#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fxr n LEU 2 N 0.00 1.24 -0.35 -0.89 4.32 -1.26 -4.82 117.00 115.24 3fxr n LEU 2 Ca 0.00 1.15 0.05 0.00 -0.02 0.00 0.00 56.01 57.19 3fxr n LEU 2 Cb 0.00 -0.97 0.20 0.00 -1.62 0.00 0.00 43.42 41.03 3fxr n LEU 2 CO 0.00 -1.00 1.22 0.50 -1.22 0.00 0.00 177.39 176.89 3fxr h LYS 3 N 5.00 0.97 -0.68 3.23 1.63 -2.02 -1.17 116.57 123.52 3fxr h LYS 3 Ca -0.46 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.27 3fxr h LYS 3 Cb 1.37 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 32.75 3fxr h LYS 3 CO 0.89 0.64 0.39 -0.07 -3.45 0.00 0.00 179.45 177.84 3fxr h LEU 4 N 1.00 0.82 -0.73 5.20 3.38 -1.99 0.24 115.31 123.23 3fxr h LEU 4 Ca 0.45 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 58.23 3fxr h LEU 4 Cb 0.36 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3fxr h LEU 4 CO -0.23 0.65 -0.49 0.06 0.09 0.00 0.00 178.44 178.52 3fxr h GLN 5 N 0.94 0.35 -0.03 1.13 3.07 -1.60 -0.36 115.11 118.61 3fxr h GLN 5 Ca 0.24 -0.20 0.01 0.00 0.09 0.00 0.00 58.65 58.79 3fxr h GLN 5 Cb -0.00 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.56 3fxr h GLN 5 CO -0.04 0.77 -0.02 1.15 0.09 0.00 0.00 178.83 180.77 3fxr h THR 6 N 0.28 0.94 -0.22 1.86 2.02 -0.81 0.30 112.91 117.28 3fxr h THR 6 Ca 0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 3fxr h THR 6 Cb 0.97 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 3fxr h THR 6 CO 0.08 0.00 0.05 -0.07 0.37 0.00 0.00 175.52 175.95 3fxr h LEU 7 N -0.02 0.34 -0.90 2.58 3.38 -0.80 -0.98 115.31 118.91 3fxr h LEU 7 Ca 0.02 -0.23 0.22 0.00 0.09 0.00 0.00 57.88 57.98 3fxr h LEU 7 Cb 0.05 -0.09 -0.12 0.00 0.09 0.00 0.00 40.66 40.59 3fxr h LEU 7 CO -0.05 0.48 0.40 -0.61 0.09 0.00 0.00 178.44 178.76 3fxr h GLN 8 N 0.18 0.40 -0.48 1.13 5.75 -1.06 -0.88 115.11 120.14 3fxr h GLN 8 Ca 0.07 -0.02 -0.10 0.00 -0.15 0.00 0.00 58.65 58.44 3fxr h GLN 8 Cb 0.28 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 3fxr h GLN 8 CO 0.00 0.26 -0.10 0.00 -2.65 0.00 0.00 178.83 176.34 3fxr h ALA 9 N 1.71 0.66 -0.86 3.38 0.00 0.08 -1.97 119.26 122.26 3fxr h ALA 9 Ca 0.56 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3fxr h ALA 9 Cb 1.06 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 3fxr h ALA 9 CO -0.52 0.56 0.45 -0.07 0.00 0.00 0.00 179.25 179.66 3fxr h LEU 10 N 0.77 1.09 -0.41 0.00 3.38 -0.56 0.59 115.31 120.17 3fxr h LEU 10 Ca 0.12 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.02 3fxr h LEU 10 Cb 0.65 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3fxr h LEU 10 CO 0.04 0.89 0.17 0.40 0.09 0.00 0.00 178.44 180.04 3fxr h ILE 11 N 1.20 0.92 -0.74 1.22 2.04 -1.05 -0.53 117.51 120.58 3fxr h ILE 11 Ca 0.30 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 66.00 3fxr h ILE 11 Cb 0.06 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 3fxr h ILE 11 CO -0.04 0.07 0.31 0.00 0.00 0.00 0.00 178.15 178.48 3fxr h ILE 13 N 1.06 1.24 -1.00 0.00 2.04 0.75 -0.60 117.51 121.01 3fxr h ILE 13 Ca 0.25 -0.52 0.05 0.00 1.00 0.00 0.00 64.86 65.64 3fxr h ILE 13 Cb 0.19 -0.02 -0.06 0.00 -0.74 0.00 0.00 36.82 36.19 3fxr h ILE 13 CO -0.02 0.25 0.65 -0.08 0.00 0.00 0.00 178.15 178.95 3fxr h GLU 14 N 1.23 1.18 0.19 2.37 4.81 -0.98 0.45 114.58 123.84 3fxr h GLU 14 Ca 0.32 -0.07 -0.26 0.00 -0.13 0.00 0.00 59.36 59.22 3fxr h GLU 14 Cb -0.06 -0.27 0.03 0.00 0.63 0.00 0.00 28.75 29.08 3fxr h GLU 14 CO -0.06 0.78 -1.17 0.93 -0.73 0.00 0.00 179.01 178.76 3fxr h GLU 15 N 1.22 0.41 -0.01 1.92 5.08 -1.29 -3.38 114.58 118.54 3fxr h GLU 15 Ca 0.41 -0.70 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3fxr h GLU 15 Cb 0.08 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3fxr h GLU 15 CO -0.15 1.34 -0.44 1.33 -1.00 0.00 0.00 179.01 180.09 3fxr n VAL 16 N -3.92 0.00 -1.15 3.13 0.24 -0.28 -5.01 118.33 111.34 3fxr n VAL 16 Ca -0.16 -0.28 -0.05 0.00 -2.04 0.00 0.00 64.34 61.80 3fxr n VAL 16 Cb 0.96 1.17 -0.02 0.00 -1.47 0.00 0.00 33.84 34.48 3fxr n VAL 16 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fxr n GLY 17 N 1.24 0.78 3.41 7.63 0.00 0.15 -5.00 105.19 113.40 3fxr n GLY 17 Ca 0.06 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 3fxr n GLY 17 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fxr s SER 18 N -2.82 -0.68 0.10 1.61 0.15 -1.25 -1.92 113.70 108.89 3fxr s SER 18 Ca 0.00 1.14 -0.24 0.00 0.70 0.00 0.00 55.95 57.55 3fxr s SER 18 Cb 0.00 1.05 -0.13 0.00 -1.71 0.00 0.00 66.02 65.24 3fxr s SER 18 CO 0.00 -0.21 1.72 0.25 1.20 0.00 0.00 173.24 176.19 3fxr h LEU 19 N 7.14 -0.16 -0.14 3.45 6.46 -1.94 -1.08 115.31 129.05 3fxr h LEU 19 Ca -0.33 0.02 0.05 0.00 -0.12 0.00 0.00 57.88 57.50 3fxr h LEU 19 Cb 1.20 0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 41.12 3fxr h LEU 19 CO 0.23 -0.09 -0.30 -0.09 -0.62 0.00 0.00 178.44 177.57 3fxr h ARG 20 N -0.12 -0.36 -0.48 1.25 2.43 -1.96 -1.21 114.38 113.93 3fxr h ARG 20 Ca 0.01 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3fxr h ARG 20 Cb 0.13 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3fxr h ARG 20 CO -0.03 -0.24 0.23 0.00 -1.51 0.00 0.00 179.97 178.42 3fxr h ALA 21 N 0.49 1.50 -0.19 2.80 0.00 -1.94 -2.73 119.26 119.19 3fxr h ALA 21 Ca 0.10 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3fxr h ALA 21 Cb 0.52 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3fxr h ALA 21 CO -0.34 0.40 -0.30 0.00 0.00 0.00 0.00 179.25 179.00 3fxr h ALA 22 N 1.58 0.30 -0.98 0.00 0.00 -0.68 -2.43 119.26 117.05 3fxr h ALA 22 Ca 0.17 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.72 3fxr h ALA 22 Cb 0.07 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 3fxr h ALA 22 CO -0.02 0.32 0.64 0.00 0.00 0.00 0.00 179.25 180.19 3fxr h ALA 23 N 0.61 1.39 -0.11 0.00 0.00 -1.06 -1.54 119.26 118.55 3fxr h ALA 23 Ca 0.02 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3fxr h ALA 23 Cb 0.89 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3fxr h ALA 23 CO 0.07 0.49 -0.53 0.37 0.00 0.00 0.00 179.25 179.65 3fxr h GLN 24 N 1.20 0.30 -0.26 0.00 4.15 -1.48 0.59 115.11 119.61 3fxr h GLN 24 Ca 0.40 -0.18 -0.19 0.00 0.77 0.00 0.00 58.65 59.45 3fxr h GLN 24 Cb 0.08 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.78 3fxr h GLN 24 CO -0.14 0.76 -0.58 1.25 -1.93 0.00 0.00 178.83 178.19 3fxr h LEU 25 N 0.24 0.93 -2.51 -2.39 6.46 -0.88 -3.14 115.31 114.02 3fxr h LEU 25 Ca 0.01 -0.51 0.00 0.00 -0.12 0.00 0.00 57.88 57.25 3fxr h LEU 25 Cb 1.01 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.67 3fxr h LEU 25 CO 0.09 1.30 0.00 0.18 -0.62 0.00 0.00 178.44 179.39 3fxr n LEU 26 N -3.99 3.68 -3.77 2.25 4.77 -0.64 -4.95 117.00 114.35 3fxr n LEU 26 Ca -0.05 -1.84 -0.23 0.00 -0.03 0.00 0.00 56.01 53.86 3fxr n LEU 26 Cb 0.64 -0.46 0.02 0.00 -2.33 0.00 0.00 43.42 41.29 3fxr n LEU 26 CO 0.50 0.87 -0.07 1.41 -1.33 0.00 0.00 177.39 178.77 3fxr n HIS 27 N 1.39 -1.91 -4.30 -1.77 8.25 -0.84 -5.02 115.22 111.01 3fxr n HIS 27 Ca 0.22 0.83 -0.27 0.00 -0.26 0.00 0.00 57.72 58.25 3fxr n HIS 27 Cb 0.60 -4.23 -0.10 0.00 1.12 0.00 0.00 29.99 27.38 3fxr n HIS 27 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3fxr s LEU 28 N -6.80 2.90 0.13 2.41 1.43 0.20 -5.02 118.68 113.93 3fxr s LEU 28 Ca 0.09 -0.59 -0.31 0.00 -1.03 0.00 0.00 54.13 52.28 3fxr s LEU 28 Cb -0.04 -1.61 -0.08 0.00 0.03 0.00 0.00 46.19 44.49 3fxr s LEU 28 CO 0.83 0.12 1.35 -0.55 0.23 0.00 0.00 176.35 178.32 3fxr s SER 29 N -2.72 6.87 0.05 2.29 0.15 -1.26 -4.25 113.70 114.83 3fxr s SER 29 Ca 0.24 2.31 -0.31 0.00 0.70 0.00 0.00 55.95 58.89 3fxr s SER 29 Cb -0.09 -2.59 -0.18 0.00 -1.71 0.00 0.00 66.02 61.45 3fxr s SER 29 CO 0.14 -0.61 1.51 1.56 1.20 0.00 0.00 173.24 177.05 3fxr h GLN 30 N 6.47 -0.78 -0.43 5.44 4.20 -1.94 0.53 115.11 128.59 3fxr h GLN 30 Ca -0.43 0.05 0.12 0.00 0.06 0.00 0.00 58.65 58.45 3fxr h GLN 30 Cb 1.21 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 29.15 3fxr h GLN 30 CO 0.84 -0.49 0.31 -1.00 -0.67 0.00 0.00 178.83 177.82 3fxr h PRO 31 N -0.90 0.05 0.03 1.46 0.13 -1.99 -0.05 132.00 130.73 3fxr h PRO 31 Ca -0.08 -0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.88 3fxr h PRO 31 Cb 0.65 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.78 3fxr h PRO 31 CO 0.14 0.03 -0.67 0.00 -0.23 0.00 0.00 178.00 177.26 3fxr h ALA 32 N 1.78 0.04 -0.41 -0.56 0.00 -1.89 -2.68 119.26 115.54 3fxr h ALA 32 Ca 0.20 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3fxr h ALA 32 Cb 0.75 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3fxr h ALA 32 CO -0.01 0.38 0.17 1.25 0.00 0.00 0.00 179.25 181.03 3fxr h LEU 33 N -0.12 0.57 -0.52 0.00 5.85 -0.50 -0.02 115.31 120.55 3fxr h LEU 33 Ca -0.09 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.50 3fxr h LEU 33 Cb 1.40 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.25 3fxr h LEU 33 CO 0.13 0.57 0.30 -1.28 -0.34 0.00 0.00 178.44 177.83 3fxr h SER 34 N 0.52 0.47 -0.28 1.25 0.87 -1.13 -0.27 113.55 114.98 3fxr h SER 34 Ca 0.14 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.63 3fxr h SER 34 Cb 0.18 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3fxr h SER 34 CO -0.01 0.33 -0.10 0.00 -0.53 0.00 0.00 176.83 176.52 3fxr h ALA 35 N 1.25 1.09 0.02 6.23 0.00 -1.27 -1.94 119.26 124.65 3fxr h ALA 35 Ca 0.22 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3fxr h ALA 35 Cb 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3fxr h ALA 35 CO -0.11 0.56 -0.01 0.00 0.00 0.00 0.00 179.25 179.69 3fxr h ALA 36 N 1.26 -0.03 -0.31 0.00 0.00 -0.37 0.37 119.26 120.18 3fxr h ALA 36 Ca 0.11 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3fxr h ALA 36 Cb 0.54 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3fxr h ALA 36 CO 0.03 -0.41 0.13 0.82 0.00 0.00 0.00 179.25 179.82 3fxr h ILE 37 N -0.24 0.95 -0.31 0.00 2.04 -1.07 0.38 117.51 119.26 3fxr h ILE 37 Ca -0.00 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.82 3fxr h ILE 37 Cb 0.23 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 3fxr h ILE 37 CO 0.01 0.05 -0.04 -0.61 0.00 0.00 0.00 178.15 177.56 3fxr h GLN 38 N 0.28 0.04 -0.44 2.37 5.75 -1.31 0.14 115.11 121.95 3fxr h GLN 38 Ca 0.13 -0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.66 3fxr h GLN 38 Cb 0.08 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.58 3fxr h GLN 38 CO -0.12 0.03 0.23 0.37 -2.65 0.00 0.00 178.83 176.69 3fxr h GLN 39 N 0.04 0.45 -0.42 1.69 4.15 -0.35 -1.10 115.11 119.57 3fxr h GLN 39 Ca 0.15 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.55 3fxr h GLN 39 Cb 0.22 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 3fxr h GLN 39 CO -0.29 0.30 0.27 1.25 -1.93 0.00 0.00 178.83 178.42 3fxr h LEU 40 N 0.46 0.46 -1.10 -2.39 5.85 -0.44 -1.84 115.31 116.31 3fxr h LEU 40 Ca 0.19 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.96 3fxr h LEU 40 Cb 0.07 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 3fxr h LEU 40 CO -0.12 0.33 0.61 -0.33 -0.34 0.00 0.00 178.44 178.59 3fxr h GLU 41 N 0.55 1.05 -0.41 1.25 5.08 -0.26 0.76 114.58 122.59 3fxr h GLU 41 Ca 0.16 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 3fxr h GLU 41 Cb -0.04 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 28.96 3fxr h GLU 41 CO -0.05 0.69 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.18 3fxr h ASP 42 N 1.08 0.75 -0.59 1.42 3.32 -0.71 0.64 116.42 122.33 3fxr h ASP 42 Ca 0.41 -0.33 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 3fxr h ASP 42 Cb 0.19 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3fxr h ASP 42 CO -0.16 0.90 0.23 -0.33 -1.72 0.00 0.00 179.24 178.16 3fxr h GLU 43 N 0.58 0.93 0.00 3.56 5.08 -1.00 -2.86 114.58 120.87 3fxr h GLU 43 Ca 0.11 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 3fxr h GLU 43 Cb 0.53 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3fxr h GLU 43 CO 0.03 0.78 -0.26 -0.07 -1.00 0.00 0.00 179.01 178.49 3fxr h LEU 44 N 0.91 0.00 2.07 1.33 3.38 -0.49 -3.47 115.31 119.04 3fxr h LEU 44 Ca 0.21 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.88 3fxr h LEU 44 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3fxr h LEU 44 CO -0.01 0.26 -0.39 0.29 0.09 0.00 0.00 178.44 178.68 3fxr n LYS 45 N -3.17 -1.28 -3.57 1.13 5.02 0.22 -5.02 118.16 111.49 3fxr n LYS 45 Ca 0.03 0.72 -0.15 0.00 -2.02 0.00 0.00 58.31 56.89 3fxr n LYS 45 Cb 0.63 -5.05 -0.06 0.00 -0.02 0.00 0.00 35.03 30.53 3fxr n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fxr s ALA 46 N -2.75 -1.43 0.25 7.82 0.00 -0.90 -5.03 121.76 119.71 3fxr s ALA 46 Ca 0.01 0.80 -0.30 0.00 0.00 0.00 0.00 51.96 52.48 3fxr s ALA 46 Cb -0.00 0.25 -0.09 0.00 0.00 0.00 0.00 23.12 23.28 3fxr s ALA 46 CO 0.01 -0.45 0.98 -2.14 0.00 0.00 0.00 175.76 174.16 3fxr s PRO 47 N -1.98 4.79 0.13 0.00 0.02 -1.26 -4.53 135.00 132.16 3fxr s PRO 47 Ca -0.08 1.57 0.21 0.00 0.02 0.00 0.00 61.00 62.72 3fxr s PRO 47 Cb -0.01 -3.24 -0.08 0.00 0.02 0.00 0.00 34.50 31.19 3fxr s PRO 47 CO 0.02 0.43 0.89 1.28 -0.33 0.00 0.00 177.00 179.30 3fxr n LEU 48 N 1.37 0.74 -4.14 -5.54 4.77 -1.26 -4.26 117.00 108.68 3fxr n LEU 48 Ca -0.02 0.30 -0.26 0.00 -0.03 0.00 0.00 56.01 56.00 3fxr n LEU 48 Cb 0.47 -0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.39 3fxr n LEU 48 CO 0.51 -0.06 -0.51 -0.76 -1.33 0.00 0.00 177.39 175.24 3fxr s LEU 49 N -5.39 1.92 -0.03 2.23 1.43 -1.26 -1.27 118.68 116.32 3fxr s LEU 49 Ca -0.02 -0.36 0.06 0.00 -1.03 0.00 0.00 54.13 52.77 3fxr s LEU 49 Cb 0.10 -1.00 -0.02 0.00 0.03 0.00 0.00 46.19 45.29 3fxr s LEU 49 CO 0.81 0.15 -0.20 0.54 0.23 0.00 0.00 176.35 177.88 3fxr s VAL 50 N 0.05 2.55 0.35 -1.59 0.11 0.26 -4.82 120.40 117.32 3fxr s VAL 50 Ca -0.04 -0.94 -0.26 0.00 -2.93 0.00 0.00 61.98 57.81 3fxr s VAL 50 Cb -0.12 -1.95 -0.09 0.00 -1.53 0.00 0.00 36.38 32.69 3fxr s VAL 50 CO 0.02 0.57 1.03 -0.60 -3.33 0.00 0.00 175.10 172.79 3fxr s ARG 51 N -0.71 4.40 0.11 1.54 3.52 -1.26 -0.77 118.95 125.78 3fxr s ARG 51 Ca 0.11 1.52 0.01 0.00 -0.13 0.00 0.00 55.73 57.23 3fxr s ARG 51 Cb -0.10 -2.76 -0.00 0.00 -1.56 0.00 0.00 34.95 30.52 3fxr s ARG 51 CO -0.00 0.07 0.03 -2.37 -0.81 0.00 0.00 175.30 172.22 3fxr n THR 52 N 0.40 0.00 -0.15 4.11 5.66 0.15 -4.88 114.28 119.57 3fxr n THR 52 Ca 0.03 -0.62 -0.10 0.00 -3.05 0.00 0.00 64.05 60.30 3fxr n THR 52 Cb 0.49 0.20 -0.01 0.00 -1.55 0.00 0.00 70.33 69.46 3fxr n THR 52 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 3fxr h LYS 53 N 0.00 0.80 0.27 1.09 -0.00 -2.01 -3.34 116.57 113.38 3fxr h LYS 53 Ca -0.09 -0.27 -0.01 0.00 -0.00 0.00 0.00 60.65 60.28 3fxr h LYS 53 Cb 0.32 -0.07 0.00 0.00 -0.00 0.00 0.00 32.23 32.49 3fxr h LYS 53 CO 0.14 0.88 -0.13 0.00 -0.00 0.00 0.00 179.45 180.34 3fxr h ARG 54 N 0.64 -0.35 0.00 0.07 -0.00 -1.97 -3.50 114.38 109.28 3fxr h ARG 54 Ca 0.12 0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.63 3fxr h ARG 54 Cb 0.53 0.08 0.00 0.00 0.00 0.00 0.00 29.97 30.58 3fxr h ARG 54 CO 0.03 -0.23 0.00 0.41 0.00 0.00 0.00 179.97 180.18 3fxr n GLY 55 N 0.56 2.64 3.33 0.04 0.00 -1.25 -4.99 105.19 105.51 3fxr n GLY 55 Ca -0.04 0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 3fxr n GLY 55 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fxr s VAL 56 N 2.12 1.77 0.18 1.61 -7.23 -0.81 0.34 120.40 118.39 3fxr s VAL 56 Ca 0.00 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.25 3fxr s VAL 56 Cb 0.00 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 3fxr s VAL 56 CO 0.00 -0.41 -0.16 -0.44 -0.31 0.00 0.00 175.10 173.78 3fxr s SER 57 N -2.86 2.56 0.30 4.85 0.01 0.05 -4.59 113.70 114.03 3fxr s SER 57 Ca 0.17 -0.94 -0.29 0.00 1.31 0.00 0.00 55.95 56.21 3fxr s SER 57 Cb -0.04 -0.14 -0.10 0.00 0.21 0.00 0.00 66.02 65.95 3fxr s SER 57 CO 0.07 -0.11 1.43 -0.76 0.41 0.00 0.00 173.24 174.27 3fxr s LEU 58 N -2.97 4.38 1.13 2.44 1.43 -1.26 -0.57 118.68 123.26 3fxr s LEU 58 Ca 0.18 2.79 -0.18 0.00 -1.03 0.00 0.00 54.13 55.88 3fxr s LEU 58 Cb -0.03 -3.64 0.26 0.00 0.03 0.00 0.00 46.19 42.81 3fxr s LEU 58 CO 0.06 -0.71 1.19 0.42 0.23 0.00 0.00 176.35 177.54 3fxr s THR 59 N -0.57 1.73 0.26 5.49 -4.23 -0.39 -4.74 115.64 113.17 3fxr s THR 59 Ca 0.55 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 61.04 3fxr s THR 59 Cb -0.43 -2.67 0.24 0.00 1.34 0.00 0.00 72.50 70.98 3fxr s THR 59 CO 0.51 0.00 1.83 0.77 -0.54 0.00 0.00 174.62 177.18 3fxr h SER 60 N -2.29 0.79 0.27 3.99 4.64 -1.91 0.31 113.55 119.36 3fxr h SER 60 Ca -0.44 0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 60.80 3fxr h SER 60 Cb 1.27 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 3fxr h SER 60 CO 0.34 0.45 -0.48 -0.26 -0.87 0.00 0.00 176.83 176.01 3fxr h PHE 61 N 0.89 0.29 -0.55 4.77 0.04 -1.92 -2.44 116.94 118.02 3fxr h PHE 61 Ca 0.43 -0.09 -0.07 0.00 2.80 0.00 0.00 57.97 61.04 3fxr h PHE 61 Cb 0.36 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.43 3fxr h PHE 61 CO -0.04 0.68 0.07 0.78 -0.60 0.00 0.00 178.31 179.20 3fxr h GLY 62 N 1.31 0.99 1.29 -1.45 0.00 -1.46 0.08 103.07 103.84 3fxr h GLY 62 Ca 0.01 -0.67 -0.12 0.00 0.00 0.00 0.00 47.33 46.55 3fxr h GLY 62 CO 0.07 0.62 -0.22 1.46 0.00 0.00 0.00 176.54 178.47 3fxr h GLN 63 N 0.81 0.81 -0.32 4.80 4.20 -0.81 -0.80 115.11 123.80 3fxr h GLN 63 Ca 0.16 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.51 3fxr h GLN 63 Cb 0.44 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 3fxr h GLN 63 CO 0.01 0.96 0.07 0.00 -0.67 0.00 0.00 178.83 179.20 3fxr h ALA 64 N 1.04 0.42 -0.32 3.87 0.00 -1.23 -3.22 119.26 119.82 3fxr h ALA 64 Ca 0.10 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3fxr h ALA 64 Cb 0.75 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3fxr h ALA 64 CO 0.06 0.10 -0.27 0.35 0.00 0.00 0.00 179.25 179.48 3fxr h PHE 65 N 0.36 0.74 -0.37 0.00 3.57 -0.81 -3.22 116.94 117.20 3fxr h PHE 65 Ca 0.10 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 3fxr h PHE 65 Cb 0.31 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 3fxr h PHE 65 CO 0.02 0.86 0.17 1.98 -2.23 0.00 0.00 178.31 179.11 3fxr h MET 66 N 0.56 0.52 -0.47 1.11 4.05 -1.15 -0.39 114.93 119.16 3fxr h MET 66 Ca 0.07 -0.06 0.02 0.00 -0.28 0.00 0.00 59.70 59.46 3fxr h MET 66 Cb 0.76 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.42 3fxr h MET 66 CO 0.06 0.41 0.27 0.87 0.23 0.00 0.00 176.91 178.75 3fxr h LYS 67 N 0.52 0.53 -0.14 0.39 1.57 -1.62 0.50 116.57 118.32 3fxr h LYS 67 Ca 0.13 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3fxr h LYS 67 Cb 0.07 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3fxr h LYS 67 CO -0.02 0.35 0.04 0.45 -0.57 0.00 0.00 179.45 179.71 3fxr h HIS 68 N 0.54 0.22 -0.68 -1.35 3.86 -1.47 -2.56 115.15 113.71 3fxr h HIS 68 Ca 0.19 -0.02 0.10 0.00 -1.16 0.00 0.00 60.37 59.47 3fxr h HIS 68 Cb 0.03 -0.06 -0.07 0.00 1.06 0.00 0.00 27.41 28.36 3fxr h HIS 68 CO -0.07 0.34 0.31 0.00 0.86 0.00 0.00 177.93 179.36 3fxr h ALA 69 N 0.86 0.92 -0.75 2.45 0.00 -0.63 -0.35 119.26 121.77 3fxr h ALA 69 Ca 0.04 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3fxr h ALA 69 Cb 0.22 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3fxr h ALA 69 CO -0.00 -0.11 0.41 0.00 0.00 0.00 0.00 179.25 179.55 3fxr h ARG 70 N 0.52 1.04 -0.36 0.00 3.08 0.09 -1.17 114.38 117.58 3fxr h ARG 70 Ca 0.34 -0.12 -0.12 0.00 0.07 0.00 0.00 59.98 60.16 3fxr h ARG 70 Cb 0.40 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3fxr h ARG 70 CO -0.29 0.77 -0.25 -0.07 -1.07 0.00 0.00 179.97 179.05 3fxr h LEU 71 N 1.03 0.74 -0.55 3.04 3.38 -0.90 -1.95 115.31 120.10 3fxr h LEU 71 Ca 0.26 -0.28 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 3fxr h LEU 71 Cb 0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3fxr h LEU 71 CO -0.04 0.97 -0.31 0.40 0.09 0.00 0.00 178.44 179.54 3fxr h ILE 72 N 0.63 1.28 -0.28 1.22 2.04 -0.78 0.42 117.51 122.05 3fxr h ILE 72 Ca 0.08 -1.47 -0.07 0.00 1.00 0.00 0.00 64.86 64.41 3fxr h ILE 72 Cb 0.76 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 3fxr h ILE 72 CO 0.06 0.49 -0.10 0.58 0.00 0.00 0.00 178.15 179.18 3fxr h VAL 73 N 0.70 1.29 -0.47 1.67 2.07 -1.15 -1.98 116.25 118.38 3fxr h VAL 73 Ca 0.08 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 3fxr h VAL 73 Cb 0.86 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 3fxr h VAL 73 CO 0.08 0.36 0.21 0.74 0.02 0.00 0.00 177.57 178.98 3fxr h THR 74 N 0.30 1.19 -0.59 2.57 2.02 -1.27 -2.17 112.91 114.97 3fxr h THR 74 Ca 0.07 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 3fxr h THR 74 Cb 0.59 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 3fxr h THR 74 CO 0.03 0.22 0.32 -0.08 0.37 0.00 0.00 175.52 176.39 3fxr h GLU 75 N 0.61 0.83 -0.64 6.66 4.57 -0.87 -0.25 114.58 125.49 3fxr h GLU 75 Ca 0.16 -0.10 0.06 0.00 -1.18 0.00 0.00 59.36 58.30 3fxr h GLU 75 Cb 0.15 -0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 28.52 3fxr h GLU 75 CO -0.02 0.63 0.34 0.77 -1.18 0.00 0.00 179.01 179.55 3fxr h SER 76 N 0.80 0.49 -0.13 1.04 0.02 -1.20 0.13 113.55 114.70 3fxr h SER 76 Ca 0.21 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 3fxr h SER 76 Cb 0.05 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3fxr h SER 76 CO -0.03 0.31 0.05 0.03 -1.14 0.00 0.00 176.83 176.05 3fxr h ARG 77 N 0.63 0.20 -0.56 3.45 3.08 -0.79 -2.02 114.38 118.36 3fxr h ARG 77 Ca 0.29 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 3fxr h ARG 77 Cb 0.21 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 3fxr h ARG 77 CO -0.20 0.30 0.35 0.00 -1.07 0.00 0.00 179.97 179.35 3fxr h ARG 78 N 0.05 0.75 -0.18 0.04 3.08 -0.54 -0.66 114.38 116.92 3fxr h ARG 78 Ca 0.04 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.08 3fxr h ARG 78 Cb 0.18 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 3fxr h ARG 78 CO -0.00 0.53 -0.10 0.00 -1.07 0.00 0.00 179.97 179.33 3fxr h ALA 79 N 1.18 0.05 -0.27 0.04 0.00 -0.70 0.35 119.26 119.90 3fxr h ALA 79 Ca 0.20 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 3fxr h ALA 79 Cb -0.04 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3fxr h ALA 79 CO -0.04 -0.53 -0.02 0.37 0.00 0.00 0.00 179.25 179.03 3fxr h GLN 80 N -0.08 0.42 -0.16 0.00 4.15 -0.94 -1.45 115.11 117.04 3fxr h GLN 80 Ca 0.10 -0.08 -0.12 0.00 0.77 0.00 0.00 58.65 59.32 3fxr h GLN 80 Cb 0.23 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.86 3fxr h GLN 80 CO -0.23 0.46 -0.35 0.93 -1.93 0.00 0.00 178.83 177.71 3fxr h GLU 81 N 0.40 0.52 0.33 1.69 5.08 -0.35 -0.43 114.58 121.81 3fxr h GLU 81 Ca 0.09 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 3fxr h GLU 81 Cb 0.30 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3fxr h GLU 81 CO 0.01 0.96 -0.25 1.49 -1.00 0.00 0.00 179.01 180.22 3fxr h GLU 82 N 0.16 -0.55 -0.24 2.33 4.81 0.03 -2.28 114.58 118.84 3fxr h GLU 82 Ca 0.00 0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 3fxr h GLU 82 Cb 0.95 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 3fxr h GLU 82 CO 0.08 -0.37 -0.20 0.82 -0.73 0.00 0.00 179.01 178.60 3fxr h ILE 83 N -0.57 1.25 -0.72 2.32 5.03 -1.34 -1.54 117.51 121.93 3fxr h ILE 83 Ca -0.03 -1.14 0.03 0.00 -0.12 0.00 0.00 64.86 63.60 3fxr h ILE 83 Cb 0.50 1.29 -0.04 0.00 -3.03 0.00 0.00 36.82 35.54 3fxr h ILE 83 CO -0.00 0.36 0.48 1.23 -0.68 0.00 0.00 178.15 179.54 3fxr h GLY 84 N 0.97 1.01 0.44 5.37 0.00 -0.91 0.31 103.07 110.25 3fxr h GLY 84 Ca 0.06 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3fxr h GLY 84 CO 0.04 0.32 -0.15 1.46 0.00 0.00 0.00 176.54 178.21 3fxr h GLN 85 N 0.91 -0.41 -0.30 4.80 1.08 -0.81 -0.04 115.11 120.34 3fxr h GLN 85 Ca 0.28 0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.58 3fxr h GLN 85 Cb 0.00 0.09 -0.08 0.00 -0.05 0.00 0.00 27.48 27.45 3fxr h GLN 85 CO -0.07 -0.11 -0.22 -0.07 -0.95 0.00 0.00 178.83 177.41 3fxr h LEU 86 N -0.99 -0.72 -1.01 1.46 3.38 -1.15 0.17 115.31 116.45 3fxr h LEU 86 Ca -0.04 0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3fxr h LEU 86 Cb 0.49 0.36 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 3fxr h LEU 86 CO 0.07 -0.25 0.17 -0.09 0.09 0.00 0.00 178.44 178.42 3fxr h ARG 87 N -0.19 0.88 -0.87 1.13 2.43 -0.50 -1.11 114.38 116.14 3fxr h ARG 87 Ca 0.16 -0.17 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3fxr h ARG 87 Cb 0.44 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 3fxr h ARG 87 CO -0.42 0.77 0.57 0.78 -1.51 0.00 0.00 179.97 180.16 3fxr h GLY 88 N 0.99 1.23 1.09 2.80 0.00 -0.09 0.32 103.07 109.41 3fxr h GLY 88 Ca 0.19 -0.47 -0.13 0.00 0.00 0.00 0.00 47.33 46.93 3fxr h GLY 88 CO -0.01 0.46 -0.22 -0.09 0.00 0.00 0.00 176.54 176.68 3fxr h ARG 89 N 1.18 0.96 0.54 4.80 2.43 -0.35 -1.88 114.38 122.05 3fxr h ARG 89 Ca 0.32 -0.42 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 3fxr h ARG 89 Cb -0.13 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.40 3fxr h ARG 89 CO -0.07 1.08 -0.26 2.35 -1.51 0.00 0.00 179.97 181.56 3fxr h TRP 90 N 0.80 -0.67 0.00 2.20 7.01 -0.64 -3.21 115.95 121.43 3fxr h TRP 90 Ca 0.10 -0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.01 3fxr h TRP 90 Cb 0.79 0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 28.07 3fxr h TRP 90 CO 0.05 -0.37 -0.35 1.49 -2.79 0.00 0.00 178.44 176.47 3fxr h GLU 91 N -0.84 0.00 -0.07 2.65 4.57 -0.45 -3.12 114.58 117.32 3fxr h GLU 91 Ca -0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 3fxr h GLU 91 Cb 0.60 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 3fxr h GLU 91 CO 0.12 0.35 0.00 0.41 -1.18 0.00 0.00 179.01 178.71 3fxr n GLY 92 N -0.37 -0.65 2.84 1.92 0.00 -0.71 -4.74 105.19 103.48 3fxr n GLY 92 Ca -0.02 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 3fxr n GLY 92 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fxr s HIS 93 N -1.90 -0.04 -0.05 1.61 3.76 -1.18 -1.04 115.29 116.45 3fxr s HIS 93 Ca 0.08 0.22 0.03 0.00 -0.15 0.00 0.00 55.06 55.25 3fxr s HIS 93 Cb 0.04 -0.15 0.01 0.00 1.11 0.00 0.00 32.58 33.59 3fxr s HIS 93 CO 0.06 -0.10 -0.13 0.42 -0.85 0.00 0.00 174.74 174.15 3fxr s ILE 94 N 0.92 1.11 -0.12 0.60 1.01 -0.38 -4.95 121.20 119.39 3fxr s ILE 94 Ca -0.07 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.06 3fxr s ILE 94 Cb -0.10 -0.99 0.03 0.00 0.01 0.00 0.00 42.46 41.41 3fxr s ILE 94 CO -0.03 0.34 -0.05 -0.89 0.00 0.00 0.00 174.94 174.31 3fxr s THR 95 N 0.38 0.85 0.21 2.92 2.01 -1.26 -0.57 115.64 120.19 3fxr s THR 95 Ca -0.09 -0.26 -0.03 0.00 0.31 0.00 0.00 61.69 61.62 3fxr s THR 95 Cb -0.13 -0.96 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 3fxr s THR 95 CO 0.02 0.27 0.20 0.72 -0.69 0.00 0.00 174.62 175.14 3fxr s PHE 96 N 1.77 1.03 -0.02 4.92 -0.12 -0.77 -0.06 117.98 124.72 3fxr s PHE 96 Ca 0.04 -1.27 0.06 0.00 -0.05 0.00 0.00 56.93 55.71 3fxr s PHE 96 Cb -0.13 -0.42 -0.01 0.00 -0.63 0.00 0.00 43.02 41.82 3fxr s PHE 96 CO -0.07 -0.72 -0.21 0.00 -0.05 0.00 0.00 175.22 174.17 3fxr s ALA 97 N -4.10 1.75 0.03 1.99 0.00 -0.84 -1.45 121.76 119.15 3fxr s ALA 97 Ca 0.36 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.50 3fxr s ALA 97 Cb 0.05 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 3fxr s ALA 97 CO 0.12 0.40 -0.18 0.00 0.00 0.00 0.00 175.76 176.10 3fxr s ALA 98 N -0.38 1.54 0.78 0.00 0.00 0.19 0.79 121.76 124.68 3fxr s ALA 98 Ca 0.05 -0.95 -0.12 0.00 0.00 0.00 0.00 51.96 50.94 3fxr s ALA 98 Cb -0.09 -0.30 0.07 0.00 0.00 0.00 0.00 23.12 22.80 3fxr s ALA 98 CO 0.00 0.34 1.14 -1.54 0.00 0.00 0.00 175.76 175.70 3fxr s SER 99 N -1.06 4.12 0.21 0.00 1.04 0.24 -2.49 113.70 115.76 3fxr s SER 99 Ca 0.06 2.08 -0.09 0.00 0.48 0.00 0.00 55.95 58.48 3fxr s SER 99 Cb -0.08 -2.56 0.29 0.00 0.10 0.00 0.00 66.02 63.77 3fxr s SER 99 CO 0.01 -2.30 1.75 -0.65 0.98 0.00 0.00 173.24 173.03 3fxr h PRO 100 N -0.91 0.45 -0.30 4.02 0.11 -1.91 -1.75 132.00 131.71 3fxr h PRO 100 Ca -0.45 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3fxr h PRO 100 Cb 1.26 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3fxr h PRO 100 CO 0.49 0.30 0.13 0.00 -0.21 0.00 0.00 178.00 178.71 3fxr h ALA 101 N 1.42 0.40 -0.85 -0.75 0.00 -1.95 -1.68 119.26 115.84 3fxr h ALA 101 Ca 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3fxr h ALA 101 Cb 0.37 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3fxr h ALA 101 CO -0.29 -0.02 0.54 0.82 0.00 0.00 0.00 179.25 180.30 3fxr h ILE 102 N 0.35 1.23 0.00 0.00 1.08 -1.87 -1.87 117.51 116.43 3fxr h ILE 102 Ca 0.10 -0.45 -0.02 0.00 -0.39 0.00 0.00 64.86 64.10 3fxr h ILE 102 Cb 0.16 -0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 33.90 3fxr h ILE 102 CO -0.01 0.23 -0.11 0.00 -0.69 0.00 0.00 178.15 177.56 3fxr h ALA 103 N 1.43 0.99 0.00 1.87 0.00 -0.94 0.36 119.26 122.98 3fxr h ALA 103 Ca 0.31 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.94 3fxr h ALA 103 Cb -0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3fxr h ALA 103 CO -0.06 0.14 -2.10 1.28 0.00 0.00 0.00 179.25 178.51 3fxr n LEU 104 N -3.22 0.09 0.05 0.00 4.77 -0.67 -4.53 117.00 113.49 3fxr n LEU 104 Ca 0.01 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3fxr n LEU 104 Cb 0.41 0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 3fxr n LEU 104 CO 0.31 0.23 0.00 0.00 -1.33 0.00 0.00 177.39 176.60 3fxr n ALA 105 N -2.48 3.00 0.26 -1.18 0.00 -0.74 -4.87 120.51 114.49 3fxr n ALA 105 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 3fxr n ALA 105 Cb 0.85 0.17 -0.08 0.00 0.00 0.00 0.00 19.45 20.40 3fxr n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fxr h ALA 106 N 0.00 -0.67 -0.25 0.00 0.00 -1.53 -3.37 119.26 113.44 3fxr h ALA 106 Ca 0.00 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.78 3fxr h ALA 106 Cb 0.00 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 3fxr h ALA 106 CO 0.00 -0.73 -0.32 1.25 0.00 0.00 0.00 179.25 179.45 3fxr h LEU 107 N -0.96 -1.03 -0.62 0.00 5.85 -0.57 -1.17 115.31 116.80 3fxr h LEU 107 Ca -0.07 0.16 0.12 0.00 0.84 0.00 0.00 57.88 58.94 3fxr h LEU 107 Cb 0.60 0.46 -0.09 0.00 0.37 0.00 0.00 40.66 42.00 3fxr h LEU 107 CO 0.11 -0.34 0.13 -0.65 -0.34 0.00 0.00 178.44 177.36 3fxr h PRO 108 N -0.33 0.25 -0.10 5.25 0.11 -1.80 0.85 132.00 136.23 3fxr h PRO 108 Ca 0.13 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 66.02 3fxr h PRO 108 Cb 0.54 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.59 3fxr h PRO 108 CO -0.43 0.17 -0.76 -0.07 -0.21 0.00 0.00 178.00 176.69 3fxr h LEU 109 N 0.26 0.66 -0.26 2.35 3.38 -1.68 -3.01 115.31 117.01 3fxr h LEU 109 Ca 0.33 -0.44 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3fxr h LEU 109 Cb 0.51 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3fxr h LEU 109 CO -0.42 1.20 0.13 0.00 0.09 0.00 0.00 178.44 179.43 3fxr h ALA 110 N 0.78 0.31 -0.67 1.53 0.00 -0.09 -3.00 119.26 118.13 3fxr h ALA 110 Ca -0.04 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3fxr h ALA 110 Cb 1.36 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 3fxr h ALA 110 CO 0.14 -0.27 0.28 -0.07 0.00 0.00 0.00 179.25 179.33 3fxr h LEU 111 N 0.27 0.89 0.41 0.00 3.38 0.70 0.48 115.31 121.45 3fxr h LEU 111 Ca 0.11 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3fxr h LEU 111 Cb 0.03 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3fxr h LEU 111 CO -0.08 0.79 -0.20 0.00 0.09 0.00 0.00 178.44 179.04 3fxr h ALA 112 N 1.34 -0.55 -0.23 1.53 0.00 -1.48 -2.27 119.26 117.60 3fxr h ALA 112 Ca 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3fxr h ALA 112 Cb 0.16 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3fxr h ALA 112 CO -0.02 -0.78 0.10 0.77 0.00 0.00 0.00 179.25 179.32 3fxr h SER 113 N -0.62 0.30 -0.57 0.00 0.02 -1.37 -2.97 113.55 108.34 3fxr h SER 113 Ca -0.06 -0.14 0.11 0.00 -0.84 0.00 0.00 61.79 60.87 3fxr h SER 113 Cb 0.46 -0.08 -0.09 0.00 0.14 0.00 0.00 62.40 62.83 3fxr h SER 113 CO 0.09 0.36 0.01 0.15 -1.14 0.00 0.00 176.83 176.30 3fxr h PHE 114 N 0.23 -0.01 0.00 3.45 3.57 -0.91 -2.34 116.94 120.93 3fxr h PHE 114 Ca 0.08 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3fxr h PHE 114 Cb 0.14 0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.97 3fxr h PHE 114 CO -0.02 -0.13 0.00 0.00 -2.23 0.00 0.00 178.31 175.93 3fxr h ALA 115 N 1.50 1.00 0.03 2.41 0.00 -1.24 0.41 119.26 123.38 3fxr h ALA 115 Ca 0.29 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 3fxr h ALA 115 Cb 0.46 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.26 3fxr h ALA 115 CO -0.47 0.00 -0.46 0.00 0.00 0.00 0.00 179.25 178.33 3fxr h ARG 116 N 0.00 0.25 -0.00 0.00 3.08 -1.40 -3.06 114.38 113.24 3fxr h ARG 116 Ca 0.00 -0.31 -0.11 0.00 0.07 0.00 0.00 59.98 59.62 3fxr h ARG 116 Cb 0.46 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 3fxr h ARG 116 CO 0.00 1.06 -0.54 1.49 -1.07 0.00 0.00 179.97 180.91 3fxr h GLU 117 N -0.42 0.01 -2.52 0.04 4.81 -1.07 -3.35 114.58 112.06 3fxr h GLU 117 Ca -0.07 -0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.56 3fxr h GLU 117 Cb 1.25 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 30.23 3fxr h GLU 117 CO 0.09 0.55 -0.82 1.19 -0.73 0.00 0.00 179.01 179.28 3fxr n PHE 118 N -3.90 0.99 0.45 0.92 3.72 0.13 -4.98 117.46 114.79 3fxr n PHE 118 Ca -0.01 -3.76 0.13 0.00 -0.05 0.00 0.00 57.45 53.76 3fxr n PHE 118 Cb 0.55 -0.20 0.41 0.00 -0.94 0.00 0.00 39.48 39.30 3fxr n PHE 118 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3fxr h PRO 119 N 5.16 0.00 -0.54 -1.08 0.13 -1.68 -3.30 132.00 130.69 3fxr h PRO 119 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 3fxr h PRO 119 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3fxr h PRO 119 CO 0.55 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.07 3fxr n ASP 120 N -2.52 5.09 -4.40 1.44 8.00 -1.26 -4.94 116.55 117.95 3fxr n ASP 120 Ca 0.04 -2.78 -0.35 0.00 0.71 0.00 0.00 54.79 52.41 3fxr n ASP 120 Cb 0.39 -0.62 -0.13 0.00 -0.02 0.00 0.00 41.12 40.74 3fxr n ASP 120 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fxr s VAL 121 N -2.47 3.73 0.05 2.53 1.01 -1.24 -4.69 120.40 119.33 3fxr s VAL 121 Ca 0.51 -0.38 -0.31 0.00 0.00 0.00 0.00 61.98 61.80 3fxr s VAL 121 Cb 0.37 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 3fxr s VAL 121 CO 0.17 0.43 1.20 -0.89 0.00 0.00 0.00 175.10 176.01 3fxr s THR 122 N 1.16 4.05 -0.09 3.92 2.01 -0.21 -4.95 115.64 121.53 3fxr s THR 122 Ca 0.02 1.46 0.01 0.00 0.31 0.00 0.00 61.69 63.50 3fxr s THR 122 Cb -0.14 -3.94 -0.02 0.00 0.01 0.00 0.00 72.50 68.40 3fxr s THR 122 CO 0.01 0.10 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.24 3fxr s VAL 123 N 1.16 3.36 -0.19 3.82 1.01 -1.26 -1.25 120.40 127.05 3fxr s VAL 123 Ca 0.59 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3fxr s VAL 123 Cb -0.29 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 33.74 3fxr s VAL 123 CO 0.29 0.57 -0.18 0.21 0.00 0.00 0.00 175.10 175.98 3fxr s ASN 124 N -0.38 3.35 -0.10 3.32 3.84 0.27 -4.97 114.94 120.26 3fxr s ASN 124 Ca 0.05 -0.78 0.02 0.00 0.21 0.00 0.00 52.86 52.36 3fxr s ASN 124 Cb -0.12 -1.49 -0.01 0.00 -0.55 0.00 0.00 41.25 39.08 3fxr s ASN 124 CO 0.02 -0.03 -0.17 0.54 -2.79 0.00 0.00 177.10 174.67 3fxr s VAL 125 N 1.26 2.74 0.18 -5.21 0.11 -1.26 -1.85 120.40 116.38 3fxr s VAL 125 Ca 0.03 -0.79 0.03 0.00 -2.93 0.00 0.00 61.98 58.32 3fxr s VAL 125 Cb -0.14 -2.10 -0.05 0.00 -1.53 0.00 0.00 36.38 32.56 3fxr s VAL 125 CO -0.12 0.55 -0.03 0.00 -3.33 0.00 0.00 175.10 172.17 3fxr s ARG 126 N 0.06 1.17 0.39 1.54 1.70 -0.53 -5.01 118.95 118.27 3fxr s ARG 126 Ca -0.07 -1.55 -0.26 0.00 -0.47 0.00 0.00 55.73 53.38 3fxr s ARG 126 Cb -0.15 -0.50 -0.09 0.00 -0.57 0.00 0.00 34.95 33.64 3fxr s ARG 126 CO 0.05 -0.05 1.24 -0.51 -1.08 0.00 0.00 175.30 174.95 3fxr s ASP 127 N -3.22 6.51 0.05 -2.89 1.01 -1.26 -0.64 116.67 116.23 3fxr s ASP 127 Ca 0.23 2.52 -0.27 0.00 0.71 0.00 0.00 52.55 55.74 3fxr s ASP 127 Cb 0.05 -2.63 0.09 0.00 1.01 0.00 0.00 42.92 41.44 3fxr s ASP 127 CO 0.04 -0.70 0.77 -0.83 0.21 0.00 0.00 175.17 174.66 3fxr s GLY 128 N -0.87 -0.52 -0.15 0.21 0.00 -1.04 -4.70 107.32 100.26 3fxr s GLY 128 Ca 0.55 0.87 -0.18 0.00 0.00 0.00 0.00 44.72 45.97 3fxr s GLY 128 CO 0.45 0.34 0.47 -0.29 0.00 0.00 0.00 173.10 174.07 3fxr s MET 129 N -3.16 0.62 0.09 2.90 1.75 -1.26 -3.97 119.30 116.27 3fxr s MET 129 Ca 0.02 0.51 -0.26 0.00 -1.25 0.00 0.00 55.69 54.71 3fxr s MET 129 Cb -0.01 0.30 -0.06 0.00 2.84 0.00 0.00 34.83 37.90 3fxr s MET 129 CO -0.09 -0.11 0.81 -0.47 -0.65 0.00 0.00 175.02 174.51 3fxr s TYR 130 N -0.10 3.79 -1.80 4.11 6.14 -1.26 -0.98 117.35 127.25 3fxr s TYR 130 Ca -0.03 1.58 0.28 0.00 0.64 0.00 0.00 57.07 59.54 3fxr s TYR 130 Cb -0.03 -2.85 1.13 0.00 0.42 0.00 0.00 41.96 40.62 3fxr s TYR 130 CO 0.02 0.32 1.80 -0.35 0.64 0.00 0.00 175.55 177.98 3fxr n PRO 131 N 2.50 0.87 -0.01 4.97 -0.04 -1.26 -3.80 135.00 138.22 3fxr n PRO 131 Ca -0.02 -0.37 0.04 0.00 -0.04 0.00 0.00 63.50 63.11 3fxr n PRO 131 Cb 0.50 -1.49 0.43 0.00 -0.04 0.00 0.00 33.50 32.89 3fxr n PRO 131 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fxr h ALA 132 N 3.75 1.73 0.00 0.55 0.00 -1.46 -2.30 119.26 121.52 3fxr h ALA 132 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fxr h ALA 132 Cb 0.39 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3fxr h ALA 132 CO 0.00 0.24 0.00 -0.39 0.00 0.00 0.00 179.25 179.10 3fxr h VAL 133 N 0.55 0.00 -0.51 0.00 -1.51 -1.70 -3.36 116.25 109.72 3fxr h VAL 133 Ca 0.16 -0.57 0.10 0.00 -1.23 0.00 0.00 66.70 65.17 3fxr h VAL 133 Cb -0.02 1.53 -0.10 0.00 -2.13 0.00 0.00 31.29 30.57 3fxr h VAL 133 CO -0.04 0.00 -0.20 -1.28 -1.23 0.00 0.00 177.57 174.83 3fxr h SER 134 N 0.00 -0.69 -0.28 4.19 0.87 -1.70 -1.76 113.55 114.18 3fxr h SER 134 Ca 0.00 0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 3fxr h SER 134 Cb 0.59 0.40 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 3fxr h SER 134 CO 0.00 -0.23 0.11 -0.65 -0.53 0.00 0.00 176.83 175.53 3fxr h PRO 135 N -0.08 0.50 0.00 2.24 0.11 -1.79 -1.40 132.00 131.58 3fxr h PRO 135 Ca 0.24 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 66.16 3fxr h PRO 135 Cb 0.45 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 3fxr h PRO 135 CO -0.56 0.44 -0.90 -0.56 -0.21 0.00 0.00 178.00 176.21 3fxr h GLN 136 N 0.49 0.00 -0.53 1.05 3.07 -1.73 -0.60 115.11 116.87 3fxr h GLN 136 Ca 0.12 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.82 3fxr h GLN 136 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.69 3fxr h GLN 136 CO -0.01 0.37 0.16 -0.07 0.09 0.00 0.00 178.83 179.37 3fxr h LEU 137 N 0.00 0.77 -0.39 0.06 3.38 -1.13 -1.52 115.31 116.48 3fxr h LEU 137 Ca -0.07 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.58 3fxr h LEU 137 Cb 1.43 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 3fxr h LEU 137 CO 0.05 0.78 -0.18 -0.09 0.09 0.00 0.00 178.44 179.09 3fxr h ARG 138 N 0.72 0.81 -0.07 1.13 2.43 -1.18 -3.07 114.38 115.16 3fxr h ARG 138 Ca 0.17 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 3fxr h ARG 138 Cb 0.29 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3fxr h ARG 138 CO -0.00 0.98 0.00 -0.40 -1.51 0.00 0.00 179.97 179.03 3fxr n ASP 139 N -4.26 1.45 0.00 -3.80 5.75 -0.24 -4.95 116.55 110.51 3fxr n ASP 139 Ca -0.02 -1.55 0.00 0.00 -0.01 0.00 0.00 54.79 53.21 3fxr n ASP 139 Cb 0.42 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 3fxr n ASP 139 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fxr n GLY 140 N 1.14 2.48 0.06 6.12 0.00 -0.70 -4.86 105.19 109.42 3fxr n GLY 140 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 3fxr n GLY 140 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fxr n THR 141 N -2.00 1.49 -3.99 2.61 -2.24 -0.84 -4.33 114.28 104.98 3fxr n THR 141 Ca 0.00 0.51 -0.26 0.00 -2.27 0.00 0.00 64.05 62.03 3fxr n THR 141 Cb 0.00 -1.47 -0.17 0.00 -2.10 0.00 0.00 70.33 66.59 3fxr n THR 141 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3fxr s LEU 142 N -3.56 1.21 0.01 3.22 2.96 -0.66 -4.96 118.68 116.92 3fxr s LEU 142 Ca 0.01 -0.28 -0.27 0.00 -0.22 0.00 0.00 54.13 53.36 3fxr s LEU 142 Cb 0.04 -0.81 -0.15 0.00 0.50 0.00 0.00 46.19 45.77 3fxr s LEU 142 CO 0.13 -0.10 1.13 0.44 -1.32 0.00 0.00 176.35 176.62 3fxr h ASP 143 N 8.01 -0.80 -5.32 3.68 3.32 -0.67 -3.37 116.42 121.26 3fxr h ASP 143 Ca -0.30 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.65 3fxr h ASP 143 Cb 1.14 0.21 -0.12 0.00 0.22 0.00 0.00 39.33 40.77 3fxr h ASP 143 CO 0.41 -0.43 -0.35 0.72 -1.72 0.00 0.00 179.24 177.87 3fxr s PHE 144 N -4.72 0.54 0.00 4.55 -0.12 -1.23 -4.57 117.98 112.43 3fxr s PHE 144 Ca -0.14 -0.89 0.05 0.00 -0.05 0.00 0.00 56.93 55.90 3fxr s PHE 144 Cb 0.01 -0.12 -0.01 0.00 -0.63 0.00 0.00 43.02 42.27 3fxr s PHE 144 CO 0.43 -0.75 -0.15 0.00 -0.05 0.00 0.00 175.22 174.71 3fxr s ALA 145 N -4.01 1.24 -0.56 1.99 0.00 -0.16 -1.98 121.76 118.27 3fxr s ALA 145 Ca 0.22 -0.70 -0.05 0.00 0.00 0.00 0.00 51.96 51.44 3fxr s ALA 145 Cb 0.03 -0.29 0.15 0.00 0.00 0.00 0.00 23.12 23.01 3fxr s ALA 145 CO 0.04 0.29 0.39 -0.51 0.00 0.00 0.00 175.76 175.96 3fxr s LEU 146 N -0.55 5.42 0.06 0.00 1.43 0.24 -0.81 118.68 124.46 3fxr s LEU 146 Ca 0.05 -2.49 -0.06 0.00 -1.03 0.00 0.00 54.13 50.61 3fxr s LEU 146 Cb -0.06 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 3fxr s LEU 146 CO -0.00 -0.48 0.10 0.28 0.23 0.00 0.00 176.35 176.48 3fxr s THR 147 N 0.48 0.16 0.60 5.49 -1.32 -0.70 -0.59 115.64 119.76 3fxr s THR 147 Ca 0.13 -1.30 -0.18 0.00 -1.21 0.00 0.00 61.69 59.12 3fxr s THR 147 Cb -0.21 -1.21 -0.03 0.00 -1.51 0.00 0.00 72.50 69.54 3fxr s THR 147 CO -0.04 -0.72 1.19 0.00 -2.21 0.00 0.00 174.62 172.84 3fxr s ALA 148 N -3.38 2.52 0.30 11.08 0.00 -1.26 0.28 121.76 131.30 3fxr s ALA 148 Ca 0.02 0.94 -0.19 0.00 0.00 0.00 0.00 51.96 52.72 3fxr s ALA 148 Cb 0.03 -3.43 0.03 0.00 0.00 0.00 0.00 23.12 19.75 3fxr s ALA 148 CO -0.08 -1.18 0.72 0.00 0.00 0.00 0.00 175.76 175.21 3fxr s ALA 149 N -1.71 -1.06 -0.25 0.00 0.00 -0.94 -4.28 121.76 113.53 3fxr s ALA 149 Ca 0.76 -0.44 -0.05 0.00 0.00 0.00 0.00 51.96 52.23 3fxr s ALA 149 Cb -0.29 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.66 3fxr s ALA 149 CO 0.34 -1.02 0.00 -1.01 0.00 0.00 0.00 175.76 174.08 3fxr s HIS 150 N -3.60 3.05 0.24 0.00 3.76 -1.26 -4.29 115.29 113.20 3fxr s HIS 150 Ca 0.13 -1.00 -0.13 0.00 -0.15 0.00 0.00 55.06 53.91 3fxr s HIS 150 Cb -0.05 -2.16 0.32 0.00 1.11 0.00 0.00 32.58 31.79 3fxr s HIS 150 CO 0.08 -0.57 1.58 -0.22 -0.85 0.00 0.00 174.74 174.76 3fxr h LYS 151 N 8.15 -0.02 0.00 1.40 3.64 -2.01 0.16 116.57 127.88 3fxr h LYS 151 Ca -0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 3fxr h LYS 151 Cb 1.14 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3fxr h LYS 151 CO 0.60 -0.02 0.00 0.72 -2.27 0.00 0.00 179.45 178.48 3fxr n HIS 152 N -5.52 0.00 -3.02 1.91 8.25 -1.26 -3.91 115.22 111.67 3fxr n HIS 152 Ca 0.11 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.41 3fxr n HIS 152 Cb 0.42 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.52 3fxr n HIS 152 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3fxr n ASP 153 N -0.58 -0.78 -4.07 0.41 2.03 0.54 -5.12 116.55 108.99 3fxr n ASP 153 Ca 0.03 -3.07 -0.17 0.00 0.52 0.00 0.00 54.79 52.10 3fxr n ASP 153 Cb 0.01 0.34 -0.13 0.00 -0.72 0.00 0.00 41.12 40.62 3fxr n ASP 153 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3fxr s ILE 154 N -0.82 0.76 0.38 5.18 1.01 -1.24 -4.52 121.20 121.96 3fxr s ILE 154 Ca 0.34 -0.78 -0.25 0.00 0.00 0.00 0.00 60.65 59.95 3fxr s ILE 154 Cb 0.25 -0.71 -0.12 0.00 0.01 0.00 0.00 42.46 41.89 3fxr s ILE 154 CO -0.13 -0.05 0.97 -0.67 0.00 0.00 0.00 174.94 175.06 3fxr n ASP 155 N 2.12 1.10 0.16 3.58 2.03 -1.26 -4.90 116.55 119.38 3fxr n ASP 155 Ca -0.18 1.07 0.02 0.00 0.52 0.00 0.00 54.79 56.22 3fxr n ASP 155 Cb 0.56 -1.31 0.24 0.00 -0.72 0.00 0.00 41.12 39.88 3fxr n ASP 155 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3fxr h THR 156 N 1.62 1.15 0.00 5.18 1.35 -2.02 -2.84 112.91 117.35 3fxr h THR 156 Ca -0.43 -1.86 0.00 0.00 -0.55 0.00 0.00 66.41 63.58 3fxr h THR 156 Cb 1.34 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.83 3fxr h THR 156 CO 0.58 0.49 0.00 0.47 -0.25 0.00 0.00 175.52 176.81 3fxr n ASP 157 N -3.64 0.17 -4.62 5.36 8.00 -1.26 -4.74 116.55 115.82 3fxr n ASP 157 Ca -0.01 0.55 -0.34 0.00 0.71 0.00 0.00 54.79 55.70 3fxr n ASP 157 Cb 0.57 -0.59 -0.10 0.00 -0.02 0.00 0.00 41.12 40.98 3fxr n ASP 157 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3fxr s LEU 158 N -3.40 3.41 0.15 0.64 1.43 -1.07 -1.70 118.68 118.13 3fxr s LEU 158 Ca 0.04 0.05 -0.13 0.00 -1.03 0.00 0.00 54.13 53.06 3fxr s LEU 158 Cb 0.07 -1.78 -0.07 0.00 0.03 0.00 0.00 46.19 44.44 3fxr s LEU 158 CO 0.22 0.33 0.52 -0.70 0.23 0.00 0.00 176.35 176.96 3fxr s GLU 159 N -0.60 3.91 -0.19 1.70 2.12 0.12 -4.83 118.70 120.93 3fxr s GLU 159 Ca 0.10 0.40 -0.01 0.00 0.36 0.00 0.00 54.97 55.81 3fxr s GLU 159 Cb -0.12 -2.89 0.05 0.00 0.26 0.00 0.00 34.13 31.44 3fxr s GLU 159 CO 0.02 0.46 -0.00 0.00 -0.54 0.00 0.00 175.26 175.20 3fxr s ALA 160 N -1.52 1.29 -0.23 6.30 0.00 -1.26 -2.61 121.76 123.73 3fxr s ALA 160 Ca 0.39 -0.83 -0.07 0.00 0.00 0.00 0.00 51.96 51.45 3fxr s ALA 160 Cb -0.14 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 3fxr s ALA 160 CO 0.19 -1.05 0.06 -0.65 0.00 0.00 0.00 175.76 174.31 3fxr s GLN 161 N 1.72 3.71 0.30 0.00 -0.21 -0.75 -4.94 119.66 119.49 3fxr s GLN 161 Ca -0.01 -0.46 -0.30 0.00 0.02 0.00 0.00 55.36 54.61 3fxr s GLN 161 Cb -0.17 -3.27 -0.12 0.00 1.00 0.00 0.00 33.01 30.46 3fxr s GLN 161 CO -0.07 -0.08 1.55 -2.30 -2.12 0.00 0.00 175.29 172.27 3fxr n PRO 162 N 4.58 2.61 -0.07 2.91 -0.02 -1.26 -0.25 135.00 143.50 3fxr n PRO 162 Ca -0.16 0.93 -0.10 0.00 -2.02 0.00 0.00 63.50 62.15 3fxr n PRO 162 Cb 0.52 -2.68 -0.03 0.00 -0.02 0.00 0.00 33.50 31.28 3fxr n PRO 162 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3fxr n LEU 163 N 1.82 1.74 -3.91 2.45 7.94 0.81 -4.81 117.00 123.03 3fxr n LEU 163 Ca 0.07 0.29 -0.08 0.00 -1.11 0.00 0.00 56.01 55.18 3fxr n LEU 163 Cb 0.37 -0.66 -0.04 0.00 0.53 0.00 0.00 43.42 43.62 3fxr n LEU 163 CO 0.64 -0.24 0.33 -0.72 -1.11 0.00 0.00 177.39 176.29 3fxr s TYR 164 N -2.67 0.06 -0.26 1.96 1.13 -1.21 -4.94 117.35 111.42 3fxr s TYR 164 Ca -0.24 -0.47 -0.11 0.00 -1.41 0.00 0.00 57.07 54.83 3fxr s TYR 164 Cb 0.05 0.46 -0.05 0.00 -1.10 0.00 0.00 41.96 41.31 3fxr s TYR 164 CO 0.35 -1.11 0.20 0.08 -2.51 0.00 0.00 175.55 172.56 3fxr s VAL 165 N -3.96 5.31 0.53 -3.49 1.01 -1.26 -1.45 120.40 117.09 3fxr s VAL 165 Ca 0.16 0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.43 3fxr s VAL 165 Cb -0.03 -3.54 0.05 0.00 0.00 0.00 0.00 36.38 32.86 3fxr s VAL 165 CO 0.07 0.28 0.73 -0.94 0.00 0.00 0.00 175.10 175.24 3fxr s SER 166 N 1.43 5.26 0.09 3.32 1.04 -0.21 -4.98 113.70 119.64 3fxr s SER 166 Ca 0.08 -0.41 0.10 0.00 0.48 0.00 0.00 55.95 56.20 3fxr s SER 166 Cb -0.15 -0.41 -0.03 0.00 0.10 0.00 0.00 66.02 65.53 3fxr s SER 166 CO 0.08 -1.14 -0.26 -1.81 0.98 0.00 0.00 173.24 171.09 3fxr s ASP 167 N -4.49 3.18 -0.03 7.02 1.11 -1.26 -3.59 116.67 118.60 3fxr s ASP 167 Ca 0.59 -0.67 0.04 0.00 0.18 0.00 0.00 52.55 52.69 3fxr s ASP 167 Cb -0.08 -0.25 -0.00 0.00 1.07 0.00 0.00 42.92 43.65 3fxr s ASP 167 CO 0.37 0.21 -0.16 -0.69 1.18 0.00 0.00 175.17 176.08 3fxr s VAL 168 N -0.94 1.32 0.05 -1.27 1.01 -1.26 -2.24 120.40 117.07 3fxr s VAL 168 Ca 0.12 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.48 3fxr s VAL 168 Cb -0.10 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 3fxr s VAL 168 CO 0.04 0.38 -0.13 0.68 0.00 0.00 0.00 175.10 176.07 3fxr s VAL 169 N -0.04 1.02 -0.03 2.92 -7.23 -0.74 -4.90 120.40 111.40 3fxr s VAL 169 Ca -0.01 -1.05 -0.26 0.00 -1.81 0.00 0.00 61.98 58.84 3fxr s VAL 169 Cb -0.10 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 35.85 3fxr s VAL 169 CO 0.01 -0.09 0.80 -0.63 -0.31 0.00 0.00 175.10 174.88 3fxr s ILE 170 N -0.98 4.95 0.04 -0.62 1.01 -1.26 -2.02 121.20 122.31 3fxr s ILE 170 Ca -0.01 1.67 0.08 0.00 0.00 0.00 0.00 60.65 62.40 3fxr s ILE 170 Cb -0.08 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.22 3fxr s ILE 170 CO 0.01 0.24 -0.23 -0.69 0.00 0.00 0.00 174.94 174.27 3fxr s VAL 171 N 0.76 1.87 0.25 2.92 1.01 0.30 -0.31 120.40 127.20 3fxr s VAL 171 Ca 0.42 -1.26 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 3fxr s VAL 171 Cb -0.19 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 3fxr s VAL 171 CO 0.22 0.29 0.36 -0.83 0.00 0.00 0.00 175.10 175.14 3fxr s GLY 172 N -1.16 1.08 0.33 4.51 0.00 -0.08 -1.99 107.32 110.02 3fxr s GLY 172 Ca 0.09 -1.31 -0.29 0.00 0.00 0.00 0.00 44.72 43.21 3fxr s GLY 172 CO 0.02 -0.98 1.42 -0.18 0.00 0.00 0.00 173.10 173.37 3fxr n GLN 173 N -0.39 2.38 -0.35 2.90 0.00 -1.24 -0.01 117.38 120.66 3fxr n GLN 173 Ca 0.00 0.84 0.24 0.00 -0.00 0.00 0.00 57.00 58.09 3fxr n GLN 173 Cb 0.63 -2.51 0.49 0.00 0.00 0.00 0.00 30.24 28.86 3fxr n GLN 173 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 3fxr h ARG 174 N 3.25 0.34 -1.67 3.69 2.43 -1.27 0.16 114.38 121.32 3fxr h ARG 174 Ca -0.47 -0.02 -0.67 0.00 -0.81 0.00 0.00 59.98 58.01 3fxr h ARG 174 Cb 1.26 -0.08 -0.35 0.00 -0.42 0.00 0.00 29.97 30.38 3fxr h ARG 174 CO 0.67 0.23 0.07 1.04 -1.51 0.00 0.00 179.97 180.47 3fxr n GLN 175 N -4.87 3.13 -1.89 0.20 3.00 -1.26 -4.70 117.38 110.99 3fxr n GLN 175 Ca 0.30 -4.04 -0.41 0.00 -0.01 0.00 0.00 57.00 52.84 3fxr n GLN 175 Cb 0.98 -2.26 -0.01 0.00 0.00 0.00 0.00 30.24 28.95 3fxr n GLN 175 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 3fxr s HIS 176 N -3.78 2.77 0.63 1.08 2.46 0.56 -4.86 115.29 114.15 3fxr s HIS 176 Ca 0.50 1.12 0.29 0.00 0.47 0.00 0.00 55.06 57.44 3fxr s HIS 176 Cb 0.42 -3.94 1.54 0.00 -0.13 0.00 0.00 32.58 30.47 3fxr s HIS 176 CO -0.27 -2.84 1.90 -1.35 -2.47 0.00 0.00 174.74 169.70 3fxr h PRO 177 N 3.70 0.00 -0.33 2.88 0.11 -1.96 -1.40 132.00 135.01 3fxr h PRO 177 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3fxr h PRO 177 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3fxr h PRO 177 CO 0.69 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 177.15 3fxr n MET 178 N -3.22 3.05 0.04 1.05 2.81 -1.26 -4.63 117.12 114.97 3fxr n MET 178 Ca 0.02 -2.59 0.21 0.00 -1.81 0.00 0.00 57.70 53.53 3fxr n MET 178 Cb 0.50 -1.67 0.73 0.00 -0.71 0.00 0.00 33.22 32.07 3fxr n MET 178 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3fxr h ALA 179 N 2.13 2.28 -0.33 3.04 0.00 -1.61 -1.75 119.26 123.03 3fxr h ALA 179 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3fxr h ALA 179 Cb 1.23 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3fxr h ALA 179 CO 0.16 -0.68 0.00 0.09 0.00 0.00 0.00 179.25 178.81 3fxr n ASN 180 N -3.96 2.57 -4.77 0.00 3.02 -1.26 -4.79 115.26 106.07 3fxr n ASN 180 Ca 0.09 -1.88 -0.40 0.00 -0.03 0.00 0.00 54.58 52.36 3fxr n ASN 180 Cb 0.64 -0.21 0.01 0.00 -0.61 0.00 0.00 39.78 39.61 3fxr n ASN 180 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fxr s ALA 181 N -1.58 3.29 -0.53 5.41 0.00 -0.66 -4.92 121.76 122.77 3fxr s ALA 181 Ca 0.35 1.42 0.06 0.00 0.00 0.00 0.00 51.96 53.79 3fxr s ALA 181 Cb 0.19 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 3fxr s ALA 181 CO 0.27 -1.08 0.46 0.25 0.00 0.00 0.00 175.76 175.66 3fxr n THR 182 N -0.03 0.00 -4.14 0.00 -2.24 -1.26 -4.61 114.28 102.00 3fxr n THR 182 Ca 0.04 -0.42 -0.15 0.00 -2.27 0.00 0.00 64.05 61.25 3fxr n THR 182 Cb 0.42 1.06 -0.13 0.00 -2.10 0.00 0.00 70.33 69.58 3fxr n THR 182 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3fxr s ARG 183 N -1.11 0.56 0.22 -0.78 1.81 -1.26 -0.77 118.95 117.62 3fxr s ARG 183 Ca 0.05 -0.58 -0.09 0.00 -1.72 0.00 0.00 55.73 53.38 3fxr s ARG 183 Cb 0.05 -0.44 0.32 0.00 -0.45 0.00 0.00 34.95 34.43 3fxr s ARG 183 CO 0.17 0.10 1.69 1.25 -0.68 0.00 0.00 175.30 177.83 3fxr h LEU 184 N 5.05 -0.06 -1.49 2.53 5.85 -1.96 -2.32 115.31 122.90 3fxr h LEU 184 Ca -0.34 0.13 0.13 0.00 0.84 0.00 0.00 57.88 58.64 3fxr h LEU 184 Cb 1.20 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.36 3fxr h LEU 184 CO 0.44 -0.03 0.51 0.00 -0.34 0.00 0.00 178.44 179.02 3fxr h ALA 185 N 1.52 1.99 0.00 1.25 0.00 -1.96 0.24 119.26 122.29 3fxr h ALA 185 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3fxr h ALA 185 Cb 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3fxr h ALA 185 CO -0.45 -0.19 0.00 0.39 0.00 0.00 0.00 179.25 179.00 3fxr n GLU 186 N -4.50 0.10 0.00 0.00 1.02 -0.87 -2.23 120.64 114.15 3fxr n GLU 186 Ca 0.14 0.59 0.08 0.00 -0.02 0.00 0.00 57.16 57.95 3fxr n GLU 186 Cb 0.47 -1.82 0.05 0.00 -0.02 0.00 0.00 31.44 30.12 3fxr n GLU 186 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3fxr n LEU 187 N -2.02 2.14 -0.50 -4.62 4.77 0.84 -4.60 117.00 113.01 3fxr n LEU 187 Ca -0.01 -0.95 0.42 0.00 -0.03 0.00 0.00 56.01 55.44 3fxr n LEU 187 Cb 0.03 0.00 0.75 0.00 -2.33 0.00 0.00 43.42 41.86 3fxr n LEU 187 CO 0.07 0.39 1.37 1.56 -1.33 0.00 0.00 177.39 179.44 3fxr h GLN 188 N 2.76 0.04 -0.00 3.23 4.20 -1.43 0.31 115.11 124.22 3fxr h GLN 188 Ca 0.00 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3fxr h GLN 188 Cb 0.62 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.39 3fxr h GLN 188 CO 0.00 0.03 -0.46 0.39 -0.67 0.00 0.00 178.83 178.12 3fxr n GLU 189 N -4.21 0.40 -2.14 1.46 -0.58 -1.26 -4.60 120.64 109.71 3fxr n GLU 189 Ca 0.35 -0.25 -0.32 0.00 -0.42 0.00 0.00 57.16 56.52 3fxr n GLU 189 Cb 1.56 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 30.92 3fxr n GLU 189 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3fxr s ARG 191 N -4.47 3.20 -0.02 0.00 0.52 -1.26 -4.10 118.95 112.82 3fxr s ARG 191 Ca 0.58 -0.46 0.05 0.00 -0.52 0.00 0.00 55.73 55.38 3fxr s ARG 191 Cb -0.11 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.40 3fxr s ARG 191 CO 0.40 0.64 -0.18 -1.58 0.02 0.00 0.00 175.30 174.61 3fxr s TRP 192 N -1.31 2.59 -0.82 -0.53 0.52 -0.53 -1.09 118.94 117.77 3fxr s TRP 192 Ca 0.27 -0.24 -0.20 0.00 0.02 0.00 0.00 56.10 55.95 3fxr s TRP 192 Cb -0.12 -1.55 0.11 0.00 -1.15 0.00 0.00 33.47 30.75 3fxr s TRP 192 CO 0.19 0.17 1.05 0.00 0.02 0.00 0.00 176.95 178.37 3fxr s ALA 193 N -0.77 3.28 -0.42 0.98 0.00 0.85 -0.47 121.76 125.21 3fxr s ALA 193 Ca 0.12 -2.44 -0.28 0.00 0.00 0.00 0.00 51.96 49.36 3fxr s ALA 193 Cb -0.10 -3.96 -0.08 0.00 0.00 0.00 0.00 23.12 18.98 3fxr s ALA 193 CO 0.02 -2.88 2.35 1.19 0.00 0.00 0.00 175.76 176.43 3fxr n PHE 194 N 6.92 1.56 -2.48 0.00 3.01 -0.29 -4.56 117.46 121.61 3fxr n PHE 194 Ca 0.13 0.09 -0.27 0.00 1.01 0.00 0.00 57.45 58.41 3fxr n PHE 194 Cb 0.47 -2.63 0.02 0.00 -0.01 0.00 0.00 39.48 37.33 3fxr n PHE 194 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3fxr s SER 195 N 10.02 5.86 0.34 4.37 1.04 -1.26 -1.59 113.70 132.49 3fxr s SER 195 Ca 1.04 0.80 -0.25 0.00 0.48 0.00 0.00 55.95 58.02 3fxr s SER 195 Cb -0.41 -1.92 -0.10 0.00 0.10 0.00 0.00 66.02 63.69 3fxr s SER 195 CO 0.34 -0.87 0.97 -0.44 0.98 0.00 0.00 173.24 174.22 3fxr s SER 196 N -4.23 7.19 0.12 7.02 0.01 -1.26 -0.41 113.70 122.14 3fxr s SER 196 Ca 0.51 1.88 -0.19 0.00 1.31 0.00 0.00 55.95 59.47 3fxr s SER 196 Cb -0.10 -2.58 0.05 0.00 0.21 0.00 0.00 66.02 63.59 3fxr s SER 196 CO 0.45 -0.18 0.48 0.00 0.41 0.00 0.00 173.24 174.40 3fxr s ALA 197 N -1.65 -1.19 0.30 1.44 0.00 -1.23 -4.91 121.76 114.53 3fxr s ALA 197 Ca 0.52 0.22 0.06 0.00 0.00 0.00 0.00 51.96 52.76 3fxr s ALA 197 Cb -0.19 0.69 0.76 0.00 0.00 0.00 0.00 23.12 24.38 3fxr s ALA 197 CO 0.24 -0.65 1.74 -1.35 0.00 0.00 0.00 175.76 175.75 3fxr h PRO 198 N 2.35 0.60 -0.84 0.00 0.11 -1.89 -0.40 132.00 131.93 3fxr h PRO 198 Ca -0.33 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.68 3fxr h PRO 198 Cb 1.26 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 3fxr h PRO 198 CO 0.43 0.40 0.07 0.54 -0.21 0.00 0.00 178.00 179.24 3fxr n ARG 199 N -4.87 2.65 0.00 1.05 1.74 -1.26 -4.35 116.66 111.62 3fxr n ARG 199 Ca 0.24 -1.55 0.00 0.00 -0.77 0.00 0.00 57.85 55.76 3fxr n ARG 199 Cb 0.63 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 3fxr n ARG 199 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fxr n GLY 200 N 0.17 1.68 3.62 -0.13 0.00 -0.16 -4.69 105.19 105.69 3fxr n GLY 200 Ca 0.17 -2.10 -0.48 0.00 0.00 0.00 0.00 46.02 43.61 3fxr n GLY 200 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fxr n PRO 201 N 0.31 1.59 -1.44 1.61 -0.02 -1.26 -1.90 135.00 133.88 3fxr n PRO 201 Ca 0.00 0.57 -0.15 0.00 -2.02 0.00 0.00 63.50 61.90 3fxr n PRO 201 Cb 0.00 -2.19 -0.06 0.00 -0.02 0.00 0.00 33.50 31.23 3fxr n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fxr n GLY 202 N 2.40 1.38 0.32 -1.23 0.00 0.45 -4.84 105.19 103.66 3fxr n GLY 202 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.19 3fxr n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fxr h ALA 203 N 0.60 1.56 0.46 4.61 0.00 -1.60 -1.23 119.26 123.67 3fxr h ALA 203 Ca -0.30 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 3fxr h ALA 203 Cb 0.96 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3fxr h ALA 203 CO 0.44 0.39 -0.22 0.82 0.00 0.00 0.00 179.25 180.68 3fxr h ILE 204 N 0.75 0.55 -0.52 0.00 2.04 -1.88 -1.21 117.51 117.23 3fxr h ILE 204 Ca 0.20 -0.07 -0.11 0.00 1.00 0.00 0.00 64.86 65.88 3fxr h ILE 204 Cb -0.04 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 3fxr h ILE 204 CO -0.04 0.01 -0.09 -0.29 0.00 0.00 0.00 178.15 177.74 3fxr h ILE 205 N -0.65 1.26 0.02 -0.67 6.09 -1.91 -0.80 117.51 120.85 3fxr h ILE 205 Ca -0.06 -1.22 0.02 0.00 -1.37 0.00 0.00 64.86 62.23 3fxr h ILE 205 Cb 0.49 0.96 -0.03 0.00 0.47 0.00 0.00 36.82 38.71 3fxr h ILE 205 CO 0.10 0.43 -0.15 0.03 -3.07 0.00 0.00 178.15 175.49 3fxr h ARG 206 N 0.86 -0.26 0.00 2.19 3.08 -1.23 -0.67 114.38 118.36 3fxr h ARG 206 Ca 0.14 0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.14 3fxr h ARG 206 Cb 0.63 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 3fxr h ARG 206 CO 0.04 -0.17 -0.32 -0.91 -1.07 0.00 0.00 179.97 177.54 3fxr h ASN 207 N -0.27 0.00 0.12 7.04 2.35 -1.12 -0.14 115.58 123.56 3fxr h ASN 207 Ca 0.05 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 3fxr h ASN 207 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 3fxr h ASN 207 CO -0.14 0.32 -0.06 0.00 -1.65 0.00 0.00 177.43 175.90 3fxr h ALA 208 N 1.68 -0.16 -0.86 -0.83 0.00 -0.90 -2.41 119.26 115.78 3fxr h ALA 208 Ca -0.00 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 54.86 3fxr h ALA 208 Cb 0.57 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.33 3fxr h ALA 208 CO 0.04 -0.39 0.45 0.74 0.00 0.00 0.00 179.25 180.09 3fxr h PHE 209 N -0.56 0.78 -0.10 0.00 0.05 -0.90 -2.00 116.94 114.20 3fxr h PHE 209 Ca -0.02 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.80 3fxr h PHE 209 Cb 0.45 -0.22 -0.00 0.00 2.00 0.00 0.00 35.95 38.18 3fxr h PHE 209 CO 0.05 0.17 0.02 0.00 -0.18 0.00 0.00 178.31 178.37 3fxr h ALA 210 N 1.58 0.13 0.00 2.45 0.00 -0.97 0.59 119.26 123.03 3fxr h ALA 210 Ca 0.48 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 3fxr h ALA 210 Cb 0.70 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3fxr h ALA 210 CO -0.38 -0.22 -0.41 0.07 0.00 0.00 0.00 179.25 178.31 3fxr h ARG 211 N -0.07 0.00 -0.26 0.00 0.11 -1.15 -2.13 114.38 110.88 3fxr h ARG 211 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 3fxr h ARG 211 Cb 0.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.37 3fxr h ARG 211 CO 0.00 0.41 0.00 0.66 0.10 0.00 0.00 179.97 181.15 3fxr n TYR 212 N -3.98 0.29 -0.71 4.08 4.01 -0.78 -4.89 117.16 115.18 3fxr n TYR 212 Ca -0.02 -0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 3fxr n TYR 212 Cb 0.45 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 3fxr n TYR 212 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fxr n GLY 213 N 0.75 0.65 3.93 2.72 0.00 -0.80 -4.99 105.19 107.45 3fxr n GLY 213 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 3fxr n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fxr s LEU 214 N 0.00 4.00 1.25 0.99 1.43 0.18 -5.02 118.68 121.51 3fxr s LEU 214 Ca 0.00 0.51 -0.20 0.00 -1.03 0.00 0.00 54.13 53.41 3fxr s LEU 214 Cb 0.00 -3.37 0.31 0.00 0.03 0.00 0.00 46.19 43.15 3fxr s LEU 214 CO 0.00 -0.29 1.09 -2.84 0.23 0.00 0.00 176.35 174.53 3fxr s PRO 215 N -4.22 -1.60 0.31 1.29 0.02 -1.26 -4.21 135.00 125.32 3fxr s PRO 215 Ca 0.41 -0.08 -0.29 0.00 0.02 0.00 0.00 61.00 61.06 3fxr s PRO 215 Cb -0.10 -1.55 -0.13 0.00 0.02 0.00 0.00 34.50 32.74 3fxr s PRO 215 CO 0.36 -3.96 1.32 0.39 -0.33 0.00 0.00 177.00 174.78 3fxr n GLU 216 N -4.93 2.08 -1.84 5.54 -0.58 -1.26 -4.72 120.64 114.93 3fxr n GLU 216 Ca 0.14 0.73 -0.41 0.00 -0.42 0.00 0.00 57.16 57.20 3fxr n GLU 216 Cb 0.60 -2.33 -0.01 0.00 -0.57 0.00 0.00 31.44 29.13 3fxr n GLU 216 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3fxr s PRO 217 N -1.39 4.15 0.01 3.49 0.04 -1.26 -4.98 135.00 135.06 3fxr s PRO 217 Ca 0.59 2.52 -0.30 0.00 0.04 0.00 0.00 61.00 63.85 3fxr s PRO 217 Cb -0.60 -2.99 -0.05 0.00 0.04 0.00 0.00 34.50 30.90 3fxr s PRO 217 CO 0.58 -0.50 1.28 0.15 0.04 0.00 0.00 177.00 178.55 3fxr s LYS 218 N -1.78 4.35 0.03 4.56 1.02 -1.26 -4.98 119.74 121.68 3fxr s LYS 218 Ca 0.54 1.83 -0.30 0.00 0.02 0.00 0.00 55.97 58.06 3fxr s LYS 218 Cb -0.46 -3.47 -0.04 0.00 -0.52 0.00 0.00 37.83 33.34 3fxr s LYS 218 CO 0.59 -0.43 1.03 -1.17 -0.92 0.00 0.00 175.35 174.45 3fxr s LEU 219 N 1.84 4.38 -0.22 3.17 2.96 -1.26 -1.46 118.68 128.09 3fxr s LEU 219 Ca 0.60 1.76 -0.16 0.00 -0.22 0.00 0.00 54.13 56.11 3fxr s LEU 219 Cb -0.29 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 42.73 3fxr s LEU 219 CO 0.26 -0.29 -0.28 0.61 -1.32 0.00 0.00 176.35 175.33 3fxr n GLY 220 N 2.90 -0.57 3.70 7.98 0.00 0.38 -4.68 105.19 114.89 3fxr n GLY 220 Ca 0.06 -0.19 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 3fxr n GLY 220 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3fxr s LEU 221 N -7.76 -0.27 -0.26 0.99 0.05 -0.88 -4.98 118.68 105.57 3fxr s LEU 221 Ca -0.32 -0.34 -0.07 0.00 0.05 0.00 0.00 54.13 53.45 3fxr s LEU 221 Cb 0.09 2.33 -0.02 0.00 -2.05 0.00 0.00 46.19 46.53 3fxr s LEU 221 CO 0.45 -0.97 0.07 -0.69 -0.55 0.00 0.00 176.35 174.66 3fxr s VAL 222 N -3.47 4.26 -0.34 1.48 1.01 -1.26 -1.14 120.40 120.95 3fxr s VAL 222 Ca 0.09 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.87 3fxr s VAL 222 Cb -0.02 -3.02 0.10 0.00 0.00 0.00 0.00 36.38 33.43 3fxr s VAL 222 CO -0.00 0.31 0.04 0.00 0.00 0.00 0.00 175.10 175.45 3fxr h GLU 224 N 7.63 0.00 -6.45 0.00 5.08 -1.96 -3.38 114.58 115.50 3fxr h GLU 224 Ca -0.05 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.74 3fxr h GLU 224 Cb 1.02 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.22 3fxr h GLU 224 CO 0.52 0.63 1.09 0.45 -1.00 0.00 0.00 179.01 180.69 3fxr s SER 225 N -6.36 6.33 0.53 1.42 0.15 -1.26 -4.71 113.70 109.80 3fxr s SER 225 Ca 0.00 1.01 0.31 0.00 0.70 0.00 0.00 55.95 57.97 3fxr s SER 225 Cb 0.09 -2.54 1.38 0.00 -1.71 0.00 0.00 66.02 63.24 3fxr s SER 225 CO 0.80 -1.40 2.00 -0.26 1.20 0.00 0.00 173.24 175.58 3fxr h PHE 226 N 10.76 0.00 -0.61 3.44 0.04 -2.01 -2.03 116.94 126.53 3fxr h PHE 226 Ca -0.29 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.44 3fxr h PHE 226 Cb 1.12 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.24 3fxr h PHE 226 CO 0.95 0.09 0.22 1.25 -0.60 0.00 0.00 178.31 180.22 3fxr h LEU 227 N 0.00 0.86 0.00 1.54 5.85 -1.99 -3.24 115.31 118.33 3fxr h LEU 227 Ca -0.00 -0.19 -0.17 0.00 0.84 0.00 0.00 57.88 58.36 3fxr h LEU 227 Cb 0.48 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3fxr h LEU 227 CO 0.01 0.82 -0.80 0.00 -0.34 0.00 0.00 178.44 178.13 3fxr h ALA 228 N 1.08 0.49 -0.56 1.25 0.00 -1.83 -3.40 119.26 116.29 3fxr h ALA 228 Ca 0.20 -0.72 0.09 0.00 0.00 0.00 0.00 54.91 54.48 3fxr h ALA 228 Cb 0.24 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 3fxr h ALA 228 CO -0.01 0.99 0.16 1.25 0.00 0.00 0.00 179.25 181.63 3fxr h LEU 229 N 0.00 0.10 -0.34 0.00 5.85 -1.41 -2.54 115.31 116.97 3fxr h LEU 229 Ca -0.01 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3fxr h LEU 229 Cb 1.61 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.72 3fxr h LEU 229 CO 0.10 0.07 0.15 -0.65 -0.34 0.00 0.00 178.44 177.77 3fxr h PRO 230 N 0.31 0.50 -0.26 5.25 0.11 -1.77 -2.41 132.00 133.74 3fxr h PRO 230 Ca 0.28 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 66.27 3fxr h PRO 230 Cb 0.37 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 3fxr h PRO 230 CO -0.33 0.49 -0.02 0.78 -0.21 0.00 0.00 178.00 178.71 3fxr h GLY 231 N 0.41 0.42 0.95 -0.55 0.00 -1.82 -2.31 103.07 100.16 3fxr h GLY 231 Ca 0.11 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 3fxr h GLY 231 CO -0.01 0.22 0.11 -2.08 0.00 0.00 0.00 176.54 174.78 3fxr h VAL 232 N 0.38 1.23 0.00 4.60 2.07 -1.23 -2.59 116.25 120.70 3fxr h VAL 232 Ca 0.08 -0.78 -0.08 0.00 0.82 0.00 0.00 66.70 66.74 3fxr h VAL 232 Cb 0.28 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3fxr h VAL 232 CO 0.01 0.28 -0.40 0.58 0.02 0.00 0.00 177.57 178.06 3fxr h VAL 233 N 0.57 0.90 0.00 2.57 2.07 -1.34 -3.12 116.25 117.90 3fxr h VAL 233 Ca 0.14 -1.61 -0.11 0.00 0.82 0.00 0.00 66.70 65.94 3fxr h VAL 233 Cb 0.30 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 3fxr h VAL 233 CO -0.00 0.39 -0.51 0.00 0.02 0.00 0.00 177.57 177.47 3fxr h ALA 234 N 1.60 0.92 -0.57 1.67 0.00 -1.06 -3.21 119.26 118.60 3fxr h ALA 234 Ca -0.00 -0.46 -0.32 0.00 0.00 0.00 0.00 54.91 54.12 3fxr h ALA 234 Cb 0.95 -0.08 -0.19 0.00 0.00 0.00 0.00 17.79 18.47 3fxr h ALA 234 CO 0.05 0.63 0.10 0.72 0.00 0.00 0.00 179.25 180.75 3fxr n HIS 235 N -3.58 1.81 -3.89 0.00 8.25 -1.01 -4.85 115.22 111.95 3fxr n HIS 235 Ca -0.00 -1.83 -0.11 0.00 -0.26 0.00 0.00 57.72 55.52 3fxr n HIS 235 Cb 0.59 -0.66 0.01 0.00 1.12 0.00 0.00 29.99 31.05 3fxr n HIS 235 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3fxr s SER 236 N -2.30 0.32 -0.09 0.41 1.04 -1.21 -5.05 113.70 106.82 3fxr s SER 236 Ca 0.49 -1.28 0.17 0.00 0.48 0.00 0.00 55.95 55.82 3fxr s SER 236 Cb 0.43 0.81 0.63 0.00 0.10 0.00 0.00 66.02 67.99 3fxr s SER 236 CO 0.02 -1.60 1.55 0.47 0.98 0.00 0.00 173.24 174.66 3fxr n ASP 237 N -1.48 4.33 -4.75 7.02 8.00 -1.26 -4.58 116.55 123.82 3fxr n ASP 237 Ca -0.06 -2.40 -0.40 0.00 0.71 0.00 0.00 54.79 52.64 3fxr n ASP 237 Cb 0.60 -0.51 -0.04 0.00 -0.02 0.00 0.00 41.12 41.15 3fxr n ASP 237 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3fxr s LEU 238 N -1.74 4.54 0.30 0.64 1.43 -1.26 -4.68 118.68 117.92 3fxr s LEU 238 Ca 0.46 2.19 -0.03 0.00 -1.03 0.00 0.00 54.13 55.73 3fxr s LEU 238 Cb 0.29 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 3fxr s LEU 238 CO 0.23 -0.14 0.54 -0.76 0.23 0.00 0.00 176.35 176.45 3fxr s LEU 239 N -1.13 4.05 0.21 1.79 1.43 -0.25 -4.56 118.68 120.22 3fxr s LEU 239 Ca 0.45 0.59 -0.06 0.00 -1.03 0.00 0.00 54.13 54.09 3fxr s LEU 239 Cb -0.31 -3.42 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 3fxr s LEU 239 CO 0.39 -0.22 0.26 0.28 0.23 0.00 0.00 176.35 177.28 3fxr s THR 240 N -2.16 0.02 0.08 5.49 -1.32 -0.84 -0.11 115.64 116.80 3fxr s THR 240 Ca 0.42 -1.73 0.06 0.00 -1.21 0.00 0.00 61.69 59.23 3fxr s THR 240 Cb -0.10 -2.29 -0.04 0.00 -1.51 0.00 0.00 72.50 68.56 3fxr s THR 240 CO 0.32 -0.07 -0.07 0.42 -2.21 0.00 0.00 174.62 173.01 3fxr s THR 241 N -4.08 3.58 0.19 5.08 -4.23 -1.26 -0.54 115.64 114.38 3fxr s THR 241 Ca 0.30 -1.12 -0.17 0.00 -1.18 0.00 0.00 61.69 59.52 3fxr s THR 241 Cb 0.04 -2.67 0.03 0.00 1.34 0.00 0.00 72.50 71.24 3fxr s THR 241 CO 0.09 0.16 0.49 0.00 -0.54 0.00 0.00 174.62 174.82 3fxr s MET 242 N -2.11 1.33 0.39 3.99 0.23 -0.86 -4.68 119.30 117.60 3fxr s MET 242 Ca 0.22 -0.87 -0.27 0.00 -1.03 0.00 0.00 55.69 53.74 3fxr s MET 242 Cb -0.11 0.51 -0.11 0.00 -1.53 0.00 0.00 34.83 33.59 3fxr s MET 242 CO 0.14 -0.56 1.39 -2.30 -2.03 0.00 0.00 175.02 171.66 3fxr n PRO 243 N -0.32 2.33 -0.33 3.16 -0.02 -1.26 -1.79 135.00 136.77 3fxr n PRO 243 Ca -0.10 0.82 0.13 0.00 -2.02 0.00 0.00 63.50 62.33 3fxr n PRO 243 Cb 0.63 -2.53 0.35 0.00 -0.02 0.00 0.00 33.50 31.93 3fxr n PRO 243 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3fxr h ARG 244 N 2.57 0.70 -0.69 -0.52 2.43 -1.80 -1.75 114.38 115.33 3fxr h ARG 244 Ca -0.49 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 58.59 3fxr h ARG 244 Cb 1.27 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.63 3fxr h ARG 244 CO 0.62 0.46 0.24 1.15 -1.51 0.00 0.00 179.97 180.94 3fxr h THR 245 N 0.72 1.25 -0.35 0.20 2.02 -1.91 -0.00 112.91 114.85 3fxr h THR 245 Ca 0.54 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 3fxr h THR 245 Cb 0.89 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 3fxr h THR 245 CO -0.31 0.32 0.19 0.25 0.37 0.00 0.00 175.52 176.34 3fxr h LEU 246 N 0.99 0.43 -1.88 2.58 5.85 -1.61 0.23 115.31 121.90 3fxr h LEU 246 Ca 0.22 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3fxr h LEU 246 Cb 0.26 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 3fxr h LEU 246 CO -0.01 0.39 0.04 0.22 -0.34 0.00 0.00 178.44 178.74 3fxr h TYR 247 N 0.43 0.11 0.00 1.25 3.20 -1.06 -2.78 116.97 118.13 3fxr h TYR 247 Ca 0.12 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.91 3fxr h TYR 247 Cb 0.06 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 3fxr h TYR 247 CO -0.03 0.09 -1.38 0.39 -1.64 0.00 0.00 178.16 175.59 3fxr n GLU 248 N -4.51 0.62 -3.59 1.82 1.02 -0.04 -4.52 120.64 111.44 3fxr n GLU 248 Ca -0.02 0.11 -0.27 0.00 -0.02 0.00 0.00 57.16 56.96 3fxr n GLU 248 Cb 0.10 -1.76 -0.10 0.00 -0.02 0.00 0.00 31.44 29.65 3fxr n GLU 248 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3fxr n ARG 249 N -2.71 1.15 -4.25 3.49 1.74 0.76 -5.05 116.66 111.79 3fxr n ARG 249 Ca -0.06 -3.88 -0.14 0.00 -0.77 0.00 0.00 57.85 53.00 3fxr n ARG 249 Cb 0.70 -1.95 -0.10 0.00 -1.02 0.00 0.00 32.46 30.09 3fxr n ARG 249 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3fxr s ASN 250 N -0.94 0.67 0.00 0.55 2.20 -1.14 -4.65 114.94 111.63 3fxr s ASN 250 Ca 0.30 -1.37 0.25 0.00 -0.94 0.00 0.00 52.86 51.11 3fxr s ASN 250 Cb 0.03 0.27 1.10 0.00 -2.00 0.00 0.00 41.25 40.65 3fxr s ASN 250 CO -0.16 -0.78 1.82 0.00 -2.94 0.00 0.00 177.10 175.04 3fxr n ALA 251 N -0.35 2.17 -1.25 3.54 0.00 -1.26 -3.69 120.51 119.67 3fxr n ALA 251 Ca 0.00 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.42 3fxr n ALA 251 Cb 0.66 -1.41 0.19 0.00 0.00 0.00 0.00 19.45 18.88 3fxr n ALA 251 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3fxr n PHE 252 N -1.48 0.31 -0.17 0.00 3.72 -1.26 -4.86 117.46 113.73 3fxr n PHE 252 Ca 0.07 -1.19 -0.05 0.00 -0.05 0.00 0.00 57.45 56.22 3fxr n PHE 252 Cb 0.29 -0.25 0.01 0.00 -0.94 0.00 0.00 39.48 38.59 3fxr n PHE 252 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3fxr h LYS 253 N 0.70 -0.16 0.00 -1.08 1.57 -1.91 -0.18 116.57 115.51 3fxr h LYS 253 Ca 0.03 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3fxr h LYS 253 Cb 1.17 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3fxr h LYS 253 CO 0.09 -0.10 0.00 -0.40 -0.57 0.00 0.00 179.45 178.47 3fxr n ASP 254 N -5.42 0.00 -0.55 0.86 5.75 -1.26 -1.82 116.55 114.10 3fxr n ASP 254 Ca 0.04 -0.03 0.05 0.00 -0.01 0.00 0.00 54.79 54.84 3fxr n ASP 254 Cb 0.34 -0.20 0.11 0.00 -1.03 0.00 0.00 41.12 40.34 3fxr n ASP 254 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fxr n GLN 255 N -1.20 1.93 -4.42 0.11 6.02 -0.09 -4.93 117.38 114.79 3fxr n GLN 255 Ca 0.07 -1.68 -0.22 0.00 -0.01 0.00 0.00 57.00 55.16 3fxr n GLN 255 Cb 0.08 -1.24 -0.10 0.00 1.02 0.00 0.00 30.24 29.99 3fxr n GLN 255 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3fxr s LEU 256 N -0.96 2.57 0.09 1.08 1.43 -0.76 -0.95 118.68 121.18 3fxr s LEU 256 Ca 0.19 -1.07 0.02 0.00 -1.03 0.00 0.00 54.13 52.23 3fxr s LEU 256 Cb 0.11 -0.84 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 3fxr s LEU 256 CO 0.15 -0.13 -0.07 0.00 0.23 0.00 0.00 176.35 176.53 3fxr s SER 258 N -2.75 6.43 -0.63 0.00 1.04 -1.26 -0.90 113.70 115.62 3fxr s SER 258 Ca 0.07 0.52 0.00 0.00 0.48 0.00 0.00 55.95 57.03 3fxr s SER 258 Cb 0.02 -2.06 0.16 0.00 0.10 0.00 0.00 66.02 64.24 3fxr s SER 258 CO -0.04 -0.06 0.43 -0.63 0.98 0.00 0.00 173.24 173.93 3fxr s ILE 259 N -1.87 3.39 -0.37 -1.02 1.01 0.57 -4.92 121.20 117.98 3fxr s ILE 259 Ca 0.40 -3.31 -0.29 0.00 0.00 0.00 0.00 60.65 57.46 3fxr s ILE 259 Cb -0.11 -3.23 0.01 0.00 0.01 0.00 0.00 42.46 39.15 3fxr s ILE 259 CO 0.28 -0.89 1.22 -2.84 0.00 0.00 0.00 174.94 172.71 3fxr s PRO 260 N -0.42 3.84 0.11 2.79 0.02 -1.26 -4.50 135.00 135.57 3fxr s PRO 260 Ca 0.19 0.96 -0.08 0.00 0.02 0.00 0.00 61.00 62.10 3fxr s PRO 260 Cb -0.19 -3.88 -0.06 0.00 0.02 0.00 0.00 34.50 30.39 3fxr s PRO 260 CO -0.05 -1.22 0.39 -0.51 -0.33 0.00 0.00 177.00 175.29 3fxr s LEU 261 N 4.42 4.31 0.00 -5.54 1.43 -1.26 -4.68 118.68 117.35 3fxr s LEU 261 Ca 0.52 0.71 0.29 0.00 -1.03 0.00 0.00 54.13 54.62 3fxr s LEU 261 Cb -0.12 -3.13 1.28 0.00 0.03 0.00 0.00 46.19 44.24 3fxr s LEU 261 CO 0.25 0.12 1.95 1.67 0.23 0.00 0.00 176.35 180.56 3fxr n GLN 262 N 0.54 0.09 -2.78 1.70 7.27 0.05 -4.71 117.38 119.53 3fxr n GLN 262 Ca -0.05 -0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.67 3fxr n GLN 262 Cb 0.52 -1.50 -0.07 0.00 2.41 0.00 0.00 30.24 31.61 3fxr n GLN 262 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3fxr s ASP 263 N -2.92 7.01 -0.01 1.69 1.01 -1.24 -5.03 116.67 117.19 3fxr s ASP 263 Ca 0.17 1.76 -0.20 0.00 0.71 0.00 0.00 52.55 54.99 3fxr s ASP 263 Cb 0.19 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.52 3fxr s ASP 263 CO 0.52 -0.31 0.58 0.00 0.21 0.00 0.00 175.17 176.18 3fxr s ALA 264 N -1.99 3.49 0.35 5.23 0.00 -1.26 -5.01 121.76 122.58 3fxr s ALA 264 Ca 0.59 0.01 0.07 0.00 0.00 0.00 0.00 51.96 52.63 3fxr s ALA 264 Cb -0.13 -2.72 -0.01 0.00 0.00 0.00 0.00 23.12 20.26 3fxr s ALA 264 CO 0.17 0.17 0.45 -0.51 0.00 0.00 0.00 175.76 176.04 3fxr s LEU 265 N -0.18 3.85 0.82 0.00 1.43 -1.26 -5.05 118.68 118.30 3fxr s LEU 265 Ca 0.30 -0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 53.01 3fxr s LEU 265 Cb -0.18 -2.64 0.08 0.00 0.03 0.00 0.00 46.19 43.49 3fxr s LEU 265 CO 0.17 -0.47 1.09 -2.84 0.23 0.00 0.00 176.35 174.53 3fxr s PRO 266 N -4.17 1.93 -0.60 1.29 0.02 -1.26 -5.01 135.00 127.21 3fxr s PRO 266 Ca 0.46 0.70 0.02 0.00 0.02 0.00 0.00 61.00 62.21 3fxr s PRO 266 Cb -0.09 -1.90 0.15 0.00 0.02 0.00 0.00 34.50 32.69 3fxr s PRO 266 CO 0.31 -1.74 0.37 -0.80 -0.33 0.00 0.00 177.00 174.81 3fxr s ASN 267 N -3.78 4.70 -0.01 2.53 -0.87 -1.26 -4.13 114.94 112.11 3fxr s ASN 267 Ca 0.61 -3.20 -0.33 0.00 -1.57 0.00 0.00 52.86 48.37 3fxr s ASN 267 Cb -0.15 -1.70 -0.11 0.00 -0.02 0.00 0.00 41.25 39.26 3fxr s ASN 267 CO 0.55 -0.23 1.85 -2.65 -2.57 0.00 0.00 177.10 174.06 3fxr n PRO 268 N 2.90 2.36 -2.63 -0.60 -0.02 -1.24 -4.47 135.00 131.31 3fxr n PRO 268 Ca 0.09 0.86 -0.42 0.00 -2.02 0.00 0.00 63.50 62.01 3fxr n PRO 268 Cb 0.34 -2.72 -0.03 0.00 -0.02 0.00 0.00 33.50 31.07 3fxr n PRO 268 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3fxr s THR 269 N 3.58 4.65 -0.10 3.45 2.01 -1.26 -1.05 115.64 126.93 3fxr s THR 269 Ca 0.89 1.93 -0.22 0.00 0.31 0.00 0.00 61.69 64.61 3fxr s THR 269 Cb -0.62 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 67.61 3fxr s THR 269 CO 0.47 -0.01 0.63 -0.63 -0.69 0.00 0.00 174.62 174.39 3fxr s ILE 270 N 2.12 5.08 0.11 1.82 -1.09 -0.53 -2.21 121.20 126.51 3fxr s ILE 270 Ca 0.50 1.29 0.10 0.00 -2.23 0.00 0.00 60.65 60.30 3fxr s ILE 270 Cb -0.20 -3.97 -0.04 0.00 -1.58 0.00 0.00 42.46 36.67 3fxr s ILE 270 CO 0.18 0.25 -0.22 -0.31 -1.23 0.00 0.00 174.94 173.62 3fxr s TYR 271 N 0.90 2.44 -0.22 3.97 2.02 0.14 -0.14 117.35 126.46 3fxr s TYR 271 Ca 0.33 -0.31 -0.28 0.00 -0.37 0.00 0.00 57.07 56.44 3fxr s TYR 271 Cb -0.17 -1.32 0.00 0.00 -0.40 0.00 0.00 41.96 40.08 3fxr s TYR 271 CO 0.15 0.35 0.98 0.08 -1.57 0.00 0.00 175.55 175.54 3fxr s VAL 272 N -1.08 4.73 -0.11 0.71 1.01 0.65 -1.73 120.40 124.58 3fxr s VAL 272 Ca 0.16 1.91 0.03 0.00 0.00 0.00 0.00 61.98 64.07 3fxr s VAL 272 Cb -0.10 -4.26 -0.00 0.00 0.00 0.00 0.00 36.38 32.01 3fxr s VAL 272 CO 0.08 -0.14 -0.21 -0.76 0.00 0.00 0.00 175.10 174.07 3fxr s LEU 273 N 3.02 2.27 0.11 3.92 1.43 0.01 -1.81 118.68 127.63 3fxr s LEU 273 Ca 0.42 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 52.89 3fxr s LEU 273 Cb -0.15 -1.47 0.02 0.00 0.03 0.00 0.00 46.19 44.62 3fxr s LEU 273 CO 0.07 0.16 0.31 0.00 0.23 0.00 0.00 176.35 177.12 3fxr s ARG 274 N 0.36 0.96 0.07 1.70 1.70 -1.07 -0.99 118.95 121.68 3fxr s ARG 274 Ca -0.16 -0.79 -0.31 0.00 -0.47 0.00 0.00 55.73 54.00 3fxr s ARG 274 Cb -0.17 0.41 -0.06 0.00 -0.57 0.00 0.00 34.95 34.55 3fxr s ARG 274 CO 0.08 -0.35 1.32 0.50 -1.08 0.00 0.00 175.30 175.77 3fxr s ARG 275 N -3.75 4.35 0.36 3.89 3.52 -1.26 0.13 118.95 126.19 3fxr s ARG 275 Ca 0.03 1.93 0.19 0.00 -0.13 0.00 0.00 55.73 57.75 3fxr s ARG 275 Cb 0.03 -3.36 0.53 0.00 -1.56 0.00 0.00 34.95 30.59 3fxr s ARG 275 CO -0.11 -0.41 1.66 1.25 -0.81 0.00 0.00 175.30 176.88 3fxr h HIS 276 N 7.05 0.00 -0.14 5.12 -0.00 -1.65 -2.86 115.15 122.67 3fxr h HIS 276 Ca -0.41 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 59.95 3fxr h HIS 276 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.60 3fxr h HIS 276 CO 0.68 0.39 0.01 -0.44 -0.00 0.00 0.00 177.93 178.58 3fxr h ASP 277 N 0.00 0.17 -3.05 3.26 3.45 -1.93 -3.45 116.42 114.88 3fxr h ASP 277 Ca -0.00 -0.01 -0.53 0.00 0.43 0.00 0.00 57.03 56.91 3fxr h ASP 277 Cb 1.03 -0.04 0.02 0.00 -0.56 0.00 0.00 39.33 39.77 3fxr h ASP 277 CO 0.05 0.20 0.69 -0.76 -1.57 0.00 0.00 179.24 177.85 3fxr s LEU 278 N -9.05 4.37 0.25 1.55 1.43 -1.08 -5.01 118.68 111.13 3fxr s LEU 278 Ca -0.06 2.27 -0.30 0.00 -1.03 0.00 0.00 54.13 55.01 3fxr s LEU 278 Cb 0.17 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.71 3fxr s LEU 278 CO 0.70 -0.61 1.34 -2.84 0.23 0.00 0.00 176.35 175.16 3fxr s PRO 279 N 1.07 4.36 -0.15 1.29 0.02 -1.26 -4.97 135.00 135.35 3fxr s PRO 279 Ca 0.63 2.15 -0.13 0.00 0.02 0.00 0.00 61.00 63.68 3fxr s PRO 279 Cb -0.35 -3.14 -0.05 0.00 0.02 0.00 0.00 34.50 30.98 3fxr s PRO 279 CO 0.30 -0.26 0.26 0.08 -0.33 0.00 0.00 177.00 177.05 3fxr s VAL 280 N -0.27 5.32 0.47 3.83 1.01 -1.26 -5.08 120.40 124.42 3fxr s VAL 280 Ca 0.55 0.48 -0.23 0.00 0.00 0.00 0.00 61.98 62.79 3fxr s VAL 280 Cb -0.39 -3.59 -0.07 0.00 0.00 0.00 0.00 36.38 32.33 3fxr s VAL 280 CO 0.43 0.43 1.18 0.42 0.00 0.00 0.00 175.10 177.56 3fxr s THR 281 N 0.22 3.04 0.28 3.92 -4.23 -1.26 -4.86 115.64 112.75 3fxr s THR 281 Ca 0.16 0.77 -0.01 0.00 -1.18 0.00 0.00 61.69 61.43 3fxr s THR 281 Cb -0.13 -3.39 0.33 0.00 1.34 0.00 0.00 72.50 70.66 3fxr s THR 281 CO 0.04 -0.02 1.62 -0.65 -0.54 0.00 0.00 174.62 175.07 3fxr h PRO 282 N 1.96 0.11 -0.53 3.99 0.11 -1.98 -0.86 132.00 134.80 3fxr h PRO 282 Ca -0.49 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3fxr h PRO 282 Cb 1.25 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3fxr h PRO 282 CO 0.60 0.07 0.22 0.00 -0.21 0.00 0.00 178.00 178.68 3fxr h ALA 283 N 1.82 0.69 -0.26 -0.75 0.00 -1.92 -0.56 119.26 118.28 3fxr h ALA 283 Ca 0.53 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.31 3fxr h ALA 283 Cb 1.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3fxr h ALA 283 CO -0.74 0.28 0.12 0.00 0.00 0.00 0.00 179.25 178.91 3fxr h ALA 284 N 1.07 0.31 -0.70 0.00 0.00 -1.60 0.20 119.26 118.54 3fxr h ALA 284 Ca 0.18 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3fxr h ALA 284 Cb 0.18 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3fxr h ALA 284 CO -0.02 -0.28 0.40 0.00 0.00 0.00 0.00 179.25 179.35 3fxr h ALA 285 N 1.14 1.38 -0.10 0.00 0.00 -1.15 -2.21 119.26 118.31 3fxr h ALA 285 Ca 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3fxr h ALA 285 Cb 0.04 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3fxr h ALA 285 CO -0.08 0.52 0.03 0.78 0.00 0.00 0.00 179.25 180.50 3fxr h GLY 286 N 1.01 0.18 0.90 0.00 0.00 -0.13 -1.29 103.07 103.74 3fxr h GLY 286 Ca 0.25 -0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.51 3fxr h GLY 286 CO -0.04 0.10 0.56 -2.00 0.00 0.00 0.00 176.54 175.16 3fxr h LEU 287 N -0.02 0.94 -0.12 3.11 5.85 -0.50 -1.48 115.31 123.10 3fxr h LEU 287 Ca 0.03 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3fxr h LEU 287 Cb 0.21 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3fxr h LEU 287 CO -0.00 0.65 0.08 0.40 -0.34 0.00 0.00 178.44 179.23 3fxr h ILE 288 N 1.10 1.04 -0.69 4.05 2.04 -1.21 -0.10 117.51 123.74 3fxr h ILE 288 Ca 0.34 -0.07 0.12 0.00 1.00 0.00 0.00 64.86 66.25 3fxr h ILE 288 Cb -0.02 0.87 -0.09 0.00 -0.74 0.00 0.00 36.82 36.85 3fxr h ILE 288 CO -0.11 0.03 0.26 0.03 0.00 0.00 0.00 178.15 178.36 3fxr h ARG 289 N 0.16 0.40 -0.33 2.37 3.08 -0.80 0.43 114.38 119.70 3fxr h ARG 289 Ca 0.04 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 3fxr h ARG 289 Cb -0.01 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3fxr h ARG 289 CO -0.01 0.27 -0.15 -1.49 -1.07 0.00 0.00 179.97 177.52 3fxr h TRP 290 N 0.42 0.78 -0.37 3.04 4.06 -0.92 0.23 115.95 123.18 3fxr h TRP 290 Ca 0.36 -0.19 -0.01 0.00 2.06 0.00 0.00 58.89 61.12 3fxr h TRP 290 Cb 0.51 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 28.47 3fxr h TRP 290 CO -0.18 0.89 0.21 0.82 -3.56 0.00 0.00 178.44 176.62 3fxr h ILE 291 N 0.45 1.14 -0.36 1.49 2.04 -0.66 -2.16 117.51 119.44 3fxr h ILE 291 Ca 0.07 -0.34 0.07 0.00 1.00 0.00 0.00 64.86 65.67 3fxr h ILE 291 Cb 0.67 0.69 -0.07 0.00 -0.74 0.00 0.00 36.82 37.37 3fxr h ILE 291 CO 0.05 0.14 -0.12 -0.61 0.00 0.00 0.00 178.15 177.61 3fxr h GLN 292 N 0.48 -0.04 -0.85 2.37 5.75 -0.02 -0.79 115.11 122.02 3fxr h GLN 292 Ca 0.13 0.00 0.18 0.00 -0.15 0.00 0.00 58.65 58.81 3fxr h GLN 292 Cb 0.04 0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.53 3fxr h GLN 292 CO -0.02 -0.02 0.56 1.25 -2.65 0.00 0.00 178.83 177.94 3fxr h HIS 293 N -0.04 0.52 -0.69 3.99 2.76 -0.12 0.19 115.15 121.76 3fxr h HIS 293 Ca 0.18 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 3fxr h HIS 293 Cb 0.31 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.10 3fxr h HIS 293 CO -0.35 0.16 0.00 0.72 -1.30 0.00 0.00 177.93 177.16 3fxr n HIS 294 N -4.50 0.97 -2.42 5.26 8.25 -0.55 -4.28 115.22 117.95 3fxr n HIS 294 Ca 0.17 -0.47 -0.28 0.00 -0.26 0.00 0.00 57.72 56.88 3fxr n HIS 294 Cb 0.63 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.72 3fxr n HIS 294 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fxr n ALA 295 N 1.49 5.17 0.87 -1.41 0.00 0.67 -4.48 120.51 122.83 3fxr n ALA 295 Ca 0.23 -4.29 0.10 0.00 0.00 0.00 0.00 53.44 49.49 3fxr n ALA 295 Cb 0.61 -0.64 0.09 0.00 0.00 0.00 0.00 19.45 19.51 3fxr n ALA 295 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78