#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ftt n ARG 1 N 0.00 -2.37 -1.73 0.03 1.74 -1.26 -5.08 116.66 107.99 1ftt n ARG 1 Ca 0.00 1.78 0.00 0.00 -0.77 0.00 0.00 57.85 58.86 1ftt n ARG 1 Cb 0.00 -2.83 0.00 0.00 -1.02 0.00 0.00 32.46 28.61 1ftt n ARG 1 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1ftt n ARG 2 N -3.87 0.00 -0.63 5.56 3.00 -1.26 -4.97 116.66 114.50 1ftt n ARG 2 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 1ftt n ARG 2 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.97 1ftt n ARG 2 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1ftt n LYS 3 N 0.00 -1.19 0.00 -0.14 2.85 -1.26 -4.78 118.16 113.64 1ftt n LYS 3 Ca 0.00 0.23 0.00 0.00 -1.05 0.00 0.00 58.31 57.49 1ftt n LYS 3 Cb 0.00 -4.18 0.00 0.00 -0.65 0.00 0.00 35.03 30.20 1ftt n LYS 3 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1ftt n ARG 4 N -0.08 0.00 -2.70 -1.58 5.12 -1.26 -5.02 116.66 111.14 1ftt n ARG 4 Ca 0.00 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.88 1ftt n ARG 4 Cb 0.23 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.54 1ftt n ARG 4 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1ftt n ARG 5 N -1.47 -2.70 0.13 5.56 5.12 -1.26 -4.97 116.66 117.07 1ftt n ARG 5 Ca 0.00 2.30 -0.10 0.00 -1.93 0.00 0.00 57.85 58.12 1ftt n ARG 5 Cb 0.00 -5.26 -0.06 0.00 -1.16 0.00 0.00 32.46 25.98 1ftt n ARG 5 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1ftt h VAL 6 N 2.30 0.00 -4.11 1.55 2.07 -1.95 -3.45 116.25 112.65 1ftt h VAL 6 Ca 0.00 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.20 1ftt h VAL 6 Cb 0.52 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.14 1ftt h VAL 6 CO 0.14 0.00 -0.61 -0.76 0.02 0.00 0.00 177.57 176.37 1ftt s LEU 7 N -7.80 1.46 0.17 2.57 1.43 -1.26 -5.18 118.68 110.07 1ftt s LEU 7 Ca -0.10 -1.41 0.07 0.00 -1.03 0.00 0.00 54.13 51.66 1ftt s LEU 7 Cb 0.03 0.18 -0.04 0.00 0.03 0.00 0.00 46.19 46.39 1ftt s LEU 7 CO 0.35 -0.79 0.01 -0.36 0.23 0.00 0.00 176.35 175.78 1ftt s PHE 8 N -3.88 2.87 0.84 0.29 0.08 -1.26 -5.14 117.98 111.78 1ftt s PHE 8 Ca 0.38 -0.12 -0.12 0.00 0.12 0.00 0.00 56.93 57.19 1ftt s PHE 8 Cb 0.07 -1.40 0.12 0.00 -0.57 0.00 0.00 43.02 41.24 1ftt s PHE 8 CO 0.14 0.51 1.19 -1.54 -0.10 0.00 0.00 175.22 175.43 1ftt s SER 9 N -2.91 4.12 0.13 1.36 1.04 -1.26 -4.80 113.70 111.37 1ftt s SER 9 Ca 0.27 0.54 -0.20 0.00 0.48 0.00 0.00 55.95 57.05 1ftt s SER 9 Cb -0.09 -0.91 -0.03 0.00 0.10 0.00 0.00 66.02 65.09 1ftt s SER 9 CO 0.19 -2.12 1.72 1.56 0.98 0.00 0.00 173.24 175.57 1ftt h GLN 10 N -1.16 0.07 0.07 4.02 7.50 -2.00 -1.55 115.11 122.06 1ftt h GLN 10 Ca -0.45 -0.00 0.01 0.00 0.50 0.00 0.00 58.65 58.71 1ftt h GLN 10 Cb 1.30 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 28.79 1ftt h GLN 10 CO 0.56 0.05 -0.11 0.00 -1.50 0.00 0.00 178.83 177.82 1ftt h ALA 11 N 1.17 -0.18 0.11 3.87 0.00 -1.98 0.77 119.26 123.02 1ftt h ALA 11 Ca 0.10 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1ftt h ALA 11 Cb 0.12 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1ftt h ALA 11 CO -0.16 -0.62 -0.31 1.96 0.00 0.00 0.00 179.25 180.11 1ftt h GLN 12 N -0.22 -0.51 -0.29 0.00 1.08 -1.86 -0.66 115.11 112.64 1ftt h GLN 12 Ca 0.02 0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.16 1ftt h GLN 12 Cb 0.24 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 1ftt h GLN 12 CO -0.06 -0.34 -0.22 0.28 -0.95 0.00 0.00 178.83 177.53 1ftt h VAL 13 N -0.53 1.26 -0.15 -0.54 2.07 -1.27 -1.73 116.25 115.35 1ftt h VAL 13 Ca 0.03 -1.24 0.02 0.00 0.82 0.00 0.00 66.70 66.33 1ftt h VAL 13 Cb 0.56 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1ftt h VAL 13 CO -0.19 0.40 0.03 0.22 0.02 0.00 0.00 177.57 178.05 1ftt h TYR 14 N 0.49 0.04 -0.66 1.57 3.20 -0.35 0.11 116.97 121.38 1ftt h TYR 14 Ca 0.07 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.97 1ftt h TYR 14 Cb 0.65 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.89 1ftt h TYR 14 CO 0.02 0.01 0.43 0.93 -1.64 0.00 0.00 178.16 177.92 1ftt h GLU 15 N 0.09 0.85 -0.03 1.82 3.07 -0.93 0.34 114.58 119.77 1ftt h GLU 15 Ca 0.07 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1ftt h GLU 15 Cb 0.06 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 27.78 1ftt h GLU 15 CO -0.09 0.56 0.01 -0.07 -1.40 0.00 0.00 179.01 178.02 1ftt h LEU 16 N 0.87 0.05 -0.50 1.33 3.38 -0.88 -1.27 115.31 118.29 1ftt h LEU 16 Ca 0.25 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1ftt h LEU 16 Cb -0.08 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1ftt h LEU 16 CO -0.06 0.24 0.23 -0.33 0.09 0.00 0.00 178.44 178.61 1ftt h GLU 17 N -0.15 0.72 -0.55 1.13 5.08 -0.75 -0.48 114.58 119.58 1ftt h GLU 17 Ca 0.01 -0.11 0.11 0.00 -1.00 0.00 0.00 59.36 58.37 1ftt h GLU 17 Cb 0.21 -0.13 -0.09 0.00 0.50 0.00 0.00 28.75 29.25 1ftt h GLU 17 CO -0.00 0.61 0.03 -0.09 -1.00 0.00 0.00 179.01 178.57 1ftt h ARG 18 N 0.66 0.15 0.14 2.33 2.43 -0.85 0.26 114.38 119.50 1ftt h ARG 18 Ca 0.17 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1ftt h ARG 18 Cb 0.13 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1ftt h ARG 18 CO -0.02 0.10 -0.07 -0.09 -1.51 0.00 0.00 179.97 178.38 1ftt h ARG 19 N 0.15 -0.19 0.01 0.20 9.65 -0.91 -3.29 114.38 120.00 1ftt h ARG 19 Ca 0.29 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 59.20 1ftt h ARG 19 Cb 0.44 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.04 1ftt h ARG 19 CO -0.44 0.03 -0.10 0.35 2.80 0.00 0.00 179.97 182.61 1ftt h PHE 20 N -0.38 -0.25 -0.30 2.20 3.04 -0.62 0.08 116.94 120.72 1ftt h PHE 20 Ca -0.02 0.01 -0.17 0.00 3.98 0.00 0.00 57.97 61.77 1ftt h PHE 20 Cb 0.30 0.11 -0.09 0.00 2.56 0.00 0.00 35.95 38.83 1ftt h PHE 20 CO -0.01 -0.15 0.22 1.17 -2.02 0.00 0.00 178.31 177.52 1ftt n LYS 21 N -5.22 1.42 0.16 1.11 0.00 0.04 -3.88 118.16 111.79 1ftt n LYS 21 Ca -0.06 -0.92 0.00 0.00 0.00 0.00 0.00 58.31 57.33 1ftt n LYS 21 Cb 0.15 -1.36 0.00 0.00 0.00 0.00 0.00 35.03 33.82 1ftt n LYS 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1ftt n GLN 22 N 0.29 0.00 -4.13 1.64 1.13 -1.10 -4.99 117.38 110.22 1ftt n GLN 22 Ca 0.18 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.94 1ftt n GLN 22 Cb 0.74 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 31.01 1ftt n GLN 22 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1ftt s GLN 23 N -1.90 2.59 -0.16 -1.09 -0.44 -0.01 -5.02 119.66 113.63 1ftt s GLN 23 Ca 0.00 -0.81 -0.04 0.00 -2.50 0.00 0.00 55.36 52.01 1ftt s GLN 23 Cb 0.00 -2.56 -0.07 0.00 -1.64 0.00 0.00 33.01 28.74 1ftt s GLN 23 CO 0.00 0.55 2.89 1.63 0.50 0.00 0.00 175.29 180.85 1ftt n LYS 24 N 0.60 1.89 -0.08 1.67 4.76 -1.26 -4.40 118.16 121.34 1ftt n LYS 24 Ca -0.11 -1.23 0.00 0.00 -2.87 0.00 0.00 58.31 54.10 1ftt n LYS 24 Cb 0.52 -1.79 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 1ftt n LYS 24 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1ftt n TYR 25 N 1.61 -0.22 -1.92 2.13 4.01 -1.26 -4.97 117.16 116.54 1ftt n TYR 25 Ca 0.35 0.12 -0.38 0.00 -0.16 0.00 0.00 57.90 57.82 1ftt n TYR 25 Cb 0.70 -1.06 0.02 0.00 -0.31 0.00 0.00 39.34 38.69 1ftt n TYR 25 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1ftt s LEU 26 N -2.21 3.93 0.87 7.72 1.02 -1.26 -5.01 118.68 123.74 1ftt s LEU 26 Ca 0.00 2.65 -0.13 0.00 0.02 0.00 0.00 54.13 56.68 1ftt s LEU 26 Cb 0.00 -4.22 0.12 0.00 0.02 0.00 0.00 46.19 42.11 1ftt s LEU 26 CO 0.00 -1.33 1.17 -0.94 0.02 0.00 0.00 176.35 175.27 1ftt s SER 27 N -1.01 3.90 0.28 2.29 1.04 -1.26 -4.59 113.70 114.35 1ftt s SER 27 Ca 0.68 0.80 0.01 0.00 0.48 0.00 0.00 55.95 57.93 1ftt s SER 27 Cb -0.38 -1.28 0.62 0.00 0.10 0.00 0.00 66.02 65.08 1ftt s SER 27 CO 0.45 -2.29 1.74 0.00 0.98 0.00 0.00 173.24 174.12 1ftt h ALA 28 N -1.32 1.37 0.10 5.32 0.00 -2.01 0.36 119.26 123.08 1ftt h ALA 28 Ca -0.48 0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 1ftt h ALA 28 Cb 1.32 0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.16 1ftt h ALA 28 CO 0.61 -0.17 -0.64 -1.00 0.00 0.00 0.00 179.25 178.06 1ftt h PRO 29 N 0.57 0.25 0.00 0.00 0.13 -2.02 -3.39 132.00 127.54 1ftt h PRO 29 Ca 0.51 -0.41 -0.08 0.00 -0.87 0.00 0.00 66.00 65.15 1ftt h PRO 29 Cb 0.81 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 1ftt h PRO 29 CO -0.42 1.18 -0.36 1.49 -0.23 0.00 0.00 178.00 179.67 1ftt h GLU 30 N -0.47 0.00 -0.69 0.86 4.81 -1.75 -1.37 114.58 115.96 1ftt h GLU 30 Ca -0.11 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1ftt h GLU 30 Cb 1.48 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.83 1ftt h GLU 30 CO 0.12 0.36 0.46 0.07 -0.73 0.00 0.00 179.01 179.29 1ftt h ARG 31 N 0.00 0.81 -0.14 1.92 -0.00 -1.14 0.23 114.38 116.05 1ftt h ARG 31 Ca -0.00 -0.05 -0.15 0.00 -0.00 0.00 0.00 59.98 59.78 1ftt h ARG 31 Cb 0.67 -0.18 0.01 0.00 -0.00 0.00 0.00 29.97 30.47 1ftt h ARG 31 CO 0.05 0.53 -0.49 1.49 -0.00 0.00 0.00 179.97 181.54 1ftt h GLU 32 N 0.83 0.58 -0.11 0.08 4.81 -1.46 -0.95 114.58 118.37 1ftt h GLU 32 Ca 0.28 -0.44 0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1ftt h GLU 32 Cb 0.07 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1ftt h GLU 32 CO -0.08 1.06 -0.11 1.25 -0.73 0.00 0.00 179.01 180.41 1ftt h HIS 33 N 0.22 -0.26 0.14 0.92 2.76 -1.03 -1.44 115.15 116.47 1ftt h HIS 33 Ca -0.02 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.17 1ftt h HIS 33 Cb 1.12 0.13 -0.01 0.00 1.55 0.00 0.00 27.41 30.20 1ftt h HIS 33 CO 0.10 -0.16 -0.15 1.25 -1.30 0.00 0.00 177.93 177.67 1ftt h LEU 34 N -0.13 -0.39 -0.57 0.26 6.46 -0.98 -0.21 115.31 119.75 1ftt h LEU 34 Ca 0.08 0.04 0.12 0.00 -0.12 0.00 0.00 57.88 57.99 1ftt h LEU 34 Cb 0.24 0.14 -0.10 0.00 -0.73 0.00 0.00 40.66 40.21 1ftt h LEU 34 CO -0.19 -0.22 -0.02 0.00 -0.62 0.00 0.00 178.44 177.39 1ftt h ALA 35 N 0.50 0.53 0.29 1.25 0.00 -0.81 0.70 119.26 121.73 1ftt h ALA 35 Ca 0.01 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1ftt h ALA 35 Cb 0.31 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ftt h ALA 35 CO -0.04 -0.40 -0.14 1.03 0.00 0.00 0.00 179.25 179.70 1ftt h SER 36 N 0.10 -0.33 0.70 0.00 0.87 -1.19 -0.70 113.55 113.00 1ftt h SER 36 Ca 0.29 -0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 1ftt h SER 36 Cb 0.46 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1ftt h SER 36 CO -0.50 -0.12 -0.36 -0.03 -0.53 0.00 0.00 176.83 175.30 1ftt h MET 37 N -0.53 -0.93 -0.08 2.24 -1.53 0.23 -3.21 114.93 111.12 1ftt h MET 37 Ca -0.04 0.06 -0.03 0.00 -3.44 0.00 0.00 59.70 56.25 1ftt h MET 37 Cb 0.39 0.21 -0.00 0.00 -0.55 0.00 0.00 31.60 31.65 1ftt h MET 37 CO 0.07 -0.62 -0.08 -0.84 0.14 0.00 0.00 176.91 175.57 1ftt h ILE 38 N -0.97 1.37 0.00 1.77 3.07 -1.06 -3.49 117.51 118.20 1ftt h ILE 38 Ca -0.09 -1.24 0.00 0.00 1.55 0.00 0.00 64.86 65.08 1ftt h ILE 38 Cb 0.75 2.02 0.00 0.00 -0.27 0.00 0.00 36.82 39.32 1ftt h ILE 38 CO 0.14 0.35 0.00 1.41 -1.05 0.00 0.00 178.15 179.00 1ftt n HIS 39 N -4.69 0.00 -4.33 0.16 8.25 -0.83 -5.03 115.22 108.75 1ftt n HIS 39 Ca -0.07 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.19 1ftt n HIS 39 Cb 0.31 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.35 1ftt n HIS 39 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ftt n LEU 40 N 0.00 0.00 -4.94 2.41 4.32 -0.33 -5.04 117.00 113.42 1ftt n LEU 40 Ca 0.00 -3.02 -0.27 0.00 -0.02 0.00 0.00 56.01 52.70 1ftt n LEU 40 Cb 0.00 1.42 -0.03 0.00 -1.62 0.00 0.00 43.42 43.19 1ftt n LEU 40 CO 0.00 -0.49 -0.11 0.42 -1.22 0.00 0.00 177.39 175.99 1ftt s THR 41 N -3.22 5.31 0.61 -5.08 -4.23 -1.26 -4.31 115.64 103.47 1ftt s THR 41 Ca 0.33 -0.65 0.33 0.00 -1.18 0.00 0.00 61.69 60.52 1ftt s THR 41 Cb 0.02 -3.72 0.38 0.00 1.34 0.00 0.00 72.50 70.52 1ftt s THR 41 CO 0.23 -0.06 2.24 1.55 -0.54 0.00 0.00 174.62 178.04 1ftt h PRO 42 N 2.27 0.00 0.13 3.99 0.13 -1.91 -0.39 132.00 136.22 1ftt h PRO 42 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1ftt h PRO 42 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ftt h PRO 42 CO 0.69 0.00 -0.06 1.15 -0.23 0.00 0.00 178.00 179.55 1ftt h THR 43 N 0.00 1.05 -0.31 1.56 2.02 -1.97 -1.24 112.91 114.02 1ftt h THR 43 Ca 0.02 -1.01 0.05 0.00 0.77 0.00 0.00 66.41 66.23 1ftt h THR 43 Cb 0.14 1.66 -0.04 0.00 -1.74 0.00 0.00 68.15 68.17 1ftt h THR 43 CO -0.00 0.23 0.03 1.56 0.37 0.00 0.00 175.52 177.71 1ftt h GLN 44 N -0.67 0.12 -0.07 6.66 1.08 -1.73 -0.80 115.11 119.70 1ftt h GLN 44 Ca -0.02 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.20 1ftt h GLN 44 Cb 0.51 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.86 1ftt h GLN 44 CO 0.03 0.08 -0.43 0.28 -0.95 0.00 0.00 178.83 177.84 1ftt h VAL 45 N 0.13 0.00 -0.89 -0.54 2.07 -1.17 -0.76 116.25 115.09 1ftt h VAL 45 Ca 0.15 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.75 1ftt h VAL 45 Cb 0.18 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.88 1ftt h VAL 45 CO -0.22 0.00 0.54 0.50 0.02 0.00 0.00 177.57 178.41 1ftt h LYS 46 N -0.49 0.89 -0.43 1.57 3.64 -0.85 0.09 116.57 121.00 1ftt h LYS 46 Ca 0.02 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 1ftt h LYS 46 Cb 0.55 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1ftt h LYS 46 CO -0.33 0.59 0.05 0.82 -2.27 0.00 0.00 179.45 178.31 1ftt h ILE 47 N 0.92 1.25 -0.56 2.00 2.04 -0.96 0.83 117.51 123.03 1ftt h ILE 47 Ca 0.42 -0.94 0.04 0.00 1.00 0.00 0.00 64.86 65.38 1ftt h ILE 47 Cb 0.32 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1ftt h ILE 47 CO -0.23 0.32 0.31 -0.25 0.00 0.00 0.00 178.15 178.31 1ftt h TRP 48 N 0.57 0.57 -0.80 1.37 7.01 -0.25 -0.51 115.95 123.91 1ftt h TRP 48 Ca 0.13 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.11 1ftt h TRP 48 Cb 0.42 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.26 1ftt h TRP 48 CO 0.03 0.30 0.37 0.74 -2.79 0.00 0.00 178.44 177.09 1ftt h PHE 49 N 0.60 1.17 -0.31 2.65 0.04 -0.68 -1.32 116.94 119.10 1ftt h PHE 49 Ca 0.24 -0.07 -0.04 0.00 2.80 0.00 0.00 57.97 60.90 1ftt h PHE 49 Cb 0.10 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 37.88 1ftt h PHE 49 CO -0.08 0.86 0.03 0.37 -0.60 0.00 0.00 178.31 178.89 1ftt h GLN 50 N 1.14 0.53 -0.55 1.51 5.75 -0.53 -0.59 115.11 122.38 1ftt h GLN 50 Ca 0.27 -0.15 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 1ftt h GLN 50 Cb 0.14 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 1ftt h GLN 50 CO -0.03 0.64 0.34 -0.91 -2.65 0.00 0.00 178.83 176.23 1ftt h ASN 51 N 0.34 0.64 -0.51 -0.69 2.35 -0.88 0.86 115.58 117.70 1ftt h ASN 51 Ca 0.09 -0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.67 1ftt h ASN 51 Cb 0.39 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1ftt h ASN 51 CO 0.01 0.49 -0.18 0.45 -1.65 0.00 0.00 177.43 176.55 1ftt h HIS 52 N 0.74 1.16 -0.84 1.19 3.86 -1.19 -1.65 115.15 118.42 1ftt h HIS 52 Ca 0.20 -0.27 0.06 0.00 -1.16 0.00 0.00 60.37 59.20 1ftt h HIS 52 Cb -0.05 -0.28 -0.06 0.00 1.06 0.00 0.00 27.41 28.09 1ftt h HIS 52 CO -0.03 1.10 0.52 -0.09 0.86 0.00 0.00 177.93 180.29 1ftt h ARG 53 N 0.89 0.91 -0.28 2.45 2.43 -0.72 -1.25 114.38 118.80 1ftt h ARG 53 Ca 0.12 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1ftt h ARG 53 Cb 0.76 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1ftt h ARG 53 CO 0.06 0.60 0.12 -0.92 -1.51 0.00 0.00 179.97 178.33 1ftt h TYR 54 N 0.94 0.42 -0.01 2.20 3.20 -0.67 -3.16 116.97 119.90 1ftt h TYR 54 Ca 0.37 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.21 1ftt h TYR 54 Cb 0.18 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 1ftt h TYR 54 CO -0.04 0.41 0.00 -0.22 -1.64 0.00 0.00 178.16 176.68 1ftt h LYS 55 N 0.31 0.01 0.00 1.82 1.63 -0.65 -0.06 116.57 119.64 1ftt h LYS 55 Ca 0.10 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 1ftt h LYS 55 Cb 0.16 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.79 1ftt h LYS 55 CO -0.01 0.05 -0.05 0.00 -3.45 0.00 0.00 179.45 175.99 1ftt h MET 56 N -0.03 0.00 0.00 1.90 -0.00 -1.31 -0.05 114.93 115.43 1ftt h MET 56 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 1ftt h MET 56 Cb 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.64 1ftt h MET 56 CO -0.00 0.05 -0.17 -0.22 -0.00 0.00 0.00 176.91 176.56 1ftt h LYS 57 N 0.00 0.00 0.00 -0.10 3.64 -1.45 -3.40 116.57 115.26 1ftt h LYS 57 Ca -0.00 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 1ftt h LYS 57 Cb 0.12 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1ftt h LYS 57 CO 0.01 0.53 -0.81 -0.09 -2.27 0.00 0.00 179.45 176.82 1ftt h ARG 58 N -1.00 0.04 -1.14 1.90 2.43 -0.76 -3.50 114.38 112.35 1ftt h ARG 58 Ca -0.04 -0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.22 1ftt h ARG 58 Cb 0.61 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 1ftt h ARG 58 CO -0.02 0.82 -0.31 1.04 -1.51 0.00 0.00 179.97 179.99 1ftt n GLN 59 N -3.61 -1.06 0.00 0.20 1.13 -0.05 -4.81 117.38 109.18 1ftt n GLN 59 Ca -0.01 0.80 0.00 0.00 -1.94 0.00 0.00 57.00 55.85 1ftt n GLN 59 Cb 0.77 -1.26 0.00 0.00 0.11 0.00 0.00 30.24 29.86 1ftt n GLN 59 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ftt n ALA 60 N -2.78 -0.09 -2.70 -1.58 0.00 -1.26 -4.83 120.51 107.27 1ftt n ALA 60 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 1ftt n ALA 60 Cb 0.23 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.79 1ftt n ALA 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ftt n LYS 61 N -1.78 1.30 -2.02 0.00 4.81 -1.26 -4.99 118.16 114.22 1ftt n LYS 61 Ca 0.00 -1.85 -0.41 0.00 -0.87 0.00 0.00 58.31 55.19 1ftt n LYS 61 Cb 0.00 -0.09 -0.00 0.00 0.02 0.00 0.00 35.03 34.96 1ftt n LYS 61 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1ftt n ASP 62 N -0.92 6.98 0.00 3.14 9.92 -1.26 -4.33 116.55 130.07 1ftt n ASP 62 Ca -0.07 -3.06 0.00 0.00 -0.53 0.00 0.00 54.79 51.13 1ftt n ASP 62 Cb 0.85 -1.43 0.00 0.00 -0.64 0.00 0.00 41.12 39.90 1ftt n ASP 62 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1ftt n LYS 63 N 2.80 0.00 -1.48 -1.24 0.00 -1.26 -4.90 118.16 112.08 1ftt n LYS 63 Ca 0.56 0.00 -0.33 0.00 0.00 0.00 0.00 58.31 58.54 1ftt n LYS 63 Cb 0.29 -3.18 -0.05 0.00 0.00 0.00 0.00 35.03 32.09 1ftt n LYS 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ftt n ALA 64 N 0.91 6.99 -3.85 3.14 0.00 -1.26 -4.77 120.51 121.68 1ftt n ALA 64 Ca 0.00 -3.33 0.01 0.00 0.00 0.00 0.00 53.44 50.12 1ftt n ALA 64 Cb 0.00 -2.85 0.01 0.00 0.00 0.00 0.00 19.45 16.61 1ftt n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ftt s ALA 65 N 0.45 -2.18 -1.34 0.00 0.00 -1.26 -4.84 121.76 112.59 1ftt s ALA 65 Ca 0.63 0.15 -0.15 0.00 0.00 0.00 0.00 51.96 52.59 1ftt s ALA 65 Cb 0.23 0.70 -0.01 0.00 0.00 0.00 0.00 23.12 24.05 1ftt s ALA 65 CO -0.08 -1.10 2.25 0.94 0.00 0.00 0.00 175.76 177.76 1ftt n GLN 66 N -0.72 2.68 0.00 0.00 7.27 -1.26 -5.10 117.38 120.25 1ftt n GLN 66 Ca -0.02 -2.40 0.00 0.00 0.07 0.00 0.00 57.00 54.65 1ftt n GLN 66 Cb 0.60 -3.16 0.00 0.00 2.41 0.00 0.00 30.24 30.09 1ftt n GLN 66 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07