119.88 1fba h SER 74 Ca -0.21 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.06 1fba h SER 74 Cb 1.07 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.03 1fba h SER 74 CO 0.57 0.95 0.01 -0.83 -0.87 0.00 0.00 176.83 176.66 1fba s GLY 75 N -4.80 -0.38 -0.05 -0.77 0.00 -1.24 -1.06 107.32 99.02 1fba s GLY 75 Ca -0.00 0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.88 1fba s GLY 75 CO 0.82 -0.14 -0.08 0.14 0.00 0.00 0.00 173.10 173.84 1fba s VAL 76 N -3.67 0.82 -0.19 1.40 1.01 -0.52 -1.66 120.40 117.59 1fba s VAL 76 Ca 0.02 -0.29 -0.18 0.00 0.00 0.00 0.00 61.98 61.53 1fba s VAL 76 Cb 0.01 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 1fba s VAL 76 CO -0.11 0.29 0.48 -0.63 0.00 0.00 0.00 175.10 175.12 1fba s ILE 77 N 0.80 5.14 0.12 2.22 1.01 -0.77 -0.74 121.20 128.98 1fba s ILE 77 Ca -0.13 0.87 0.03 0.00 0.00 0.00 0.00 60.65 61.43 1fba s ILE 77 Cb -0.15 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 1fba s ILE 77 CO 0.02 0.21 0.15 -0.76 0.00 0.00 0.00 174.94 174.56 1fba s LEU 78 N 1.44 3.96 0.20 2.97 1.02 0.72 -1.28 118.68 127.71 1fba s LEU 78 Ca 0.23 0.01 -0.11 0.00 0.02 0.00 0.00 54.13 54.27 1fba s LEU 78 Cb -0.15 -2.59 -0.07 0.00 0.02 0.00 0.00 46.19 43.40 1fba s LEU 78 CO 0.09 0.12 0.55 0.12 0.02 0.00 0.00 176.35 177.25 1fba s PHE 79 N -1.58 3.49 0.24 0.29 5.36 -1.26 -1.64 117.98 122.88 1fba s PHE 79 Ca 0.31 0.95 -0.14 0.00 -0.96 0.00 0.00 56.93 57.09 1fba s PHE 79 Cb -0.11 -2.31 0.30 0.00 -0.34 0.00 0.00 43.02 40.56 1fba s PHE 79 CO 0.24 0.32 1.56 1.25 -1.46 0.00 0.00 175.22 177.13 1fba h HIS 80 N 2.90 -0.85 -0.75 10.12 6.17 -1.92 -1.29 115.15 129.52 1fba h HIS 80 Ca -0.48 0.09 0.05 0.00 0.71 0.00 0.00 60.37 60.75 1fba h HIS 80 Cb 1.18 0.51 -0.04 0.00 2.52 0.00 0.00 27.41 31.58 1fba h HIS 80 CO 0.63 -0.40 0.49 1.05 0.71 0.00 0.00 177.93 180.41 1fba h GLU 81 N -0.02 0.84 -0.23 5.26 4.11 -1.97 -2.74 114.58 119.84 1fba h GLU 81 Ca 0.38 -0.05 -0.10 0.00 0.07 0.00 0.00 59.36 59.66 1fba h GLU 81 Cb 0.63 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1fba h GLU 81 CO -0.96 0.56 -0.27 1.15 0.07 0.00 0.00 179.01 179.56 1fba h THR 82 N 0.87 1.27 -0.23 -1.06 2.02 -1.64 -2.56 112.91 111.58 1fba h THR 82 Ca 0.31 -1.28 0.07 0.00 0.77 0.00 0.00 66.41 66.27 1fba h THR 82 Cb 0.13 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1fba h THR 82 CO -0.10 0.40 0.23 0.25 0.37 0.00 0.00 175.52 176.67 1fba h LEU 83 N 0.38 0.00 -2.88 2.58 5.85 -1.43 -2.50 115.31 117.31 1fba h LEU 83 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1fba h LEU 83 Cb 0.68 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1fba h LEU 83 CO 0.05 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.93 1fba n TYR 84 N -3.91 0.49 -2.65 1.25 4.01 -0.97 -4.58 117.16 110.80 1fba n TYR 84 Ca 0.03 -0.50 -0.24 0.00 -0.16 0.00 0.00 57.90 57.02 1fba n TYR 84 Cb 0.36 -0.03 0.03 0.00 -0.31 0.00 0.00 39.34 39.39 1fba n TYR 84 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1fba s GLN 85 N -1.01 2.83 0.10 -0.72 -0.21 -0.94 -4.99 119.66 114.72 1fba s GLN 85 Ca 0.24 -0.37 0.05 0.00 0.02 0.00 0.00 55.36 55.31 1fba s GLN 85 Cb 0.13 -2.41 -0.03 0.00 1.00 0.00 0.00 33.01 31.69 1fba s GLN 85 CO 0.17 -0.59 -0.13 0.15 -2.12 0.00 0.00 175.29 172.77 1fba s LYS 86 N -4.80 0.92 1.01 2.91 1.02 -1.26 -1.85 119.74 117.68 1fba s LYS 86 Ca 0.53 -1.14 -0.14 0.00 0.02 0.00 0.00 55.97 55.24 1fba s LYS 86 Cb -0.10 -0.77 0.19 0.00 -0.52 0.00 0.00 37.83 36.63 1fba s LYS 86 CO 0.41 0.15 1.12 0.00 -0.92 0.00 0.00 175.35 176.11 1fba s ALA 87 N -2.02 1.19 0.34 5.17 0.00 0.15 -4.86 121.76 121.72 1fba s ALA 87 Ca 0.05 -0.59 0.09 0.00 0.00 0.00 0.00 51.96 51.51 1fba s ALA 87 Cb -0.06 -3.02 0.82 0.00 0.00 0.00 0.00 23.12 20.87 1fba s ALA 87 CO 0.02 -2.81 1.81 -0.44 0.00 0.00 0.00 175.76 174.34 1fba h ASP 88 N -1.90 0.69 -0.19 0.00 3.32 -1.97 -0.80 116.42 115.55 1fba h ASP 88 Ca -0.51 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1fba h ASP 88 Cb 1.32 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1fba h ASP 88 CO 0.54 0.27 0.00 -0.90 -1.72 0.00 0.00 179.24 177.42 1fba n ASP 89 N -4.67 1.31 0.00 6.45 5.68 -1.26 -4.91 116.55 119.15 1fba n ASP 89 Ca 0.22 -1.82 0.00 0.00 -0.50 0.00 0.00 54.79 52.69 1fba n ASP 89 Cb 0.59 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 1fba n ASP 89 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fba n GLY 90 N 0.98 0.77 3.70 6.12 0.00 -0.31 -5.04 105.19 111.41 1fba n GLY 90 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1fba n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fba s THR 91 N -2.89 4.87 0.29 2.61 2.01 -1.26 -4.71 115.64 116.57 1fba s THR 91 Ca 0.00 1.96 -0.30 0.00 0.31 0.00 0.00 61.69 63.66 1fba s THR 91 Cb 0.00 -4.27 -0.11 0.00 0.01 0.00 0.00 72.50 68.12 1fba s THR 91 CO 0.00 0.13 1.57 -2.84 -0.69 0.00 0.00 174.62 172.80 1fba s PRO 92 N 1.26 4.13 0.30 4.92 0.02 -1.26 0.29 135.00 144.66 1fba s PRO 92 Ca 0.49 2.55 0.05 0.00 0.02 0.00 0.00 61.00 64.11 1fba s PRO 92 Cb -0.20 -3.03 0.74 0.00 0.02 0.00 0.00 34.50 32.03 1fba s PRO 92 CO 0.24 -0.61 1.75 0.74 -0.33 0.00 0.00 177.00 178.79 1fba h PHE 93 N 4.78 0.94 -0.96 6.54 0.04 -1.67 -1.03 116.94 125.58 1fba h PHE 93 Ca -0.47 0.04 0.07 0.00 2.80 0.00 0.00 57.97 60.41 1fba h PHE 93 Cb 1.22 -0.27 -0.07 0.00 2.20 0.00 0.00 35.95 39.03 1fba h PHE 93 CO 0.58 0.14 0.61 0.00 -0.60 0.00 0.00 178.31 179.04 1fba h ALA 94 N 1.66 1.34 -0.31 2.45 0.00 -1.81 -1.75 119.26 120.85 1fba h ALA 94 Ca 0.57 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.35 1fba h ALA 94 Cb 0.96 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1fba h ALA 94 CO -0.43 0.36 -0.28 1.49 0.00 0.00 0.00 179.25 180.38 1fba h GLU 95 N 1.08 0.73 -0.07 0.00 4.81 -1.57 -1.48 114.58 118.09 1fba h GLU 95 Ca 0.43 -0.38 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1fba h GLU 95 Cb 0.22 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 1fba h GLU 95 CO -0.19 1.00 -0.09 0.82 -0.73 0.00 0.00 179.01 179.82 1fba h ILE 96 N 0.49 0.76 -0.41 2.32 2.04 -1.01 -1.12 117.51 120.57 1fba h ILE 96 Ca 0.05 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 1fba h ILE 96 Cb 0.85 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1fba h ILE 96 CO 0.07 0.00 0.17 -0.07 0.00 0.00 0.00 178.15 178.32 1fba h LEU 97 N -0.12 0.57 -0.86 1.44 3.38 -1.29 -2.81 115.31 115.62 1fba h LEU 97 Ca 0.06 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1fba h LEU 97 Cb 0.20 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1fba h LEU 97 CO -0.14 0.58 0.43 0.11 0.09 0.00 0.00 178.44 179.51 1fba h LYS 98 N 0.52 1.23 -0.56 1.13 1.79 -1.11 -1.48 116.57 118.10 1fba h LYS 98 Ca 0.14 -0.17 0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1fba h LYS 98 Cb 0.19 -0.23 -0.03 0.00 -1.58 0.00 0.00 32.23 30.58 1fba h LYS 98 CO -0.01 0.93 0.37 -0.22 -1.08 0.00 0.00 179.45 179.44 1fba h LYS 99 N 1.22 0.70 -0.02 3.15 3.64 -1.03 -0.41 116.57 123.82 1fba h LYS 99 Ca 0.30 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1fba h LYS 99 Cb 0.10 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1fba h LYS 99 CO -0.04 0.47 0.00 1.63 -2.27 0.00 0.00 179.45 179.23 1fba n LYS 100 N -4.46 1.20 -1.65 1.90 5.02 -0.83 -4.88 118.16 114.45 1fba n LYS 100 Ca 0.06 -0.29 -0.03 0.00 -2.02 0.00 0.00 58.31 56.02 1fba n LYS 100 Cb 0.07 -1.42 -0.01 0.00 -0.02 0.00 0.00 35.03 33.65 1fba n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fba n GLY 101 N 0.98 0.41 3.82 0.72 0.00 -0.16 -4.77 105.19 106.18 1fba n GLY 101 Ca 0.19 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 1fba n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fba s ILE 102 N -2.15 5.22 0.21 -0.61 1.01 -0.62 -4.95 121.20 119.31 1fba s ILE 102 Ca 0.00 0.62 -0.24 0.00 0.00 0.00 0.00 60.65 61.03 1fba s ILE 102 Cb 0.00 -3.62 -0.08 0.00 0.01 0.00 0.00 42.46 38.76 1fba s ILE 102 CO 0.00 0.54 0.80 -0.63 0.00 0.00 0.00 174.94 175.65 1fba s ILE 103 N -0.65 4.38 -0.14 2.92 1.01 -0.22 -4.04 121.20 124.46 1fba s ILE 103 Ca 0.20 1.62 -0.09 0.00 0.00 0.00 0.00 60.65 62.39 1fba s ILE 103 Cb -0.15 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 1fba s ILE 103 CO 0.09 0.36 0.16 -0.76 0.00 0.00 0.00 174.94 174.79 1fba s LEU 104 N -1.55 4.34 0.17 2.97 1.43 -1.26 -1.43 118.68 123.35 1fba s LEU 104 Ca 0.41 0.43 0.08 0.00 -1.03 0.00 0.00 54.13 54.03 1fba s LEU 104 Cb -0.21 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 1fba s LEU 104 CO 0.25 0.32 -0.18 -0.83 0.23 0.00 0.00 176.35 176.14 1fba s GLY 105 N -0.57 1.41 -0.02 -3.19 0.00 0.08 -0.71 107.32 104.33 1fba s GLY 105 Ca 0.14 -1.52 0.01 0.00 0.00 0.00 0.00 44.72 43.34 1fba s GLY 105 CO 0.03 -1.58 -0.03 -1.50 0.00 0.00 0.00 173.10 170.01 1fba s ILE 106 N -2.20 0.34 -0.15 0.90 1.10 -0.94 -0.20 121.20 120.06 1fba s ILE 106 Ca 0.17 -0.11 -0.29 0.00 -0.51 0.00 0.00 60.65 59.91 1fba s ILE 106 Cb -0.05 -0.34 -0.01 0.00 0.15 0.00 0.00 42.46 42.21 1fba s ILE 106 CO 0.07 0.13 0.99 -0.75 -2.11 0.00 0.00 174.94 173.27 1fba s LYS 107 N 0.35 4.36 -0.00 3.50 2.20 -0.65 -1.44 119.74 128.06 1fba s LYS 107 Ca -0.04 1.33 0.05 0.00 -0.36 0.00 0.00 55.97 56.95 1fba s LYS 107 Cb -0.07 -3.57 -0.06 0.00 -1.51 0.00 0.00 37.83 32.62 1fba s LYS 107 CO -0.00 -0.40 0.19 1.33 -0.36 0.00 0.00 175.35 176.10 1fba n VAL 108 N 4.79 0.00 -1.39 4.02 0.24 -0.31 -4.69 118.33 120.98 1fba n VAL 108 Ca 0.09 -0.34 -0.31 0.00 -2.04 0.00 0.00 64.34 61.74 1fba n VAL 108 Cb 0.48 0.90 0.08 0.00 -1.47 0.00 0.00 33.84 33.83 1fba n VAL 108 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1fba s ASP 109 N -1.64 4.73 -0.27 -1.34 1.47 -1.25 -4.86 116.67 113.51 1fba s ASP 109 Ca 0.01 1.67 0.10 0.00 1.18 0.00 0.00 52.55 55.51 1fba s ASP 109 Cb 0.04 -2.44 0.49 0.00 -0.34 0.00 0.00 42.92 40.67 1fba s ASP 109 CO 0.20 -1.87 1.41 0.29 0.68 0.00 0.00 175.17 175.88 1fba n LYS 110 N -3.40 1.82 0.00 2.11 5.02 0.38 -4.96 118.16 119.12 1fba n LYS 110 Ca 0.08 -3.19 0.00 0.00 -2.02 0.00 0.00 58.31 53.19 1fba n LYS 110 Cb 0.54 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 1fba n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fba n GLY 111 N -1.11 -2.84 3.92 0.72 0.00 -1.25 -4.71 105.19 99.92 1fba n GLY 111 Ca 0.30 -1.70 -0.27 0.00 0.00 0.00 0.00 46.02 44.34 1fba n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fba s VAL 112 N -0.95 5.12 0.02 1.61 -7.23 -1.26 -1.55 120.40 116.16 1fba s VAL 112 Ca 0.00 -0.20 0.01 0.00 -1.81 0.00 0.00 61.98 59.98 1fba s VAL 112 Cb 0.00 -3.75 -0.02 0.00 0.56 0.00 0.00 36.38 33.18 1fba s VAL 112 CO 0.00 -0.27 -0.05 0.68 -0.31 0.00 0.00 175.10 175.15 1fba s VAL 113 N -2.00 0.30 0.38 1.32 -7.23 -0.31 -4.91 120.40 107.95 1fba s VAL 113 Ca 0.41 -0.72 -0.26 0.00 -1.81 0.00 0.00 61.98 59.59 1fba s VAL 113 Cb -0.11 -0.36 -0.09 0.00 0.56 0.00 0.00 36.38 36.38 1fba s VAL 113 CO 0.30 -0.28 1.20 -2.16 -0.31 0.00 0.00 175.10 173.85 1fba s PRO 114 N -1.07 4.15 -0.50 4.82 0.04 -1.26 -1.34 135.00 139.84 1fba s PRO 114 Ca -0.08 1.94 -0.21 0.00 0.04 0.00 0.00 61.00 62.69 1fba s PRO 114 Cb -0.07 -2.80 0.04 0.00 0.04 0.00 0.00 34.50 31.71 1fba s PRO 114 CO -0.00 -0.27 0.72 -0.51 0.04 0.00 0.00 177.00 176.98 1fba s LEU 115 N -2.27 4.60 0.16 -3.56 1.43 -0.25 -4.84 118.68 113.96 1fba s LEU 115 Ca 0.54 -0.60 -0.31 0.00 -1.03 0.00 0.00 54.13 52.73 1fba s LEU 115 Cb -0.33 -2.63 -0.11 0.00 0.03 0.00 0.00 46.19 43.14 1fba s LEU 115 CO 0.43 -0.96 1.77 0.12 0.23 0.00 0.00 176.35 177.94 1fba s PHE 116 N 3.05 2.54 0.00 0.29 5.36 -1.26 -1.17 117.98 126.79 1fba s PHE 116 Ca 0.21 0.18 0.00 0.00 -0.96 0.00 0.00 56.93 56.36 1fba s PHE 116 Cb -0.16 -4.15 0.00 0.00 -0.34 0.00 0.00 43.02 38.37 1fba s PHE 116 CO 0.16 -4.54 0.00 0.41 -1.46 0.00 0.00 175.22 169.79 1fba n GLY 117 N 4.09 2.14 3.77 13.12 0.00 -1.26 -5.05 105.19 122.00 1fba n GLY 117 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1fba n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fba s SER 118 N -2.18 3.96 -1.36 1.61 1.04 -0.31 -4.93 113.70 111.54 1fba s SER 118 Ca 0.00 1.34 -0.11 0.00 0.48 0.00 0.00 55.95 57.66 1fba s SER 118 Cb 0.00 -2.04 0.11 0.00 0.10 0.00 0.00 66.02 64.19 1fba s SER 118 CO 0.00 -2.31 2.03 -0.62 0.98 0.00 0.00 173.24 173.32 1fba n GLU 119 N -3.66 3.30 -3.25 4.02 1.02 -1.26 -4.57 120.64 116.26 1fba n GLU 119 Ca 0.07 -3.14 -0.18 0.00 -0.02 0.00 0.00 57.16 53.89 1fba n GLU 119 Cb 0.56 -3.08 0.05 0.00 -0.02 0.00 0.00 31.44 28.96 1fba n GLU 119 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1fba n ASP 120 N 4.78 -5.27 -4.82 1.62 2.03 -1.26 -5.00 116.55 108.62 1fba n ASP 120 Ca 0.45 -0.37 -0.22 0.00 0.52 0.00 0.00 54.79 55.17 1fba n ASP 120 Cb 0.37 -3.91 -0.04 0.00 -0.72 0.00 0.00 41.12 36.82 1fba n ASP 120 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1fba s GLU 121 N -5.90 2.65 0.21 -0.67 2.02 -1.26 -4.90 118.70 110.85 1fba s GLU 121 Ca 0.41 -1.34 0.01 0.00 0.02 0.00 0.00 54.97 54.06 1fba s GLU 121 Cb -0.18 -2.41 -0.05 0.00 0.10 0.00 0.00 34.13 31.59 1fba s GLU 121 CO 0.51 0.11 0.07 0.14 0.02 0.00 0.00 175.26 176.11 1fba s VAL 122 N -2.32 0.43 0.36 2.63 -7.23 -1.26 -1.09 120.40 111.91 1fba s VAL 122 Ca 0.40 -1.98 0.04 0.00 -1.81 0.00 0.00 61.98 58.62 1fba s VAL 122 Cb -0.05 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.45 1fba s VAL 122 CO 0.26 -0.18 0.15 0.28 -0.31 0.00 0.00 175.10 175.30 1fba s THR 123 N -3.84 0.50 -0.03 5.32 -1.32 -0.45 -4.84 115.64 110.99 1fba s THR 123 Ca 0.33 -2.00 0.05 0.00 -1.21 0.00 0.00 61.69 58.86 1fba s THR 123 Cb 0.07 -2.45 -0.03 0.00 -1.51 0.00 0.00 72.50 68.58 1fba s THR 123 CO 0.09 0.00 -0.16 -0.89 -2.21 0.00 0.00 174.62 171.45 1fba s THR 124 N -3.37 2.91 0.38 5.08 2.01 -1.26 -1.16 115.64 120.23 1fba s THR 124 Ca 0.30 -0.85 0.08 0.00 0.31 0.00 0.00 61.69 61.53 1fba s THR 124 Cb 0.04 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 1fba s THR 124 CO 0.17 0.54 0.34 0.00 -0.69 0.00 0.00 174.62 174.98 1fba s GLN 125 N -0.87 2.63 0.00 4.92 -2.07 -0.59 -4.91 119.66 118.77 1fba s GLN 125 Ca 0.12 -1.41 0.00 0.00 -1.82 0.00 0.00 55.36 52.25 1fba s GLN 125 Cb -0.11 -2.43 0.00 0.00 -1.09 0.00 0.00 33.01 29.38 1fba s GLN 125 CO 0.01 -0.05 0.00 0.41 -1.32 0.00 0.00 175.29 174.34 1fba n GLY 126 N -1.47 0.44 0.22 2.60 0.00 -1.26 -0.47 105.19 105.25 1fba n GLY 126 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 1fba n GLY 126 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fba h LEU 127 N 0.00 0.00 -9.46 0.99 3.38 -1.91 -3.42 115.31 104.89 1fba h LEU 127 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1fba h LEU 127 Cb 0.00 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.77 1fba h LEU 127 CO 0.00 0.18 1.01 -1.81 0.09 0.00 0.00 178.44 177.91 1fba s ASP 128 N -6.13 6.58 -1.67 -0.43 1.01 -1.26 -1.61 116.67 113.16 1fba s ASP 128 Ca 0.02 2.52 0.00 0.00 0.71 0.00 0.00 52.55 55.80 1fba s ASP 128 Cb 0.09 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.45 1fba s ASP 128 CO 0.64 -0.90 0.00 0.47 0.21 0.00 0.00 175.17 175.59 1fba n ASP 129 N 5.53 -5.01 -0.08 0.27 8.00 -1.26 -4.88 116.55 119.12 1fba n ASP 129 Ca 0.16 0.21 0.01 0.00 0.71 0.00 0.00 54.79 55.87 1fba n ASP 129 Cb 0.40 -4.31 0.30 0.00 -0.02 0.00 0.00 41.12 37.50 1fba n ASP 129 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1fba h LEU 130 N 0.00 0.63 -0.47 0.64 5.85 -1.55 -1.89 115.31 118.52 1fba h LEU 130 Ca -0.40 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 1fba h LEU 130 Cb 1.26 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1fba h LEU 130 CO 0.51 0.55 0.23 0.00 -0.34 0.00 0.00 178.44 179.39 1fba h ALA 131 N 1.55 0.61 -0.29 1.25 0.00 -1.89 0.12 119.26 120.60 1fba h ALA 131 Ca 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1fba h ALA 131 Cb 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1fba h ALA 131 CO -0.02 0.17 0.11 0.00 0.00 0.00 0.00 179.25 179.51 1fba h ALA 132 N 1.07 0.37 -0.72 0.00 0.00 -1.89 -1.05 119.26 117.05 1fba h ALA 132 Ca 0.16 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1fba h ALA 132 Cb 0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1fba h ALA 132 CO -0.02 -0.02 0.47 0.00 0.00 0.00 0.00 179.25 179.68 1fba h ARG 133 N 0.31 0.93 -0.56 0.00 3.08 -1.01 -1.93 114.38 115.19 1fba h ARG 133 Ca 0.10 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1fba h ARG 133 Cb 0.19 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1fba h ARG 133 CO -0.01 0.62 0.23 0.00 -1.07 0.00 0.00 179.97 179.74 1fba h ALA 135 N 1.07 1.37 -0.04 0.00 0.00 -0.82 0.03 119.26 120.87 1fba h ALA 135 Ca 0.19 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1fba h ALA 135 Cb 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1fba h ALA 135 CO -0.02 0.46 -0.09 0.37 0.00 0.00 0.00 179.25 179.97 1fba h GLN 136 N 0.67 0.14 -0.86 0.00 5.75 -0.96 -2.78 115.11 117.06 1fba h GLN 136 Ca 0.15 -0.09 0.07 0.00 -0.15 0.00 0.00 58.65 58.63 1fba h GLN 136 Cb 0.22 0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.73 1fba h GLN 136 CO -0.01 0.68 0.56 1.88 -2.65 0.00 0.00 178.83 179.30 1fba h TYR 137 N -0.38 0.97 -0.31 3.99 0.05 -0.77 -0.83 116.97 119.68 1fba h TYR 137 Ca 0.00 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.74 1fba h TYR 137 Cb 0.68 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 1fba h TYR 137 CO 0.12 0.50 -0.06 -0.22 -1.05 0.00 0.00 178.16 177.45 1fba h LYS 138 N 0.94 0.59 -0.31 4.88 1.63 -1.02 -0.67 116.57 122.62 1fba h LYS 138 Ca 0.38 -0.22 -0.02 0.00 -0.85 0.00 0.00 60.65 59.93 1fba h LYS 138 Cb 0.25 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.83 1fba h LYS 138 CO -0.14 0.77 0.08 -0.22 -3.45 0.00 0.00 179.45 176.49 1fba h LYS 139 N 0.37 0.44 -0.30 1.90 3.64 -1.13 -2.47 116.57 119.03 1fba h LYS 139 Ca 0.08 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1fba h LYS 139 Cb 0.54 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1fba h LYS 139 CO 0.03 0.40 0.00 -0.25 -2.27 0.00 0.00 179.45 177.36 1fba n ASP 140 N -4.38 1.61 0.00 4.20 8.00 -0.37 -4.89 116.55 120.73 1fba n ASP 140 Ca 0.01 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.51 1fba n ASP 140 Cb 0.16 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 1fba n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fba n GLY 141 N 0.97 1.06 3.86 0.44 0.00 -0.93 -5.04 105.19 105.56 1fba n GLY 141 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1fba n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fba n ASP 143 N 1.53 0.51 -4.10 0.00 8.00 0.12 -4.11 116.55 118.51 1fba n ASP 143 Ca -0.14 -0.35 -0.09 0.00 0.71 0.00 0.00 54.79 54.92 1fba n ASP 143 Cb 0.53 0.81 -0.10 0.00 -0.02 0.00 0.00 41.12 42.34 1fba n ASP 143 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1fba s PHE 144 N -0.91 0.66 0.14 1.24 -0.71 -1.19 -1.50 117.98 115.70 1fba s PHE 144 Ca 0.00 -1.10 0.01 0.00 -1.04 0.00 0.00 56.93 54.80 1fba s PHE 144 Cb 0.00 -0.39 -0.04 0.00 -1.21 0.00 0.00 43.02 41.38 1fba s PHE 144 CO 0.00 -0.49 -0.01 0.00 -1.34 0.00 0.00 175.22 173.38 1fba s ALA 145 N -3.99 1.13 -0.02 1.99 0.00 0.11 -2.21 121.76 118.78 1fba s ALA 145 Ca 0.17 -1.48 0.02 0.00 0.00 0.00 0.00 51.96 50.66 1fba s ALA 145 Cb 0.07 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.65 1fba s ALA 145 CO -0.03 -0.32 -0.08 0.21 0.00 0.00 0.00 175.76 175.54 1fba s LYS 146 N -3.91 0.80 -0.13 0.00 2.20 -0.52 -1.18 119.74 117.01 1fba s LYS 146 Ca 0.19 -0.26 -0.05 0.00 -0.36 0.00 0.00 55.97 55.49 1fba s LYS 146 Cb 0.06 -0.76 0.06 0.00 -1.51 0.00 0.00 37.83 35.68 1fba s LYS 146 CO 0.00 0.11 0.28 -0.46 -0.36 0.00 0.00 175.35 174.92 1fba s TRP 147 N 0.13 -0.43 -0.22 4.03 -0.11 -1.25 -1.16 118.94 119.93 1fba s TRP 147 Ca -0.02 0.97 -0.06 0.00 1.22 0.00 0.00 56.10 58.21 1fba s TRP 147 Cb -0.07 0.02 -0.03 0.00 -1.50 0.00 0.00 33.47 31.89 1fba s TRP 147 CO 0.00 -0.33 0.04 0.50 -4.62 0.00 0.00 176.95 172.55 1fba s ARG 148 N 2.06 3.70 0.01 5.86 3.52 -1.26 -3.35 118.95 129.49 1fba s ARG 148 Ca -0.02 -0.47 0.02 0.00 -0.13 0.00 0.00 55.73 55.13 1fba s ARG 148 Cb -0.11 -3.21 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 1fba s ARG 148 CO -0.09 -0.03 -0.02 0.00 -0.81 0.00 0.00 175.30 174.35 1fba s VAL 150 N -1.09 1.97 -0.06 0.00 1.01 -1.26 -0.51 120.40 120.46 1fba s VAL 150 Ca 0.20 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.30 1fba s VAL 150 Cb -0.11 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 1fba s VAL 150 CO 0.10 0.53 -0.22 -0.76 0.00 0.00 0.00 175.10 174.76 1fba s LEU 151 N 0.81 2.27 -0.10 3.92 1.43 0.33 -4.64 118.68 122.70 1fba s LEU 151 Ca -0.08 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 1fba s LEU 151 Cb -0.16 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 1fba s LEU 151 CO -0.01 0.26 -0.15 -0.54 0.23 0.00 0.00 176.35 176.14 1fba s LYS 152 N -0.24 3.06 -0.18 1.70 1.02 -1.26 -0.57 119.74 123.27 1fba s LYS 152 Ca -0.01 -0.71 -0.21 0.00 0.02 0.00 0.00 55.97 55.06 1fba s LYS 152 Cb -0.13 -2.51 -0.03 0.00 -0.52 0.00 0.00 37.83 34.64 1fba s LYS 152 CO 0.03 0.35 0.64 0.42 -0.92 0.00 0.00 175.35 175.87 1fba s ILE 153 N -0.00 5.02 0.00 2.17 1.01 -1.26 -2.35 121.20 125.78 1fba s ILE 153 Ca -0.04 1.23 0.00 0.00 0.00 0.00 0.00 60.65 61.84 1fba s ILE 153 Cb -0.14 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1fba s ILE 153 CO 0.04 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.72 1fba n GLY 154 N 3.69 3.73 0.14 6.18 0.00 -0.60 -4.83 105.19 113.49 1fba n GLY 154 Ca -0.01 -1.23 -0.07 0.00 0.00 0.00 0.00 46.02 44.71 1fba n GLY 154 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1fba h LYS 155 N 0.00 0.18 0.00 1.61 3.64 -2.00 -3.22 116.57 116.78 1fba h LYS 155 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1fba h LYS 155 Cb 0.00 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1fba h LYS 155 CO 0.00 0.12 -0.00 0.09 -2.27 0.00 0.00 179.45 177.39 1fba n ASN 156 N -5.08 1.93 -4.35 4.20 3.02 -1.26 -5.05 115.26 108.66 1fba n ASN 156 Ca 0.00 -1.98 -0.26 0.00 -0.03 0.00 0.00 54.58 52.31 1fba n ASN 156 Cb 0.13 -0.01 -0.12 0.00 -0.61 0.00 0.00 39.78 39.17 1fba n ASN 156 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1fba s THR 157 N -1.00 2.02 0.37 3.41 -4.23 -1.22 -3.84 115.64 111.15 1fba s THR 157 Ca 0.01 -1.78 -0.26 0.00 -1.18 0.00 0.00 61.69 58.48 1fba s THR 157 Cb 0.01 -1.86 -0.09 0.00 1.34 0.00 0.00 72.50 71.90 1fba s THR 157 CO 0.00 -0.08 1.14 -2.16 -0.54 0.00 0.00 174.62 172.99 1fba s PRO 158 N -2.28 4.23 0.65 3.99 0.04 -0.99 -1.56 135.00 139.09 1fba s PRO 158 Ca 0.13 1.80 -0.07 0.00 0.04 0.00 0.00 61.00 62.91 1fba s PRO 158 Cb -0.09 -2.80 0.03 0.00 0.04 0.00 0.00 34.50 31.68 1fba s PRO 158 CO 0.06 -0.15 0.97 -1.54 0.04 0.00 0.00 177.00 176.38 1fba s SER 159 N -1.10 5.23 0.27 6.66 1.04 -1.25 -4.92 113.70 119.63 1fba s SER 159 Ca 0.54 0.64 -0.02 0.00 0.48 0.00 0.00 55.95 57.58 1fba s SER 159 Cb -0.30 -1.46 0.41 0.00 0.10 0.00 0.00 66.02 64.76 1fba s SER 159 CO 0.38 -1.33 1.89 0.22 0.98 0.00 0.00 173.24 175.39 1fba h TYR 160 N -0.41 1.19 0.01 5.02 3.20 -2.00 -1.75 116.97 122.24 1fba h TYR 160 Ca -0.45 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.48 1fba h TYR 160 Cb 1.28 -0.39 -0.03 0.00 1.54 0.00 0.00 36.73 39.12 1fba h TYR 160 CO 0.41 0.64 -0.18 0.37 -1.64 0.00 0.00 178.16 177.76 1fba h GLN 161 N 1.19 -0.29 -0.51 1.82 4.15 -2.00 -0.71 115.11 118.77 1fba h GLN 161 Ca 0.42 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.85 1fba h GLN 161 Cb 0.12 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 1fba h GLN 161 CO -0.15 -0.19 0.31 1.03 -1.93 0.00 0.00 178.83 177.89 1fba h SER 162 N -0.30 0.61 -0.07 -0.69 0.87 -1.87 -0.84 113.55 111.25 1fba h SER 162 Ca 0.05 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1fba h SER 162 Cb 0.37 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1fba h SER 162 CO -0.16 0.48 0.03 0.40 -0.53 0.00 0.00 176.83 177.05 1fba h ILE 163 N 0.68 1.14 -0.00 2.23 2.04 -1.17 -0.71 117.51 121.71 1fba h ILE 163 Ca 0.18 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.65 1fba h ILE 163 Cb -0.02 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1fba h ILE 163 CO -0.03 0.12 -0.10 0.25 0.00 0.00 0.00 178.15 178.39 1fba h LEU 164 N -0.04 -0.28 -0.24 1.44 5.85 -1.00 -1.57 115.31 119.47 1fba h LEU 164 Ca 0.02 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1fba h LEU 164 Cb 0.16 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1fba h LEU 164 CO -0.00 -0.14 0.03 -0.08 -0.34 0.00 0.00 178.44 177.90 1fba h GLU 165 N -0.16 0.40 -0.39 1.25 4.57 -1.11 -1.18 114.58 117.96 1fba h GLU 165 Ca 0.04 -0.12 -0.09 0.00 -1.18 0.00 0.00 59.36 58.01 1fba h GLU 165 Cb 0.21 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 1fba h GLU 165 CO -0.10 0.55 -0.15 -0.91 -1.18 0.00 0.00 179.01 177.23 1fba h ASN 166 N 0.20 0.70 -0.50 1.04 2.35 -1.13 0.37 115.58 118.61 1fba h ASN 166 Ca 0.07 -0.22 -0.05 0.00 -0.55 0.00 0.00 56.30 55.56 1fba h ASN 166 Cb 0.35 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1fba h ASN 166 CO 0.01 0.86 0.13 0.00 -1.65 0.00 0.00 177.43 176.78 1fba h ALA 167 N 1.20 0.66 -0.31 -0.83 0.00 -1.25 -1.35 119.26 117.39 1fba h ALA 167 Ca 0.10 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1fba h ALA 167 Cb 0.61 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1fba h ALA 167 CO 0.04 0.35 -0.10 -0.97 0.00 0.00 0.00 179.25 178.57 1fba h ASN 168 N 0.69 0.62 -0.67 0.00 -1.24 -0.78 -2.44 115.58 111.76 1fba h ASN 168 Ca 0.16 -0.38 -0.07 0.00 0.71 0.00 0.00 56.30 56.72 1fba h ASN 168 Cb 0.33 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 39.18 1fba h ASN 168 CO 0.00 0.86 0.14 1.62 -1.29 0.00 0.00 177.43 178.77 1fba h VAL 169 N 0.38 1.26 -0.75 2.57 3.04 -0.83 -1.31 116.25 120.60 1fba h VAL 169 Ca 0.07 -0.99 0.03 0.00 -1.01 0.00 0.00 66.70 64.81 1fba h VAL 169 Cb 0.60 0.58 -0.05 0.00 -2.01 0.00 0.00 31.29 30.42 1fba h VAL 169 CO 0.04 0.38 0.47 -0.07 -1.01 0.00 0.00 177.57 177.37 1fba h LEU 170 N 1.04 0.77 -0.86 3.16 3.38 -1.17 -1.16 115.31 120.47 1fba h LEU 170 Ca 0.21 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 1fba h LEU 170 Cb 0.39 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1fba h LEU 170 CO 0.01 0.53 -0.07 0.00 0.09 0.00 0.00 178.44 179.00 1fba h ALA 171 N 1.32 1.04 -0.14 1.53 0.00 -0.91 -0.91 119.26 121.20 1fba h ALA 171 Ca 0.30 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1fba h ALA 171 Cb 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1fba h ALA 171 CO -0.12 0.59 0.05 0.00 0.00 0.00 0.00 179.25 179.76 1fba h ARG 172 N 0.71 0.21 -0.31 0.00 2.47 -0.81 -1.53 114.38 115.12 1fba h ARG 172 Ca 0.13 -0.04 0.04 0.00 -1.26 0.00 0.00 59.98 58.85 1fba h ARG 172 Cb 0.53 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.78 1fba h ARG 172 CO 0.03 0.33 0.08 -0.92 0.56 0.00 0.00 179.97 180.05 1fba h TYR 173 N 0.05 0.14 -0.32 3.04 3.20 -1.09 -2.18 116.97 119.80 1fba h TYR 173 Ca 0.04 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 1fba h TYR 173 Cb 0.21 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 1fba h TYR 173 CO -0.01 0.05 0.08 0.00 -1.64 0.00 0.00 178.16 176.65 1fba h ALA 174 N 1.21 0.42 -0.42 1.82 0.00 -1.08 -1.78 119.26 119.43 1fba h ALA 174 Ca 0.14 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1fba h ALA 174 Cb 0.14 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1fba h ALA 174 CO -0.17 0.08 0.06 1.03 0.00 0.00 0.00 179.25 180.25 1fba h SER 175 N 0.36 -0.04 -0.25 0.00 0.87 -1.17 -1.04 113.55 112.29 1fba h SER 175 Ca 0.10 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1fba h SER 175 Cb 0.28 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1fba h SER 175 CO -0.00 0.02 0.12 0.40 -0.53 0.00 0.00 176.83 176.83 1fba h ILE 176 N 0.19 1.15 -0.21 2.23 2.04 -1.08 -0.97 117.51 120.85 1fba h ILE 176 Ca 0.21 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.68 1fba h ILE 176 Cb 0.27 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1fba h ILE 176 CO -0.29 0.14 0.02 0.00 0.00 0.00 0.00 178.15 178.03 1fba h GLN 178 N 0.09 0.81 -0.01 0.00 4.20 -0.94 -0.47 115.11 118.79 1fba h GLN 178 Ca 0.10 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 1fba h GLN 178 Cb 0.11 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 1fba h GLN 178 CO -0.15 0.54 -0.11 0.66 -0.67 0.00 0.00 178.83 179.09 1fba h SER 179 N 0.84 0.02 -0.50 1.46 4.64 -0.43 -2.55 113.55 117.02 1fba h SER 179 Ca 0.29 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.54 1fba h SER 179 Cb 0.10 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.15 1fba h SER 179 CO -0.09 0.13 0.07 0.00 -0.87 0.00 0.00 176.83 176.08 1fba n GLN 180 N -4.39 3.79 -2.62 4.77 1.13 -0.28 -4.95 117.38 114.82 1fba n GLN 180 Ca -0.02 -3.05 -0.16 0.00 -1.94 0.00 0.00 57.00 51.83 1fba n GLN 180 Cb 0.19 -2.10 0.01 0.00 0.11 0.00 0.00 30.24 28.46 1fba n GLN 180 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1fba n ARG 181 N -0.05 -2.72 -5.11 -1.09 1.74 -0.96 -4.75 116.66 103.71 1fba n ARG 181 Ca 0.30 0.69 -0.31 0.00 -0.77 0.00 0.00 57.85 57.75 1fba n ARG 181 Cb 1.14 -5.02 -0.17 0.00 -1.02 0.00 0.00 32.46 27.39 1fba n ARG 181 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1fba s ILE 182 N -2.91 1.99 -0.16 0.55 1.01 -0.63 -4.90 121.20 116.15 1fba s ILE 182 Ca 0.14 -0.97 -0.29 0.00 0.00 0.00 0.00 60.65 59.53 1fba s ILE 182 Cb -0.06 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.67 1fba s ILE 182 CO 0.18 0.54 1.21 -0.69 0.00 0.00 0.00 174.94 176.18 1fba s VAL 183 N 0.42 4.36 -0.05 2.92 1.01 -0.56 -2.91 120.40 125.58 1fba s VAL 183 Ca -0.17 1.65 -0.25 0.00 0.00 0.00 0.00 61.98 63.20 1fba s VAL 183 Cb -0.18 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 1fba s VAL 183 CO 0.07 -0.12 0.77 -2.16 0.00 0.00 0.00 175.10 173.66 1fba s PRO 184 N 3.22 4.47 -0.34 2.72 0.04 -1.26 -0.71 135.00 143.14 1fba s PRO 184 Ca 0.53 1.01 -0.20 0.00 0.04 0.00 0.00 61.00 62.38 1fba s PRO 184 Cb -0.21 -3.45 -0.00 0.00 0.04 0.00 0.00 34.50 30.88 1fba s PRO 184 CO 0.14 0.03 0.60 0.42 0.04 0.00 0.00 177.00 178.24 1fba s ILE 185 N 0.86 4.93 -0.25 0.56 1.01 -0.32 -2.66 121.20 125.33 1fba s ILE 185 Ca 0.41 0.61 -0.28 0.00 0.00 0.00 0.00 60.65 61.39 1fba s ILE 185 Cb -0.18 -4.02 0.01 0.00 0.01 0.00 0.00 42.46 38.27 1fba s ILE 185 CO 0.20 -0.24 0.99 -0.69 0.00 0.00 0.00 174.94 175.21 1fba s VAL 186 N 2.60 4.69 -0.47 2.92 1.01 -0.19 -3.82 120.40 127.14 1fba s VAL 186 Ca 0.23 1.83 0.03 0.00 0.00 0.00 0.00 61.98 64.07 1fba s VAL 186 Cb -0.15 -4.28 0.14 0.00 0.00 0.00 0.00 36.38 32.09 1fba s VAL 186 CO 0.14 -0.22 0.27 -0.70 0.00 0.00 0.00 175.10 174.59 1fba s GLU 187 N 3.19 1.49 -1.05 2.72 2.12 -1.21 0.10 118.70 126.05 1fba s GLU 187 Ca 0.42 -2.23 -0.16 0.00 0.36 0.00 0.00 54.97 53.36 1fba s GLU 187 Cb -0.14 -2.55 0.17 0.00 0.26 0.00 0.00 34.13 31.86 1fba s GLU 187 CO 0.08 -1.17 1.22 -1.25 -0.54 0.00 0.00 175.26 173.60 1fba s PRO 188 N 0.07 3.85 -0.28 4.30 0.05 -1.26 -0.89 135.00 140.85 1fba s PRO 188 Ca 0.19 -2.28 -0.27 0.00 0.05 0.00 0.00 61.00 58.69 1fba s PRO 188 Cb -0.21 -4.91 0.01 0.00 0.05 0.00 0.00 34.50 29.44 1fba s PRO 188 CO -0.02 -1.69 0.97 -2.00 0.05 0.00 0.00 177.00 174.32 1fba s GLU 189 N 1.70 4.13 -0.38 4.56 2.12 0.33 -4.56 118.70 126.59 1fba s GLU 189 Ca 0.35 1.06 -0.24 0.00 0.36 0.00 0.00 54.97 56.50 1fba s GLU 189 Cb -0.05 -3.69 0.01 0.00 0.26 0.00 0.00 34.13 30.67 1fba s GLU 189 CO -0.05 -0.72 0.84 0.08 -0.54 0.00 0.00 175.26 174.87 1fba s VAL 190 N 3.26 4.65 0.54 3.70 1.01 -1.26 -0.51 120.40 131.78 1fba s VAL 190 Ca 0.41 0.93 -0.21 0.00 0.00 0.00 0.00 61.98 63.11 1fba s VAL 190 Cb -0.14 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 1fba s VAL 190 CO 0.11 -0.54 1.23 -0.76 0.00 0.00 0.00 175.10 175.14 1fba s LEU 191 N 3.31 3.82 0.11 3.92 1.43 0.26 -4.86 118.68 126.67 1fba s LEU 191 Ca 0.34 2.44 0.27 0.00 -1.03 0.00 0.00 54.13 56.15 1fba s LEU 191 Cb -0.12 -4.41 0.86 0.00 0.03 0.00 0.00 46.19 42.54 1fba s LEU 191 CO 0.19 -1.36 1.73 -0.81 0.23 0.00 0.00 176.35 176.33 1fba n PRO 192 N -1.10 0.15 -1.65 1.29 -0.04 -1.26 -4.52 135.00 127.87 1fba n PRO 192 Ca 0.11 0.10 -0.46 0.00 -0.04 0.00 0.00 63.50 63.21 1fba n PRO 192 Cb 0.48 -1.65 -0.03 0.00 -0.04 0.00 0.00 33.50 32.26 1fba n PRO 192 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1fba n ASP 193 N -1.91 2.43 0.00 3.54 9.92 -1.26 -0.78 116.55 128.49 1fba n ASP 193 Ca 0.06 1.14 0.00 0.00 -0.53 0.00 0.00 54.79 55.46 1fba n ASP 193 Cb 0.39 -1.38 0.00 0.00 -0.64 0.00 0.00 41.12 39.49 1fba n ASP 193 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1fba n GLY 194 N 2.10 0.85 0.50 0.44 0.00 -1.26 -4.64 105.19 103.18 1fba n GLY 194 Ca 0.12 -2.31 0.08 0.00 0.00 0.00 0.00 46.02 43.91 1fba n GLY 194 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fba n ASP 195 N 0.00 2.89 -4.74 1.61 5.75 -1.26 -1.19 116.55 119.60 1fba n ASP 195 Ca 0.00 -3.18 -0.30 0.00 -0.01 0.00 0.00 54.79 51.30 1fba n ASP 195 Cb 0.00 -0.50 0.11 0.00 -1.03 0.00 0.00 41.12 39.71 1fba n ASP 195 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1fba s HIS 196 N -2.92 2.45 0.70 2.11 -3.43 -1.26 -4.61 115.29 108.32 1fba s HIS 196 Ca 0.37 1.43 -0.02 0.00 -0.80 0.00 0.00 55.06 56.05 1fba s HIS 196 Cb 0.32 -3.10 0.11 0.00 -1.43 0.00 0.00 32.58 28.48 1fba s HIS 196 CO 0.04 -2.07 0.97 0.16 -2.00 0.00 0.00 174.74 171.83 1fba s ASP 197 N -3.39 4.52 0.35 7.38 1.47 -1.26 -0.07 116.67 125.67 1fba s ASP 197 Ca 0.62 -0.19 0.02 0.00 1.18 0.00 0.00 52.55 54.18 1fba s ASP 197 Cb -0.18 -0.30 0.63 0.00 -0.34 0.00 0.00 42.92 42.74 1fba s ASP 197 CO 0.56 -1.74 2.00 0.25 0.68 0.00 0.00 175.17 176.93 1fba h LEU 198 N -0.46 0.70 -0.07 2.11 5.85 -1.92 -2.17 115.31 119.35 1fba h LEU 198 Ca -0.39 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 1fba h LEU 198 Cb 1.28 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 1fba h LEU 198 CO 0.44 0.53 0.04 -0.78 -0.34 0.00 0.00 178.44 178.34 1fba h ASP 199 N 0.82 0.09 -0.36 1.25 3.58 -1.95 0.13 116.42 119.99 1fba h ASP 199 Ca 0.22 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 1fba h ASP 199 Cb -0.06 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 1fba h ASP 199 CO -0.04 0.11 0.20 -0.09 -2.88 0.00 0.00 179.24 176.54 1fba h ARG 200 N 0.06 0.50 -0.82 0.28 2.43 -1.91 -1.08 114.38 113.84 1fba h ARG 200 Ca 0.03 -0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.21 1fba h ARG 200 Cb 0.03 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.42 1fba h ARG 200 CO -0.01 0.41 0.49 0.00 -1.51 0.00 0.00 179.97 179.36 1fba h ALA 201 N 1.07 1.14 -0.26 2.80 0.00 -1.18 0.01 119.26 122.84 1fba h ALA 201 Ca 0.13 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1fba h ALA 201 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1fba h ALA 201 CO -0.02 0.19 -0.16 0.37 0.00 0.00 0.00 179.25 179.63 1fba h GLN 202 N 0.88 0.57 -0.47 0.00 4.15 -0.30 -1.35 115.11 118.58 1fba h GLN 202 Ca 0.37 -0.26 -0.02 0.00 0.77 0.00 0.00 58.65 59.51 1fba h GLN 202 Cb 0.24 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 1fba h GLN 202 CO -0.20 0.83 0.20 0.87 -1.93 0.00 0.00 178.83 178.60 1fba h LYS 203 N 0.29 0.70 -0.01 1.69 1.57 -0.95 -0.93 116.57 118.94 1fba h LYS 203 Ca 0.05 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1fba h LYS 203 Cb 0.68 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1fba h LYS 203 CO 0.04 0.62 -0.04 0.28 -0.57 0.00 0.00 179.45 179.78 1fba h VAL 204 N 0.62 0.89 -0.54 0.50 2.07 -0.96 -1.60 116.25 117.23 1fba h VAL 204 Ca 0.16 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.70 1fba h VAL 204 Cb 0.17 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1fba h VAL 204 CO -0.01 0.00 0.33 0.74 0.02 0.00 0.00 177.57 178.65 1fba h THR 205 N -0.07 1.08 -0.91 2.57 2.02 -1.07 0.04 112.91 116.56 1fba h THR 205 Ca 0.02 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 1fba h THR 205 Cb 0.10 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 66.82 1fba h THR 205 CO -0.05 0.12 0.52 -0.33 0.37 0.00 0.00 175.52 176.15 1fba h GLU 206 N 0.67 1.26 -0.15 6.66 5.08 -1.05 -1.24 114.58 125.81 1fba h GLU 206 Ca 0.21 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1fba h GLU 206 Cb -0.01 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 1fba h GLU 206 CO -0.08 0.91 0.01 1.15 -1.00 0.00 0.00 179.01 180.00 1fba h THR 207 N 1.27 1.24 -0.17 1.13 2.02 -0.56 -2.41 112.91 115.43 1fba h THR 207 Ca 0.32 -0.80 0.03 0.00 0.77 0.00 0.00 66.41 66.73 1fba h THR 207 Cb -0.00 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 1fba h THR 207 CO -0.05 0.24 0.00 0.58 0.37 0.00 0.00 175.52 176.65 1fba h VAL 208 N 0.02 0.89 -0.37 3.16 2.07 -0.79 -2.74 116.25 118.49 1fba h VAL 208 Ca 0.04 -0.02 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 1fba h VAL 208 Cb 0.35 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1fba h VAL 208 CO 0.01 0.01 -0.09 -0.07 0.02 0.00 0.00 177.57 177.45 1fba h LEU 209 N 0.06 0.60 -0.81 2.57 3.38 -1.22 -0.87 115.31 119.03 1fba h LEU 209 Ca 0.08 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1fba h LEU 209 Cb 0.09 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1fba h LEU 209 CO -0.13 0.74 0.34 0.00 0.09 0.00 0.00 178.44 179.48 1fba h ALA 210 N 1.33 1.05 -0.33 1.53 0.00 -1.29 -1.86 119.26 119.69 1fba h ALA 210 Ca 0.11 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1fba h ALA 210 Cb 0.50 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1fba h ALA 210 CO 0.03 0.66 -0.12 0.00 0.00 0.00 0.00 179.25 179.82 1fba h ALA 211 N 1.18 0.45 -0.36 0.00 0.00 -1.15 -2.16 119.26 117.22 1fba h ALA 211 Ca 0.27 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1fba h ALA 211 Cb 0.19 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1fba h ALA 211 CO -0.03 0.32 -0.00 0.28 0.00 0.00 0.00 179.25 179.83 1fba h VAL 212 N 0.43 0.73 0.00 0.00 2.07 -0.87 -0.88 116.25 117.73 1fba h VAL 212 Ca 0.08 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.50 1fba h VAL 212 Cb 0.63 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1fba h VAL 212 CO 0.04 0.02 -0.32 1.88 0.02 0.00 0.00 177.57 179.21 1fba h TYR 213 N 0.10 0.00 -0.23 1.57 0.05 -1.31 -0.99 116.97 116.15 1fba h TYR 213 Ca 0.17 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.76 1fba h TYR 213 Cb 0.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.99 1fba h TYR 213 CO -0.25 0.32 -0.62 -0.22 -1.05 0.00 0.00 178.16 176.34 1fba h LYS 214 N 0.00 0.83 -0.68 4.88 1.63 -0.93 -2.19 116.57 120.11 1fba h LYS 214 Ca -0.00 -0.58 -0.08 0.00 -0.85 0.00 0.00 60.65 59.14 1fba h LYS 214 Cb 0.90 0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 32.59 1fba h LYS 214 CO 0.04 1.21 0.13 0.00 -3.45 0.00 0.00 179.45 177.38 1fba h ALA 215 N 0.62 0.91 -0.41 5.00 0.00 -1.01 0.06 119.26 124.43 1fba h ALA 215 Ca -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1fba h ALA 215 Cb 1.24 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1fba h ALA 215 CO 0.13 0.66 0.11 -0.07 0.00 0.00 0.00 179.25 180.09 1fba h LEU 216 N 1.05 0.56 -0.13 0.00 3.38 -1.09 -0.96 115.31 118.12 1fba h LEU 216 Ca 0.21 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1fba h LEU 216 Cb 0.43 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1fba h LEU 216 CO 0.01 0.55 -0.16 -1.28 0.09 0.00 0.00 178.44 177.66 1fba h SER 217 N 0.60 0.37 -0.87 -0.43 0.87 -0.95 -0.65 113.55 112.49 1fba h SER 217 Ca 0.14 -0.50 0.11 0.00 -1.23 0.00 0.00 61.79 60.30 1fba h SER 217 Cb 0.21 -0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.01 1fba h SER 217 CO -0.01 0.80 0.56 0.44 -0.53 0.00 0.00 176.83 178.09 1fba h ASP 218 N -0.05 0.74 -0.57 6.23 3.32 -0.55 -1.63 116.42 123.91 1fba h ASP 218 Ca 0.02 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1fba h ASP 218 Cb 0.70 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1fba h ASP 218 CO 0.04 0.43 0.00 1.41 -1.72 0.00 0.00 179.24 179.39 1fba n HIS 219 N -4.53 0.99 -3.61 4.55 8.25 -0.40 -4.90 115.22 115.56 1fba n HIS 219 Ca 0.15 -0.44 -0.24 0.00 -0.26 0.00 0.00 57.72 56.94 1fba n HIS 219 Cb 0.35 -0.09 0.07 0.00 1.12 0.00 0.00 29.99 31.44 1fba n HIS 219 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1fba n HIS 220 N 1.10 -2.68 -2.69 4.41 8.25 -0.61 -4.93 115.22 118.07 1fba n HIS 220 Ca 0.21 0.99 -0.41 0.00 -0.26 0.00 0.00 57.72 58.25 1fba n HIS 220 Cb 0.62 -4.90 -0.05 0.00 1.12 0.00 0.00 29.99 26.77 1fba n HIS 220 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1fba s VAL 221 N -3.34 4.14 -0.65 1.59 1.01 -0.32 -4.96 120.40 117.89 1fba s VAL 221 Ca 0.49 1.97 -0.27 0.00 0.00 0.00 0.00 61.98 64.17 1fba s VAL 221 Cb -0.22 -4.26 0.03 0.00 0.00 0.00 0.00 36.38 31.94 1fba s VAL 221 CO 0.74 0.40 1.18 -0.47 0.00 0.00 0.00 175.10 176.96 1fba s TYR 222 N -0.65 2.50 0.32 5.22 5.04 -1.26 -4.85 117.35 123.67 1fba s TYR 222 Ca 0.44 0.12 0.00 0.00 -2.44 0.00 0.00 57.07 55.20 1fba s TYR 222 Cb -0.26 -4.50 0.52 0.00 0.35 0.00 0.00 41.96 38.07 1fba s TYR 222 CO 0.32 -1.76 1.93 -0.07 -1.34 0.00 0.00 175.55 174.64 1fba h LEU 223 N 12.22 0.77 -1.97 6.97 3.38 -1.94 -1.58 115.31 133.17 1fba h LEU 223 Ca -0.27 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 1fba h LEU 223 Cb 1.06 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1fba h LEU 223 CO 1.21 0.64 -0.08 -0.33 0.09 0.00 0.00 178.44 179.96 1fba h GLU 224 N 0.87 0.00 -0.84 1.13 3.07 -1.90 -1.94 114.58 114.96 1fba h GLU 224 Ca 0.22 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 58.83 1fba h GLU 224 Cb 0.05 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 27.81 1fba h GLU 224 CO -0.03 0.08 0.32 0.41 -1.40 0.00 0.00 179.01 178.39 1fba n GLY 225 N -0.59 3.58 3.29 -3.84 0.00 -0.59 -4.41 105.19 102.63 1fba n GLY 225 Ca -0.01 -0.89 -0.16 0.00 0.00 0.00 0.00 46.02 44.96 1fba n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fba s THR 226 N -2.73 0.87 0.13 2.61 -4.23 -0.73 -4.16 115.64 107.40 1fba s THR 226 Ca 0.49 -2.01 0.07 0.00 -1.18 0.00 0.00 61.69 59.05 1fba s THR 226 Cb 0.40 -2.28 -0.04 0.00 1.34 0.00 0.00 72.50 71.92 1fba s THR 226 CO 0.11 -0.36 -0.16 -0.76 -0.54 0.00 0.00 174.62 172.92 1fba s LEU 227 N -3.25 2.40 -0.08 4.79 1.43 -1.09 -3.34 118.68 119.54 1fba s LEU 227 Ca 0.27 -0.81 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 1fba s LEU 227 Cb 0.06 -0.66 -0.03 0.00 0.03 0.00 0.00 46.19 45.59 1fba s LEU 227 CO 0.07 -0.09 -0.09 -0.22 0.23 0.00 0.00 176.35 176.25 1fba s LEU 228 N -2.46 3.05 -0.58 1.79 2.96 -0.75 -1.02 118.68 121.68 1fba s LEU 228 Ca 0.10 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 53.96 1fba s LEU 228 Cb -0.06 -1.67 0.15 0.00 0.50 0.00 0.00 46.19 45.12 1fba s LEU 228 CO 0.04 0.32 0.36 -0.75 -1.32 0.00 0.00 176.35 175.00 1fba s LYS 229 N -0.56 2.00 0.35 1.98 2.20 0.11 -0.09 119.74 125.74 1fba s LYS 229 Ca 0.08 -2.80 0.06 0.00 -0.36 0.00 0.00 55.97 52.95 1fba s LYS 229 Cb -0.12 -3.07 -0.01 0.00 -1.51 0.00 0.00 37.83 33.12 1fba s LYS 229 CO 0.02 -1.21 0.49 -1.25 -0.36 0.00 0.00 175.35 173.03 1fba s PRO 230 N -0.67 3.11 0.54 4.03 0.04 -1.26 -4.06 135.00 136.73 1fba s PRO 230 Ca 0.22 -0.95 -0.19 0.00 0.04 0.00 0.00 61.00 60.11 1fba s PRO 230 Cb -0.14 -2.79 -0.06 0.00 0.04 0.00 0.00 34.50 31.54 1fba s PRO 230 CO -0.09 0.03 1.10 0.54 0.04 0.00 0.00 177.00 178.63 1fba s ASN 231 N -4.18 5.85 0.57 6.66 4.22 -1.26 -2.17 114.94 124.63 1fba s ASN 231 Ca 0.45 2.10 -0.17 0.00 -2.14 0.00 0.00 52.86 53.10 1fba s ASN 231 Cb -0.10 -2.57 -0.05 0.00 1.28 0.00 0.00 41.25 39.81 1fba s ASN 231 CO 0.32 -1.13 1.06 -0.04 -2.04 0.00 0.00 177.10 175.27 1fba s MET 232 N -3.33 3.40 -0.38 3.55 -1.94 -1.26 -4.96 119.30 114.38 1fba s MET 232 Ca 0.71 1.28 -0.25 0.00 -1.71 0.00 0.00 55.69 55.73 1fba s MET 232 Cb -0.22 -2.04 0.01 0.00 2.01 0.00 0.00 34.83 34.60 1fba s MET 232 CO 0.26 -0.76 0.86 0.08 -0.01 0.00 0.00 175.02 175.46 1fba s VAL 233 N -2.28 4.64 0.06 -6.03 1.01 -1.26 -5.02 120.40 111.52 1fba s VAL 233 Ca 0.65 1.00 -0.00 0.00 0.00 0.00 0.00 61.98 63.63 1fba s VAL 233 Cb -0.17 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 1fba s VAL 233 CO 0.32 -0.53 -0.04 0.42 0.00 0.00 0.00 175.10 175.28 1fba s THR 234 N 3.34 0.35 0.99 3.92 -4.23 -1.26 -4.59 115.64 114.16 1fba s THR 234 Ca 0.35 -1.85 -0.12 0.00 -1.18 0.00 0.00 61.69 58.90 1fba s THR 234 Cb -0.12 -1.57 0.19 0.00 1.34 0.00 0.00 72.50 72.33 1fba s THR 234 CO 0.19 -0.96 1.08 0.00 -0.54 0.00 0.00 174.62 174.39 1fba s ALA 235 N -3.84 0.85 0.77 3.99 0.00 -1.26 -4.66 121.76 117.60 1fba s ALA 235 Ca 0.08 -0.01 -0.15 0.00 0.00 0.00 0.00 51.96 51.89 1fba s ALA 235 Cb 0.07 -3.24 0.04 0.00 0.00 0.00 0.00 23.12 19.99 1fba s ALA 235 CO -0.08 -2.93 1.06 0.41 0.00 0.00 0.00 175.76 174.21 1fba n GLY 236 N -0.33 -0.29 0.28 0.00 0.00 0.90 -4.89 105.19 100.86 1fba n GLY 236 Ca 0.06 -0.42 0.11 0.00 0.00 0.00 0.00 46.02 45.78 1fba n GLY 236 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1fba h GLN 237 N -0.59 0.00 -0.27 1.61 5.75 -0.22 -1.35 115.11 120.05 1fba h GLN 237 Ca -0.47 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 1fba h GLN 237 Cb 1.32 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.87 1fba h GLN 237 CO 0.46 0.01 0.00 0.43 -2.65 0.00 0.00 178.83 177.08 1fba n SER 238 N -4.19 2.82 -4.98 -0.69 7.64 -0.34 -4.95 113.62 108.93 1fba n SER 238 Ca -0.03 -1.90 -0.19 0.00 1.01 0.00 0.00 58.87 57.76 1fba n SER 238 Cb 0.10 -0.17 0.02 0.00 -1.01 0.00 0.00 64.21 63.14 1fba n SER 238 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fba s ALA 240 N -1.66 4.49 0.51 -0.43 0.00 -0.51 -4.80 121.76 119.35 1fba s ALA 240 Ca 0.35 -1.82 -0.23 0.00 0.00 0.00 0.00 51.96 50.26 1fba s ALA 240 Cb 0.21 -1.37 -0.06 0.00 0.00 0.00 0.00 23.12 21.90 1fba s ALA 240 CO 0.30 -0.47 1.40 0.21 0.00 0.00 0.00 175.76 177.20 1fba s LYS 241 N -4.40 3.35 0.45 0.00 2.20 -1.26 -4.87 119.74 115.21 1fba s LYS 241 Ca 0.54 2.35 -0.22 0.00 -0.36 0.00 0.00 55.97 58.28 1fba s LYS 241 Cb -0.07 -2.42 -0.09 0.00 -1.51 0.00 0.00 37.83 33.74 1fba s LYS 241 CO 0.33 -1.06 1.03 0.15 -0.36 0.00 0.00 175.35 175.43 1fba s LYS 242 N -2.72 3.98 0.34 4.03 1.02 -1.26 -4.81 119.74 120.31 1fba s LYS 242 Ca 0.67 1.38 0.04 0.00 0.02 0.00 0.00 55.97 58.09 1fba s LYS 242 Cb -0.43 -2.25 -0.01 0.00 -0.52 0.00 0.00 37.83 34.62 1fba s LYS 242 CO 0.52 -0.28 0.50 -0.80 -0.92 0.00 0.00 175.35 174.37 1fba s ASN 243 N -1.87 6.03 0.53 2.83 -0.87 -1.26 -5.10 114.94 115.24 1fba s ASN 243 Ca 0.63 0.01 -0.11 0.00 -1.57 0.00 0.00 52.86 51.82 1fba s ASN 243 Cb -0.17 -1.48 -0.05 0.00 -0.02 0.00 0.00 41.25 39.53 1fba s ASN 243 CO 0.21 -0.41 0.94 0.42 -2.57 0.00 0.00 177.10 175.69 1fba s THR 244 N -2.23 4.71 0.34 1.60 -4.23 -1.26 -4.90 115.64 109.67 1fba s THR 244 Ca 0.43 0.81 0.07 0.00 -1.18 0.00 0.00 61.69 61.82 1fba s THR 244 Cb -0.10 -3.81 0.31 0.00 1.34 0.00 0.00 72.50 70.25 1fba s THR 244 CO 0.32 -0.88 1.87 -0.65 -0.54 0.00 0.00 174.62 174.74 1fba h PRO 245 N 0.34 0.75 -0.27 3.99 0.11 -1.97 -0.76 132.00 134.20 1fba h PRO 245 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1fba h PRO 245 Cb 1.19 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1fba h PRO 245 CO 0.62 0.50 0.17 1.49 -0.21 0.00 0.00 178.00 180.57 1fba h GLU 246 N 0.78 0.36 -0.18 1.05 4.81 -1.95 -0.10 114.58 119.35 1fba h GLU 246 Ca 0.45 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.64 1fba h GLU 246 Cb 0.63 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1fba h GLU 246 CO -0.21 0.27 0.06 0.93 -0.73 0.00 0.00 179.01 179.32 1fba h GLU 247 N 0.35 0.29 -0.15 1.92 5.08 -1.63 -2.10 114.58 118.33 1fba h GLU 247 Ca 0.10 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1fba h GLU 247 Cb -0.01 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1fba h GLU 247 CO -0.02 0.39 0.00 0.82 -1.00 0.00 0.00 179.01 179.21 1fba h ILE 248 N 0.12 0.90 -0.60 3.13 2.04 -1.12 -2.21 117.51 119.77 1fba h ILE 248 Ca 0.06 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.93 1fba h ILE 248 Cb 0.23 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1fba h ILE 248 CO -0.00 0.01 0.37 0.00 0.00 0.00 0.00 178.15 178.52 1fba h ALA 249 N 1.12 0.77 0.04 1.87 0.00 -0.99 -0.36 119.26 121.72 1fba h ALA 249 Ca 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1fba h ALA 249 Cb 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1fba h ALA 249 CO -0.11 0.10 -0.02 1.25 0.00 0.00 0.00 179.25 180.47 1fba h LEU 250 N 0.72 -0.05 -0.97 0.00 5.85 -1.18 -0.85 115.31 118.84 1fba h LEU 250 Ca 0.24 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.70 1fba h LEU 250 Cb 0.02 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 1fba h LEU 250 CO -0.10 0.29 0.62 0.00 -0.34 0.00 0.00 178.44 178.91 1fba h ALA 251 N 0.54 1.31 0.12 1.25 0.00 -1.32 0.26 119.26 121.42 1fba h ALA 251 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1fba h ALA 251 Cb 0.36 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1fba h ALA 251 CO 0.01 0.46 -0.06 1.15 0.00 0.00 0.00 179.25 180.81 1fba h THR 252 N 1.17 1.06 -0.29 0.00 2.02 -0.98 -1.10 112.91 114.80 1fba h THR 252 Ca 0.40 -0.76 -0.05 0.00 0.77 0.00 0.00 66.41 66.76 1fba h THR 252 Cb 0.08 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1fba h THR 252 CO -0.15 0.18 -0.06 0.58 0.37 0.00 0.00 175.52 176.45 1fba h VAL 253 N -0.52 1.20 -0.35 3.16 2.07 -0.96 -1.83 116.25 119.01 1fba h VAL 253 Ca -0.02 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 1fba h VAL 253 Cb 0.42 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1fba h VAL 253 CO 0.03 0.28 0.05 1.56 0.02 0.00 0.00 177.57 179.50 1fba h GLN 254 N 0.43 0.59 -0.58 1.57 4.20 -0.85 -1.00 115.11 119.47 1fba h GLN 254 Ca 0.09 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1fba h GLN 254 Cb 0.37 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 1fba h GLN 254 CO 0.02 0.67 0.34 0.00 -0.67 0.00 0.00 178.83 179.19 1fba h ALA 255 N 0.90 0.74 -0.38 3.87 0.00 -0.79 -2.45 119.26 121.14 1fba h ALA 255 Ca 0.11 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1fba h ALA 255 Cb 0.37 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1fba h ALA 255 CO 0.01 0.23 -0.09 -0.07 0.00 0.00 0.00 179.25 179.32 1fba h LEU 256 N 0.78 0.75 -1.75 0.00 3.38 -1.30 -2.97 115.31 114.19 1fba h LEU 256 Ca 0.21 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 57.87 1fba h LEU 256 Cb -0.00 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1fba h LEU 256 CO -0.04 0.93 0.27 0.03 0.09 0.00 0.00 178.44 179.73 1fba h ARG 257 N 0.55 0.31 -0.00 1.13 3.08 -0.94 -0.48 114.38 118.03 1fba h ARG 257 Ca 0.10 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1fba h ARG 257 Cb 0.61 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1fba h ARG 257 CO 0.04 0.20 -0.30 0.54 -1.07 0.00 0.00 179.97 179.39 1fba n ARG 258 N -4.48 0.13 0.00 0.04 1.74 -0.94 -4.56 116.66 108.60 1fba n ARG 258 Ca 0.05 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1fba n ARG 258 Cb 0.23 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 1fba n ARG 258 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1fba n THR 259 N -1.38 0.00 -3.33 0.55 -2.24 -0.90 -5.00 114.28 101.99 1fba n THR 259 Ca 0.07 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.43 1fba n THR 259 Cb 0.33 -0.17 -0.09 0.00 -2.10 0.00 0.00 70.33 68.31 1fba n THR 259 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1fba s VAL 260 N -1.22 5.10 0.56 2.28 1.01 -0.24 -4.77 120.40 123.12 1fba s VAL 260 Ca 0.00 -0.29 -0.21 0.00 0.00 0.00 0.00 61.98 61.49 1fba s VAL 260 Cb 0.00 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 1fba s VAL 260 CO 0.00 -0.38 1.17 -2.65 0.00 0.00 0.00 175.10 173.24 1fba n PRO 261 N 5.58 1.32 0.23 2.72 -0.02 -1.26 -4.81 135.00 138.75 1fba n PRO 261 Ca -0.07 0.49 0.13 0.00 -2.02 0.00 0.00 63.50 62.03 1fba n PRO 261 Cb 0.48 -2.36 0.76 0.00 -0.02 0.00 0.00 33.50 32.36 1fba n PRO 261 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fba h ALA 262 N 1.04 1.89 0.00 3.55 0.00 -1.96 -2.01 119.26 121.76 1fba h ALA 262 Ca -0.49 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1fba h ALA 262 Cb 1.33 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1fba h ALA 262 CO 0.54 -0.13 -0.01 0.00 0.00 0.00 0.00 179.25 179.65 1fba h ALA 263 N 1.93 1.85 -2.40 0.00 0.00 -1.94 -3.42 119.26 115.28 1fba h ALA 263 Ca 0.04 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.41 1fba h ALA 263 Cb 0.20 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.01 1fba h ALA 263 CO -0.00 0.02 1.14 0.08 0.00 0.00 0.00 179.25 180.48 1fba s VAL 264 N -4.92 2.96 0.20 0.00 1.01 -0.76 -3.64 120.40 115.25 1fba s VAL 264 Ca -0.05 0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.04 1fba s VAL 264 Cb 0.16 -3.14 0.14 0.00 0.00 0.00 0.00 36.38 33.55 1fba s VAL 264 CO 0.64 -0.01 1.86 0.74 0.00 0.00 0.00 175.10 178.33 1fba h THR 265 N 5.20 1.19 -2.28 3.92 2.02 -1.70 -3.45 112.91 117.82 1fba h THR 265 Ca -0.46 -0.38 0.13 0.00 0.77 0.00 0.00 66.41 66.47 1fba h THR 265 Cb 1.22 0.16 -0.13 0.00 -1.74 0.00 0.00 68.15 67.66 1fba h THR 265 CO 0.94 0.19 0.50 -0.83 0.37 0.00 0.00 175.52 176.69 1fba s GLY 266 N -2.90 -0.41 -0.16 2.16 0.00 -1.26 -3.64 107.32 101.12 1fba s GLY 266 Ca -0.13 0.78 0.00 0.00 0.00 0.00 0.00 44.72 45.38 1fba s GLY 266 CO 0.78 0.25 -0.16 0.14 0.00 0.00 0.00 173.10 174.11 1fba s VAL 267 N -3.15 2.60 -0.37 1.40 1.01 0.16 -1.81 120.40 120.25 1fba s VAL 267 Ca 0.07 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1fba s VAL 267 Cb -0.01 -2.10 0.10 0.00 0.00 0.00 0.00 36.38 34.37 1fba s VAL 267 CO -0.06 0.51 0.09 0.42 0.00 0.00 0.00 175.10 176.06 1fba s THR 268 N 0.91 2.43 0.37 3.92 -4.23 0.88 -0.79 115.64 119.13 1fba s THR 268 Ca -0.04 -2.42 -0.27 0.00 -1.18 0.00 0.00 61.69 57.78 1fba s THR 268 Cb -0.15 -2.77 -0.10 0.00 1.34 0.00 0.00 72.50 70.82 1fba s THR 268 CO -0.02 -0.63 1.33 -0.36 -0.54 0.00 0.00 174.62 174.40 1fba s PHE 269 N 0.80 2.87 0.37 3.99 0.08 -0.44 -4.18 117.98 121.47 1fba s PHE 269 Ca 0.11 1.38 -0.11 0.00 0.12 0.00 0.00 56.93 58.43 1fba s PHE 269 Cb -0.20 -3.73 -0.07 0.00 -0.57 0.00 0.00 43.02 38.46 1fba s PHE 269 CO -0.07 -2.13 0.73 -0.48 -0.10 0.00 0.00 175.22 173.17 1fba s LEU 270 N -2.14 3.92 0.05 -0.37 0.05 -0.92 -1.06 118.68 118.21 1fba s LEU 270 Ca 0.53 1.11 0.22 0.00 0.05 0.00 0.00 54.13 56.04 1fba s LEU 270 Cb -0.40 -3.96 -0.16 0.00 -2.05 0.00 0.00 46.19 39.62 1fba s LEU 270 CO 0.53 -0.32 0.77 -1.54 -0.55 0.00 0.00 176.35 175.23 1fba n SER 271 N -1.00 0.41 0.00 1.48 3.41 -1.26 -4.33 113.62 112.33 1fba n SER 271 Ca 0.02 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1fba n SER 271 Cb 0.54 1.29 0.00 0.00 -0.26 0.00 0.00 64.21 65.77 1fba n SER 271 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fba n GLY 272 N 1.28 2.99 1.37 5.00 0.00 -1.26 -2.25 105.19 112.32 1fba n GLY 272 Ca -0.01 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 45.90 1fba n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fba n GLY 273 N 0.00 2.35 3.77 -0.02 0.00 -1.26 -4.77 105.19 105.25 1fba n GLY 273 Ca 0.00 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 1fba n GLY 273 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fba s GLN 274 N -1.37 4.14 1.08 1.61 -0.21 -0.95 -2.01 119.66 121.94 1fba s GLN 274 Ca 0.47 2.10 -0.12 0.00 0.02 0.00 0.00 55.36 57.82 1fba s GLN 274 Cb 0.27 -2.86 0.23 0.00 1.00 0.00 0.00 33.01 31.65 1fba s GLN 274 CO 0.28 -0.33 1.06 -1.54 -2.12 0.00 0.00 175.29 172.64 1fba s SER 275 N -0.74 1.79 0.21 5.90 1.04 -1.26 -4.12 113.70 116.52 1fba s SER 275 Ca 0.54 1.49 -0.10 0.00 0.48 0.00 0.00 55.95 58.36 1fba s SER 275 Cb -0.37 -2.20 0.16 0.00 0.10 0.00 0.00 66.02 63.71 1fba s SER 275 CO 0.48 -3.69 1.88 -0.33 0.98 0.00 0.00 173.24 172.56 1fba h GLU 276 N -2.28 1.00 -0.13 4.02 5.08 -1.79 -2.18 114.58 118.31 1fba h GLU 276 Ca -0.57 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 57.68 1fba h GLU 276 Cb 1.32 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1fba h GLU 276 CO 0.52 0.66 -0.12 1.49 -1.00 0.00 0.00 179.01 180.56 1fba h GLU 277 N 1.03 0.30 -0.45 2.33 4.57 -1.85 -3.06 114.58 117.45 1fba h GLU 277 Ca 0.28 -0.16 0.05 0.00 -1.18 0.00 0.00 59.36 58.35 1fba h GLU 277 Cb -0.12 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.43 1fba h GLU 277 CO -0.06 0.70 0.17 0.93 -1.18 0.00 0.00 179.01 179.57 1fba h GLU 278 N -0.08 0.34 -0.90 1.92 5.08 -1.89 -0.80 114.58 118.25 1fba h GLU 278 Ca 0.02 -0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.50 1fba h GLU 278 Cb 0.65 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.75 1fba h GLU 278 CO 0.03 0.23 0.58 0.00 -1.00 0.00 0.00 179.01 178.85 1fba h ALA 279 N 1.28 1.81 0.01 3.43 0.00 -1.41 0.41 119.26 124.80 1fba h ALA 279 Ca 0.21 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1fba h ALA 279 Cb 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1fba h ALA 279 CO -0.20 -0.06 -0.21 1.15 0.00 0.00 0.00 179.25 179.94 1fba h THR 280 N 0.71 1.60 -0.61 0.00 2.02 -1.22 -2.91 112.91 112.50 1fba h THR 280 Ca 0.45 -2.05 -0.01 0.00 0.77 0.00 0.00 66.41 65.58 1fba h THR 280 Cb 0.71 2.94 -0.03 0.00 -1.74 0.00 0.00 68.15 70.03 1fba h THR 280 CO -0.21 0.55 0.34 0.58 0.37 0.00 0.00 175.52 177.15 1fba h VAL 281 N -0.63 1.19 -0.56 3.16 2.07 -0.66 -1.20 116.25 119.63 1fba h VAL 281 Ca -0.03 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 1fba h VAL 281 Cb 1.02 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1fba h VAL 281 CO 0.04 0.21 0.22 0.78 0.02 0.00 0.00 177.57 178.84 1fba h ASN 282 N 0.83 0.78 -0.82 0.57 2.35 -0.30 -2.05 115.58 116.93 1fba h ASN 282 Ca 0.22 -0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 1fba h ASN 282 Cb 0.03 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.16 1fba h ASN 282 CO -0.04 0.74 0.35 0.25 -1.65 0.00 0.00 177.43 177.08 1fba h LEU 283 N 0.77 1.11 -0.29 1.61 5.85 -1.25 -1.91 115.31 121.19 1fba h LEU 283 Ca 0.19 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1fba h LEU 283 Cb 0.20 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1fba h LEU 283 CO -0.02 0.97 0.18 -1.28 -0.34 0.00 0.00 178.44 177.96 1fba h SER 284 N 1.19 0.35 -0.74 1.25 0.87 -0.93 -2.51 113.55 113.03 1fba h SER 284 Ca 0.28 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1fba h SER 284 Cb 0.19 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.02 1fba h SER 284 CO -0.03 0.30 0.46 0.00 -0.53 0.00 0.00 176.83 177.03 1fba h ALA 285 N 1.07 1.41 -0.97 6.23 0.00 -1.16 -1.97 119.26 123.87 1fba h ALA 285 Ca 0.11 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1fba h ALA 285 Cb 0.01 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.44 1fba h ALA 285 CO -0.02 0.52 0.64 0.82 0.00 0.00 0.00 179.25 181.21 1fba h ILE 286 N 1.02 1.19 -0.07 0.00 2.04 -0.97 -0.60 117.51 120.13 1fba h ILE 286 Ca 0.27 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1fba h ILE 286 Cb -0.06 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 35.85 1fba h ILE 286 CO -0.05 0.23 0.00 0.59 0.00 0.00 0.00 178.15 178.91 1fba n ASN 287 N -4.43 0.38 0.00 1.72 3.02 -0.76 -3.10 115.26 112.10 1fba n ASN 287 Ca 0.13 -1.91 0.00 0.00 -0.03 0.00 0.00 54.58 52.76 1fba n ASN 287 Cb 0.08 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 1fba n ASN 287 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1fba n ASN 288 N -0.33 1.75 -4.73 6.41 3.02 -0.25 -4.65 115.26 116.48 1fba n ASN 288 Ca 0.04 -1.79 -0.42 0.00 -0.03 0.00 0.00 54.58 52.38 1fba n ASN 288 Cb 0.07 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 1fba n ASN 288 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1fba s VAL 289 N -0.79 3.17 -1.27 2.41 1.01 -1.12 -4.89 120.40 118.92 1fba s VAL 289 Ca 0.00 0.92 -0.08 0.00 0.00 0.00 0.00 61.98 62.81 1fba s VAL 289 Cb 0.00 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.70 1fba s VAL 289 CO 0.00 0.12 2.76 -0.81 0.00 0.00 0.00 175.10 177.16 1fba n PRO 290 N 3.05 3.06 -3.88 2.72 -0.04 -1.26 -4.75 135.00 133.90 1fba n PRO 290 Ca 0.08 -1.86 -0.10 0.00 -0.04 0.00 0.00 63.50 61.58 1fba n PRO 290 Cb 0.42 -2.62 -0.09 0.00 -0.04 0.00 0.00 33.50 31.18 1fba n PRO 290 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1fba s LEU 291 N 0.13 1.58 0.17 1.53 1.43 -1.26 -5.13 118.68 117.12 1fba s LEU 291 Ca 0.60 -0.40 -0.32 0.00 -1.03 0.00 0.00 54.13 52.99 1fba s LEU 291 Cb 0.17 0.76 -0.10 0.00 0.03 0.00 0.00 46.19 47.05 1fba s LEU 291 CO -0.05 -0.50 1.60 -0.63 0.23 0.00 0.00 176.35 177.01 1fba s ILE 292 N -2.34 2.54 -0.39 -0.59 1.01 -1.26 -4.97 121.20 115.19 1fba s ILE 292 Ca -0.07 0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.97 1fba s ILE 292 Cb -0.02 -3.24 0.11 0.00 0.01 0.00 0.00 42.46 39.32 1fba s ILE 292 CO -0.03 0.03 0.15 -0.13 0.00 0.00 0.00 174.94 174.95 1fba s ARG 293 N 1.25 1.29 0.00 2.79 0.52 -1.26 -4.97 118.95 118.56 1fba s ARG 293 Ca 0.71 -1.81 0.30 0.00 -0.52 0.00 0.00 55.73 54.41 1fba s ARG 293 Cb -0.45 -2.65 1.58 0.00 0.52 0.00 0.00 34.95 33.95 1fba s ARG 293 CO 0.31 -1.04 2.05 -0.35 0.02 0.00 0.00 175.30 176.30 1fba n PRO 294 N 4.04 0.59 -4.37 3.54 -0.04 -1.26 -4.81 135.00 132.69 1fba n PRO 294 Ca 0.04 0.01 -0.22 0.00 -0.04 0.00 0.00 63.50 63.29 1fba n PRO 294 Cb 0.38 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.24 1fba n PRO 294 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1fba s TRP 295 N -2.39 1.92 0.26 0.54 0.51 -1.26 -4.99 118.94 113.53 1fba s TRP 295 Ca 0.33 -0.46 -0.30 0.00 -2.12 0.00 0.00 56.10 53.55 1fba s TRP 295 Cb 0.20 -0.91 -0.11 0.00 -0.81 0.00 0.00 33.47 31.84 1fba s TRP 295 CO 0.41 0.43 1.59 0.00 -0.51 0.00 0.00 176.95 178.87 1fba s ALA 296 N -2.37 3.76 -0.40 0.98 0.00 -1.24 -4.88 121.76 117.63 1fba s ALA 296 Ca 0.21 1.52 -0.01 0.00 0.00 0.00 0.00 51.96 53.68 1fba s ALA 296 Cb -0.04 -3.64 0.11 0.00 0.00 0.00 0.00 23.12 19.54 1fba s ALA 296 CO 0.08 -0.92 0.17 -0.51 0.00 0.00 0.00 175.76 174.59 1fba s LEU 297 N -0.07 5.14 0.00 0.00 1.43 -1.26 -0.66 118.68 123.26 1fba s LEU 297 Ca 0.65 -2.07 0.00 0.00 -1.03 0.00 0.00 54.13 51.68 1fba s LEU 297 Cb -0.47 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 43.97 1fba s LEU 297 CO 0.43 -0.50 0.00 1.07 0.23 0.00 0.00 176.35 177.58 1fba n THR 298 N 4.50 0.00 -4.39 5.49 5.66 0.03 -4.66 114.28 120.90 1fba n THR 298 Ca -0.01 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.71 1fba n THR 298 Cb 0.41 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.07 1fba n THR 298 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1fba s PHE 299 N 0.24 2.34 -0.42 1.09 -0.71 -1.26 -1.33 117.98 117.93 1fba s PHE 299 Ca 0.00 -0.36 0.04 0.00 -1.04 0.00 0.00 56.93 55.58 1fba s PHE 299 Cb 0.00 -1.21 0.17 0.00 -1.21 0.00 0.00 43.02 40.77 1fba s PHE 299 CO 0.00 0.42 0.38 0.45 -1.34 0.00 0.00 175.22 175.13 1fba s SER 300 N -2.37 1.17 -0.07 1.98 0.15 -0.22 -0.32 113.70 114.02 1fba s SER 300 Ca 0.18 -2.84 -0.01 0.00 0.70 0.00 0.00 55.95 53.98 1fba s SER 300 Cb -0.09 -0.15 -0.03 0.00 -1.71 0.00 0.00 66.02 64.04 1fba s SER 300 CO 0.08 -0.17 -0.00 -0.31 1.20 0.00 0.00 173.24 174.05 1fba s TYR 301 N 0.24 3.13 0.00 3.44 2.02 -0.74 -4.32 117.35 121.13 1fba s TYR 301 Ca 0.31 0.16 0.00 0.00 -0.37 0.00 0.00 57.07 57.18 1fba s TYR 301 Cb 0.01 -1.76 0.00 0.00 -0.40 0.00 0.00 41.96 39.82 1fba s TYR 301 CO -0.17 0.46 0.00 0.41 -1.57 0.00 0.00 175.55 174.68 1fba n GLY 302 N 1.98 0.10 0.37 0.71 0.00 -1.26 -0.49 105.19 106.59 1fba n GLY 302 Ca -0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.91 1fba n GLY 302 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1fba h ARG 303 N 0.00 0.95 0.00 1.61 3.08 -1.94 -1.64 114.38 116.43 1fba h ARG 303 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1fba h ARG 303 Cb 0.00 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.84 1fba h ARG 303 CO 0.00 0.63 0.00 0.00 -1.07 0.00 0.00 179.97 179.53 1fba n ALA 304 N -2.38 1.69 0.17 0.04 0.00 -1.26 -1.35 120.51 117.41 1fba n ALA 304 Ca 0.16 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.62 1fba n ALA 304 Cb 0.29 -1.24 -0.11 0.00 0.00 0.00 0.00 19.45 18.40 1fba n ALA 304 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fba n LEU 305 N -1.47 0.17 -0.00 0.00 4.77 -0.66 -4.69 117.00 115.13 1fba n LEU 305 Ca 0.04 -0.13 0.01 0.00 -0.03 0.00 0.00 56.01 55.90 1fba n LEU 305 Cb 0.16 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1fba n LEU 305 CO 0.13 0.04 -0.08 0.00 -1.33 0.00 0.00 177.39 176.16 1fba n GLN 306 N -1.85 5.62 -0.05 3.23 6.02 -0.67 -4.66 117.38 125.02 1fba n GLN 306 Ca -0.01 -0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.87 1fba n GLN 306 Cb 0.35 -0.63 -0.04 0.00 1.02 0.00 0.00 30.24 30.94 1fba n GLN 306 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fba h ALA 307 N 0.18 0.27 -0.28 -1.58 0.00 -1.49 -1.61 119.26 114.76 1fba h ALA 307 Ca 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1fba h ALA 307 Cb 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1fba h ALA 307 CO 0.00 -0.21 -0.10 0.77 0.00 0.00 0.00 179.25 179.71 1fba h SER 308 N 0.25 0.44 -0.13 0.00 0.02 -1.86 -2.04 113.55 110.23 1fba h SER 308 Ca 0.08 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1fba h SER 308 Cb 0.04 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1fba h SER 308 CO -0.01 0.58 0.06 0.58 -1.14 0.00 0.00 176.83 176.90 1fba h VAL 309 N 0.43 1.00 -0.38 2.27 2.07 -1.70 -1.49 116.25 118.44 1fba h VAL 309 Ca 0.08 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 1fba h VAL 309 Cb 0.44 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1fba h VAL 309 CO 0.02 0.02 0.09 -0.07 0.02 0.00 0.00 177.57 177.66 1fba h LEU 310 N 0.13 0.58 -0.30 2.57 3.38 -1.10 -1.41 115.31 119.17 1fba h LEU 310 Ca 0.05 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1fba h LEU 310 Cb 0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1fba h LEU 310 CO -0.04 0.67 0.17 -0.09 0.09 0.00 0.00 178.44 179.23 1fba h ARG 311 N 0.48 0.34 -0.28 1.13 2.43 -1.29 -1.00 114.38 116.19 1fba h ARG 311 Ca 0.12 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1fba h ARG 311 Cb 0.31 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1fba h ARG 311 CO 0.00 0.22 0.10 0.00 -1.51 0.00 0.00 179.97 178.79 1fba h ALA 312 N 1.14 0.36 0.61 2.80 0.00 -1.18 -3.27 119.26 119.73 1fba h ALA 312 Ca 0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1fba h ALA 312 Cb 0.01 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.70 1fba h ALA 312 CO -0.06 -0.03 -0.29 2.35 0.00 0.00 0.00 179.25 181.21 1fba h TRP 313 N 0.29 -0.76 -3.90 0.00 7.01 -1.13 -3.43 115.95 114.03 1fba h TRP 313 Ca 0.09 -0.02 -0.30 0.00 2.11 0.00 0.00 58.89 60.77 1fba h TRP 313 Cb 0.20 0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 27.50 1fba h TRP 313 CO -0.00 -0.44 -0.40 0.00 -2.79 0.00 0.00 178.44 174.80 1fba n ALA 314 N -2.51 -0.79 -1.00 2.65 0.00 -0.39 -1.80 120.51 116.67 1fba n ALA 314 Ca -0.13 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1fba n ALA 314 Cb 0.35 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1fba n ALA 314 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fba n GLY 315 N -0.94 0.57 3.59 0.00 0.00 -1.26 -4.92 105.19 102.23 1fba n GLY 315 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1fba n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fba s LYS 316 N -0.03 3.04 0.40 1.61 1.02 -0.74 -5.00 119.74 120.04 1fba s LYS 316 Ca 0.00 -0.50 0.08 0.00 0.02 0.00 0.00 55.97 55.57 1fba s LYS 316 Cb 0.00 -2.72 0.84 0.00 -0.52 0.00 0.00 37.83 35.42 1fba s LYS 316 CO 0.00 0.57 1.99 0.87 -0.92 0.00 0.00 175.35 177.86 1fba h LYS 317 N 5.59 0.39 0.00 1.68 1.57 -1.96 -1.35 116.57 122.49 1fba h LYS 317 Ca -0.45 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1fba h LYS 317 Cb 1.18 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1fba h LYS 317 CO 0.55 0.36 0.00 -0.85 -0.57 0.00 0.00 179.45 178.94 1fba n GLU 318 N -4.39 0.01 -0.33 3.15 0.00 -1.26 -2.41 120.64 115.41 1fba n GLU 318 Ca 0.01 0.19 0.08 0.00 0.00 0.00 0.00 57.16 57.44 1fba n GLU 318 Cb 0.16 -1.51 0.24 0.00 0.00 0.00 0.00 31.44 30.32 1fba n GLU 318 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1fba n ASN 319 N -1.53 3.60 -0.08 -1.84 5.03 -0.51 -4.62 115.26 115.32 1fba n ASN 319 Ca 0.04 -2.21 -0.10 0.00 0.87 0.00 0.00 54.58 53.18 1fba n ASN 319 Cb 0.22 -0.39 -0.03 0.00 -1.02 0.00 0.00 39.78 38.56 1fba n ASN 319 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1fba h ILE 320 N 2.85 1.17 -0.56 2.41 2.04 -1.50 -1.65 117.51 122.27 1fba h ILE 320 Ca 0.00 -0.51 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 1fba h ILE 320 Cb 1.01 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 1fba h ILE 320 CO 0.07 0.17 0.20 0.00 0.00 0.00 0.00 178.15 178.59 1fba h ALA 321 N 0.95 1.29 -0.32 1.87 0.00 -1.83 -0.99 119.26 120.23 1fba h ALA 321 Ca 0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1fba h ALA 321 Cb 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1fba h ALA 321 CO -0.01 0.52 0.07 0.00 0.00 0.00 0.00 179.25 179.83 1fba h ALA 322 N 1.40 0.42 -0.35 0.00 0.00 -1.80 -0.94 119.26 118.00 1fba h ALA 322 Ca 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1fba h ALA 322 Cb 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1fba h ALA 322 CO -0.01 0.10 0.18 0.78 0.00 0.00 0.00 179.25 180.29 1fba h GLY 323 N 0.36 0.53 1.66 0.00 0.00 -0.90 -2.34 103.07 102.38 1fba h GLY 323 Ca 0.10 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1fba h GLY 323 CO 0.00 0.24 0.03 1.46 0.00 0.00 0.00 176.54 178.27 1fba h GLN 324 N 0.43 0.43 -0.44 4.80 4.20 -1.06 -1.98 115.11 121.48 1fba h GLN 324 Ca 0.12 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 1fba h GLN 324 Cb 0.09 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1fba h GLN 324 CO -0.02 0.43 0.06 -0.97 -0.67 0.00 0.00 178.83 177.67 1fba h ASN 325 N 0.42 0.72 -0.51 1.46 -0.73 -0.90 -0.75 115.58 115.28 1fba h ASN 325 Ca 0.10 -0.27 -0.01 0.00 1.87 0.00 0.00 56.30 57.99 1fba h ASN 325 Cb 0.23 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.61 1fba h ASN 325 CO 0.00 0.81 0.28 -0.33 -0.37 0.00 0.00 177.43 177.82 1fba h GLU 326 N 0.60 0.71 0.10 6.67 4.39 -0.85 -1.70 114.58 124.50 1fba h GLU 326 Ca 0.13 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.76 1fba h GLU 326 Cb 0.40 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1fba h GLU 326 CO 0.01 0.55 -0.11 1.25 -1.16 0.00 0.00 179.01 179.56 1fba h LEU 327 N 0.68 -0.28 -0.70 1.33 5.85 -1.21 -2.03 115.31 118.94 1fba h LEU 327 Ca 0.18 0.03 0.07 0.00 0.84 0.00 0.00 57.88 59.00 1fba h LEU 327 Cb 0.05 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 1fba h LEU 327 CO -0.03 -0.16 0.38 -0.07 -0.34 0.00 0.00 178.44 178.22 1fba h LEU 328 N -0.23 0.55 -0.12 2.25 3.38 -0.99 -0.09 115.31 120.06 1fba h LEU 328 Ca 0.01 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1fba h LEU 328 Cb 0.23 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1fba h LEU 328 CO -0.04 0.34 0.07 0.11 0.09 0.00 0.00 178.44 179.01 1fba h LYS 329 N 0.68 0.16 -0.04 1.13 1.57 -1.13 -1.89 116.57 117.06 1fba h LYS 329 Ca 0.33 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.94 1fba h LYS 329 Cb 0.25 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1fba h LYS 329 CO -0.21 0.17 -0.65 0.00 -0.57 0.00 0.00 179.45 178.19 1fba h ARG 330 N 0.11 0.15 -0.54 3.15 2.47 -1.11 -1.86 114.38 116.75 1fba h ARG 330 Ca 0.04 -0.11 -0.07 0.00 -1.26 0.00 0.00 59.98 58.58 1fba h ARG 330 Cb 0.06 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 1fba h ARG 330 CO -0.01 0.75 0.07 0.00 0.56 0.00 0.00 179.97 181.34 1fba h ALA 331 N 1.23 0.72 -0.42 0.04 0.00 -0.94 -1.27 119.26 118.62 1fba h ALA 331 Ca -0.01 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1fba h ALA 331 Cb 1.17 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1fba h ALA 331 CO 0.09 0.48 -0.02 -0.22 0.00 0.00 0.00 179.25 179.58 1fba h LYS 332 N 0.79 0.75 -0.41 0.00 1.63 -1.21 0.15 116.57 118.28 1fba h LYS 332 Ca 0.16 -0.25 0.03 0.00 -0.85 0.00 0.00 60.65 59.74 1fba h LYS 332 Cb 0.43 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 1fba h LYS 332 CO 0.01 0.84 0.21 0.00 -3.45 0.00 0.00 179.45 177.07 1fba h ALA 333 N 0.88 0.51 -0.12 5.00 0.00 -1.26 -0.55 119.26 123.73 1fba h ALA 333 Ca 0.12 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1fba h ALA 333 Cb 0.52 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1fba h ALA 333 CO 0.03 -0.14 -0.43 -0.91 0.00 0.00 0.00 179.25 177.79 1fba h ASN 334 N 0.43 0.30 -0.70 0.00 2.35 -1.06 -0.59 115.58 116.30 1fba h ASN 334 Ca 0.17 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 1fba h ASN 334 Cb 0.07 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 1fba h ASN 334 CO -0.12 0.70 0.16 1.23 -1.65 0.00 0.00 177.43 177.75 1fba h GLY 335 N 1.23 1.21 0.87 2.83 0.00 -0.43 -0.04 103.07 108.74 1fba h GLY 335 Ca 0.02 -0.77 -0.06 0.00 0.00 0.00 0.00 47.33 46.52 1fba h GLY 335 CO 0.07 0.71 -0.04 -0.55 0.00 0.00 0.00 176.54 176.73 1fba h ASP 336 N 1.06 0.52 -0.83 0.19 3.32 -0.85 -3.01 116.42 116.81 1fba h ASP 336 Ca 0.22 -0.35 0.06 0.00 0.02 0.00 0.00 57.03 56.98 1fba h ASP 336 Cb 0.39 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.74 1fba h ASP 336 CO 0.00 0.75 0.54 0.00 -1.72 0.00 0.00 179.24 178.81 1fba h ALA 337 N 0.79 1.56 0.00 3.45 0.00 -0.63 0.11 119.26 124.55 1fba h ALA 337 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1fba h ALA 337 Cb 0.51 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1fba h ALA 337 CO 0.02 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.60 1fba h ALA 338 N 1.54 1.00 -0.16 0.00 0.00 -0.89 0.15 119.26 120.89 1fba h ALA 338 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1fba h ALA 338 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1fba h ALA 338 CO -0.12 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.17 1fba n GLN 339 N -2.45 1.73 -2.85 0.00 6.02 0.23 -4.75 117.38 115.32 1fba n GLN 339 Ca 0.00 -1.55 -0.17 0.00 -0.01 0.00 0.00 57.00 55.27 1fba n GLN 339 Cb 0.17 -1.20 0.03 0.00 1.02 0.00 0.00 30.24 30.26 1fba n GLN 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1fba n GLY 340 N 0.41 -0.25 0.05 1.08 0.00 0.04 -4.93 105.19 101.60 1fba n GLY 340 Ca 0.08 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1fba n GLY 340 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fba n LYS 341 N -3.29 1.97 -2.69 1.61 5.02 -0.32 -4.86 118.16 115.59 1fba n LYS 341 Ca -0.09 -1.87 -0.42 0.00 -2.02 0.00 0.00 58.31 53.91 1fba n LYS 341 Cb 0.59 -1.16 -0.03 0.00 -0.02 0.00 0.00 35.03 34.42 1fba n LYS 341 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1fba s TYR 342 N -1.68 3.60 -0.26 2.13 5.04 -1.25 -4.86 117.35 120.07 1fba s TYR 342 Ca 0.13 1.65 -0.20 0.00 -2.44 0.00 0.00 57.07 56.22 1fba s TYR 342 Cb 0.12 -3.15 -0.02 0.00 0.35 0.00 0.00 41.96 39.26 1fba s TYR 342 CO 0.01 -0.12 0.60 0.08 -1.34 0.00 0.00 175.55 174.79 1fba s VAL 343 N 1.34 5.00 0.22 3.14 1.01 -1.26 -4.98 120.40 124.87 1fba s VAL 343 Ca 0.51 1.04 -0.31 0.00 0.00 0.00 0.00 61.98 63.21 1fba s VAL 343 Cb -0.20 -3.91 -0.14 0.00 0.00 0.00 0.00 36.38 32.12 1fba s VAL 343 CO 0.25 0.02 1.26 0.00 0.00 0.00 0.00 175.10 176.63 1fba n ALA 345 N 5.69 0.26 -0.91 5.51 0.00 -1.26 -1.96 120.51 127.84 1fba n ALA 345 Ca -0.01 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1fba n ALA 345 Cb 0.49 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1fba n ALA 345 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fba n GLY 346 N 1.93 0.72 0.21 0.00 0.00 -1.26 -4.89 105.19 101.90 1fba n GLY 346 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.24 1fba n GLY 346 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1fba h SER 347 N 0.00 0.00 -0.28 1.61 4.64 -1.82 -2.86 113.55 114.84 1fba h SER 347 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fba h SER 347 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1fba h SER 347 CO 0.00 0.22 0.00 0.00 -0.87 0.00 0.00 176.83 176.18 1fba n ALA 348 N -2.19 2.45 0.00 5.18 0.00 -1.26 -5.06 120.51 119.63 1fba n ALA 348 Ca 0.01 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1fba n ALA 348 Cb 0.49 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1fba n ALA 348 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fba n GLY 349 N 1.40 1.09 0.30 0.00 0.00 -1.08 -4.74 105.19 102.16 1fba n GLY 349 Ca 0.18 -2.05 0.02 0.00 0.00 0.00 0.00 46.02 44.17 1fba n GLY 349 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fba h ALA 351 N 0.00 1.57 -0.54 4.61 0.00 -1.97 -3.44 119.26 119.48 1fba h ALA 351 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1fba h ALA 351 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1fba h ALA 351 CO 0.00 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.01 1fba n GLY 352 N -1.27 0.03 3.39 0.00 0.00 -1.26 -4.58 105.19 101.50 1fba n GLY 352 Ca 0.03 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 1fba n GLY 352 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fba n SER 353 N -1.46 0.43 -1.64 1.61 3.41 -1.26 -5.00 113.62 109.71 1fba n SER 353 Ca 0.00 -1.60 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 1fba n SER 353 Cb 0.00 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.16 1fba n SER 353 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fba n GLY 354 N -2.34 1.47 3.64 5.00 0.00 -1.26 -4.49 105.19 107.21 1fba n GLY 354 Ca 0.15 -2.04 -0.45 0.00 0.00 0.00 0.00 46.02 43.67 1fba n GLY 354 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1fba n SER 355 N -2.29 2.15 -1.41 1.61 2.88 -1.26 -4.31 113.62 110.98 1fba n SER 355 Ca 0.00 1.16 -0.02 0.00 -1.33 0.00 0.00 58.87 58.68 1fba n SER 355 Cb 0.00 -1.36 0.25 0.00 -0.75 0.00 0.00 64.21 62.35 1fba n SER 355 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1fba n LEU 356 N 1.72 4.85 -4.67 2.46 4.77 -0.85 -4.92 117.00 120.36 1fba n LEU 356 Ca 0.11 -3.35 -0.43 0.00 -0.03 0.00 0.00 56.01 52.32 1fba n LEU 356 Cb 0.31 -0.66 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 1fba n LEU 356 CO 0.62 0.91 1.00 0.12 -1.33 0.00 0.00 177.39 178.71 1fba s PHE 357 N -3.04 3.06 -0.23 -1.77 5.36 -1.14 -4.59 117.98 115.64 1fba s PHE 357 Ca 0.48 1.16 0.00 0.00 -0.96 0.00 0.00 56.93 57.61 1fba s PHE 357 Cb 0.40 -3.44 0.06 0.00 -0.34 0.00 0.00 43.02 39.70 1fba s PHE 357 CO 0.08 -1.37 -0.05 0.08 -1.46 0.00 0.00 175.22 172.49 1fba s VAL 358 N 2.86 1.46 0.84 3.12 1.01 -1.26 -5.06 120.40 123.37 1fba s VAL 358 Ca 0.54 -1.14 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 1fba s VAL 358 Cb -0.22 -1.72 0.11 0.00 0.00 0.00 0.00 36.38 34.55 1fba s VAL 358 CO 0.17 -0.08 1.20 0.00 0.00 0.00 0.00 175.10 176.39 1fba s ALA 359 N 1.43 2.61 0.00 5.51 0.00 -1.26 -4.71 121.76 125.35 1fba s ALA 359 Ca -0.05 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1fba s ALA 359 Cb -0.18 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.09 1fba s ALA 359 CO -0.06 -1.85 0.00 0.09 0.00 0.00 0.00 175.76 173.93 1fba n ASN 360 N -3.39 -1.77 -4.96 0.00 3.02 -1.26 -5.08 115.26 101.81 1fba n ASN 360 Ca 0.10 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.43 1fba n ASN 360 Cb 0.60 -0.44 0.04 0.00 -0.61 0.00 0.00 39.78 39.37 1fba n ASN 360 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1fba s HIS 361 N -2.79 2.92 0.00 3.10 3.76 -1.26 -4.82 115.29 116.20 1fba s HIS 361 Ca 0.00 0.08 0.00 0.00 -0.15 0.00 0.00 55.06 54.99 1fba s HIS 361 Cb 0.00 -2.74 0.00 0.00 1.11 0.00 0.00 32.58 30.95 1fba s HIS 361 CO 0.00 -0.86 0.00 0.00 -0.85 0.00 0.00 174.74 173.03 1fba n ALA 362 N -2.37 -1.03 -0.16 -1.40 0.00 -1.26 -5.10 120.51 109.18 1fba n ALA 362 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1fba n ALA 362 Cb 0.59 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1fba n ALA 362 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48