#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fyx s LYS 2 N 0.00 2.63 -0.13 0.03 1.02 0.88 -4.93 119.74 119.25 2fyx s LYS 2 Ca 0.00 -1.05 0.02 0.00 0.02 0.00 0.00 55.97 54.96 2fyx s LYS 2 Cb 0.00 -2.46 0.01 0.00 -0.52 0.00 0.00 37.83 34.86 2fyx s LYS 2 CO 0.00 0.45 -0.19 -1.59 -0.92 0.00 0.00 175.35 173.10 2fyx s LYS 3 N -3.17 2.63 0.00 1.68 0.00 -1.26 -1.02 119.74 118.61 2fyx s LYS 3 Ca 0.30 -0.71 0.00 0.00 0.00 0.00 0.00 55.97 55.55 2fyx s LYS 3 Cb -0.09 -2.17 0.00 0.00 0.00 0.00 0.00 37.83 35.57 2fyx s LYS 3 CO 0.21 -0.04 0.00 0.41 0.00 0.00 0.00 175.35 175.93 2fyx n GLY 4 N 4.14 4.10 3.53 0.59 0.00 0.75 -5.00 105.19 113.30 2fyx n GLY 4 Ca -0.19 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.30 2fyx n GLY 4 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2fyx s ARG 5 N -0.32 3.25 0.00 1.61 3.52 -1.26 -3.18 118.95 122.57 2fyx s ARG 5 Ca 0.00 -0.51 0.00 0.00 -0.13 0.00 0.00 55.73 55.09 2fyx s ARG 5 Cb 0.00 -4.39 0.00 0.00 -1.56 0.00 0.00 34.95 29.00 2fyx s ARG 5 CO 0.00 -2.10 0.00 0.41 -0.81 0.00 0.00 175.30 172.80 2fyx n GLY 6 N 5.60 0.78 3.47 8.12 0.00 -1.26 -5.06 105.19 116.85 2fyx n GLY 6 Ca 0.07 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 2fyx n GLY 6 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2fyx s TYR 7 N -2.00 -0.58 -0.00 1.61 1.13 -1.19 -5.15 117.35 111.18 2fyx s TYR 7 Ca 0.00 0.68 0.07 0.00 -1.41 0.00 0.00 57.07 56.42 2fyx s TYR 7 Cb 0.00 0.49 -0.02 0.00 -1.10 0.00 0.00 41.96 41.33 2fyx s TYR 7 CO 0.00 -0.71 -0.22 0.08 -2.51 0.00 0.00 175.55 172.18 2fyx s VAL 8 N -2.51 1.76 0.07 -3.49 1.01 -1.26 -0.18 120.40 115.80 2fyx s VAL 8 Ca -0.04 -1.03 -0.24 0.00 0.00 0.00 0.00 61.98 60.67 2fyx s VAL 8 Cb -0.01 -1.48 0.06 0.00 0.00 0.00 0.00 36.38 34.95 2fyx s VAL 8 CO -0.02 0.43 0.57 -0.72 0.00 0.00 0.00 175.10 175.35 2fyx s TYR 9 N -0.60 -0.49 -0.21 5.22 1.13 -0.19 -4.98 117.35 117.23 2fyx s TYR 9 Ca 0.09 0.50 -0.04 0.00 -1.41 0.00 0.00 57.07 56.20 2fyx s TYR 9 Cb -0.09 0.42 0.11 0.00 -1.10 0.00 0.00 41.96 41.31 2fyx s TYR 9 CO -0.00 -0.71 0.38 0.21 -2.51 0.00 0.00 175.55 172.91 2fyx s LYS 10 N -2.77 0.31 -0.12 -3.49 2.20 -1.26 -0.08 119.74 114.53 2fyx s LYS 10 Ca -0.04 0.73 -0.01 0.00 -0.36 0.00 0.00 55.97 56.29 2fyx s LYS 10 Cb -0.00 -0.17 0.03 0.00 -1.51 0.00 0.00 37.83 36.18 2fyx s LYS 10 CO -0.04 -0.47 -0.04 -0.51 -0.36 0.00 0.00 175.35 173.93 2fyx s LEU 11 N 2.55 1.12 -0.02 5.43 1.43 -1.26 -5.07 118.68 122.86 2fyx s LEU 11 Ca 0.06 -0.38 0.05 0.00 -1.03 0.00 0.00 54.13 52.83 2fyx s LEU 11 Cb -0.14 -0.72 -0.01 0.00 0.03 0.00 0.00 46.19 45.35 2fyx s LEU 11 CO -0.14 -0.17 -0.15 -1.61 0.23 0.00 0.00 176.35 174.51 2fyx s GLU 12 N 1.78 1.29 -0.07 1.70 2.02 -1.26 -1.30 118.70 122.86 2fyx s GLU 12 Ca 0.03 -0.54 0.03 0.00 0.02 0.00 0.00 54.97 54.51 2fyx s GLU 12 Cb -0.14 -1.23 0.01 0.00 0.10 0.00 0.00 34.13 32.88 2fyx s GLU 12 CO -0.07 0.31 -0.14 0.71 0.02 0.00 0.00 175.26 176.09 2fyx s TYR 13 N -0.28 1.57 0.01 1.61 2.02 0.19 -4.49 117.35 117.98 2fyx s TYR 13 Ca 0.04 -0.58 -0.30 0.00 -0.37 0.00 0.00 57.07 55.86 2fyx s TYR 13 Cb -0.07 -1.13 -0.03 0.00 -0.40 0.00 0.00 41.96 40.33 2fyx s TYR 13 CO -0.00 -0.28 1.02 -1.01 -1.57 0.00 0.00 175.55 173.71 2fyx s HIS 14 N 0.59 3.61 -0.07 2.71 3.76 0.24 -0.92 115.29 125.21 2fyx s HIS 14 Ca -0.14 1.62 0.00 0.00 -0.15 0.00 0.00 55.06 56.39 2fyx s HIS 14 Cb -0.16 -3.18 0.02 0.00 1.11 0.00 0.00 32.58 30.38 2fyx s HIS 14 CO 0.04 -0.27 -0.05 -1.17 -0.85 0.00 0.00 174.74 172.44 2fyx s LEU 15 N 1.05 1.13 -0.01 0.89 2.96 0.68 -0.99 118.68 124.39 2fyx s LEU 15 Ca 0.53 -0.18 0.04 0.00 -0.22 0.00 0.00 54.13 54.30 2fyx s LEU 15 Cb -0.23 -0.60 -0.01 0.00 0.50 0.00 0.00 46.19 45.86 2fyx s LEU 15 CO 0.28 -0.10 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.46 2fyx s ILE 16 N 1.38 1.02 0.07 6.68 1.09 0.26 -0.14 121.20 131.56 2fyx s ILE 16 Ca -0.03 -0.54 -0.21 0.00 -1.10 0.00 0.00 60.65 58.77 2fyx s ILE 16 Cb -0.13 -0.86 0.05 0.00 -1.06 0.00 0.00 42.46 40.46 2fyx s ILE 16 CO -0.03 0.29 0.49 -1.66 -0.10 0.00 0.00 174.94 173.94 2fyx s TRP 17 N -0.22 -0.38 0.31 3.97 -2.14 -0.97 -0.29 118.94 119.22 2fyx s TRP 17 Ca 0.03 0.32 0.07 0.00 2.66 0.00 0.00 56.10 59.19 2fyx s TRP 17 Cb -0.06 0.34 -0.03 0.00 -3.10 0.00 0.00 33.47 30.62 2fyx s TRP 17 CO -0.00 -0.67 0.25 0.00 -2.66 0.00 0.00 176.95 173.87 2fyx s ALA 18 N -2.83 3.72 0.81 2.67 0.00 -1.26 -0.76 121.76 124.11 2fyx s ALA 18 Ca -0.03 -1.60 -0.11 0.00 0.00 0.00 0.00 51.96 50.22 2fyx s ALA 18 Cb -0.00 -1.17 0.08 0.00 0.00 0.00 0.00 23.12 22.03 2fyx s ALA 18 CO -0.05 0.09 1.09 0.95 0.00 0.00 0.00 175.76 177.84 2fyx s THR 19 N -2.27 3.14 0.16 0.00 -4.23 0.01 -0.92 115.64 111.54 2fyx s THR 19 Ca 0.38 0.37 -0.32 0.00 -1.18 0.00 0.00 61.69 60.95 2fyx s THR 19 Cb -0.06 -2.86 -0.10 0.00 1.34 0.00 0.00 72.50 70.82 2fyx s THR 19 CO 0.26 -0.49 1.67 -0.54 -0.54 0.00 0.00 174.62 174.98 2fyx s LYS 20 N -4.91 4.17 -1.69 3.99 1.02 0.17 -1.42 119.74 121.07 2fyx s LYS 20 Ca 0.62 2.47 0.00 0.00 0.02 0.00 0.00 55.97 59.08 2fyx s LYS 20 Cb -0.17 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 33.89 2fyx s LYS 20 CO 0.56 -0.71 0.00 0.66 -0.92 0.00 0.00 175.35 174.95 2fyx n TYR 21 N 4.44 0.00 -3.24 3.18 4.01 -1.26 -1.57 117.16 122.71 2fyx n TYR 21 Ca 0.15 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.67 2fyx n TYR 21 Cb 0.38 -3.01 0.00 0.00 -0.31 0.00 0.00 39.34 36.40 2fyx n TYR 21 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2fyx n ARG 22 N -1.87 -3.67 -1.72 -0.72 1.74 -0.51 -2.64 116.66 107.26 2fyx n ARG 22 Ca -0.16 0.57 -0.42 0.00 -0.77 0.00 0.00 57.85 57.07 2fyx n ARG 22 Cb 0.61 -5.31 -0.03 0.00 -1.02 0.00 0.00 32.46 26.71 2fyx n ARG 22 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2fyx s HIS 23 N -2.97 2.89 -1.33 -1.55 2.46 -0.61 -4.74 115.29 109.45 2fyx s HIS 23 Ca 0.36 0.36 -0.10 0.00 0.47 0.00 0.00 55.06 56.15 2fyx s HIS 23 Cb -0.18 -4.15 0.13 0.00 -0.13 0.00 0.00 32.58 28.25 2fyx s HIS 23 CO 0.44 -4.31 2.02 1.04 -2.47 0.00 0.00 174.74 171.46 2fyx n GLN 24 N 3.86 3.56 -0.00 2.88 6.02 -1.26 -4.39 117.38 128.05 2fyx n GLN 24 Ca 0.15 -3.31 0.10 0.00 -0.01 0.00 0.00 57.00 53.93 2fyx n GLN 24 Cb 0.35 -2.96 -0.13 0.00 1.02 0.00 0.00 30.24 28.51 2fyx n GLN 24 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2fyx n VAL 25 N 3.53 0.00 -2.46 5.09 0.24 -0.81 -4.72 118.33 119.19 2fyx n VAL 25 Ca 0.45 -0.26 -0.43 0.00 -2.04 0.00 0.00 64.34 62.06 2fyx n VAL 25 Cb 0.35 0.49 0.00 0.00 -1.47 0.00 0.00 33.84 33.22 2fyx n VAL 25 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2fyx n LEU 26 N -1.85 6.23 -4.18 1.34 4.77 -0.36 -4.71 117.00 118.24 2fyx n LEU 26 Ca -0.00 -4.53 -0.17 0.00 -0.03 0.00 0.00 56.01 51.27 2fyx n LEU 26 Cb 0.42 -1.54 -0.12 0.00 -2.33 0.00 0.00 43.42 39.85 2fyx n LEU 26 CO 0.41 1.14 -0.45 0.68 -1.33 0.00 0.00 177.39 177.84 2fyx s VAL 27 N 1.06 1.10 0.00 4.08 -7.23 -1.26 -3.84 120.40 114.30 2fyx s VAL 27 Ca 0.42 -1.44 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 2fyx s VAL 27 Cb 0.07 -1.19 0.00 0.00 0.56 0.00 0.00 36.38 35.81 2fyx s VAL 27 CO -0.00 -0.33 0.00 0.47 -0.31 0.00 0.00 175.10 174.93 2fyx n ASP 28 N 1.01 0.00 0.27 4.85 8.00 -1.26 -1.17 116.55 128.24 2fyx n ASP 28 Ca -0.19 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.44 2fyx n ASP 28 Cb 0.55 0.00 0.74 0.00 -0.02 0.00 0.00 41.12 42.40 2fyx n ASP 28 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2fyx h GLU 29 N 0.00 0.00 -0.06 -1.24 9.09 -1.97 -0.47 114.58 119.93 2fyx h GLU 29 Ca 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.38 2fyx h GLU 29 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2fyx h GLU 29 CO 0.00 0.11 -0.08 0.28 0.05 0.00 0.00 179.01 179.37 2fyx h VAL 30 N 0.00 1.39 -0.66 -1.06 2.07 -1.47 0.12 116.25 116.64 2fyx h VAL 30 Ca -0.00 -1.30 0.01 0.00 0.82 0.00 0.00 66.70 66.23 2fyx h VAL 30 Cb 0.31 2.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 2fyx h VAL 30 CO 0.01 0.36 0.43 0.00 0.02 0.00 0.00 177.57 178.39 2fyx h ALA 31 N 0.52 0.84 -0.70 1.67 0.00 -1.06 -1.01 119.26 119.53 2fyx h ALA 31 Ca 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2fyx h ALA 31 Cb 0.62 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2fyx h ALA 31 CO 0.02 0.24 0.36 -0.44 0.00 0.00 0.00 179.25 179.43 2fyx h ASP 32 N 0.87 0.90 -0.58 0.00 3.32 -0.93 -2.16 116.42 117.84 2fyx h ASP 32 Ca 0.25 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 2fyx h ASP 32 Cb -0.07 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 2fyx h ASP 32 CO -0.07 0.76 0.05 1.23 -1.72 0.00 0.00 179.24 179.50 2fyx h GLY 33 N 0.97 1.06 1.07 2.75 0.00 -0.50 -2.87 103.07 105.56 2fyx h GLY 33 Ca 0.24 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 2fyx h GLY 33 CO -0.03 0.69 0.53 -2.00 0.00 0.00 0.00 176.54 175.72 2fyx h LEU 34 N 0.88 1.09 -0.55 3.11 5.85 -0.94 -0.43 115.31 124.32 2fyx h LEU 34 Ca 0.17 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2fyx h LEU 34 Cb 0.48 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2fyx h LEU 34 CO 0.02 0.85 0.30 0.11 -0.34 0.00 0.00 178.44 179.38 2fyx h LYS 35 N 1.25 0.77 -0.27 1.25 1.57 -1.21 0.15 116.57 120.08 2fyx h LYS 35 Ca 0.32 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 2fyx h LYS 35 Cb -0.03 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 2fyx h LYS 35 CO -0.06 0.59 0.12 -0.44 -0.57 0.00 0.00 179.45 179.09 2fyx h ASP 36 N 0.74 0.37 -0.24 0.86 3.32 -1.22 -0.93 116.42 119.32 2fyx h ASP 36 Ca 0.19 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 57.12 2fyx h ASP 36 Cb 0.05 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 2fyx h ASP 36 CO -0.03 0.42 0.07 0.40 -1.72 0.00 0.00 179.24 178.38 2fyx h ILE 37 N 0.30 0.93 -0.82 0.35 2.04 -0.83 -1.91 117.51 117.58 2fyx h ILE 37 Ca 0.09 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 2fyx h ILE 37 Cb 0.16 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 2fyx h ILE 37 CO -0.01 0.03 0.38 -0.07 0.00 0.00 0.00 178.15 178.48 2fyx h LEU 38 N 0.18 1.08 -0.48 1.44 3.38 -0.56 -0.15 115.31 120.20 2fyx h LEU 38 Ca 0.11 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.98 2fyx h LEU 38 Cb 0.08 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 2fyx h LEU 38 CO -0.12 0.92 0.23 0.03 0.09 0.00 0.00 178.44 179.59 2fyx h ARG 39 N 1.16 0.44 -0.37 1.13 3.08 -1.01 -0.29 114.38 118.52 2fyx h ARG 39 Ca 0.28 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.26 2fyx h ARG 39 Cb 0.14 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2fyx h ARG 39 CO -0.03 0.29 0.05 0.22 -1.07 0.00 0.00 179.97 179.42 2fyx h ASP 40 N 0.45 0.59 -0.56 7.04 3.58 -0.96 -2.30 116.42 124.26 2fyx h ASP 40 Ca 0.21 -0.27 -0.11 0.00 0.42 0.00 0.00 57.03 57.28 2fyx h ASP 40 Cb 0.14 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 2fyx h ASP 40 CO -0.16 0.72 -0.09 0.40 -2.88 0.00 0.00 179.24 177.22 2fyx h ILE 41 N 0.45 1.27 0.10 2.25 2.04 -0.74 -0.33 117.51 122.55 2fyx h ILE 41 Ca 0.11 -1.25 0.01 0.00 1.00 0.00 0.00 64.86 64.73 2fyx h ILE 41 Cb 0.38 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 2fyx h ILE 41 CO 0.01 0.45 -0.18 0.00 0.00 0.00 0.00 178.15 178.42 2fyx h ALA 42 N 0.94 -0.31 -0.42 1.87 0.00 -0.97 -1.26 119.26 119.11 2fyx h ALA 42 Ca 0.15 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.09 2fyx h ALA 42 Cb 0.66 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 2fyx h ALA 42 CO 0.05 -0.71 0.11 1.15 0.00 0.00 0.00 179.25 179.84 2fyx h THR 43 N -0.35 0.81 0.00 0.00 2.02 -1.20 0.35 112.91 114.54 2fyx h THR 43 Ca 0.02 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 2fyx h THR 43 Cb 0.37 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2fyx h THR 43 CO -0.10 0.05 -0.01 1.56 0.37 0.00 0.00 175.52 177.39 2fyx h GLN 44 N 0.25 0.00 -0.53 6.66 4.20 -0.74 -1.33 115.11 123.62 2fyx h GLN 44 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2fyx h GLN 44 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2fyx h GLN 44 CO -0.24 0.01 0.00 0.09 -0.67 0.00 0.00 178.83 178.02 2fyx n ASN 45 N -3.12 4.54 -0.85 1.46 3.02 -0.51 -4.95 115.26 114.87 2fyx n ASN 45 Ca -0.01 -2.59 -0.09 0.00 -0.03 0.00 0.00 54.58 51.86 2fyx n ASN 45 Cb 0.20 -0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 38.81 2fyx n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fyx n GLY 46 N 0.65 0.51 3.80 7.41 0.00 -0.50 -5.02 105.19 112.03 2fyx n GLY 46 Ca 0.24 -0.57 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 2fyx n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fyx s LEU 47 N -2.29 3.80 -0.26 0.99 1.43 0.03 -4.81 118.68 117.58 2fyx s LEU 47 Ca 0.00 -0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 52.86 2fyx s LEU 47 Cb 0.00 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 2fyx s LEU 47 CO 0.00 0.06 0.14 -0.70 0.23 0.00 0.00 176.35 176.07 2fyx s GLU 48 N -3.19 3.86 -0.77 1.70 2.12 -0.45 -3.59 118.70 118.37 2fyx s GLU 48 Ca 0.31 -0.37 -0.23 0.00 0.36 0.00 0.00 54.97 55.04 2fyx s GLU 48 Cb -0.10 -3.50 0.07 0.00 0.26 0.00 0.00 34.13 30.86 2fyx s GLU 48 CO 0.23 -0.13 1.11 -1.17 -0.54 0.00 0.00 175.26 174.76 2fyx s LEU 49 N 1.56 4.20 0.08 2.70 2.96 -1.26 -0.30 118.68 128.62 2fyx s LEU 49 Ca 0.07 -1.16 -0.16 0.00 -0.22 0.00 0.00 54.13 52.66 2fyx s LEU 49 Cb -0.15 -2.46 -0.11 0.00 0.50 0.00 0.00 46.19 43.97 2fyx s LEU 49 CO 0.07 -1.45 1.37 0.58 -1.32 0.00 0.00 176.35 175.61 2fyx h VAL 50 N 6.05 1.32 -3.12 1.68 2.07 -0.76 -3.46 116.25 120.03 2fyx h VAL 50 Ca -0.14 -1.53 -0.06 0.00 0.82 0.00 0.00 66.70 65.80 2fyx h VAL 50 Cb 1.05 1.74 -0.14 0.00 -1.52 0.00 0.00 31.29 32.42 2fyx h VAL 50 CO 1.21 0.48 -0.02 0.00 0.02 0.00 0.00 177.57 179.26 2fyx s ALA 51 N -4.21 -1.12 -0.10 1.67 0.00 -1.05 -4.98 121.76 111.97 2fyx s ALA 51 Ca -0.12 0.24 -0.08 0.00 0.00 0.00 0.00 51.96 52.00 2fyx s ALA 51 Cb 0.08 0.57 0.03 0.00 0.00 0.00 0.00 23.12 23.79 2fyx s ALA 51 CO 0.82 -0.58 0.26 -1.17 0.00 0.00 0.00 175.76 175.09 2fyx s LEU 52 N -2.42 0.83 -0.02 0.00 2.96 -1.26 -0.47 118.68 118.30 2fyx s LEU 52 Ca -0.01 0.53 0.04 0.00 -0.22 0.00 0.00 54.13 54.46 2fyx s LEU 52 Cb 0.00 0.85 -0.00 0.00 0.50 0.00 0.00 46.19 47.54 2fyx s LEU 52 CO -0.08 -0.11 -0.13 -1.83 -1.32 0.00 0.00 176.35 172.89 2fyx s GLU 53 N 0.47 1.22 -0.23 1.98 -1.05 0.37 -5.01 118.70 116.45 2fyx s GLU 53 Ca -0.03 -0.45 -0.01 0.00 -0.15 0.00 0.00 54.97 54.34 2fyx s GLU 53 Cb -0.04 -1.13 0.02 0.00 -0.44 0.00 0.00 34.13 32.54 2fyx s GLU 53 CO -0.02 0.21 -0.10 0.08 0.95 0.00 0.00 175.26 176.38 2fyx s VAL 54 N -0.03 2.66 0.38 1.83 1.01 -1.26 -0.88 120.40 124.11 2fyx s VAL 54 Ca -0.00 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.07 2fyx s VAL 54 Cb -0.08 -2.29 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 2fyx s VAL 54 CO 0.01 0.30 0.50 -0.04 0.00 0.00 0.00 175.10 175.87 2fyx s MET 55 N 1.32 2.93 0.50 2.72 1.00 0.20 -5.00 119.30 122.96 2fyx s MET 55 Ca 0.01 -1.17 0.20 0.00 0.00 0.00 0.00 55.69 54.74 2fyx s MET 55 Cb -0.16 -2.74 1.27 0.00 0.00 0.00 0.00 34.83 33.20 2fyx s MET 55 CO -0.07 -0.10 2.02 -1.35 0.00 0.00 0.00 175.02 175.52 2fyx h PRO 56 N 0.81 0.11 0.00 2.03 0.11 -1.94 -2.96 132.00 130.16 2fyx h PRO 56 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2fyx h PRO 56 Cb 1.27 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2fyx h PRO 56 CO 0.50 0.07 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 2fyx n ASP 57 N -4.43 1.63 -3.62 -2.05 5.75 -1.26 -1.23 116.55 111.33 2fyx n ASP 57 Ca 0.08 -1.69 -0.09 0.00 -0.01 0.00 0.00 54.79 53.07 2fyx n ASP 57 Cb 0.45 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.52 2fyx n ASP 57 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 2fyx s TYR 58 N -0.69 -0.34 0.06 2.11 1.13 -1.12 -0.81 117.35 117.69 2fyx s TYR 58 Ca 0.00 0.04 0.09 0.00 -1.41 0.00 0.00 57.07 55.79 2fyx s TYR 58 Cb 0.00 0.62 -0.03 0.00 -1.10 0.00 0.00 41.96 41.45 2fyx s TYR 58 CO 0.00 -0.94 -0.25 0.14 -2.51 0.00 0.00 175.55 171.99 2fyx s VAL 59 N -3.66 2.00 -0.17 -3.49 -7.23 0.06 0.58 120.40 108.48 2fyx s VAL 59 Ca 0.06 -1.39 -0.02 0.00 -1.81 0.00 0.00 61.98 58.83 2fyx s VAL 59 Cb -0.03 -1.73 0.05 0.00 0.56 0.00 0.00 36.38 35.24 2fyx s VAL 59 CO -0.04 0.27 0.01 -2.28 -0.31 0.00 0.00 175.10 172.75 2fyx s HIS 60 N -0.85 1.16 0.03 2.82 5.04 -0.06 -2.30 115.29 121.14 2fyx s HIS 60 Ca 0.11 -0.84 0.01 0.00 -1.54 0.00 0.00 55.06 52.80 2fyx s HIS 60 Cb -0.10 -1.07 -0.04 0.00 0.04 0.00 0.00 32.58 31.41 2fyx s HIS 60 CO 0.03 -0.58 0.06 -0.51 -2.34 0.00 0.00 174.74 171.40 2fyx s LEU 61 N 1.81 3.78 -0.21 8.88 1.02 0.80 -0.48 118.68 134.29 2fyx s LEU 61 Ca -0.00 0.05 -0.01 0.00 0.02 0.00 0.00 54.13 54.19 2fyx s LEU 61 Cb -0.16 -2.31 0.02 0.00 0.02 0.00 0.00 46.19 43.75 2fyx s LEU 61 CO -0.07 0.23 -0.13 -0.22 0.02 0.00 0.00 176.35 176.18 2fyx s LEU 62 N -1.98 2.57 -0.12 1.79 2.96 0.38 -0.23 118.68 124.05 2fyx s LEU 62 Ca 0.25 -0.66 0.02 0.00 -0.22 0.00 0.00 54.13 53.52 2fyx s LEU 62 Cb -0.12 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 44.99 2fyx s LEU 62 CO 0.17 -0.04 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.22 2fyx s LEU 63 N 1.33 2.39 -0.12 -0.68 1.43 -0.09 0.02 118.68 122.96 2fyx s LEU 63 Ca 0.04 -0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 52.54 2fyx s LEU 63 Cb -0.14 -1.51 -0.05 0.00 0.03 0.00 0.00 46.19 44.52 2fyx s LEU 63 CO -0.09 0.14 0.33 -0.83 0.23 0.00 0.00 176.35 176.14 2fyx s GLY 64 N 0.46 2.28 0.28 -3.19 0.00 0.59 -0.64 107.32 107.10 2fyx s GLY 64 Ca -0.13 -0.39 0.02 0.00 0.00 0.00 0.00 44.72 44.22 2fyx s GLY 64 CO 0.05 0.36 0.11 0.00 0.00 0.00 0.00 173.10 173.62 2fyx s ALA 65 N 0.08 1.85 0.23 3.20 0.00 -0.42 -1.35 121.76 125.36 2fyx s ALA 65 Ca 0.19 -1.84 0.05 0.00 0.00 0.00 0.00 51.96 50.36 2fyx s ALA 65 Cb -0.14 1.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.98 2fyx s ALA 65 CO 0.07 -0.45 0.33 0.95 0.00 0.00 0.00 175.76 176.65 2fyx s THR 66 N -3.68 5.14 0.44 0.00 -4.23 -1.26 -4.05 115.64 108.00 2fyx s THR 66 Ca 0.37 -1.03 0.16 0.00 -1.18 0.00 0.00 61.69 60.01 2fyx s THR 66 Cb 0.07 -3.78 0.35 0.00 1.34 0.00 0.00 72.50 70.48 2fyx s THR 66 CO 0.14 -0.32 1.95 -0.65 -0.54 0.00 0.00 174.62 175.21 2fyx h PRO 67 N 1.29 0.36 0.00 3.99 0.11 -1.99 -1.89 132.00 133.87 2fyx h PRO 67 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2fyx h PRO 67 Cb 1.23 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2fyx h PRO 67 CO 0.61 0.23 0.00 1.04 -0.21 0.00 0.00 178.00 179.68 2fyx n GLN 68 N -4.46 0.08 -2.35 1.05 3.00 -1.26 -4.77 117.38 108.66 2fyx n GLN 68 Ca 0.12 0.08 -0.41 0.00 -0.01 0.00 0.00 57.00 56.78 2fyx n GLN 68 Cb 0.48 -1.60 -0.03 0.00 0.00 0.00 0.00 30.24 29.09 2fyx n GLN 68 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 2fyx s HIS 69 N -3.04 3.40 -0.25 1.08 3.76 -0.71 -5.00 115.29 114.53 2fyx s HIS 69 Ca 0.13 1.38 -0.06 0.00 -0.15 0.00 0.00 55.06 56.35 2fyx s HIS 69 Cb 0.16 -3.46 -0.01 0.00 1.11 0.00 0.00 32.58 30.38 2fyx s HIS 69 CO 0.54 -1.33 0.05 0.08 -0.85 0.00 0.00 174.74 173.23 2fyx s VAL 70 N 0.08 4.01 0.14 -0.90 1.01 -1.26 -4.93 120.40 118.54 2fyx s VAL 70 Ca 0.54 -0.38 -0.24 0.00 0.00 0.00 0.00 61.98 61.90 2fyx s VAL 70 Cb -0.33 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 2fyx s VAL 70 CO 0.36 0.29 1.63 0.40 0.00 0.00 0.00 175.10 177.78 2fyx h ILE 71 N 5.67 0.40 -0.27 2.22 2.04 -1.98 -1.44 117.51 124.14 2fyx h ILE 71 Ca -0.37 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.57 2fyx h ILE 71 Cb 1.16 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2fyx h ILE 71 CO 0.59 0.00 0.20 -0.65 0.00 0.00 0.00 178.15 178.29 2fyx h PRO 72 N -0.32 0.00 -0.01 2.37 0.11 -1.99 0.59 132.00 132.76 2fyx h PRO 72 Ca 0.10 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 2fyx h PRO 72 Cb 0.47 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.58 2fyx h PRO 72 CO -0.31 0.00 -0.01 -0.44 -0.21 0.00 0.00 178.00 177.02 2fyx h ASP 73 N 0.00 0.03 0.71 -2.05 3.32 -1.72 -1.40 116.42 115.30 2fyx h ASP 73 Ca 0.13 -0.53 -0.14 0.00 0.02 0.00 0.00 57.03 56.51 2fyx h ASP 73 Cb 0.53 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 2fyx h ASP 73 CO -0.00 0.55 -0.66 2.19 -1.72 0.00 0.00 179.24 179.59 2fyx h PHE 74 N -0.50 0.00 0.02 4.55 -5.15 -0.71 -0.81 116.94 114.35 2fyx h PHE 74 Ca 0.00 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 57.78 2fyx h PHE 74 Cb 0.54 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.70 2fyx h PHE 74 CO 0.11 0.66 -0.07 0.28 -2.00 0.00 0.00 178.31 177.29 2fyx h VAL 75 N 0.00 0.82 -0.82 0.88 2.07 -0.90 -0.05 116.25 118.24 2fyx h VAL 75 Ca -0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.54 2fyx h VAL 75 Cb 1.20 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.74 2fyx h VAL 75 CO 0.09 0.00 0.53 0.11 0.02 0.00 0.00 177.57 178.32 2fyx h LYS 76 N -0.14 1.02 -0.04 1.57 6.56 -1.01 0.35 116.57 124.87 2fyx h LYS 76 Ca 0.02 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 2fyx h LYS 76 Cb 0.16 -0.23 -0.00 0.00 -0.57 0.00 0.00 32.23 31.59 2fyx h LYS 76 CO -0.06 0.67 0.00 0.00 -2.06 0.00 0.00 179.45 178.01 2fyx h ALA 77 N 1.33 0.03 -0.26 3.86 0.00 -0.94 0.05 119.26 123.34 2fyx h ALA 77 Ca 0.32 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2fyx h ALA 77 Cb -0.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2fyx h ALA 77 CO -0.10 -0.48 0.07 -0.07 0.00 0.00 0.00 179.25 178.66 2fyx h LEU 78 N 0.02 0.38 -0.06 0.00 3.38 -0.61 -0.09 115.31 118.34 2fyx h LEU 78 Ca 0.02 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 2fyx h LEU 78 Cb 0.01 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2fyx h LEU 78 CO -0.02 0.51 -0.18 0.11 0.09 0.00 0.00 178.44 178.95 2fyx h LYS 79 N 0.24 0.22 0.08 1.13 1.57 -0.94 -1.77 116.57 117.09 2fyx h LYS 79 Ca 0.08 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2fyx h LYS 79 Cb 0.27 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2fyx h LYS 79 CO 0.00 0.78 -0.04 0.78 -0.57 0.00 0.00 179.45 180.40 2fyx h GLY 80 N -0.31 -0.12 1.56 3.86 0.00 -1.01 -1.42 103.07 105.63 2fyx h GLY 80 Ca -0.01 0.04 -0.11 0.00 0.00 0.00 0.00 47.33 47.25 2fyx h GLY 80 CO 0.04 -0.04 -0.34 0.00 0.00 0.00 0.00 176.54 176.20 2fyx h ALA 81 N 0.51 0.98 -0.71 3.60 0.00 -1.11 -1.96 119.26 120.56 2fyx h ALA 81 Ca -0.01 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 2fyx h ALA 81 Cb 0.32 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2fyx h ALA 81 CO 0.02 0.61 0.27 0.66 0.00 0.00 0.00 179.25 180.80 2fyx h SER 82 N 0.43 0.99 -0.10 0.00 4.64 -1.28 -0.12 113.55 118.12 2fyx h SER 82 Ca 0.05 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 2fyx h SER 82 Cb 0.80 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2fyx h SER 82 CO 0.06 0.91 0.04 0.00 -0.87 0.00 0.00 176.83 176.97 2fyx h ALA 83 N 1.12 0.12 -0.42 5.18 0.00 -1.06 -0.61 119.26 123.60 2fyx h ALA 83 Ca 0.23 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2fyx h ALA 83 Cb 0.24 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2fyx h ALA 83 CO -0.02 -0.28 0.28 0.00 0.00 0.00 0.00 179.25 179.23 2fyx h ARG 84 N -0.01 0.55 0.00 0.00 -0.00 -1.17 -0.51 114.38 113.23 2fyx h ARG 84 Ca 0.03 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.98 59.35 2fyx h ARG 84 Cb 0.19 -0.12 -0.02 0.00 0.00 0.00 0.00 29.97 30.01 2fyx h ARG 84 CO -0.00 0.36 -0.60 0.00 0.00 0.00 0.00 179.97 179.73 2fyx h ARG 85 N 0.56 0.00 -0.05 0.04 3.08 -0.94 -2.41 114.38 114.65 2fyx h ARG 85 Ca 0.16 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.97 2fyx h ARG 85 Cb -0.05 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.01 2fyx h ARG 85 CO -0.04 0.60 -0.91 0.52 -1.07 0.00 0.00 179.97 179.07 2fyx h MET 86 N 0.00 0.62 -0.49 0.04 2.86 -0.83 -0.66 114.93 116.47 2fyx h MET 86 Ca -0.01 -0.60 -0.02 0.00 -2.06 0.00 0.00 59.70 57.01 2fyx h MET 86 Cb 1.11 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.90 2fyx h MET 86 CO 0.08 1.21 0.21 0.74 1.06 0.00 0.00 176.91 180.21 2fyx h PHE 87 N 0.38 0.69 -0.15 -0.22 0.04 -1.02 0.37 116.94 117.04 2fyx h PHE 87 Ca -0.08 -0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.62 2fyx h PHE 87 Cb 1.54 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 39.47 2fyx h PHE 87 CO 0.08 0.53 -0.08 0.77 -0.60 0.00 0.00 178.31 179.01 2fyx h SER 88 N 0.70 0.34 0.19 2.17 0.02 -1.30 -2.73 113.55 112.94 2fyx h SER 88 Ca 0.17 -0.42 -0.14 0.00 -0.84 0.00 0.00 61.79 60.56 2fyx h SER 88 Cb 0.11 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2fyx h SER 88 CO -0.02 0.69 -0.52 0.00 -1.14 0.00 0.00 176.83 175.84 2fyx h ALA 89 N 0.67 0.86 -2.34 3.77 0.00 -0.85 -3.38 119.26 117.99 2fyx h ALA 89 Ca 0.03 -0.49 -0.59 0.00 0.00 0.00 0.00 54.91 53.87 2fyx h ALA 89 Cb 0.56 -0.09 -0.39 0.00 0.00 0.00 0.00 17.79 17.87 2fyx h ALA 89 CO 0.02 0.68 -0.93 1.19 0.00 0.00 0.00 179.25 180.21 2fyx n PHE 90 N -3.95 0.15 0.19 0.00 3.72 0.13 -4.97 117.46 112.73 2fyx n PHE 90 Ca -0.02 -3.58 0.18 0.00 -0.05 0.00 0.00 57.45 53.98 2fyx n PHE 90 Cb 0.57 -0.10 0.82 0.00 -0.94 0.00 0.00 39.48 39.83 2fyx n PHE 90 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2fyx h PRO 91 N 5.00 0.00 0.00 -1.08 0.11 -1.68 -0.66 132.00 133.69 2fyx h PRO 91 Ca 0.19 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 2fyx h PRO 91 Cb 0.86 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 2fyx h PRO 91 CO 0.48 0.00 -0.00 1.12 -0.21 0.00 0.00 178.00 179.39 2fyx h HIS 92 N 0.00 0.00 0.00 0.65 2.07 -1.93 -0.94 115.15 114.99 2fyx h HIS 92 Ca 0.11 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.63 2fyx h HIS 92 Cb 0.63 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.61 2fyx h HIS 92 CO 0.00 0.00 0.00 -0.07 -3.07 0.00 0.00 177.93 174.79 2fyx h LEU 93 N 0.00 0.00 -8.35 6.12 3.38 -1.46 -3.38 115.31 111.62 2fyx h LEU 93 Ca -0.00 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.54 2fyx h LEU 93 Cb 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 2fyx h LEU 93 CO 0.00 0.00 1.10 -0.54 0.09 0.00 0.00 178.44 179.09 2fyx s LYS 94 N -3.54 2.71 -0.38 1.13 1.02 -0.36 -4.23 119.74 116.09 2fyx s LYS 94 Ca 0.02 0.06 0.01 0.00 0.02 0.00 0.00 55.97 56.08 2fyx s LYS 94 Cb 0.09 -4.71 0.14 0.00 -0.52 0.00 0.00 37.83 32.84 2fyx s LYS 94 CO 0.49 -2.90 0.24 -0.65 -0.92 0.00 0.00 175.35 171.60 2fyx s GLN 95 N 6.77 0.77 0.54 1.68 -0.21 -1.26 -4.99 119.66 122.96 2fyx s GLN 95 Ca 0.64 -1.60 0.30 0.00 0.02 0.00 0.00 55.36 54.73 2fyx s GLN 95 Cb -0.09 -1.55 1.46 0.00 1.00 0.00 0.00 33.01 33.84 2fyx s GLN 95 CO 0.09 -1.23 1.91 -1.35 -2.12 0.00 0.00 175.29 172.60 2fyx h PRO 96 N 6.75 0.00 -0.87 2.91 0.11 -1.90 0.14 132.00 139.13 2fyx h PRO 96 Ca 0.08 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.32 2fyx h PRO 96 Cb 0.95 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.99 2fyx h PRO 96 CO 0.33 0.00 0.56 1.25 -0.21 0.00 0.00 178.00 179.93 2fyx h HIS 97 N 0.00 0.80 -0.81 0.65 -0.00 -2.00 -1.43 115.15 112.37 2fyx h HIS 97 Ca 0.36 0.02 -0.40 0.00 -0.00 0.00 0.00 60.37 60.36 2fyx h HIS 97 Cb 1.50 -0.25 -0.24 0.00 -0.00 0.00 0.00 27.41 28.42 2fyx h HIS 97 CO 0.00 0.31 0.43 0.91 -0.00 0.00 0.00 177.93 179.58 2fyx n TRP 98 N -4.55 2.52 -1.32 5.26 7.02 0.26 -4.90 117.44 121.73 2fyx n TRP 98 Ca 0.17 -1.70 -0.13 0.00 -1.02 0.00 0.00 57.50 54.82 2fyx n TRP 98 Cb 0.45 -0.80 -0.05 0.00 -2.42 0.00 0.00 31.31 28.48 2fyx n TRP 98 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2fyx n GLY 99 N -1.00 1.20 1.95 6.99 0.00 -0.54 -0.96 105.19 112.83 2fyx n GLY 99 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.53 2fyx n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fyx n GLY 100 N -0.02 0.49 4.88 -0.02 0.00 0.01 -4.69 105.19 105.84 2fyx n GLY 100 Ca -0.13 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2fyx n GLY 100 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2fyx n ASN 101 N 0.32 0.00 -4.34 1.61 3.02 -0.14 -4.55 115.26 111.18 2fyx n ASN 101 Ca 0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.16 2fyx n ASN 101 Cb 0.00 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.05 2fyx n ASN 101 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2fyx s LEU 102 N 0.00 4.46 0.24 3.41 1.43 -1.26 0.44 118.68 127.39 2fyx s LEU 102 Ca 0.00 -1.00 -0.03 0.00 -1.03 0.00 0.00 54.13 52.07 2fyx s LEU 102 Cb 0.00 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 2fyx s LEU 102 CO 0.00 -0.34 0.26 0.26 0.23 0.00 0.00 176.35 176.76 2fyx s TRP 103 N 1.49 1.01 0.35 0.29 0.52 -1.26 -4.96 118.94 116.38 2fyx s TRP 103 Ca 0.01 -1.24 -0.29 0.00 0.02 0.00 0.00 56.10 54.60 2fyx s TRP 103 Cb -0.19 -0.35 -0.11 0.00 -1.15 0.00 0.00 33.47 31.67 2fyx s TRP 103 CO 0.05 -0.79 1.54 -1.71 0.02 0.00 0.00 176.95 176.06 2fyx n ASN 104 N -0.51 3.89 0.30 2.95 2.85 -0.10 -4.47 115.26 120.18 2fyx n ASN 104 Ca 0.02 1.20 0.20 0.00 -0.11 0.00 0.00 54.58 55.89 2fyx n ASN 104 Cb 0.64 -1.62 1.00 0.00 1.24 0.00 0.00 39.78 41.04 2fyx n ASN 104 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2fyx h PRO 105 N 3.59 0.00 -7.00 1.20 0.13 -1.96 -3.44 132.00 124.52 2fyx h PRO 105 Ca -0.50 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.14 2fyx h PRO 105 Cb 1.23 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.40 2fyx h PRO 105 CO 0.69 0.00 0.16 0.45 -0.23 0.00 0.00 178.00 179.07 2fyx s SER 106 N -5.19 6.27 0.12 1.44 0.15 -1.26 -5.10 113.70 110.14 2fyx s SER 106 Ca -0.03 1.02 -0.04 0.00 0.70 0.00 0.00 55.95 57.61 2fyx s SER 106 Cb 0.11 -2.29 -0.03 0.00 -1.71 0.00 0.00 66.02 62.10 2fyx s SER 106 CO 0.43 -0.62 0.11 -0.72 1.20 0.00 0.00 173.24 173.64 2fyx s TYR 107 N -2.79 0.63 -0.08 3.44 1.13 -1.26 -4.62 117.35 113.79 2fyx s TYR 107 Ca 0.49 -1.04 0.02 0.00 -1.41 0.00 0.00 57.07 55.14 2fyx s TYR 107 Cb -0.10 -0.33 0.01 0.00 -1.10 0.00 0.00 41.96 40.44 2fyx s TYR 107 CO 0.46 -0.55 -0.15 0.00 -2.51 0.00 0.00 175.55 172.79 2fyx s VAL 109 N 0.67 1.11 -0.01 0.00 0.11 -1.26 -0.57 120.40 120.45 2fyx s VAL 109 Ca -0.14 -0.45 0.01 0.00 -2.93 0.00 0.00 61.98 58.47 2fyx s VAL 109 Cb -0.16 -1.03 0.01 0.00 -1.53 0.00 0.00 36.38 33.67 2fyx s VAL 109 CO 0.04 0.35 -0.02 -0.76 -3.33 0.00 0.00 175.10 171.38 2fyx s LEU 110 N 0.80 1.65 0.55 2.54 1.43 -0.16 -4.99 118.68 120.50 2fyx s LEU 110 Ca -0.12 -0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 52.79 2fyx s LEU 110 Cb -0.15 -0.20 -0.06 0.00 0.03 0.00 0.00 46.19 45.81 2fyx s LEU 110 CO 0.02 -0.02 0.99 0.42 0.23 0.00 0.00 176.35 177.99 2fyx s THR 111 N 0.39 4.62 0.13 5.49 -4.23 -1.26 -0.59 115.64 120.19 2fyx s THR 111 Ca -0.04 1.04 -0.34 0.00 -1.18 0.00 0.00 61.69 61.16 2fyx s THR 111 Cb -0.07 -3.78 -0.16 0.00 1.34 0.00 0.00 72.50 69.83 2fyx s THR 111 CO -0.01 -0.87 1.20 0.52 -0.54 0.00 0.00 174.62 174.93 2fyx n VAL 112 N -2.04 0.57 -3.90 2.29 0.31 -1.26 -4.91 118.33 109.38 2fyx n VAL 112 Ca 0.06 -0.14 -0.11 0.00 -0.01 0.00 0.00 64.34 64.14 2fyx n VAL 112 Cb 0.54 -0.77 -0.02 0.00 -0.91 0.00 0.00 33.84 32.69 2fyx n VAL 112 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2fyx n SER 113 N 2.16 -1.28 0.10 4.52 3.41 -1.26 -5.02 113.62 116.24 2fyx n SER 113 Ca 0.16 -2.51 0.11 0.00 -0.26 0.00 0.00 58.87 56.37 2fyx n SER 113 Cb 0.22 2.31 0.44 0.00 -0.26 0.00 0.00 64.21 66.93 2fyx n SER 113 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2fyx n GLU 114 N -0.47 0.15 -0.13 4.33 -0.58 -1.26 -3.42 120.64 119.26 2fyx n GLU 114 Ca -0.01 0.37 0.07 0.00 -0.42 0.00 0.00 57.16 57.17 2fyx n GLU 114 Cb 0.48 -1.77 0.13 0.00 -0.57 0.00 0.00 31.44 29.71 2fyx n GLU 114 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2fyx n HIS 115 N -2.04 0.34 -0.31 -0.32 8.25 -1.26 -4.67 115.22 115.20 2fyx n HIS 115 Ca 0.03 -0.30 0.15 0.00 -0.26 0.00 0.00 57.72 57.34 2fyx n HIS 115 Cb 0.22 -0.01 0.34 0.00 1.12 0.00 0.00 29.99 31.66 2fyx n HIS 115 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2fyx h THR 116 N 2.51 0.43 -0.23 1.59 2.02 -1.93 0.20 112.91 117.50 2fyx h THR 116 Ca 0.00 -0.13 -0.06 0.00 0.77 0.00 0.00 66.41 66.99 2fyx h THR 116 Cb 0.69 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 2fyx h THR 116 CO 0.00 0.07 -0.10 -0.09 0.37 0.00 0.00 175.52 175.76 2fyx h ARG 117 N 0.37 0.48 -0.54 6.66 2.43 -1.88 -0.82 114.38 121.08 2fyx h ARG 117 Ca 0.59 -0.20 -0.09 0.00 -0.81 0.00 0.00 59.98 59.47 2fyx h ARG 117 Cb 1.18 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 2fyx h ARG 117 CO -0.56 0.74 -0.02 0.00 -1.51 0.00 0.00 179.97 178.62 2fyx h ALA 118 N 0.72 0.94 -0.31 2.80 0.00 -1.55 -1.54 119.26 120.32 2fyx h ALA 118 Ca 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2fyx h ALA 118 Cb 0.60 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2fyx h ALA 118 CO 0.03 0.63 0.20 1.96 0.00 0.00 0.00 179.25 182.07 2fyx h GLN 119 N 0.86 0.42 -0.51 0.00 4.20 -0.70 0.86 115.11 120.24 2fyx h GLN 119 Ca 0.16 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 2fyx h GLN 119 Cb 0.54 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 2fyx h GLN 119 CO 0.03 0.30 0.12 0.82 -0.67 0.00 0.00 178.83 179.42 2fyx h ILE 120 N 0.41 1.24 -0.27 2.54 2.04 -0.99 -1.19 117.51 121.29 2fyx h ILE 120 Ca 0.11 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 2fyx h ILE 120 Cb -0.02 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2fyx h ILE 120 CO -0.02 0.31 0.16 1.56 0.00 0.00 0.00 178.15 180.16 2fyx h GLN 121 N 0.70 0.37 -0.25 2.37 4.20 -1.00 -1.23 115.11 120.27 2fyx h GLN 121 Ca 0.16 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.89 2fyx h GLN 121 Cb 0.35 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 27.98 2fyx h GLN 121 CO 0.00 0.30 -0.17 1.96 -0.67 0.00 0.00 178.83 180.26 2fyx h GLN 122 N 0.34 -0.15 -0.09 1.46 7.50 -0.71 -0.52 115.11 122.96 2fyx h GLN 122 Ca 0.10 0.01 0.02 0.00 0.50 0.00 0.00 58.65 59.28 2fyx h GLN 122 Cb 0.02 0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.56 2fyx h GLN 122 CO -0.02 -0.10 -0.04 -0.92 -1.50 0.00 0.00 178.83 176.26 2fyx h TYR 123 N -0.15 -0.09 -0.39 2.96 3.20 -0.94 -0.38 116.97 121.18 2fyx h TYR 123 Ca 0.14 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 2fyx h TYR 123 Cb 0.36 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 2fyx h TYR 123 CO -0.34 -0.06 0.04 0.82 -1.64 0.00 0.00 178.16 176.97 2fyx h ILE 124 N -0.03 1.25 0.00 1.81 1.08 -1.04 -2.44 117.51 118.15 2fyx h ILE 124 Ca 0.05 -0.93 -0.01 0.00 -0.39 0.00 0.00 64.86 63.58 2fyx h ILE 124 Cb 0.10 1.09 -0.00 0.00 -3.07 0.00 0.00 36.82 34.94 2fyx h ILE 124 CO -0.11 0.32 -0.05 -0.33 -0.69 0.00 0.00 178.15 177.29 2fyx h GLU 125 N 0.51 0.00 -0.00 2.37 5.08 -0.87 -1.64 114.58 120.02 2fyx h GLU 125 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2fyx h GLU 125 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2fyx h GLU 125 CO 0.01 0.05 -0.03 0.09 -1.00 0.00 0.00 179.01 178.13 2fyx n ASN 126 N -3.99 0.04 -4.66 1.42 3.02 -0.17 -4.62 115.26 106.29 2fyx n ASN 126 Ca -0.03 0.34 -0.41 0.00 -0.03 0.00 0.00 54.58 54.45 2fyx n ASN 126 Cb 0.14 -0.42 -0.05 0.00 -0.61 0.00 0.00 39.78 38.84 2fyx n ASN 126 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2fyx s GLN 127 N -2.92 4.26 -0.12 3.52 -1.52 -0.62 -5.04 119.66 117.22 2fyx s GLN 127 Ca 0.16 0.90 -0.15 0.00 -1.95 0.00 0.00 55.36 54.33 2fyx s GLN 127 Cb 0.19 -3.58 -0.05 0.00 -0.22 0.00 0.00 33.01 29.35 2fyx s GLN 127 CO 0.53 -0.33 0.35 -1.01 -0.25 0.00 0.00 175.29 174.58 2fyx s HIS 128 N 2.16 3.54 -0.18 0.91 3.76 -1.26 -4.92 115.29 119.30 2fyx s HIS 128 Ca 0.35 0.74 -0.20 0.00 -0.15 0.00 0.00 55.06 55.80 2fyx s HIS 128 Cb -0.16 -2.36 -0.03 0.00 1.11 0.00 0.00 32.58 31.14 2fyx s HIS 128 CO 0.11 0.33 0.60 0.00 -0.85 0.00 0.00 174.74 174.93 2fyx s ALA 129 N 0.10 3.51 -2.00 -1.40 0.00 -1.26 -4.58 121.76 116.13 2fyx s ALA 129 Ca 0.20 -0.25 0.10 0.00 0.00 0.00 0.00 51.96 52.02 2fyx s ALA 129 Cb -0.14 -2.90 0.62 0.00 0.00 0.00 0.00 23.12 20.70 2fyx s ALA 129 CO 0.07 -0.42 1.06 0.00 0.00 0.00 0.00 175.76 176.47