#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fxu s TYR 5 N 0.00 2.98 0.34 1.61 2.02 -1.26 -5.13 117.35 117.91 1fxu s TYR 5 Ca 0.00 -0.05 0.02 0.00 -0.37 0.00 0.00 57.07 56.68 1fxu s TYR 5 Cb 0.00 -1.50 -0.02 0.00 -0.40 0.00 0.00 41.96 40.03 1fxu s TYR 5 CO 0.00 0.49 0.51 0.95 -1.57 0.00 0.00 175.55 175.94 1fxu s THR 6 N -1.44 4.78 0.26 -0.71 -4.23 -1.26 -4.98 115.64 108.07 1fxu s THR 6 Ca 0.27 -0.67 -0.02 0.00 -1.18 0.00 0.00 61.69 60.08 1fxu s THR 6 Cb -0.11 -3.72 0.23 0.00 1.34 0.00 0.00 72.50 70.24 1fxu s THR 6 CO 0.19 -0.40 1.76 0.22 -0.54 0.00 0.00 174.62 175.85 1fxu h TYR 7 N 0.81 0.73 -0.91 3.99 3.20 -2.01 -0.33 116.97 122.45 1fxu h TYR 7 Ca -0.49 0.03 0.12 0.00 3.14 0.00 0.00 58.73 61.53 1fxu h TYR 7 Cb 1.23 -0.20 -0.07 0.00 1.54 0.00 0.00 36.73 39.23 1fxu h TYR 7 CO 0.47 0.18 0.58 1.49 -1.64 0.00 0.00 178.16 179.24 1fxu h GLU 8 N 0.61 0.80 -0.66 1.82 4.81 -1.99 -1.12 114.58 118.84 1fxu h GLU 8 Ca 0.44 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.64 1fxu h GLU 8 Cb 0.61 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 1fxu h GLU 8 CO -0.35 0.53 0.43 -0.44 -0.73 0.00 0.00 179.01 178.44 1fxu h ASP 9 N 0.82 0.73 -0.52 1.04 3.32 -1.43 0.23 116.42 120.61 1fxu h ASP 9 Ca 0.44 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.43 1fxu h ASP 9 Cb 0.55 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1fxu h ASP 9 CO -0.20 0.52 0.13 1.88 -1.72 0.00 0.00 179.24 179.85 1fxu h TYR 10 N 0.87 0.86 0.14 4.55 0.05 -1.19 -2.49 116.97 119.76 1fxu h TYR 10 Ca 0.25 -0.10 0.01 0.00 0.05 0.00 0.00 58.73 58.94 1fxu h TYR 10 Cb -0.06 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.42 1fxu h TYR 10 CO -0.03 0.76 -0.17 1.96 -1.05 0.00 0.00 178.16 179.62 1fxu h GLN 11 N 0.72 -0.34 -0.86 4.88 1.08 -0.71 -0.26 115.11 119.62 1fxu h GLN 11 Ca 0.16 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.49 1fxu h GLN 11 Cb 0.32 0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 27.76 1fxu h GLN 11 CO 0.00 -0.23 0.50 -0.44 -0.95 0.00 0.00 178.83 177.72 1fxu h ASP 12 N -0.35 0.72 -0.22 1.46 3.32 -0.43 0.19 116.42 121.10 1fxu h ASP 12 Ca 0.01 0.05 -0.14 0.00 0.02 0.00 0.00 57.03 56.97 1fxu h ASP 12 Cb 0.35 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1fxu h ASP 12 CO -0.07 0.40 -0.35 0.74 -1.72 0.00 0.00 179.24 178.24 1fxu h THR 13 N 0.83 1.28 0.00 0.35 2.02 -1.16 -0.80 112.91 115.43 1fxu h THR 13 Ca 0.42 -1.51 -0.00 0.00 0.77 0.00 0.00 66.41 66.09 1fxu h THR 13 Cb 0.40 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1fxu h THR 13 CO -0.26 0.49 -0.00 0.00 0.37 0.00 0.00 175.52 176.13 1fxu h ALA 14 N 0.98 -0.00 -0.94 6.16 0.00 0.42 -1.44 119.26 124.44 1fxu h ALA 14 Ca 0.06 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1fxu h ALA 14 Cb 0.89 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 1fxu h ALA 14 CO 0.08 -0.42 0.62 0.87 0.00 0.00 0.00 179.25 180.40 1fxu h LYS 15 N -0.17 1.12 -0.51 0.00 1.79 -0.61 -0.18 116.57 118.00 1fxu h LYS 15 Ca -0.00 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 1fxu h LYS 15 Cb 0.17 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 30.54 1fxu h LYS 15 CO 0.00 0.74 0.27 2.35 -1.08 0.00 0.00 179.45 181.73 1fxu h TRP 16 N 1.15 0.71 -0.26 -1.35 7.01 -0.79 -2.14 115.95 120.28 1fxu h TRP 16 Ca 0.38 -0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.31 1fxu h TRP 16 Cb 0.07 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 26.89 1fxu h TRP 16 CO -0.00 0.54 -0.02 -0.07 -2.79 0.00 0.00 178.44 176.09 1fxu h LEU 17 N 0.68 0.47 -2.03 0.65 3.38 -0.46 -2.90 115.31 115.10 1fxu h LEU 17 Ca 0.18 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.88 1fxu h LEU 17 Cb 0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1fxu h LEU 17 CO -0.03 0.69 0.16 -0.07 0.09 0.00 0.00 178.44 179.29 1fxu h LEU 18 N 0.24 0.00 -1.98 1.67 3.38 -0.92 -1.20 115.31 116.50 1fxu h LEU 18 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1fxu h LEU 18 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1fxu h LEU 18 CO 0.02 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.01 1fxu n SER 19 N -4.39 2.95 -0.26 -0.43 3.41 -0.82 -4.13 113.62 109.95 1fxu n SER 19 Ca 0.02 -1.92 0.03 0.00 -0.26 0.00 0.00 58.87 56.74 1fxu n SER 19 Cb 0.31 -0.23 0.03 0.00 -0.26 0.00 0.00 64.21 64.06 1fxu n SER 19 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1fxu n HIS 20 N 1.16 0.02 -3.66 7.33 8.25 -0.46 -5.02 115.22 122.84 1fxu n HIS 20 Ca 0.18 -0.05 -0.14 0.00 -0.26 0.00 0.00 57.72 57.46 1fxu n HIS 20 Cb 0.52 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.56 1fxu n HIS 20 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1fxu s THR 21 N -0.57 0.04 -0.65 1.59 -1.32 -1.15 -5.03 115.64 108.55 1fxu s THR 21 Ca 0.08 -0.35 0.24 0.00 -1.21 0.00 0.00 61.69 60.45 1fxu s THR 21 Cb 0.05 -0.85 0.05 0.00 -1.51 0.00 0.00 72.50 70.24 1fxu s THR 21 CO 0.08 -0.19 1.33 -1.84 -2.21 0.00 0.00 174.62 171.78 1fxu n GLU 22 N 0.84 0.29 -1.81 7.08 0.00 -1.26 -4.77 120.64 121.00 1fxu n GLU 22 Ca -0.20 0.09 -0.41 0.00 0.00 0.00 0.00 57.16 56.63 1fxu n GLU 22 Cb 0.58 -1.68 -0.02 0.00 0.00 0.00 0.00 31.44 30.32 1fxu n GLU 22 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1fxu s GLN 23 N -3.16 4.14 -0.51 3.44 -1.52 -1.26 -4.99 119.66 115.80 1fxu s GLN 23 Ca 0.06 2.54 0.03 0.00 -1.95 0.00 0.00 55.36 56.05 1fxu s GLN 23 Cb 0.13 -3.03 0.15 0.00 -0.22 0.00 0.00 33.01 30.04 1fxu s GLN 23 CO 0.72 -0.60 0.34 1.03 -0.25 0.00 0.00 175.29 176.53 1fxu s ARG 24 N -0.53 1.56 0.51 2.91 1.81 -1.26 -4.98 118.95 118.96 1fxu s ARG 24 Ca 0.62 -2.44 -0.22 0.00 -1.72 0.00 0.00 55.73 51.97 1fxu s ARG 24 Cb -0.47 -2.47 -0.06 0.00 -0.45 0.00 0.00 34.95 31.51 1fxu s ARG 24 CO 0.48 -1.25 1.28 -1.25 -0.68 0.00 0.00 175.30 173.88 1fxu s PRO 25 N -0.26 3.42 -0.08 3.54 0.04 -1.26 -4.87 135.00 135.53 1fxu s PRO 25 Ca 0.23 2.05 0.14 0.00 0.04 0.00 0.00 61.00 63.46 1fxu s PRO 25 Cb -0.12 -2.34 -0.21 0.00 0.04 0.00 0.00 34.50 31.88 1fxu s PRO 25 CO -0.09 -0.90 0.20 0.94 0.04 0.00 0.00 177.00 177.18 1fxu n GLN 26 N -0.76 1.05 -4.35 4.56 -0.06 -0.74 -4.06 117.38 113.02 1fxu n GLN 26 Ca 0.09 -0.08 -0.20 0.00 -2.00 0.00 0.00 57.00 54.82 1fxu n GLN 26 Cb 0.46 -1.36 -0.13 0.00 -4.06 0.00 0.00 30.24 25.15 1fxu n GLN 26 CO 0.00 0.00 0.00 0.14 -0.20 0.00 0.00 177.06 177.00 1fxu s VAL 27 N -2.72 1.05 -0.07 1.69 -7.23 -1.19 -1.56 120.40 110.38 1fxu s VAL 27 Ca -0.06 -0.95 0.03 0.00 -1.81 0.00 0.00 61.98 59.19 1fxu s VAL 27 Cb 0.07 -0.96 -0.02 0.00 0.56 0.00 0.00 36.38 36.03 1fxu s VAL 27 CO 0.61 0.01 -0.16 0.00 -0.31 0.00 0.00 175.10 175.25 1fxu s ALA 28 N -0.82 2.58 -0.09 1.32 0.00 -0.24 -1.15 121.76 123.36 1fxu s ALA 28 Ca 0.01 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.03 1fxu s ALA 28 Cb -0.08 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 22.08 1fxu s ALA 28 CO 0.01 0.47 -0.17 0.08 0.00 0.00 0.00 175.76 176.15 1fxu s VAL 29 N -0.43 1.58 -0.34 0.00 1.01 0.91 -0.53 120.40 122.61 1fxu s VAL 29 Ca 0.05 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 1fxu s VAL 29 Cb -0.12 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.85 1fxu s VAL 29 CO 0.02 0.46 0.18 -0.63 0.00 0.00 0.00 175.10 175.13 1fxu s ILE 30 N 0.67 4.68 -0.12 2.22 1.01 -0.29 -0.51 121.20 128.85 1fxu s ILE 30 Ca -0.13 -0.55 -0.19 0.00 0.00 0.00 0.00 60.65 59.78 1fxu s ILE 30 Cb -0.16 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1fxu s ILE 30 CO 0.04 -0.05 0.54 0.00 0.00 0.00 0.00 174.94 175.47 1fxu n GLY 32 N 3.32 -0.73 3.67 0.00 0.00 -1.20 -3.25 105.19 107.00 1fxu n GLY 32 Ca -0.05 -1.71 -0.45 0.00 0.00 0.00 0.00 46.02 43.81 1fxu n GLY 32 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1fxu n SER 33 N -2.37 3.84 -0.34 1.61 7.64 -1.26 -1.55 113.62 121.19 1fxu n SER 33 Ca 0.00 0.94 -0.04 0.00 1.01 0.00 0.00 58.87 60.77 1fxu n SER 33 Cb 0.00 -1.46 -0.02 0.00 -1.01 0.00 0.00 64.21 61.73 1fxu n SER 33 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fxu n GLY 34 N 4.48 0.71 0.30 0.23 0.00 -1.26 -4.55 105.19 105.11 1fxu n GLY 34 Ca 0.21 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.76 1fxu n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fxu n LEU 35 N -0.51 2.44 0.24 0.99 4.32 -0.60 -4.31 117.00 119.57 1fxu n LEU 35 Ca -0.04 -2.00 0.06 0.00 -0.02 0.00 0.00 56.01 54.01 1fxu n LEU 35 Cb 0.20 -0.11 0.56 0.00 -1.62 0.00 0.00 43.42 42.45 1fxu n LEU 35 CO 0.07 0.61 0.96 1.23 -1.22 0.00 0.00 177.39 179.04 1fxu h GLY 36 N 0.96 0.00 1.12 -0.72 0.00 -1.84 -3.05 103.07 99.54 1fxu h GLY 36 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 1fxu h GLY 36 CO 0.00 0.00 0.38 -1.33 0.00 0.00 0.00 176.54 175.59 1fxu h GLY 37 N 0.35 0.00 0.85 4.60 0.00 -1.96 -2.34 103.07 104.57 1fxu h GLY 37 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.44 1fxu h GLY 37 CO 0.01 0.00 0.46 1.41 0.00 0.00 0.00 176.54 178.43 1fxu h LEU 38 N 0.00 0.00 -2.15 3.11 3.38 -1.92 -2.14 115.31 115.60 1fxu h LEU 38 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1fxu h LEU 38 Cb 0.86 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1fxu h LEU 38 CO -0.00 0.00 -0.07 0.58 0.09 0.00 0.00 178.44 179.04 1fxu h VAL 39 N 0.00 0.48 -3.97 1.22 2.07 -1.70 -3.42 116.25 110.93 1fxu h VAL 39 Ca 0.19 -0.34 -0.44 0.00 0.82 0.00 0.00 66.70 66.93 1fxu h VAL 39 Cb 1.11 1.22 0.16 0.00 -1.52 0.00 0.00 31.29 32.26 1fxu h VAL 39 CO -0.00 0.07 0.30 0.20 0.02 0.00 0.00 177.57 178.15 1fxu s ASN 40 N -6.05 2.66 0.00 0.57 0.01 -0.81 -3.17 114.94 108.15 1fxu s ASN 40 Ca -0.03 0.64 0.00 0.00 -0.71 0.00 0.00 52.86 52.75 1fxu s ASN 40 Cb 0.13 -0.94 0.00 0.00 0.41 0.00 0.00 41.25 40.85 1fxu s ASN 40 CO 0.56 -3.05 0.00 0.29 -1.51 0.00 0.00 177.10 173.39 1fxu n LYS 41 N -4.04 0.00 -2.77 -0.60 5.02 -1.26 -4.92 118.16 109.59 1fxu n LYS 41 Ca 0.11 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.99 1fxu n LYS 41 Cb 0.59 -2.96 -0.04 0.00 -0.02 0.00 0.00 35.03 32.61 1fxu n LYS 41 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1fxu s LEU 42 N 0.00 4.44 0.23 -0.35 2.96 -1.19 -4.79 118.68 119.98 1fxu s LEU 42 Ca 0.00 1.68 0.07 0.00 -0.22 0.00 0.00 54.13 55.65 1fxu s LEU 42 Cb 0.00 -3.52 -0.04 0.00 0.50 0.00 0.00 46.19 43.14 1fxu s LEU 42 CO 0.00 -0.13 0.18 0.42 -1.32 0.00 0.00 176.35 175.50 1fxu s THR 43 N 0.39 4.43 -1.47 3.68 -4.23 0.14 -4.46 115.64 114.11 1fxu s THR 43 Ca 0.47 -1.34 -0.11 0.00 -1.18 0.00 0.00 61.69 59.53 1fxu s THR 43 Cb -0.22 -3.36 0.07 0.00 1.34 0.00 0.00 72.50 70.33 1fxu s THR 43 CO 0.28 -0.29 0.81 0.00 -0.54 0.00 0.00 174.62 174.88 1fxu n GLN 44 N -0.97 -4.99 -2.19 3.99 6.02 -1.26 -0.85 117.38 117.13 1fxu n GLN 44 Ca -0.08 0.63 -0.38 0.00 -0.01 0.00 0.00 57.00 57.15 1fxu n GLN 44 Cb 0.57 -5.48 -0.01 0.00 1.02 0.00 0.00 30.24 26.35 1fxu n GLN 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fxu s ALA 45 N -3.19 3.11 -0.05 -1.58 0.00 -1.25 -4.51 121.76 114.29 1fxu s ALA 45 Ca 0.54 1.05 0.01 0.00 0.00 0.00 0.00 51.96 53.56 1fxu s ALA 45 Cb -0.27 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.45 1fxu s ALA 45 CO 0.67 -0.69 -0.04 -1.14 0.00 0.00 0.00 175.76 174.56 1fxu s GLN 46 N -2.42 0.80 -0.07 0.00 0.74 0.62 -4.95 119.66 114.38 1fxu s GLN 46 Ca 0.60 -0.07 0.02 0.00 0.05 0.00 0.00 55.36 55.95 1fxu s GLN 46 Cb -0.33 -0.87 -0.03 0.00 1.10 0.00 0.00 33.01 32.88 1fxu s GLN 46 CO 0.41 -0.12 -0.09 0.99 -0.55 0.00 0.00 175.29 175.92 1fxu s THR 47 N 1.11 3.49 -0.04 -0.34 2.01 -1.26 -0.32 115.64 120.28 1fxu s THR 47 Ca -0.08 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.39 1fxu s THR 47 Cb -0.14 -2.41 0.00 0.00 0.01 0.00 0.00 72.50 69.96 1fxu s THR 47 CO -0.01 0.59 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.02 1fxu s PHE 48 N -0.71 1.35 0.24 4.92 0.08 0.13 -4.98 117.98 119.00 1fxu s PHE 48 Ca 0.11 -0.38 -0.27 0.00 0.12 0.00 0.00 56.93 56.51 1fxu s PHE 48 Cb -0.11 -0.94 -0.09 0.00 -0.57 0.00 0.00 43.02 41.31 1fxu s PHE 48 CO 0.01 -0.15 0.88 -0.51 -0.10 0.00 0.00 175.22 175.35 1fxu s ASP 49 N 0.18 7.46 0.42 1.36 1.01 -1.26 -0.09 116.67 125.74 1fxu s ASP 49 Ca -0.05 1.80 0.20 0.00 0.71 0.00 0.00 52.55 55.21 1fxu s ASP 49 Cb -0.11 -2.56 1.14 0.00 1.01 0.00 0.00 42.92 42.40 1fxu s ASP 49 CO 0.02 0.11 1.79 1.88 0.21 0.00 0.00 175.17 179.18 1fxu h TYR 50 N 3.89 0.57 0.00 4.23 0.05 -1.30 -0.52 116.97 123.90 1fxu h TYR 50 Ca -0.46 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.34 1fxu h TYR 50 Cb 1.20 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.77 1fxu h TYR 50 CO 0.62 0.07 0.00 -1.13 -1.05 0.00 0.00 178.16 176.68 1fxu n SER 51 N -4.56 0.50 -0.38 3.88 3.41 -1.26 -2.36 113.62 112.84 1fxu n SER 51 Ca 0.24 0.63 0.11 0.00 -0.26 0.00 0.00 58.87 59.59 1fxu n SER 51 Cb 0.87 -0.74 -0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1fxu n SER 51 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1fxu n GLU 52 N -2.06 0.93 -3.41 4.33 0.28 -0.20 -4.87 120.64 115.64 1fxu n GLU 52 Ca 0.02 -0.76 -0.39 0.00 -0.16 0.00 0.00 57.16 55.87 1fxu n GLU 52 Cb 0.19 -1.48 -0.09 0.00 1.43 0.00 0.00 31.44 31.49 1fxu n GLU 52 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1fxu s ILE 53 N -2.59 5.19 0.25 3.84 1.01 -1.00 -5.03 121.20 122.88 1fxu s ILE 53 Ca 0.17 0.59 -0.30 0.00 0.00 0.00 0.00 60.65 61.10 1fxu s ILE 53 Cb 0.18 -3.70 -0.14 0.00 0.01 0.00 0.00 42.46 38.81 1fxu s ILE 53 CO 0.63 0.20 1.26 -2.65 0.00 0.00 0.00 174.94 174.38 1fxu n PRO 54 N 4.99 1.73 -0.62 2.79 -0.02 -1.26 -2.39 135.00 140.22 1fxu n PRO 54 Ca -0.09 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1fxu n PRO 54 Cb 0.51 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1fxu n PRO 54 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1fxu n ASN 55 N 1.72 0.00 -4.80 2.55 3.02 -1.26 -4.72 115.26 111.77 1fxu n ASN 55 Ca 0.11 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.31 1fxu n ASN 55 Cb 0.31 -1.37 -0.06 0.00 -0.61 0.00 0.00 39.78 38.05 1fxu n ASN 55 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1fxu s PHE 56 N -2.22 3.35 0.89 3.10 0.40 -1.00 -5.07 117.98 117.42 1fxu s PHE 56 Ca 0.00 1.65 -0.12 0.00 -0.60 0.00 0.00 56.93 57.86 1fxu s PHE 56 Cb 0.00 -2.93 0.17 0.00 0.51 0.00 0.00 43.02 40.76 1fxu s PHE 56 CO 0.00 -0.20 1.23 -2.14 0.70 0.00 0.00 175.22 174.81 1fxu s PRO 57 N -2.83 1.06 0.00 0.24 0.02 -1.26 -4.88 135.00 127.34 1fxu s PRO 57 Ca 0.59 -0.49 0.08 0.00 0.02 0.00 0.00 61.00 61.21 1fxu s PRO 57 Cb -0.14 -1.97 -0.02 0.00 0.02 0.00 0.00 34.50 32.39 1fxu s PRO 57 CO 0.18 -2.08 -0.25 -2.00 -0.33 0.00 0.00 177.00 172.52 1fxu s GLU 58 N -5.68 2.05 -0.20 5.54 2.56 -1.26 -4.73 118.70 116.98 1fxu s GLU 58 Ca 0.71 -0.96 -0.28 0.00 0.00 0.00 0.00 54.97 54.43 1fxu s GLU 58 Cb -0.05 -2.06 -0.00 0.00 2.00 0.00 0.00 34.13 34.02 1fxu s GLU 58 CO 0.50 0.55 0.96 -1.12 -0.56 0.00 0.00 175.26 175.59 1fxu s SER 59 N -0.86 7.05 0.00 -1.70 0.01 -1.26 -4.92 113.70 112.03 1fxu s SER 59 Ca 0.11 1.30 0.09 0.00 1.31 0.00 0.00 55.95 58.76 1fxu s SER 59 Cb -0.10 -2.51 -0.06 0.00 0.21 0.00 0.00 66.02 63.56 1fxu s SER 59 CO 0.00 -0.55 0.43 0.35 0.41 0.00 0.00 173.24 173.88 1fxu n THR 60 N 5.07 0.00 -3.02 1.44 -2.24 -1.26 -4.88 114.28 109.39 1fxu n THR 60 Ca 0.09 -0.34 -0.40 0.00 -2.27 0.00 0.00 64.05 61.14 1fxu n THR 60 Cb 0.47 1.03 -0.05 0.00 -2.10 0.00 0.00 70.33 69.68 1fxu n THR 60 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1fxu s VAL 61 N -1.62 4.66 0.20 2.28 1.01 -1.26 -5.01 120.40 120.66 1fxu s VAL 61 Ca 0.05 1.59 -0.33 0.00 0.00 0.00 0.00 61.98 63.29 1fxu s VAL 61 Cb 0.07 -4.09 -0.13 0.00 0.00 0.00 0.00 36.38 32.22 1fxu s VAL 61 CO 0.31 0.42 1.61 -2.65 0.00 0.00 0.00 175.10 174.78 1fxu n PRO 62 N 2.46 2.39 0.00 2.72 -0.02 -1.26 -1.97 135.00 139.32 1fxu n PRO 62 Ca -0.04 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1fxu n PRO 62 Cb 0.50 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1fxu n PRO 62 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fxu n GLY 63 N 3.35 0.39 3.06 -1.23 0.00 -1.26 -4.90 105.19 104.61 1fxu n GLY 63 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1fxu n GLY 63 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1fxu s HIS 64 N -2.00 3.60 0.20 1.61 3.76 -0.83 -4.00 115.29 117.64 1fxu s HIS 64 Ca 0.00 -2.69 -0.10 0.00 -0.15 0.00 0.00 55.06 52.11 1fxu s HIS 64 Cb 0.00 -2.71 0.26 0.00 1.11 0.00 0.00 32.58 31.24 1fxu s HIS 64 CO 0.00 -0.93 1.73 0.00 -0.85 0.00 0.00 174.74 174.69 1fxu h ALA 65 N 7.74 0.72 -0.59 -1.40 0.00 -1.85 -3.45 119.26 120.42 1fxu h ALA 65 Ca -0.10 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fxu h ALA 65 Cb 1.03 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1fxu h ALA 65 CO 0.54 -0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.95 1fxu n GLY 66 N -1.29 0.89 3.15 0.00 0.00 0.38 -4.93 105.19 103.38 1fxu n GLY 66 Ca 0.08 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 1fxu n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fxu s ARG 67 N -2.33 1.13 -0.23 1.61 1.81 -1.00 -0.79 118.95 119.16 1fxu s ARG 67 Ca 0.00 -0.68 -0.08 0.00 -1.72 0.00 0.00 55.73 53.25 1fxu s ARG 67 Cb 0.00 -1.13 -0.04 0.00 -0.45 0.00 0.00 34.95 33.33 1fxu s ARG 67 CO 0.00 0.30 0.10 -1.17 -0.68 0.00 0.00 175.30 173.84 1fxu s LEU 68 N -0.76 3.77 -0.15 2.53 2.96 0.87 -1.21 118.68 126.68 1fxu s LEU 68 Ca 0.04 -0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 1fxu s LEU 68 Cb -0.07 -1.99 0.02 0.00 0.50 0.00 0.00 46.19 44.64 1fxu s LEU 68 CO 0.00 0.06 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.23 1fxu s VAL 69 N 1.06 1.81 -0.04 1.68 1.01 0.16 -0.69 120.40 125.40 1fxu s VAL 69 Ca 0.05 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 1fxu s VAL 69 Cb -0.14 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1fxu s VAL 69 CO 0.04 0.50 0.16 -0.36 0.00 0.00 0.00 175.10 175.44 1fxu s PHE 70 N 1.19 3.54 -0.64 5.22 0.40 0.56 -0.19 117.98 128.05 1fxu s PHE 70 Ca 0.00 0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.72 1fxu s PHE 70 Cb -0.14 -1.85 0.00 0.00 0.51 0.00 0.00 43.02 41.54 1fxu s PHE 70 CO -0.08 0.66 0.00 0.41 0.70 0.00 0.00 175.22 176.91 1fxu n GLY 71 N 1.25 -1.30 3.55 4.36 0.00 -0.62 -0.28 105.19 112.15 1fxu n GLY 71 Ca -0.13 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 1fxu n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fxu s ILE 72 N -2.32 4.37 -0.18 -0.61 -1.09 -0.03 -0.62 121.20 120.71 1fxu s ILE 72 Ca 0.00 -0.18 -0.16 0.00 -2.23 0.00 0.00 60.65 58.08 1fxu s ILE 72 Cb 0.00 -2.96 -0.06 0.00 -1.58 0.00 0.00 42.46 37.85 1fxu s ILE 72 CO 0.00 0.45 -0.29 -0.11 -1.23 0.00 0.00 174.94 173.77 1fxu n LEU 73 N 3.77 1.91 -3.12 2.97 0.00 -0.01 -0.68 117.00 121.84 1fxu n LEU 73 Ca -0.17 0.41 -0.17 0.00 0.00 0.00 0.00 56.01 56.08 1fxu n LEU 73 Cb 0.52 -0.79 -0.02 0.00 0.00 0.00 0.00 43.42 43.13 1fxu n LEU 73 CO 0.34 -0.21 -0.15 -3.20 0.00 0.00 0.00 177.39 174.16 1fxu n ASN 74 N -4.47 0.20 0.00 1.96 5.15 -1.26 -4.81 115.26 112.02 1fxu n ASN 74 Ca -0.17 -3.06 0.00 0.00 -0.60 0.00 0.00 54.58 50.75 1fxu n ASN 74 Cb 0.50 -0.22 0.00 0.00 -0.53 0.00 0.00 39.78 39.54 1fxu n ASN 74 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1fxu n GLY 75 N 0.52 0.76 3.20 8.20 0.00 -1.26 -4.61 105.19 111.99 1fxu n GLY 75 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 1fxu n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1fxu s ARG 76 N -0.03 3.07 0.00 1.61 6.06 -1.26 -5.10 118.95 123.30 1fxu s ARG 76 Ca 0.00 -0.83 -0.30 0.00 -2.50 0.00 0.00 55.73 52.10 1fxu s ARG 76 Cb 0.00 -2.47 -0.05 0.00 0.06 0.00 0.00 34.95 32.49 1fxu s ARG 76 CO 0.00 0.02 1.36 0.00 -2.50 0.00 0.00 175.30 174.17 1fxu s ALA 77 N 0.75 3.56 0.22 6.12 0.00 -1.26 -0.83 121.76 130.32 1fxu s ALA 77 Ca -0.08 0.86 -0.10 0.00 0.00 0.00 0.00 51.96 52.63 1fxu s ALA 77 Cb -0.16 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.38 1fxu s ALA 77 CO -0.00 -0.84 0.38 0.00 0.00 0.00 0.00 175.76 175.30 1fxu s VAL 79 N -4.03 1.26 -0.03 0.00 0.11 -0.30 -1.59 120.40 115.82 1fxu s VAL 79 Ca 0.25 -0.59 0.07 0.00 -2.93 0.00 0.00 61.98 58.77 1fxu s VAL 79 Cb 0.02 -1.11 -0.01 0.00 -1.53 0.00 0.00 36.38 33.74 1fxu s VAL 79 CO 0.08 0.38 -0.24 -0.04 -3.33 0.00 0.00 175.10 171.95 1fxu s MET 80 N 0.34 2.13 -0.49 1.54 -1.94 0.73 -0.06 119.30 121.54 1fxu s MET 80 Ca -0.09 -0.85 -0.19 0.00 -1.71 0.00 0.00 55.69 52.85 1fxu s MET 80 Cb -0.13 -1.94 0.05 0.00 2.01 0.00 0.00 34.83 34.82 1fxu s MET 80 CO 0.03 0.45 0.60 -1.64 -0.01 0.00 0.00 175.02 174.45 1fxu s MET 81 N -0.38 3.13 -0.98 2.03 -1.94 0.33 -0.66 119.30 120.82 1fxu s MET 81 Ca 0.04 -0.87 -0.17 0.00 -1.71 0.00 0.00 55.69 52.98 1fxu s MET 81 Cb -0.11 -4.08 0.16 0.00 2.01 0.00 0.00 34.83 32.81 1fxu s MET 81 CO 0.01 -1.17 1.15 -1.14 -0.01 0.00 0.00 175.02 173.85 1fxu s GLN 82 N 2.56 3.73 0.00 2.03 0.74 -0.35 -0.70 119.66 127.67 1fxu s GLN 82 Ca 0.15 -2.08 0.00 0.00 0.05 0.00 0.00 55.36 53.48 1fxu s GLN 82 Cb -0.19 -4.87 0.00 0.00 1.10 0.00 0.00 33.01 29.05 1fxu s GLN 82 CO 0.12 -1.69 0.00 0.41 -0.55 0.00 0.00 175.29 173.58 1fxu n GLY 83 N 4.90 3.15 0.14 2.59 0.00 -1.20 -0.47 105.19 114.30 1fxu n GLY 83 Ca 0.25 -1.68 -0.01 0.00 0.00 0.00 0.00 46.02 44.58 1fxu n GLY 83 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1fxu n ARG 84 N -0.08 0.41 -4.62 1.61 1.85 -1.26 -4.76 116.66 109.81 1fxu n ARG 84 Ca 0.00 -0.14 -0.28 0.00 -1.00 0.00 0.00 57.85 56.43 1fxu n ARG 84 Cb 0.00 0.10 -0.14 0.00 -1.05 0.00 0.00 32.46 31.37 1fxu n ARG 84 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1fxu s PHE 85 N -1.86 2.10 0.09 2.89 0.08 -1.26 -4.66 117.98 115.37 1fxu s PHE 85 Ca 0.01 -0.40 0.06 0.00 0.12 0.00 0.00 56.93 56.73 1fxu s PHE 85 Cb 0.00 -1.21 -0.03 0.00 -0.57 0.00 0.00 43.02 41.21 1fxu s PHE 85 CO 0.01 0.18 -0.17 -1.01 -0.10 0.00 0.00 175.22 174.13 1fxu s HIS 86 N -0.92 1.45 0.31 0.36 3.76 -1.26 -4.91 115.29 114.09 1fxu s HIS 86 Ca 0.10 -0.46 0.01 0.00 -0.15 0.00 0.00 55.06 54.56 1fxu s HIS 86 Cb -0.10 -0.80 0.50 0.00 1.11 0.00 0.00 32.58 33.30 1fxu s HIS 86 CO 0.03 0.13 1.89 1.98 -0.85 0.00 0.00 174.74 177.92 1fxu h MET 87 N 4.09 0.79 0.00 1.40 4.05 -1.80 -2.25 114.93 121.21 1fxu h MET 87 Ca -0.43 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 58.87 1fxu h MET 87 Cb 1.19 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.85 1fxu h MET 87 CO 0.42 0.66 0.00 0.10 0.23 0.00 0.00 176.91 178.31 1fxu h TYR 88 N 0.78 0.00 0.00 1.39 -0.00 -1.87 -0.11 116.97 117.15 1fxu h TYR 88 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.90 1fxu h TYR 88 Cb 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.90 1fxu h TYR 88 CO 0.01 0.00 -0.07 0.93 -0.00 0.00 0.00 178.16 179.03 1fxu h GLU 89 N 0.00 0.00 0.00 0.10 5.08 -1.77 -3.46 114.58 114.53 1fxu h GLU 89 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1fxu h GLU 89 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1fxu h GLU 89 CO 0.00 0.07 0.00 0.41 -1.00 0.00 0.00 179.01 178.49 1fxu n GLY 90 N 0.18 1.00 3.79 -3.84 0.00 -0.06 -5.09 105.19 101.17 1fxu n GLY 90 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1fxu n GLY 90 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fxu s TYR 91 N -2.00 3.80 0.65 1.61 2.02 -1.22 -5.06 117.35 117.15 1fxu s TYR 91 Ca 0.00 1.37 -0.12 0.00 -0.37 0.00 0.00 57.07 57.95 1fxu s TYR 91 Cb 0.00 -2.62 -0.02 0.00 -0.40 0.00 0.00 41.96 38.93 1fxu s TYR 91 CO 0.00 0.50 1.05 -1.25 -1.57 0.00 0.00 175.55 174.28 1fxu s PRO 92 N -0.85 3.21 0.56 -1.71 0.04 -1.26 -4.38 135.00 130.60 1fxu s PRO 92 Ca 0.32 0.96 0.25 0.00 0.04 0.00 0.00 61.00 62.57 1fxu s PRO 92 Cb -0.20 -2.03 1.55 0.00 0.04 0.00 0.00 34.50 33.86 1fxu s PRO 92 CO 0.21 -0.89 2.13 0.74 0.04 0.00 0.00 177.00 179.23 1fxu h PHE 93 N -0.32 0.00 0.00 0.56 0.04 -1.95 -0.48 116.94 114.79 1fxu h PHE 93 Ca -0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.32 1fxu h PHE 93 Cb 1.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.36 1fxu h PHE 93 CO 0.62 0.00 0.00 0.11 -0.60 0.00 0.00 178.31 178.44 1fxu h TRP 94 N 0.00 0.00 0.08 -0.55 5.08 -1.89 -1.82 115.95 116.84 1fxu h TRP 94 Ca 0.07 0.00 -0.37 0.00 1.08 0.00 0.00 58.89 59.67 1fxu h TRP 94 Cb 0.35 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.48 1fxu h TRP 94 CO 0.00 0.00 -2.16 1.63 -1.28 0.00 0.00 178.44 176.63 1fxu n LYS 95 N -2.33 0.72 -0.07 0.12 5.02 -0.23 -3.70 118.16 117.69 1fxu n LYS 95 Ca 0.02 0.23 0.09 0.00 -2.02 0.00 0.00 58.31 56.63 1fxu n LYS 95 Cb 0.22 -1.64 0.47 0.00 -0.02 0.00 0.00 35.03 34.06 1fxu n LYS 95 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1fxu h VAL 96 N 0.02 0.96 -0.55 -0.18 2.07 -1.10 -2.64 116.25 114.83 1fxu h VAL 96 Ca -0.48 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1fxu h VAL 96 Cb 1.97 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1fxu h VAL 96 CO 0.02 0.09 0.00 0.35 0.02 0.00 0.00 177.57 178.04 1fxu n THR 97 N -4.47 0.83 -0.27 2.57 -2.24 -0.72 -4.59 114.28 105.39 1fxu n THR 97 Ca 0.08 -0.91 0.03 0.00 -2.27 0.00 0.00 64.05 60.97 1fxu n THR 97 Cb 0.27 0.66 0.16 0.00 -2.10 0.00 0.00 70.33 69.33 1fxu n THR 97 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1fxu h PHE 98 N 3.91 0.73 -0.31 4.78 3.57 -1.55 -2.04 116.94 126.04 1fxu h PHE 98 Ca 0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1fxu h PHE 98 Cb 0.93 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1fxu h PHE 98 CO 0.37 0.26 0.20 -1.35 -2.23 0.00 0.00 178.31 175.56 1fxu h PRO 99 N 0.67 0.37 -0.77 6.41 0.11 -1.82 -2.93 132.00 134.04 1fxu h PRO 99 Ca 0.39 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.46 1fxu h PRO 99 Cb 0.42 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.41 1fxu h PRO 99 CO -0.28 0.25 0.41 0.28 -0.21 0.00 0.00 178.00 178.45 1fxu h VAL 100 N 0.38 1.23 -0.02 3.15 2.07 -1.70 -0.53 116.25 120.83 1fxu h VAL 100 Ca 0.12 -0.60 -0.13 0.00 0.82 0.00 0.00 66.70 66.90 1fxu h VAL 100 Cb 0.00 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 1fxu h VAL 100 CO -0.03 0.26 -0.60 0.03 0.02 0.00 0.00 177.57 177.25 1fxu h ARG 101 N 1.07 0.08 -0.06 1.57 3.08 -1.61 -2.61 114.38 115.90 1fxu h ARG 101 Ca 0.27 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 1fxu h ARG 101 Cb 0.05 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1fxu h ARG 101 CO -0.04 0.66 0.02 0.28 -1.07 0.00 0.00 179.97 179.82 1fxu h VAL 102 N 0.06 1.17 -0.92 2.04 2.07 -1.22 -2.06 116.25 117.39 1fxu h VAL 102 Ca -0.01 -0.50 0.13 0.00 0.82 0.00 0.00 66.70 67.14 1fxu h VAL 102 Cb 1.08 1.40 -0.09 0.00 -1.52 0.00 0.00 31.29 32.16 1fxu h VAL 102 CO 0.08 0.14 0.54 -0.26 0.02 0.00 0.00 177.57 178.09 1fxu h PHE 103 N -0.10 0.97 -0.56 1.57 0.04 -0.99 0.20 116.94 118.07 1fxu h PHE 103 Ca 0.02 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 1fxu h PHE 103 Cb 0.21 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.04 1fxu h PHE 103 CO -0.01 0.32 0.18 -0.09 -0.60 0.00 0.00 178.31 178.12 1fxu h ARG 104 N 0.81 0.84 0.00 1.51 9.65 -1.25 -1.74 114.38 124.20 1fxu h ARG 104 Ca 0.48 -0.15 0.00 0.00 -1.10 0.00 0.00 59.98 59.21 1fxu h ARG 104 Cb 0.57 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 1fxu h ARG 104 CO -0.31 0.72 0.00 1.28 2.80 0.00 0.00 179.97 184.46 1fxu n LEU 105 N -4.30 0.41 0.00 3.80 4.77 0.61 -2.34 117.00 119.95 1fxu n LEU 105 Ca 0.04 0.58 0.12 0.00 -0.03 0.00 0.00 56.01 56.72 1fxu n LEU 105 Cb 0.20 -0.49 0.20 0.00 -2.33 0.00 0.00 43.42 40.99 1fxu n LEU 105 CO 0.39 -0.32 0.38 0.18 -1.33 0.00 0.00 177.39 176.70 1fxu n LEU 106 N -1.92 0.56 0.00 2.23 4.77 -0.69 -4.93 117.00 117.02 1fxu n LEU 106 Ca 0.04 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1fxu n LEU 106 Cb 0.27 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1fxu n LEU 106 CO 0.21 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1fxu n GLY 107 N 1.49 1.10 3.77 -0.72 0.00 -0.99 -4.84 105.19 105.01 1fxu n GLY 107 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1fxu n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fxu s VAL 108 N -2.00 3.15 -0.03 1.61 1.01 -0.81 -4.76 120.40 118.57 1fxu s VAL 108 Ca 0.00 1.01 0.04 0.00 0.00 0.00 0.00 61.98 63.03 1fxu s VAL 108 Cb 0.00 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.73 1fxu s VAL 108 CO 0.00 0.14 0.04 -0.62 0.00 0.00 0.00 175.10 174.66 1fxu n GLU 109 N 0.33 2.26 -5.01 2.72 1.02 -0.60 -4.58 120.64 116.79 1fxu n GLU 109 Ca 0.03 -0.02 -0.28 0.00 -0.02 0.00 0.00 57.16 56.88 1fxu n GLU 109 Cb 0.46 -1.11 -0.16 0.00 -0.02 0.00 0.00 31.44 30.61 1fxu n GLU 109 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1fxu s THR 110 N -2.17 1.65 -0.10 2.62 2.01 -1.14 -1.40 115.64 117.10 1fxu s THR 110 Ca -0.02 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.15 1fxu s THR 110 Cb 0.02 -1.39 -0.01 0.00 0.01 0.00 0.00 72.50 71.13 1fxu s THR 110 CO 0.18 0.47 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.15 1fxu s LEU 111 N -0.23 2.32 -0.19 4.42 2.96 -0.17 -1.08 118.68 126.71 1fxu s LEU 111 Ca 0.01 -0.46 -0.02 0.00 -0.22 0.00 0.00 54.13 53.44 1fxu s LEU 111 Cb -0.10 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.10 1fxu s LEU 111 CO 0.01 0.18 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.44 1fxu s VAL 112 N 0.23 3.08 0.02 1.68 1.01 0.31 -1.38 120.40 125.36 1fxu s VAL 112 Ca -0.13 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1fxu s VAL 112 Cb -0.16 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1fxu s VAL 112 CO 0.07 0.47 -0.03 0.68 0.00 0.00 0.00 175.10 176.29 1fxu s VAL 113 N 1.15 3.92 0.02 2.92 -7.23 0.46 -1.14 120.40 120.50 1fxu s VAL 113 Ca 0.01 -0.74 -0.05 0.00 -1.81 0.00 0.00 61.98 59.40 1fxu s VAL 113 Cb -0.14 -2.75 -0.01 0.00 0.56 0.00 0.00 36.38 34.04 1fxu s VAL 113 CO -0.03 0.34 0.08 0.28 -0.31 0.00 0.00 175.10 175.46 1fxu s THR 114 N -1.09 0.11 0.23 5.32 -1.32 -1.01 -2.09 115.64 115.79 1fxu s THR 114 Ca 0.19 -0.89 -0.22 0.00 -1.21 0.00 0.00 61.69 59.56 1fxu s THR 114 Cb -0.11 -0.55 0.05 0.00 -1.51 0.00 0.00 72.50 70.37 1fxu s THR 114 CO 0.10 -0.49 0.86 0.54 -2.21 0.00 0.00 174.62 173.42 1fxu s ASN 115 N -1.66 -0.18 -0.09 8.08 6.03 -0.96 -3.25 114.94 122.93 1fxu s ASN 115 Ca -0.12 -0.58 -0.01 0.00 -1.03 0.00 0.00 52.86 51.13 1fxu s ASN 115 Cb -0.06 0.62 -0.03 0.00 -3.03 0.00 0.00 41.25 38.75 1fxu s ASN 115 CO -0.01 -1.16 -0.04 0.00 -2.03 0.00 0.00 177.10 173.86 1fxu s ALA 116 N -3.35 3.07 0.15 3.54 0.00 -1.26 0.13 121.76 124.04 1fxu s ALA 116 Ca 0.13 -0.85 -0.09 0.00 0.00 0.00 0.00 51.96 51.14 1fxu s ALA 116 Cb -0.04 -1.36 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 1fxu s ALA 116 CO 0.05 0.51 0.28 0.00 0.00 0.00 0.00 175.76 176.60 1fxu s ALA 117 N -0.62 -0.07 0.09 0.00 0.00 -0.71 -4.82 121.76 115.63 1fxu s ALA 117 Ca 0.10 -0.82 -0.17 0.00 0.00 0.00 0.00 51.96 51.06 1fxu s ALA 117 Cb -0.12 0.80 -0.07 0.00 0.00 0.00 0.00 23.12 23.74 1fxu s ALA 117 CO 0.02 -0.63 0.55 0.20 0.00 0.00 0.00 175.76 175.90 1fxu s GLY 118 N -2.95 2.59 -0.21 0.00 0.00 -0.13 -1.51 107.32 105.11 1fxu s GLY 118 Ca 0.15 -0.04 -0.21 0.00 0.00 0.00 0.00 44.72 44.62 1fxu s GLY 118 CO -0.02 0.34 0.67 -0.32 0.00 0.00 0.00 173.10 173.77 1fxu s GLY 119 N -1.28 1.97 -0.22 0.20 0.00 0.96 -0.80 107.32 108.15 1fxu s GLY 119 Ca 0.31 -0.27 0.04 0.00 0.00 0.00 0.00 44.72 44.80 1fxu s GLY 119 CO 0.18 1.42 -0.07 1.04 0.00 0.00 0.00 173.10 175.67 1fxu n LEU 120 N 5.30 2.38 -4.64 0.66 4.32 -0.48 -1.65 117.00 122.89 1fxu n LEU 120 Ca -0.00 -0.05 -0.43 0.00 -0.02 0.00 0.00 56.01 55.51 1fxu n LEU 120 Cb 0.49 -0.67 -0.03 0.00 -1.62 0.00 0.00 43.42 41.59 1fxu n LEU 120 CO 0.44 0.84 1.47 0.21 -1.22 0.00 0.00 177.39 179.14 1fxu s ASN 121 N -6.41 6.36 0.43 -1.43 3.84 -1.14 -4.86 114.94 111.72 1fxu s ASN 121 Ca -0.28 2.03 0.26 0.00 0.21 0.00 0.00 52.86 55.08 1fxu s ASN 121 Cb 0.08 -2.53 1.42 0.00 -0.55 0.00 0.00 41.25 39.67 1fxu s ASN 121 CO 0.67 -1.21 1.78 1.55 -2.79 0.00 0.00 177.10 177.10 1fxu h PRO 122 N 10.92 0.00 -0.00 0.43 0.13 -1.94 -1.60 132.00 139.93 1fxu h PRO 122 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1fxu h PRO 122 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1fxu h PRO 122 CO 0.97 0.00 -0.08 0.09 -0.23 0.00 0.00 178.00 178.75 1fxu n ASN 123 N -2.46 0.22 -4.80 1.44 3.02 -1.26 -4.87 115.26 106.55 1fxu n ASN 123 Ca -0.02 -0.20 -0.36 0.00 -0.03 0.00 0.00 54.58 53.97 1fxu n ASN 123 Cb 0.12 -0.20 -0.06 0.00 -0.61 0.00 0.00 39.78 39.02 1fxu n ASN 123 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1fxu s PHE 124 N -2.64 3.63 0.10 3.10 0.40 -0.61 -5.08 117.98 116.88 1fxu s PHE 124 Ca 0.25 1.62 0.10 0.00 -0.60 0.00 0.00 56.93 58.30 1fxu s PHE 124 Cb 0.20 -2.80 -0.04 0.00 0.51 0.00 0.00 43.02 40.89 1fxu s PHE 124 CO 0.50 0.21 -0.26 -1.21 0.70 0.00 0.00 175.22 175.16 1fxu s GLU 125 N -2.19 1.47 0.31 0.44 0.41 -1.26 -4.92 118.70 112.95 1fxu s GLU 125 Ca 0.49 -1.25 -0.28 0.00 -0.41 0.00 0.00 54.97 53.52 1fxu s GLU 125 Cb -0.17 -1.85 -0.13 0.00 -1.78 0.00 0.00 34.13 30.20 1fxu s GLU 125 CO 0.21 0.45 1.14 0.28 -0.49 0.00 0.00 175.26 176.86 1fxu n VAL 126 N 1.18 1.95 0.00 2.63 0.31 -1.26 -0.82 118.33 122.32 1fxu n VAL 126 Ca -0.18 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 1fxu n VAL 126 Cb 0.53 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 1fxu n VAL 126 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fxu n GLY 127 N 1.07 2.11 3.73 2.92 0.00 -0.14 -5.04 105.19 109.84 1fxu n GLY 127 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1fxu n GLY 127 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fxu s ASP 128 N -1.92 4.03 -0.15 1.61 1.01 0.00 -4.77 116.67 116.48 1fxu s ASP 128 Ca 0.00 2.11 0.01 0.00 0.71 0.00 0.00 52.55 55.38 1fxu s ASP 128 Cb 0.00 -2.56 -0.00 0.00 1.01 0.00 0.00 42.92 41.37 1fxu s ASP 128 CO 0.00 -2.36 -0.16 -0.63 0.21 0.00 0.00 175.17 172.23 1fxu s ILE 129 N -2.48 2.59 -0.18 0.77 1.01 -1.26 -1.01 121.20 120.63 1fxu s ILE 129 Ca 0.67 -0.80 -0.01 0.00 0.00 0.00 0.00 60.65 60.51 1fxu s ILE 129 Cb -0.23 -2.08 -0.00 0.00 0.01 0.00 0.00 42.46 40.16 1fxu s ILE 129 CO 0.51 0.52 -0.12 -0.32 0.00 0.00 0.00 174.94 175.53 1fxu s MET 130 N 0.78 3.25 0.25 2.79 1.75 -0.29 -1.68 119.30 126.14 1fxu s MET 130 Ca -0.06 -0.71 -0.30 0.00 -1.25 0.00 0.00 55.69 53.37 1fxu s MET 130 Cb -0.15 -2.75 -0.09 0.00 2.84 0.00 0.00 34.83 34.68 1fxu s MET 130 CO 0.00 -0.08 1.09 -0.51 -0.65 0.00 0.00 175.02 174.88 1fxu s LEU 131 N 1.08 4.54 -0.50 4.11 1.02 -0.17 -0.77 118.68 127.99 1fxu s LEU 131 Ca -0.00 2.21 -0.22 0.00 0.02 0.00 0.00 54.13 56.13 1fxu s LEU 131 Cb -0.15 -3.62 0.04 0.00 0.02 0.00 0.00 46.19 42.48 1fxu s LEU 131 CO -0.03 -0.15 0.80 -0.63 0.02 0.00 0.00 176.35 176.36 1fxu s ILE 132 N -0.89 4.61 -0.23 -0.59 1.01 -0.11 -0.84 121.20 124.17 1fxu s ILE 132 Ca 0.46 0.14 0.20 0.00 0.00 0.00 0.00 60.65 61.45 1fxu s ILE 132 Cb -0.31 -4.40 0.02 0.00 0.01 0.00 0.00 42.46 37.79 1fxu s ILE 132 CO 0.39 -0.89 1.12 -0.09 0.00 0.00 0.00 174.94 175.47 1fxu h ARG 133 N 9.11 0.00 -1.89 2.79 2.43 -1.51 -3.43 114.38 121.88 1fxu h ARG 133 Ca -0.26 0.00 0.23 0.00 -0.81 0.00 0.00 59.98 59.14 1fxu h ARG 133 Cb 1.08 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 30.52 1fxu h ARG 133 CO 1.01 0.14 0.65 0.34 -1.51 0.00 0.00 179.97 180.60 1fxu s ASP 134 N -5.74 -0.15 0.16 -3.80 2.15 -1.22 -4.66 116.67 103.41 1fxu s ASP 134 Ca 0.01 -0.20 -0.00 0.00 0.43 0.00 0.00 52.55 52.78 1fxu s ASP 134 Cb 0.08 0.31 -0.04 0.00 -0.30 0.00 0.00 42.92 42.97 1fxu s ASP 134 CO 0.77 -0.56 0.05 -1.38 -0.17 0.00 0.00 175.17 173.88 1fxu s HIS 135 N -2.84 1.05 -0.14 -5.34 -3.43 -1.26 -1.08 115.29 102.26 1fxu s HIS 135 Ca 0.12 -1.18 0.01 0.00 -0.80 0.00 0.00 55.06 53.20 1fxu s HIS 135 Cb 0.01 -0.59 0.02 0.00 -1.43 0.00 0.00 32.58 30.59 1fxu s HIS 135 CO -0.02 -0.42 -0.15 0.42 -2.00 0.00 0.00 174.74 172.56 1fxu s ILE 136 N -3.92 1.58 -0.85 -5.38 1.01 0.41 -4.89 121.20 109.16 1fxu s ILE 136 Ca 0.27 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 60.13 1fxu s ILE 136 Cb 0.07 -1.47 0.22 0.00 0.01 0.00 0.00 42.46 41.30 1fxu s ILE 136 CO 0.04 0.46 0.80 0.21 0.00 0.00 0.00 174.94 176.45 1fxu s ASN 137 N 1.30 6.79 0.15 3.58 3.04 -1.26 -1.84 114.94 126.71 1fxu s ASN 137 Ca 0.01 -2.80 -0.14 0.00 0.04 0.00 0.00 52.86 49.97 1fxu s ASN 137 Cb -0.14 -2.20 0.04 0.00 -1.54 0.00 0.00 41.25 37.41 1fxu s ASN 137 CO -0.08 -0.53 1.70 -0.07 -3.04 0.00 0.00 177.10 175.08 1fxu h LEU 138 N 7.63 0.70 -1.70 3.21 3.38 -1.95 -2.55 115.31 124.04 1fxu h LEU 138 Ca 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1fxu h LEU 138 Cb 1.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1fxu h LEU 138 CO 0.78 0.68 0.06 -0.65 0.09 0.00 0.00 178.44 179.40 1fxu h PRO 139 N 0.68 0.25 0.00 1.13 0.11 -1.86 -0.92 132.00 131.38 1fxu h PRO 139 Ca 0.17 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.19 1fxu h PRO 139 Cb 0.20 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 1fxu h PRO 139 CO -0.01 0.22 -0.30 0.78 -0.21 0.00 0.00 178.00 178.48 1fxu h GLY 140 N 0.39 0.00 1.52 -0.55 0.00 -1.44 -1.39 103.07 101.60 1fxu h GLY 140 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.41 1fxu h GLY 140 CO -0.01 0.00 0.29 0.74 0.00 0.00 0.00 176.54 177.56 1fxu h PHE 141 N 0.00 0.49 -0.02 5.60 0.04 -0.93 -1.80 116.94 120.32 1fxu h PHE 141 Ca -0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1fxu h PHE 141 Cb 0.57 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.55 1fxu h PHE 141 CO 0.00 0.30 -0.02 -1.13 -0.60 0.00 0.00 178.31 176.86 1fxu n SER 142 N -4.48 2.23 0.00 2.17 3.41 -0.84 -4.95 113.62 111.17 1fxu n SER 142 Ca 0.04 -1.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.92 1fxu n SER 142 Cb 0.11 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1fxu n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fxu n GLY 143 N 1.27 0.56 3.57 5.00 0.00 -0.68 -5.03 105.19 109.88 1fxu n GLY 143 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1fxu n GLY 143 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fxu s GLN 144 N -0.65 3.32 -0.09 1.61 -1.52 -0.58 -4.90 119.66 116.85 1fxu s GLN 144 Ca 0.00 0.13 -0.08 0.00 -1.95 0.00 0.00 55.36 53.47 1fxu s GLN 144 Cb 0.00 -4.11 0.03 0.00 -0.22 0.00 0.00 33.01 28.70 1fxu s GLN 144 CO 0.00 -1.95 0.23 1.21 -0.25 0.00 0.00 175.29 174.54 1fxu s ASN 145 N 3.76 -0.24 0.53 5.90 2.47 -1.26 -3.27 114.94 122.82 1fxu s ASN 145 Ca 0.43 0.48 0.36 0.00 0.42 0.00 0.00 52.86 54.54 1fxu s ASN 145 Cb -0.09 0.46 1.81 0.00 -1.45 0.00 0.00 41.25 41.99 1fxu s ASN 145 CO 0.21 -0.10 2.08 1.55 -3.72 0.00 0.00 177.10 177.13 1fxu h PRO 146 N 6.03 0.00 -0.10 0.43 0.13 -1.91 -2.12 132.00 134.47 1fxu h PRO 146 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1fxu h PRO 146 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1fxu h PRO 146 CO 0.36 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.41 1fxu n LEU 147 N -2.83 2.02 -4.73 1.56 4.77 -1.26 -4.62 117.00 111.91 1fxu n LEU 147 Ca -0.01 -0.75 -0.42 0.00 -0.03 0.00 0.00 56.01 54.80 1fxu n LEU 147 Cb 0.13 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1fxu n LEU 147 CO 0.19 0.37 1.16 -0.60 -1.33 0.00 0.00 177.39 177.19 1fxu s ARG 148 N -1.89 4.25 0.00 3.23 3.52 -0.80 -4.77 118.95 122.49 1fxu s ARG 148 Ca 0.35 2.31 0.00 0.00 -0.13 0.00 0.00 55.73 58.26 1fxu s ARG 148 Cb 0.20 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.45 1fxu s ARG 148 CO 0.31 -0.51 0.00 0.41 -0.81 0.00 0.00 175.30 174.69 1fxu n GLY 149 N 3.07 -0.30 3.77 8.12 0.00 -1.26 -5.01 105.19 113.58 1fxu n GLY 149 Ca 0.11 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 1fxu n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fxu s PRO 150 N -0.21 4.14 0.19 1.61 0.04 -1.26 -4.96 135.00 134.55 1fxu s PRO 150 Ca 0.00 2.53 -0.29 0.00 0.04 0.00 0.00 61.00 63.29 1fxu s PRO 150 Cb 0.00 -2.99 -0.08 0.00 0.04 0.00 0.00 34.50 31.47 1fxu s PRO 150 CO 0.00 -0.51 0.90 1.21 0.04 0.00 0.00 177.00 178.64 1fxu s ASN 151 N -0.09 7.55 -0.62 6.66 2.47 -1.26 -5.02 114.94 124.63 1fxu s ASN 151 Ca 0.54 1.83 -0.18 0.00 0.42 0.00 0.00 52.86 55.47 1fxu s ASN 151 Cb -0.46 -2.58 0.12 0.00 -1.45 0.00 0.00 41.25 36.89 1fxu s ASN 151 CO 0.60 0.12 0.69 -0.70 -3.72 0.00 0.00 177.10 174.09 1fxu s GLU 152 N -0.90 3.12 0.51 0.43 2.56 -1.26 -4.91 118.70 118.24 1fxu s GLU 152 Ca 0.41 -1.55 0.28 0.00 0.00 0.00 0.00 54.97 54.11 1fxu s GLU 152 Cb -0.25 -4.33 1.39 0.00 2.00 0.00 0.00 34.13 32.94 1fxu s GLU 152 CO 0.30 -1.49 1.88 0.93 -0.56 0.00 0.00 175.26 176.32 1fxu h GLU 153 N 8.96 0.10 0.00 4.30 4.39 -1.96 0.43 114.58 130.80 1fxu h GLU 153 Ca -0.23 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1fxu h GLU 153 Cb 1.08 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1fxu h GLU 153 CO 1.05 0.06 0.00 0.00 -1.16 0.00 0.00 179.01 178.97 1fxu h ARG 154 N 0.10 0.00 0.00 2.33 3.08 -2.02 -3.22 114.38 114.65 1fxu h ARG 154 Ca 0.44 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 60.10 1fxu h ARG 154 Cb 1.57 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.57 1fxu h ARG 154 CO -0.05 0.00 -2.12 1.19 -1.07 0.00 0.00 179.97 177.91 1fxu n PHE 155 N -2.94 0.35 -3.28 3.04 3.72 0.12 -5.10 117.46 113.38 1fxu n PHE 155 Ca -0.00 0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 1fxu n PHE 155 Cb 0.21 -1.04 0.00 0.00 -0.94 0.00 0.00 39.48 37.71 1fxu n PHE 155 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1fxu n GLY 156 N 1.35 1.39 3.90 1.37 0.00 -1.09 -4.03 105.19 108.08 1fxu n GLY 156 Ca -0.47 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.39 1fxu n GLY 156 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fxu s VAL 157 N -2.55 4.54 0.20 1.61 -7.23 -1.26 -4.07 120.40 111.63 1fxu s VAL 157 Ca 0.00 0.34 -0.10 0.00 -1.81 0.00 0.00 61.98 60.41 1fxu s VAL 157 Cb 0.00 -3.77 0.13 0.00 0.56 0.00 0.00 36.38 33.30 1fxu s VAL 157 CO 0.00 -0.84 1.82 -0.09 -0.31 0.00 0.00 175.10 175.68 1fxu h ARG 158 N -0.04 0.68 -3.02 4.82 9.65 -1.97 -3.35 114.38 121.16 1fxu h ARG 158 Ca -0.46 -0.04 -0.62 0.00 -1.10 0.00 0.00 59.98 57.76 1fxu h ARG 158 Cb 1.21 -0.15 -0.41 0.00 -1.39 0.00 0.00 29.97 29.23 1fxu h ARG 158 CO 0.62 0.45 -0.65 -0.06 2.80 0.00 0.00 179.97 183.13 1fxu s PHE 159 N -6.11 3.06 0.39 2.20 0.08 -1.26 -5.05 117.98 111.28 1fxu s PHE 159 Ca -0.13 -3.11 -0.24 0.00 0.12 0.00 0.00 56.93 53.57 1fxu s PHE 159 Cb 0.15 -2.42 -0.09 0.00 -0.57 0.00 0.00 43.02 40.10 1fxu s PHE 159 CO 0.76 -0.63 1.05 -1.25 -0.10 0.00 0.00 175.22 175.05 1fxu s PRO 160 N -0.95 4.20 0.27 0.24 0.04 -1.26 -5.03 135.00 132.51 1fxu s PRO 160 Ca 0.24 1.54 -0.19 0.00 0.04 0.00 0.00 61.00 62.64 1fxu s PRO 160 Cb -0.08 -2.60 -0.09 0.00 0.04 0.00 0.00 34.50 31.77 1fxu s PRO 160 CO -0.13 -0.11 0.75 0.00 0.04 0.00 0.00 177.00 177.55 1fxu s ALA 161 N -1.61 3.36 -0.08 8.56 0.00 -1.26 -4.99 121.76 125.75 1fxu s ALA 161 Ca 0.57 0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.70 1fxu s ALA 161 Cb -0.23 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1fxu s ALA 161 CO 0.29 0.31 0.45 -1.33 0.00 0.00 0.00 175.76 175.48 1fxu n MET 162 N 0.35 0.26 0.31 0.00 2.81 -1.26 -4.73 117.12 114.87 1fxu n MET 162 Ca 0.00 -0.46 0.20 0.00 -1.81 0.00 0.00 57.70 55.63 1fxu n MET 162 Cb 0.52 -0.94 1.03 0.00 -0.71 0.00 0.00 33.22 33.11 1fxu n MET 162 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1fxu h SER 163 N 0.11 0.00 -0.31 7.83 4.64 -2.02 -2.68 113.55 121.12 1fxu h SER 163 Ca 0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 1fxu h SER 163 Cb 0.03 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 61.95 1fxu h SER 163 CO 0.00 0.01 -0.57 -0.90 -0.87 0.00 0.00 176.83 174.50 1fxu n ASP 164 N -3.19 3.02 -0.19 4.97 5.75 -1.26 -4.83 116.55 120.81 1fxu n ASP 164 Ca -0.02 -3.84 -0.04 0.00 -0.01 0.00 0.00 54.79 50.88 1fxu n ASP 164 Cb 0.14 -0.47 0.07 0.00 -1.03 0.00 0.00 41.12 39.83 1fxu n ASP 164 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1fxu h ALA 165 N 1.45 0.74 -1.94 2.12 0.00 -1.80 -3.38 119.26 116.45 1fxu h ALA 165 Ca 0.16 0.01 -0.71 0.00 0.00 0.00 0.00 54.91 54.37 1fxu h ALA 165 Cb 1.24 -0.10 -0.20 0.00 0.00 0.00 0.00 17.79 18.72 1fxu h ALA 165 CO 0.33 -0.02 0.09 0.71 0.00 0.00 0.00 179.25 180.36 1fxu s TYR 166 N -6.12 3.04 -0.39 0.00 2.02 -1.26 -4.26 117.35 110.38 1fxu s TYR 166 Ca -0.13 -1.03 -0.37 0.00 -0.37 0.00 0.00 57.07 55.17 1fxu s TYR 166 Cb 0.14 -3.99 -0.16 0.00 -0.40 0.00 0.00 41.96 37.55 1fxu s TYR 166 CO 0.74 -1.26 1.25 -3.47 -1.57 0.00 0.00 175.55 171.24 1fxu n ASP 167 N 6.17 0.93 -0.11 2.29 2.03 -0.79 -4.89 116.55 122.18 1fxu n ASP 167 Ca -0.09 0.94 -0.10 0.00 0.52 0.00 0.00 54.79 56.06 1fxu n ASP 167 Cb 0.42 -0.70 -0.02 0.00 -0.72 0.00 0.00 41.12 40.11 1fxu n ASP 167 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1fxu h ARG 168 N 3.91 0.55 -0.69 -0.67 2.43 -1.91 -2.94 114.38 115.06 1fxu h ARG 168 Ca -0.35 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1fxu h ARG 168 Cb 1.08 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.53 1fxu h ARG 168 CO 0.77 0.61 0.42 -0.44 -1.51 0.00 0.00 179.97 179.82 1fxu h ASP 169 N 0.39 0.83 -0.05 -3.80 3.32 -2.00 -1.25 116.42 113.87 1fxu h ASP 169 Ca 0.11 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 1fxu h ASP 169 Cb 0.32 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1fxu h ASP 169 CO 0.00 0.65 -0.17 0.24 -1.72 0.00 0.00 179.24 178.24 1fxu h MET 170 N 0.94 0.40 -0.39 3.56 2.86 -1.95 0.10 114.93 120.45 1fxu h MET 170 Ca 0.25 -0.12 -0.06 0.00 -2.06 0.00 0.00 59.70 57.71 1fxu h MET 170 Cb -0.03 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1fxu h MET 170 CO -0.05 0.56 -0.00 0.00 1.06 0.00 0.00 176.91 178.48 1fxu h ARG 171 N 0.37 0.69 -0.21 1.72 3.08 -1.27 0.84 114.38 119.60 1fxu h ARG 171 Ca 0.07 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 59.91 1fxu h ARG 171 Cb 0.51 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1fxu h ARG 171 CO 0.03 0.78 0.10 1.96 -1.07 0.00 0.00 179.97 181.78 1fxu h GLN 172 N 0.51 0.21 -0.69 0.04 4.20 -0.59 -2.02 115.11 116.78 1fxu h GLN 172 Ca 0.11 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.84 1fxu h GLN 172 Cb 0.47 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.17 1fxu h GLN 172 CO 0.02 0.14 0.45 0.87 -0.67 0.00 0.00 178.83 179.64 1fxu h LYS 173 N 0.22 0.81 -0.61 1.46 1.57 -0.76 -1.60 116.57 117.66 1fxu h LYS 173 Ca 0.08 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1fxu h LYS 173 Cb 0.02 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1fxu h LYS 173 CO -0.06 0.54 0.14 0.00 -0.57 0.00 0.00 179.45 179.50 1fxu h ALA 174 N 1.60 1.10 -0.49 3.86 0.00 -0.28 0.22 119.26 125.27 1fxu h ALA 174 Ca 0.27 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1fxu h ALA 174 Cb 0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1fxu h ALA 174 CO -0.07 0.60 -0.16 0.45 0.00 0.00 0.00 179.25 180.07 1fxu h HIS 175 N 0.91 1.06 -0.28 0.00 3.86 -0.61 -1.77 115.15 118.31 1fxu h HIS 175 Ca 0.19 -0.23 -0.07 0.00 -1.16 0.00 0.00 60.37 59.11 1fxu h HIS 175 Cb 0.34 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 1fxu h HIS 175 CO 0.02 1.02 -0.08 0.77 0.86 0.00 0.00 177.93 180.52 1fxu h SER 176 N 0.83 0.56 -0.90 2.45 0.02 -1.13 -2.87 113.55 112.51 1fxu h SER 176 Ca 0.12 -0.37 0.02 0.00 -0.84 0.00 0.00 61.79 60.72 1fxu h SER 176 Cb 0.71 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 63.05 1fxu h SER 176 CO 0.05 0.80 0.59 0.74 -1.14 0.00 0.00 176.83 177.88 1fxu h THR 177 N 0.31 1.20 -0.85 -2.27 2.02 -0.84 -2.45 112.91 110.04 1fxu h THR 177 Ca 0.07 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1fxu h THR 177 Cb 0.56 -0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 66.84 1fxu h THR 177 CO 0.03 0.22 0.49 -0.25 0.37 0.00 0.00 175.52 176.38 1fxu h TRP 178 N 1.19 1.13 -0.12 3.16 2.91 -1.25 -1.82 115.95 121.14 1fxu h TRP 178 Ca 0.34 -0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.27 1fxu h TRP 178 Cb -0.09 -0.37 -0.01 0.00 -0.51 0.00 0.00 29.16 28.18 1fxu h TRP 178 CO -0.01 0.76 -0.29 0.87 -1.03 0.00 0.00 178.44 178.74 1fxu h LYS 179 N 1.17 0.23 0.00 2.65 1.57 -1.22 -1.90 116.57 119.08 1fxu h LYS 179 Ca 0.30 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1fxu h LYS 179 Cb -0.02 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1fxu h LYS 179 CO -0.05 0.51 0.00 1.96 -0.57 0.00 0.00 179.45 181.30 1fxu h GLN 180 N 0.21 0.00 -0.00 3.15 4.20 -1.05 -2.29 115.11 119.32 1fxu h GLN 180 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1fxu h GLN 180 Cb 0.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1fxu h GLN 180 CO 0.05 0.00 -0.16 -1.33 -0.67 0.00 0.00 178.83 176.71 1fxu n MET 181 N -2.46 0.40 -2.17 1.46 2.81 -0.71 -4.94 117.12 111.51 1fxu n MET 181 Ca 0.02 -0.14 -0.21 0.00 -1.81 0.00 0.00 57.70 55.56 1fxu n MET 181 Cb 0.26 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.24 1fxu n MET 181 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1fxu n GLY 182 N 1.37 0.22 3.76 3.03 0.00 -0.86 -4.95 105.19 107.77 1fxu n GLY 182 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1fxu n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fxu s GLU 183 N -4.68 3.51 0.06 1.61 0.41 -1.26 -4.94 118.70 113.40 1fxu s GLU 183 Ca 0.00 2.16 -0.16 0.00 -0.41 0.00 0.00 54.97 56.56 1fxu s GLU 183 Cb 0.00 -2.45 -0.20 0.00 -1.78 0.00 0.00 34.13 29.71 1fxu s GLU 183 CO 0.00 -0.87 1.21 0.37 -0.49 0.00 0.00 175.26 175.48 1fxu h GLN 184 N 1.94 0.60 -6.94 1.61 -0.00 -1.97 -3.44 115.11 106.91 1fxu h GLN 184 Ca -0.50 -0.55 -0.46 0.00 -0.00 0.00 0.00 58.65 57.14 1fxu h GLN 184 Cb 1.27 0.13 -0.02 0.00 0.00 0.00 0.00 27.48 28.86 1fxu h GLN 184 CO 0.59 1.17 0.31 0.50 0.00 0.00 0.00 178.83 181.40 1fxu s ARG 185 N -3.53 4.35 0.41 1.69 6.06 -1.26 -5.05 118.95 121.61 1fxu s ARG 185 Ca -0.12 1.15 -0.05 0.00 -2.50 0.00 0.00 55.73 54.21 1fxu s ARG 185 Cb 0.06 -2.47 -0.04 0.00 0.06 0.00 0.00 34.95 32.56 1fxu s ARG 185 CO 0.86 0.12 0.70 -1.21 -2.50 0.00 0.00 175.30 173.28 1fxu s GLU 186 N -2.68 3.60 -0.20 5.12 2.02 -1.26 -5.02 118.70 120.28 1fxu s GLU 186 Ca 0.56 0.13 -0.29 0.00 0.02 0.00 0.00 54.97 55.38 1fxu s GLU 186 Cb -0.13 -2.48 -0.01 0.00 0.10 0.00 0.00 34.13 31.61 1fxu s GLU 186 CO 0.18 -0.03 1.24 -1.17 0.02 0.00 0.00 175.26 175.49 1fxu s LEU 187 N -4.27 4.11 0.77 1.80 0.20 -1.26 -4.81 118.68 115.22 1fxu s LEU 187 Ca 0.46 1.55 -0.12 0.00 0.69 0.00 0.00 54.13 56.72 1fxu s LEU 187 Cb -0.10 -3.54 0.05 0.00 -0.43 0.00 0.00 46.19 42.17 1fxu s LEU 187 CO 0.38 -0.81 1.14 -1.10 -0.29 0.00 0.00 176.35 175.67 1fxu s GLN 188 N 3.60 2.32 -0.23 1.98 -1.52 -0.68 -4.95 119.66 120.18 1fxu s GLN 188 Ca 0.54 0.27 -0.16 0.00 -1.95 0.00 0.00 55.36 54.06 1fxu s GLN 188 Cb -0.20 -1.98 0.07 0.00 -0.22 0.00 0.00 33.01 30.68 1fxu s GLN 188 CO 0.15 -1.38 0.59 -2.00 -0.25 0.00 0.00 175.29 172.40 1fxu s GLU 189 N -5.47 0.63 0.02 2.91 2.12 -1.26 -1.00 118.70 116.65 1fxu s GLU 189 Ca 0.60 0.98 -0.06 0.00 0.36 0.00 0.00 54.97 56.85 1fxu s GLU 189 Cb -0.11 0.17 0.02 0.00 0.26 0.00 0.00 34.13 34.47 1fxu s GLU 189 CO 0.50 -0.13 0.28 0.41 -0.54 0.00 0.00 175.26 175.79 1fxu n GLY 190 N 3.75 0.82 3.70 -1.50 0.00 -0.02 -4.88 105.19 107.06 1fxu n GLY 190 Ca -0.19 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.53 1fxu n GLY 190 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fxu s THR 191 N -2.27 5.25 -0.11 2.61 2.01 -1.26 -1.28 115.64 120.59 1fxu s THR 191 Ca 0.06 0.65 -0.11 0.00 0.31 0.00 0.00 61.69 62.61 1fxu s THR 191 Cb -0.00 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 1fxu s THR 191 CO 0.01 0.33 0.23 -0.47 -0.69 0.00 0.00 174.62 174.02 1fxu s TYR 192 N 0.84 3.59 -0.06 4.92 6.14 -0.24 -0.63 117.35 131.91 1fxu s TYR 192 Ca 0.18 0.64 0.05 0.00 0.64 0.00 0.00 57.07 58.58 1fxu s TYR 192 Cb -0.14 -2.13 -0.02 0.00 0.42 0.00 0.00 41.96 40.10 1fxu s TYR 192 CO 0.06 0.57 -0.22 0.54 0.64 0.00 0.00 175.55 177.14 1fxu s VAL 193 N -0.61 2.31 -0.13 3.14 0.11 0.08 -0.44 120.40 124.87 1fxu s VAL 193 Ca 0.17 -0.98 -0.03 0.00 -2.93 0.00 0.00 61.98 58.20 1fxu s VAL 193 Cb -0.13 -1.86 -0.03 0.00 -1.53 0.00 0.00 36.38 32.83 1fxu s VAL 193 CO 0.06 0.57 -0.02 -0.32 -3.33 0.00 0.00 175.10 172.06 1fxu s MET 194 N -0.29 3.41 0.34 1.54 1.75 -0.77 -1.99 119.30 123.29 1fxu s MET 194 Ca 0.01 -0.47 0.04 0.00 -1.25 0.00 0.00 55.69 54.02 1fxu s MET 194 Cb -0.13 -2.88 -0.06 0.00 2.84 0.00 0.00 34.83 34.60 1fxu s MET 194 CO 0.03 0.43 0.05 -0.48 -0.65 0.00 0.00 175.02 174.40 1fxu s LEU 195 N -0.13 2.26 0.16 4.11 0.05 -0.79 -3.05 118.68 121.29 1fxu s LEU 195 Ca 0.04 -1.39 -0.11 0.00 0.05 0.00 0.00 54.13 52.71 1fxu s LEU 195 Cb -0.13 -0.44 0.05 0.00 -2.05 0.00 0.00 46.19 43.62 1fxu s LEU 195 CO 0.02 -0.60 1.66 1.23 -0.55 0.00 0.00 176.35 178.11 1fxu h GLY 196 N 2.05 0.99 -0.17 -3.48 0.00 -1.93 -3.38 103.07 97.15 1fxu h GLY 196 Ca -0.41 -0.65 0.02 0.00 0.00 0.00 0.00 47.33 46.29 1fxu h GLY 196 CO 0.71 0.61 -0.03 0.61 0.00 0.00 0.00 176.54 178.44 1fxu n GLY 197 N -0.56 -1.99 0.01 4.60 0.00 -1.26 -3.97 105.19 102.01 1fxu n GLY 197 Ca 0.02 -1.39 0.13 0.00 0.00 0.00 0.00 46.02 44.78 1fxu n GLY 197 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fxu n PRO 198 N -0.72 0.05 -1.27 1.61 -0.04 -1.26 -4.82 135.00 128.55 1fxu n PRO 198 Ca 0.00 -0.02 -0.31 0.00 -0.04 0.00 0.00 63.50 63.13 1fxu n PRO 198 Cb 0.04 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.09 1fxu n PRO 198 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1fxu s ASN 199 N -2.97 4.35 0.32 3.54 2.20 -1.26 -5.03 114.94 116.10 1fxu s ASN 199 Ca 0.13 1.74 -0.07 0.00 -0.94 0.00 0.00 52.86 53.72 1fxu s ASN 199 Cb 0.18 -2.44 -0.06 0.00 -2.00 0.00 0.00 41.25 36.93 1fxu s ASN 199 CO 0.63 -2.12 0.63 -0.36 -2.94 0.00 0.00 177.10 172.94 1fxu s PHE 200 N -2.92 3.47 0.79 1.54 0.08 -1.26 -5.07 117.98 114.61 1fxu s PHE 200 Ca 0.61 0.80 -0.12 0.00 0.12 0.00 0.00 56.93 58.34 1fxu s PHE 200 Cb -0.17 -2.23 0.07 0.00 -0.57 0.00 0.00 43.02 40.12 1fxu s PHE 200 CO 0.56 0.09 1.14 -1.21 -0.10 0.00 0.00 175.22 175.70 1fxu s GLU 201 N -3.58 1.92 0.66 0.44 8.01 -1.26 -5.07 118.70 119.82 1fxu s GLU 201 Ca 0.47 1.48 -0.01 0.00 0.01 0.00 0.00 54.97 56.92 1fxu s GLU 201 Cb -0.11 -1.84 0.09 0.00 -4.31 0.00 0.00 34.13 27.96 1fxu s GLU 201 CO 0.29 -1.94 0.92 0.95 0.01 0.00 0.00 175.26 175.49 1fxu s THR 202 N -2.50 2.35 0.13 3.63 -4.23 -1.26 -4.93 115.64 108.83 1fxu s THR 202 Ca 0.67 -0.58 -0.14 0.00 -1.18 0.00 0.00 61.69 60.47 1fxu s THR 202 Cb -0.23 -2.77 -0.02 0.00 1.34 0.00 0.00 72.50 70.82 1fxu s THR 202 CO 0.52 0.00 1.54 0.58 -0.54 0.00 0.00 174.62 176.72 1fxu h VAL 203 N -0.33 1.27 -0.21 2.29 2.07 -1.95 -1.91 116.25 117.48 1fxu h VAL 203 Ca -0.39 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 65.95 1fxu h VAL 203 Cb 1.28 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1fxu h VAL 203 CO 0.47 0.39 -0.01 0.00 0.02 0.00 0.00 177.57 178.43 1fxu h ALA 204 N 0.86 1.60 -0.26 1.67 0.00 -1.94 -1.64 119.26 119.55 1fxu h ALA 204 Ca 0.11 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1fxu h ALA 204 Cb 0.58 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1fxu h ALA 204 CO 0.03 0.30 -0.27 0.93 0.00 0.00 0.00 179.25 180.24 1fxu h GLU 205 N 0.30 0.64 -0.77 0.00 5.08 -1.85 -2.61 114.58 115.37 1fxu h GLU 205 Ca 0.07 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 1fxu h GLU 205 Cb 0.23 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1fxu h GLU 205 CO 0.01 0.95 0.36 0.00 -1.00 0.00 0.00 179.01 179.32 1fxu h ARG 207 N 1.09 0.37 -0.45 0.00 3.08 -1.29 -1.31 114.38 115.86 1fxu h ARG 207 Ca 0.26 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.32 1fxu h ARG 207 Cb 0.14 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 1fxu h ARG 207 CO -0.03 0.24 0.23 1.25 -1.07 0.00 0.00 179.97 180.60 1fxu h LEU 208 N 0.38 0.34 -0.76 3.04 6.46 -1.06 -0.83 115.31 122.89 1fxu h LEU 208 Ca 0.12 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.88 1fxu h LEU 208 Cb -0.00 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 39.85 1fxu h LEU 208 CO -0.06 0.24 0.37 -0.07 -0.62 0.00 0.00 178.44 178.31 1fxu h LEU 209 N 0.47 0.98 -0.35 2.25 3.38 -0.55 -2.35 115.31 119.14 1fxu h LEU 209 Ca 0.19 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1fxu h LEU 209 Cb 0.09 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1fxu h LEU 209 CO -0.13 0.84 0.13 -0.09 0.09 0.00 0.00 178.44 179.28 1fxu h ARG 210 N 1.06 0.53 0.00 1.13 9.65 -0.86 -2.42 114.38 123.47 1fxu h ARG 210 Ca 0.26 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 1fxu h ARG 210 Cb 0.11 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 1fxu h ARG 210 CO -0.03 0.53 0.00 -0.91 2.80 0.00 0.00 179.97 182.36 1fxu h ASN 211 N 0.41 0.00 0.27 -3.80 2.35 -0.87 -0.78 115.58 113.16 1fxu h ASN 211 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1fxu h ASN 211 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1fxu h ASN 211 CO -0.01 0.00 -0.06 0.18 -1.65 0.00 0.00 177.43 175.89 1fxu n LEU 212 N -3.06 0.43 0.00 1.61 4.32 -0.91 -4.90 117.00 114.48 1fxu n LEU 212 Ca -0.01 -0.02 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 1fxu n LEU 212 Cb 0.17 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 41.83 1fxu n LEU 212 CO 0.23 0.08 0.00 0.61 -1.22 0.00 0.00 177.39 177.08 1fxu n GLY 213 N 1.21 0.95 3.80 -0.72 0.00 -0.30 -5.09 105.19 105.04 1fxu n GLY 213 Ca 0.17 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1fxu n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fxu s ALA 214 N -2.00 3.40 -0.03 4.61 0.00 -1.01 -4.69 121.76 122.04 1fxu s ALA 214 Ca 0.00 0.28 0.15 0.00 0.00 0.00 0.00 51.96 52.39 1fxu s ALA 214 Cb 0.00 -2.91 -0.24 0.00 0.00 0.00 0.00 23.12 19.97 1fxu s ALA 214 CO 0.00 0.30 0.32 -0.25 0.00 0.00 0.00 175.76 176.12 1fxu n ASP 215 N 0.99 1.44 -3.70 0.00 8.00 0.19 -4.41 116.55 119.06 1fxu n ASP 215 Ca -0.03 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.33 1fxu n ASP 215 Cb 0.50 1.64 -0.08 0.00 -0.02 0.00 0.00 41.12 43.16 1fxu n ASP 215 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fxu s ALA 216 N -3.02 -1.04 0.00 2.24 0.00 -1.05 -1.38 121.76 117.51 1fxu s ALA 216 Ca -0.06 0.69 0.07 0.00 0.00 0.00 0.00 51.96 52.66 1fxu s ALA 216 Cb 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 1fxu s ALA 216 CO 0.64 -0.27 -0.22 0.14 0.00 0.00 0.00 175.76 176.05 1fxu s VAL 217 N -1.03 1.77 0.16 0.00 -7.23 0.02 -0.74 120.40 113.35 1fxu s VAL 217 Ca -0.11 -1.04 -0.03 0.00 -1.81 0.00 0.00 61.98 58.99 1fxu s VAL 217 Cb -0.04 -1.49 0.01 0.00 0.56 0.00 0.00 36.38 35.43 1fxu s VAL 217 CO 0.05 0.42 0.27 0.61 -0.31 0.00 0.00 175.10 176.14 1fxu n GLY 218 N 2.32 2.24 0.77 2.32 0.00 -0.84 -0.95 105.19 111.04 1fxu n GLY 218 Ca -0.16 -1.34 0.06 0.00 0.00 0.00 0.00 46.02 44.58 1fxu n GLY 218 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1fxu n MET 219 N -0.25 1.05 0.00 1.61 2.81 -1.26 -1.89 117.12 119.20 1fxu n MET 219 Ca -0.01 -2.76 0.00 0.00 -1.81 0.00 0.00 57.70 53.12 1fxu n MET 219 Cb 0.26 -1.12 0.00 0.00 -0.71 0.00 0.00 33.22 31.64 1fxu n MET 219 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1fxu n SER 220 N -0.67 0.00 0.00 7.83 3.41 -1.26 -4.55 113.62 118.37 1fxu n SER 220 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1fxu n SER 220 Cb 0.80 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 1fxu n SER 220 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1fxu n THR 221 N 0.00 0.00 -0.19 6.66 -1.04 -1.26 -4.62 114.28 113.84 1fxu n THR 221 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 1fxu n THR 221 Cb 0.00 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 68.60 1fxu n THR 221 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1fxu h VAL 222 N 0.00 0.81 -0.73 12.58 2.07 -1.98 -1.55 116.25 127.46 1fxu h VAL 222 Ca 0.00 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.43 1fxu h VAL 222 Cb 0.00 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.09 1fxu h VAL 222 CO 0.00 0.07 0.44 -0.65 0.02 0.00 0.00 177.57 177.45 1fxu h PRO 223 N 0.41 0.80 -0.54 1.57 0.11 -1.99 -1.69 132.00 130.66 1fxu h PRO 223 Ca 0.28 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 1fxu h PRO 223 Cb 0.31 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.21 1fxu h PRO 223 CO -0.27 0.53 0.31 0.93 -0.21 0.00 0.00 178.00 179.29 1fxu h GLU 224 N 0.83 0.75 -0.43 1.05 5.08 -1.73 -2.35 114.58 117.78 1fxu h GLU 224 Ca 0.31 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1fxu h GLU 224 Cb 0.11 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1fxu h GLU 224 CO -0.15 0.57 0.24 0.28 -1.00 0.00 0.00 179.01 178.95 1fxu h VAL 225 N 0.73 1.15 0.41 3.13 2.07 -0.81 -0.83 116.25 122.10 1fxu h VAL 225 Ca 0.19 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1fxu h VAL 225 Cb 0.02 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1fxu h VAL 225 CO -0.03 0.16 -0.40 0.40 0.02 0.00 0.00 177.57 177.72 1fxu h ILE 226 N 0.56 0.19 -0.76 4.57 2.04 -1.14 0.33 117.51 123.30 1fxu h ILE 226 Ca 0.15 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.07 1fxu h ILE 226 Cb 0.04 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.27 1fxu h ILE 226 CO -0.03 0.00 0.50 0.58 0.00 0.00 0.00 178.15 179.21 1fxu h VAL 227 N -0.82 1.05 -0.11 1.67 2.07 -1.35 -0.26 116.25 118.51 1fxu h VAL 227 Ca -0.03 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1fxu h VAL 227 Cb 0.73 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1fxu h VAL 227 CO -0.06 0.15 0.02 0.00 0.02 0.00 0.00 177.57 177.71 1fxu h ALA 228 N 1.58 0.14 -0.62 1.67 0.00 -0.38 -2.10 119.26 119.55 1fxu h ALA 228 Ca 0.32 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1fxu h ALA 228 Cb 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1fxu h ALA 228 CO -0.11 -0.23 0.14 0.00 0.00 0.00 0.00 179.25 179.05 1fxu h ARG 229 N -0.04 0.99 -0.98 0.00 2.47 0.14 -1.34 114.38 115.62 1fxu h ARG 229 Ca 0.03 -0.23 0.05 0.00 -1.26 0.00 0.00 59.98 58.58 1fxu h ARG 229 Cb 0.25 -0.13 -0.06 0.00 -1.65 0.00 0.00 29.97 28.38 1fxu h ARG 229 CO 0.00 0.89 0.63 1.25 0.56 0.00 0.00 179.97 183.30 1fxu h HIS 230 N 0.94 1.18 -0.47 3.04 2.76 -0.78 -1.98 115.15 119.85 1fxu h HIS 230 Ca 0.20 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 1fxu h HIS 230 Cb 0.36 -0.39 0.00 0.00 1.55 0.00 0.00 27.41 28.93 1fxu h HIS 230 CO 0.02 0.63 0.00 0.00 -1.30 0.00 0.00 177.93 177.29 1fxu n GLY 232 N 0.65 0.65 3.81 0.00 0.00 -0.74 -4.96 105.19 104.59 1fxu n GLY 232 Ca 0.21 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1fxu n GLY 232 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fxu s LEU 233 N 0.00 4.18 0.31 0.99 1.43 -0.53 -5.01 118.68 120.04 1fxu s LEU 233 Ca 0.00 1.65 -0.27 0.00 -1.03 0.00 0.00 54.13 54.48 1fxu s LEU 233 Cb 0.00 -4.12 -0.10 0.00 0.03 0.00 0.00 46.19 42.00 1fxu s LEU 233 CO 0.00 -0.16 0.96 -0.60 0.23 0.00 0.00 176.35 176.77 1fxu s ARG 234 N -2.51 4.62 -0.03 1.70 3.52 -0.49 -4.38 118.95 121.38 1fxu s ARG 234 Ca 0.53 1.39 0.04 0.00 -0.13 0.00 0.00 55.73 57.56 1fxu s ARG 234 Cb -0.14 -2.90 -0.00 0.00 -1.56 0.00 0.00 34.95 30.34 1fxu s ARG 234 CO 0.19 0.30 -0.13 0.08 -0.81 0.00 0.00 175.30 174.93 1fxu s VAL 235 N -1.51 1.11 -0.01 7.11 1.01 -1.26 -1.00 120.40 125.85 1fxu s VAL 235 Ca 0.48 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1fxu s VAL 235 Cb -0.21 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.22 1fxu s VAL 235 CO 0.26 0.33 -0.05 0.12 0.00 0.00 0.00 175.10 175.76 1fxu s PHE 236 N -0.03 0.55 0.14 5.22 5.36 -0.48 -1.89 117.98 126.85 1fxu s PHE 236 Ca -0.01 -0.11 -0.16 0.00 -0.96 0.00 0.00 56.93 55.70 1fxu s PHE 236 Cb -0.09 -0.40 0.03 0.00 -0.34 0.00 0.00 43.02 42.22 1fxu s PHE 236 CO 0.01 -0.05 0.42 0.20 -1.46 0.00 0.00 175.22 174.33 1fxu s GLY 237 N 0.13 -0.19 0.02 13.12 0.00 -1.26 -0.40 107.32 118.73 1fxu s GLY 237 Ca -0.01 -0.13 -0.20 0.00 0.00 0.00 0.00 44.72 44.38 1fxu s GLY 237 CO -0.00 -0.33 0.44 -0.11 0.00 0.00 0.00 173.10 173.09 1fxu s PHE 238 N -3.83 -0.32 0.00 1.90 -0.12 -0.89 -0.93 117.98 113.80 1fxu s PHE 238 Ca 0.05 0.39 0.02 0.00 -0.05 0.00 0.00 56.93 57.35 1fxu s PHE 238 Cb 0.01 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.60 1fxu s PHE 238 CO -0.10 -0.54 -0.03 -1.12 -0.05 0.00 0.00 175.22 173.38 1fxu s SER 239 N -1.73 4.91 -0.34 1.98 0.01 0.05 -2.25 113.70 116.33 1fxu s SER 239 Ca -0.08 -0.07 -0.13 0.00 1.31 0.00 0.00 55.95 56.98 1fxu s SER 239 Cb -0.02 -1.23 -0.01 0.00 0.21 0.00 0.00 66.02 64.97 1fxu s SER 239 CO 0.01 0.28 0.26 -0.22 0.41 0.00 0.00 173.24 173.98 1fxu s LEU 240 N -1.53 4.55 -0.44 2.44 0.20 0.12 -1.14 118.68 122.88 1fxu s LEU 240 Ca 0.19 -0.43 -0.28 0.00 0.69 0.00 0.00 54.13 54.30 1fxu s LEU 240 Cb -0.11 -2.17 -0.01 0.00 -0.43 0.00 0.00 46.19 43.47 1fxu s LEU 240 CO 0.09 -0.26 1.67 -0.63 -0.29 0.00 0.00 176.35 176.93 1fxu s ILE 241 N 1.76 3.59 -0.83 6.68 -1.09 -0.18 -1.74 121.20 129.39 1fxu s ILE 241 Ca 0.07 0.55 0.25 0.00 -2.23 0.00 0.00 60.65 59.29 1fxu s ILE 241 Cb -0.17 -3.96 0.02 0.00 -1.58 0.00 0.00 42.46 36.77 1fxu s ILE 241 CO 0.11 -0.71 1.36 0.35 -1.23 0.00 0.00 174.94 174.81 1fxu n THR 242 N 7.21 0.14 -3.62 2.92 -2.24 -0.57 -0.97 114.28 117.15 1fxu n THR 242 Ca 0.19 -0.12 -0.04 0.00 -2.27 0.00 0.00 64.05 61.81 1fxu n THR 242 Cb 0.49 0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 1fxu n THR 242 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1fxu s ASN 243 N -3.53 -0.14 -0.13 3.42 2.20 -1.25 -4.82 114.94 110.69 1fxu s ASN 243 Ca 0.09 0.14 -0.26 0.00 -0.94 0.00 0.00 52.86 51.89 1fxu s ASN 243 Cb 0.16 0.11 -0.02 0.00 -2.00 0.00 0.00 41.25 39.50 1fxu s ASN 243 CO 0.71 -0.13 0.85 -0.54 -2.94 0.00 0.00 177.10 175.06 1fxu s LYS 244 N -1.07 4.36 0.32 3.55 1.02 -1.26 -0.03 119.74 126.63 1fxu s LYS 244 Ca 0.06 1.09 -0.27 0.00 0.02 0.00 0.00 55.97 56.87 1fxu s LYS 244 Cb -0.01 -3.54 -0.09 0.00 -0.52 0.00 0.00 37.83 33.67 1fxu s LYS 244 CO -0.05 -0.25 1.03 0.08 -0.92 0.00 0.00 175.35 175.25 1fxu s VAL 245 N 1.83 3.77 -0.07 3.17 1.01 -0.66 -4.89 120.40 124.56 1fxu s VAL 245 Ca 0.41 1.58 -0.30 0.00 0.00 0.00 0.00 61.98 63.67 1fxu s VAL 245 Cb -0.17 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1fxu s VAL 245 CO 0.15 0.23 1.46 -0.63 0.00 0.00 0.00 175.10 176.31 1fxu s ILE 246 N -1.40 3.83 -0.89 2.22 -1.09 -1.26 -4.91 121.20 117.70 1fxu s ILE 246 Ca 0.49 1.07 0.08 0.00 -2.23 0.00 0.00 60.65 60.06 1fxu s ILE 246 Cb -0.26 -3.69 0.11 0.00 -1.58 0.00 0.00 42.46 37.04 1fxu s ILE 246 CO 0.32 -0.07 0.88 0.23 -1.23 0.00 0.00 174.94 175.08 1fxu n MET 247 N 6.47 0.96 -4.37 2.79 2.81 -1.26 -4.63 117.12 119.90 1fxu n MET 247 Ca 0.15 -1.26 -0.28 0.00 -1.81 0.00 0.00 57.70 54.51 1fxu n MET 247 Cb 0.44 -1.16 -0.13 0.00 -0.71 0.00 0.00 33.22 31.65 1fxu n MET 247 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1fxu s ASP 248 N -0.77 3.17 -1.04 7.83 1.47 -1.26 -4.95 116.67 121.13 1fxu s ASP 248 Ca 0.11 -0.75 -0.19 0.00 1.18 0.00 0.00 52.55 52.91 1fxu s ASP 248 Cb 0.07 -0.21 0.11 0.00 -0.34 0.00 0.00 42.92 42.56 1fxu s ASP 248 CO 0.10 0.15 1.32 -0.89 0.68 0.00 0.00 175.17 176.53 1fxu s THR 249 N -1.13 4.53 0.00 2.11 2.01 -1.26 -5.00 115.64 116.90 1fxu s THR 249 Ca 0.13 -1.60 0.00 0.00 0.31 0.00 0.00 61.69 60.53 1fxu s THR 249 Cb -0.10 -4.91 0.00 0.00 0.01 0.00 0.00 72.50 67.50 1fxu s THR 249 CO 0.06 -1.68 0.00 0.61 -0.69 0.00 0.00 174.62 172.92 1fxu n GLY 253 N 5.57 0.00 3.64 4.40 0.00 -1.26 -5.20 105.19 112.35 1fxu n GLY 253 Ca 0.31 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.26 1fxu n GLY 253 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fxu s LYS 254 N 0.00 0.51 0.42 1.61 -2.85 -1.26 -5.07 119.74 113.10 1fxu s LYS 254 Ca 0.00 0.75 -0.26 0.00 -1.00 0.00 0.00 55.97 55.46 1fxu s LYS 254 Cb 0.00 0.17 -0.10 0.00 -2.06 0.00 0.00 37.83 35.84 1fxu s LYS 254 CO 0.00 -0.08 1.27 0.00 0.10 0.00 0.00 175.35 176.64 1fxu n ALA 255 N 3.15 1.29 -3.47 0.59 0.00 -1.26 -5.03 120.51 115.78 1fxu n ALA 255 Ca -0.16 0.27 -0.13 0.00 0.00 0.00 0.00 53.44 53.42 1fxu n ALA 255 Cb 0.57 -2.27 -0.09 0.00 0.00 0.00 0.00 19.45 17.66 1fxu n ALA 255 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1fxu s ASN 256 N -0.52 -0.57 0.30 0.00 2.20 -1.26 -5.00 114.94 110.09 1fxu s ASN 256 Ca 0.61 1.05 0.04 0.00 -0.94 0.00 0.00 52.86 53.62 1fxu s ASN 256 Cb -0.51 1.04 0.66 0.00 -2.00 0.00 0.00 41.25 40.43 1fxu s ASN 256 CO 0.58 -0.19 1.81 -0.74 -2.94 0.00 0.00 177.10 175.62 1fxu h HIS 257 N 5.71 1.10 -0.81 1.54 -0.00 -2.00 -2.07 115.15 118.61 1fxu h HIS 257 Ca -0.29 0.03 0.10 0.00 -0.00 0.00 0.00 60.37 60.21 1fxu h HIS 257 Cb 1.18 -0.34 -0.07 0.00 -0.00 0.00 0.00 27.41 28.18 1fxu h HIS 257 CO 0.35 0.34 0.46 0.93 -0.00 0.00 0.00 177.93 180.01 1fxu h GLU 258 N 0.87 0.75 -0.36 5.26 3.07 -1.99 0.10 114.58 122.28 1fxu h GLU 258 Ca 0.54 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 59.28 1fxu h GLU 258 Cb 0.71 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 1fxu h GLU 258 CO -0.32 0.49 -0.09 1.49 -1.40 0.00 0.00 179.01 179.19 1fxu h GLU 259 N 0.77 0.61 -0.31 2.33 4.81 -1.81 -0.52 114.58 120.45 1fxu h GLU 259 Ca 0.39 -0.17 -0.15 0.00 -0.13 0.00 0.00 59.36 59.30 1fxu h GLU 259 Cb 0.37 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1fxu h GLU 259 CO -0.25 0.69 -0.42 -0.39 -0.73 0.00 0.00 179.01 177.91 1fxu h VAL 260 N 0.56 1.29 -0.44 0.32 -1.51 -0.93 -2.30 116.25 113.23 1fxu h VAL 260 Ca 0.11 -1.60 -0.10 0.00 -1.23 0.00 0.00 66.70 63.87 1fxu h VAL 260 Cb 0.49 1.49 -0.02 0.00 -2.13 0.00 0.00 31.29 31.12 1fxu h VAL 260 CO 0.03 0.52 -0.12 -0.07 -1.23 0.00 0.00 177.57 176.70 1fxu h LEU 261 N 0.63 0.80 -0.49 4.19 3.38 -0.97 -2.41 115.31 120.45 1fxu h LEU 261 Ca 0.05 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1fxu h LEU 261 Cb 0.99 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1fxu h LEU 261 CO 0.09 0.94 0.31 -0.08 0.09 0.00 0.00 178.44 179.79 1fxu h GLU 262 N 0.73 0.61 -0.21 1.13 4.57 -0.91 -1.94 114.58 118.56 1fxu h GLU 262 Ca 0.12 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 1fxu h GLU 262 Cb 0.61 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 1fxu h GLU 262 CO 0.04 0.40 0.09 0.00 -1.18 0.00 0.00 179.01 178.36 1fxu h ALA 263 N 1.19 1.77 -0.43 2.92 0.00 -1.08 -2.20 119.26 121.42 1fxu h ALA 263 Ca 0.19 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 1fxu h ALA 263 Cb -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1fxu h ALA 263 CO -0.06 0.19 -0.30 0.78 0.00 0.00 0.00 179.25 179.87 1fxu h GLY 264 N 0.39 1.05 0.99 0.00 0.00 -0.88 -2.64 103.07 101.98 1fxu h GLY 264 Ca 0.07 -1.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.37 1fxu h GLY 264 CO -0.01 0.91 0.24 0.50 0.00 0.00 0.00 176.54 178.18 1fxu h LYS 265 N 0.81 0.84 -0.23 4.80 1.57 -0.94 -2.31 116.57 121.11 1fxu h LYS 265 Ca 0.09 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1fxu h LYS 265 Cb 0.89 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1fxu h LYS 265 CO 0.08 0.71 -0.01 0.37 -0.57 0.00 0.00 179.45 180.04 1fxu h GLN 266 N 0.77 0.33 -0.02 3.15 5.75 -1.36 -2.66 115.11 121.08 1fxu h GLN 266 Ca 0.19 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 1fxu h GLN 266 Cb 0.18 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.67 1fxu h GLN 266 CO -0.02 0.37 -0.08 0.00 -2.65 0.00 0.00 178.83 176.45 1fxu n ALA 267 N -2.49 2.71 -0.21 3.38 0.00 -1.01 -4.56 120.51 118.33 1fxu n ALA 267 Ca 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 53.44 52.90 1fxu n ALA 267 Cb 0.20 -1.02 0.05 0.00 0.00 0.00 0.00 19.45 18.68 1fxu n ALA 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fxu h ALA 268 N 4.32 0.33 -0.94 0.00 0.00 -1.04 -0.18 119.26 121.75 1fxu h ALA 268 Ca 0.00 0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1fxu h ALA 268 Cb 0.67 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1fxu h ALA 268 CO 0.00 -0.47 0.62 -0.56 0.00 0.00 0.00 179.25 178.84 1fxu h GLN 269 N -0.04 1.24 -0.03 0.00 -0.00 -1.81 -0.87 115.11 113.61 1fxu h GLN 269 Ca 0.30 -0.08 -0.01 0.00 -0.00 0.00 0.00 58.65 58.86 1fxu h GLN 269 Cb 0.49 -0.28 -0.00 0.00 -0.00 0.00 0.00 27.48 27.70 1fxu h GLN 269 CO -0.67 0.82 -0.03 -0.22 -0.00 0.00 0.00 178.83 178.74 1fxu h LYS 270 N 1.28 0.07 -0.53 0.06 3.64 -1.51 -2.71 116.57 116.86 1fxu h LYS 270 Ca 0.34 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.60 1fxu h LYS 270 Cb -0.14 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1fxu h LYS 270 CO -0.07 0.54 -0.03 -0.07 -2.27 0.00 0.00 179.45 177.55 1fxu h LEU 271 N -0.40 0.91 -0.10 5.20 4.07 -1.04 -1.58 115.31 122.37 1fxu h LEU 271 Ca 0.00 -0.26 -0.00 0.00 0.08 0.00 0.00 57.88 57.71 1fxu h LEU 271 Cb 0.53 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 42.02 1fxu h LEU 271 CO 0.01 0.99 0.06 -0.33 -1.08 0.00 0.00 178.44 178.09 1fxu h GLU 272 N 0.85 0.13 -0.52 1.13 5.08 -1.18 0.61 114.58 120.68 1fxu h GLU 272 Ca 0.15 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 1fxu h GLU 272 Cb 0.55 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1fxu h GLU 272 CO 0.03 0.12 -0.15 -0.56 -1.00 0.00 0.00 179.01 177.45 1fxu h GLN 273 N 0.10 1.02 -0.42 2.33 3.07 -1.45 -1.61 115.11 118.16 1fxu h GLN 273 Ca 0.04 -0.40 0.04 0.00 0.09 0.00 0.00 58.65 58.41 1fxu h GLN 273 Cb 0.02 -0.05 -0.04 0.00 0.08 0.00 0.00 27.48 27.49 1fxu h GLN 273 CO -0.01 1.09 0.18 0.35 0.09 0.00 0.00 178.83 180.54 1fxu h PHE 274 N 0.89 0.33 -0.19 0.06 3.57 -1.00 0.17 116.94 120.77 1fxu h PHE 274 Ca 0.13 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.50 1fxu h PHE 274 Cb 0.73 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1fxu h PHE 274 CO 0.05 0.15 -0.49 0.28 -2.23 0.00 0.00 178.31 176.07 1fxu h VAL 275 N 0.37 1.32 0.57 1.41 2.07 -0.77 -1.83 116.25 119.39 1fxu h VAL 275 Ca 0.19 -1.72 -0.03 0.00 0.82 0.00 0.00 66.70 65.96 1fxu h VAL 275 Cb 0.13 1.71 0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1fxu h VAL 275 CO -0.16 0.53 -0.28 0.28 0.02 0.00 0.00 177.57 177.97 1fxu h SER 276 N 0.40 -0.65 -0.17 0.57 0.02 -0.86 -1.76 113.55 111.10 1fxu h SER 276 Ca 0.02 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1fxu h SER 276 Cb 1.01 0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 1fxu h SER 276 CO 0.09 -0.46 -0.00 -0.07 -1.14 0.00 0.00 176.83 175.24 1fxu h LEU 277 N -0.78 -0.08 -1.33 5.07 -0.00 -0.96 -2.21 115.31 115.02 1fxu h LEU 277 Ca -0.08 0.04 0.22 0.00 -0.00 0.00 0.00 57.88 58.06 1fxu h LEU 277 Cb 0.59 0.07 -0.09 0.00 -0.00 0.00 0.00 40.66 41.24 1fxu h LEU 277 CO 0.13 -0.01 0.63 0.25 -0.00 0.00 0.00 178.44 179.43 1fxu h LEU 278 N 0.05 0.52 -1.77 1.67 5.85 -1.25 0.01 115.31 120.39 1fxu h LEU 278 Ca 0.08 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.93 1fxu h LEU 278 Cb 0.10 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1fxu h LEU 278 CO -0.14 0.17 0.28 0.24 -0.34 0.00 0.00 178.44 178.65 1fxu h MET 279 N 0.50 0.27 0.00 1.25 2.86 -0.66 0.15 114.93 119.30 1fxu h MET 279 Ca 0.54 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.16 1fxu h MET 279 Cb 1.21 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.80 1fxu h MET 279 CO -0.27 0.18 0.00 0.00 1.06 0.00 0.00 176.91 177.88 1fxu n ALA 280 N -2.53 2.55 0.17 6.32 0.00 -0.01 -3.33 120.51 123.67 1fxu n ALA 280 Ca 0.05 -0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.43 1fxu n ALA 280 Cb 0.28 -1.26 0.06 0.00 0.00 0.00 0.00 19.45 18.53 1fxu n ALA 280 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1fxu n SER 281 N -0.76 1.99 -4.71 0.00 7.64 0.51 -4.97 113.62 113.32 1fxu n SER 281 Ca 0.12 -1.55 -0.41 0.00 1.01 0.00 0.00 58.87 58.03 1fxu n SER 281 Cb 0.05 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1fxu n SER 281 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1fxu s ILE 282 N -0.77 4.91 0.39 0.44 1.09 -1.21 -5.03 121.20 121.02 1fxu s ILE 282 Ca 0.11 1.87 -0.07 0.00 -1.10 0.00 0.00 60.65 61.47 1fxu s ILE 282 Cb 0.07 -4.23 0.09 0.00 -1.06 0.00 0.00 42.46 37.33 1fxu s ILE 282 CO 0.10 0.17 0.44 -0.81 -0.10 0.00 0.00 174.94 174.74 1fxu n PRO 283 N 4.02 -1.01 -0.60 2.79 -0.04 -1.26 -5.11 135.00 133.79 1fxu n PRO 283 Ca 0.04 -0.69 0.00 0.00 -0.04 0.00 0.00 63.50 62.81 1fxu n PRO 283 Cb 0.51 -0.53 0.00 0.00 -0.04 0.00 0.00 33.50 33.44 1fxu n PRO 283 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74