#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 2.71 -3.30 0.03 1.74 -1.26 -4.51 116.66 112.08 1ftt n ARG 1 Ca 0.00 -2.68 -0.07 0.00 -0.77 0.00 0.00 57.85 54.33 1ftt n ARG 1 Cb 0.00 -3.32 -0.06 0.00 -1.02 0.00 0.00 32.46 28.06 1ftt n ARG 1 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1ftt s ARG 2 N 3.87 0.42 -1.73 5.56 6.06 -1.26 -4.92 118.95 126.94 1ftt s ARG 2 Ca 0.51 0.34 -0.16 0.00 -2.50 0.00 0.00 55.73 53.92 1ftt s ARG 2 Cb 0.11 -0.26 0.15 0.00 0.06 0.00 0.00 34.95 35.01 1ftt s ARG 2 CO -0.01 -0.89 0.55 0.36 -2.50 0.00 0.00 175.30 172.82 1ftt n LYS 3 N 5.37 -1.79 -1.37 5.12 2.85 -1.26 -4.69 118.16 122.39 1ftt n LYS 3 Ca -0.00 0.23 -0.32 0.00 -1.05 0.00 0.00 58.31 57.17 1ftt n LYS 3 Cb 0.50 -4.65 0.09 0.00 -0.65 0.00 0.00 35.03 30.31 1ftt n LYS 3 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 1ftt s ARG 4 N -7.11 2.26 -0.14 -1.58 1.70 -1.26 -4.74 118.95 108.09 1ftt s ARG 4 Ca 0.60 1.34 -0.09 0.00 -0.47 0.00 0.00 55.73 57.12 1ftt s ARG 4 Cb -0.34 -1.89 0.05 0.00 -0.57 0.00 0.00 34.95 32.20 1ftt s ARG 4 CO 0.98 -1.66 0.34 1.03 -1.08 0.00 0.00 175.30 174.91 1ftt s ARG 5 N -4.52 0.33 -0.01 3.89 0.52 -1.26 -5.07 118.95 112.84 1ftt s ARG 5 Ca 0.65 0.62 -0.00 0.00 -0.52 0.00 0.00 55.73 56.48 1ftt s ARG 5 Cb -0.20 0.01 -0.00 0.00 0.52 0.00 0.00 34.95 35.28 1ftt s ARG 5 CO 0.51 -0.13 0.03 0.28 0.02 0.00 0.00 175.30 176.00 1ftt h VAL 6 N 5.38 0.00 -3.96 3.52 2.07 -2.04 -3.48 116.25 117.75 1ftt h VAL 6 Ca -0.35 -0.09 -0.48 0.00 0.82 0.00 0.00 66.70 66.59 1ftt h VAL 6 Cb 1.18 0.00 0.06 0.00 -1.52 0.00 0.00 31.29 31.01 1ftt h VAL 6 CO 0.32 0.00 0.26 -0.76 0.02 0.00 0.00 177.57 177.41 1ftt s LEU 7 N -4.43 3.15 0.03 2.57 1.43 -1.26 -5.11 118.68 115.05 1ftt s LEU 7 Ca -0.00 0.90 0.01 0.00 -1.03 0.00 0.00 54.13 54.01 1ftt s LEU 7 Cb 0.00 -3.73 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 1ftt s LEU 7 CO 0.00 -1.12 -0.06 -0.36 0.23 0.00 0.00 176.35 175.05 1ftt s PHE 8 N -3.11 0.49 0.66 0.29 0.08 -1.26 -5.16 117.98 109.97 1ftt s PHE 8 Ca 0.55 -0.52 0.02 0.00 0.12 0.00 0.00 56.93 57.10 1ftt s PHE 8 Cb -0.11 -0.31 0.10 0.00 -0.57 0.00 0.00 43.02 42.14 1ftt s PHE 8 CO 0.48 -0.13 0.91 -1.54 -0.10 0.00 0.00 175.22 174.83 1ftt s SER 9 N -1.54 4.68 0.21 1.36 1.04 -1.26 -4.87 113.70 113.31 1ftt s SER 9 Ca -0.12 -0.42 -0.09 0.00 0.48 0.00 0.00 55.95 55.80 1ftt s SER 9 Cb -0.10 -0.09 0.26 0.00 0.10 0.00 0.00 66.02 66.20 1ftt s SER 9 CO -0.00 -1.62 1.79 1.56 0.98 0.00 0.00 173.24 175.95 1ftt h GLN 10 N -0.25 0.60 -0.02 4.02 1.08 -2.02 -1.23 115.11 117.29 1ftt h GLN 10 Ca -0.36 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 56.81 1ftt h GLN 10 Cb 1.28 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 28.57 1ftt h GLN 10 CO 0.42 0.40 0.01 0.00 -0.95 0.00 0.00 178.83 178.71 1ftt h ALA 11 N 1.37 0.02 0.55 3.87 0.00 -1.98 0.62 119.26 123.72 1ftt h ALA 11 Ca 0.31 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1ftt h ALA 11 Cb 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ftt h ALA 11 CO -0.22 -0.44 -0.40 1.96 0.00 0.00 0.00 179.25 180.16 1ftt h GLN 12 N -0.05 -0.89 -0.41 0.00 1.08 -1.85 -2.15 115.11 110.85 1ftt h GLN 12 Ca 0.01 0.06 -0.09 0.00 -1.45 0.00 0.00 58.65 57.18 1ftt h GLN 12 Cb 0.07 0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 1ftt h GLN 12 CO -0.00 -0.59 -0.10 0.28 -0.95 0.00 0.00 178.83 177.47 1ftt h VAL 13 N -0.92 1.25 -0.02 -0.54 2.07 -1.25 -1.09 116.25 115.75 1ftt h VAL 13 Ca -0.06 -1.12 0.03 0.00 0.82 0.00 0.00 66.70 66.37 1ftt h VAL 13 Cb 0.77 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 1ftt h VAL 13 CO 0.03 0.38 -0.25 0.22 0.02 0.00 0.00 177.57 177.97 1ftt h TYR 14 N 0.66 -0.67 -0.54 1.57 3.20 -0.78 0.98 116.97 121.40 1ftt h TYR 14 Ca 0.12 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1ftt h TYR 14 Cb 0.56 0.30 -0.03 0.00 1.54 0.00 0.00 36.73 39.10 1ftt h TYR 14 CO 0.03 -0.34 0.31 0.93 -1.64 0.00 0.00 178.16 177.45 1ftt h GLU 15 N -0.37 0.74 -0.18 1.82 4.39 -1.04 -0.02 114.58 119.91 1ftt h GLU 15 Ca 0.07 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1ftt h GLU 15 Cb 0.47 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1ftt h GLU 15 CO -0.24 0.55 0.09 -0.07 -1.16 0.00 0.00 179.01 178.18 1ftt h LEU 16 N 0.72 0.23 -0.27 1.33 3.38 -0.92 -0.34 115.31 119.44 1ftt h LEU 16 Ca 0.19 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1ftt h LEU 16 Cb 0.01 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1ftt h LEU 16 CO -0.03 0.29 -0.07 -0.33 0.09 0.00 0.00 178.44 178.38 1ftt h GLU 17 N 0.16 0.53 -0.62 1.13 5.08 -0.76 0.74 114.58 120.84 1ftt h GLU 17 Ca 0.06 -0.21 0.12 0.00 -1.00 0.00 0.00 59.36 58.33 1ftt h GLU 17 Cb 0.11 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.25 1ftt h GLU 17 CO -0.01 0.74 0.14 -0.09 -1.00 0.00 0.00 179.01 178.79 1ftt h ARG 18 N 0.28 0.26 -0.45 2.33 2.43 -0.95 -0.07 114.38 118.21 1ftt h ARG 18 Ca 0.07 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 1ftt h ARG 18 Cb 0.55 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1ftt h ARG 18 CO 0.03 0.17 0.05 -0.09 -1.51 0.00 0.00 179.97 178.62 1ftt h ARG 19 N 0.27 0.76 -0.84 0.20 9.65 -0.87 -1.68 114.38 121.87 1ftt h ARG 19 Ca 0.33 -0.22 0.05 0.00 -1.10 0.00 0.00 59.98 59.05 1ftt h ARG 19 Cb 0.49 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 28.94 1ftt h ARG 19 CO -0.41 0.80 0.55 0.35 2.80 0.00 0.00 179.97 184.05 1ftt h PHE 20 N 0.62 0.96 -0.23 2.20 3.04 0.18 0.18 116.94 123.90 1ftt h PHE 20 Ca 0.13 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.04 1ftt h PHE 20 Cb 0.42 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.60 1ftt h PHE 20 CO 0.03 0.53 -0.12 -0.22 -2.02 0.00 0.00 178.31 176.50 1ftt h LYS 21 N 0.97 0.48 0.19 1.11 3.64 -0.92 -3.34 116.57 118.70 1ftt h LYS 21 Ca 0.35 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1ftt h LYS 21 Cb 0.15 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1ftt h LYS 21 CO -0.12 0.76 -0.09 0.37 -2.27 0.00 0.00 179.45 178.10 1ftt h GLN 22 N 0.19 -0.25 -1.92 1.90 5.75 -0.44 -3.45 115.11 116.89 1ftt h GLN 22 Ca 0.05 0.02 -0.29 0.00 -0.15 0.00 0.00 58.65 58.28 1ftt h GLN 22 Cb 0.63 0.06 -0.31 0.00 1.07 0.00 0.00 27.48 28.93 1ftt h GLN 22 CO 0.04 -0.16 -0.61 -0.65 -2.65 0.00 0.00 178.83 174.79 1ftt s GLN 23 N -2.36 0.45 0.01 1.69 -0.21 0.55 -5.07 119.66 114.72 1ftt s GLN 23 Ca -0.04 -0.25 -0.24 0.00 0.02 0.00 0.00 55.36 54.85 1ftt s GLN 23 Cb 0.00 -0.54 -0.13 0.00 1.00 0.00 0.00 33.01 33.34 1ftt s GLN 23 CO 0.11 -1.08 1.09 -0.22 -2.12 0.00 0.00 175.29 173.07 1ftt h LYS 24 N 7.88 -0.84 -6.18 2.91 3.11 -1.67 -3.39 116.57 118.39 1ftt h LYS 24 Ca -0.06 0.06 -0.52 0.00 -2.81 0.00 0.00 60.65 57.31 1ftt h LYS 24 Cb 1.09 0.19 -0.07 0.00 -1.00 0.00 0.00 32.23 32.44 1ftt h LYS 24 CO 0.27 -0.56 1.18 0.71 -2.81 0.00 0.00 179.45 178.24 1ftt s TYR 25 N -4.50 2.07 -0.01 1.91 2.02 -1.26 -4.83 117.35 112.75 1ftt s TYR 25 Ca -0.13 0.19 -0.30 0.00 -0.37 0.00 0.00 57.07 56.46 1ftt s TYR 25 Cb 0.01 -4.43 -0.05 0.00 -0.40 0.00 0.00 41.96 37.09 1ftt s TYR 25 CO 0.38 -2.12 1.46 -0.51 -1.57 0.00 0.00 175.55 173.19 1ftt s LEU 26 N 7.00 4.31 1.14 -1.29 1.02 -1.26 -5.03 118.68 124.57 1ftt s LEU 26 Ca 0.48 2.14 -0.18 0.00 0.02 0.00 0.00 54.13 56.59 1ftt s LEU 26 Cb -0.09 -3.55 0.26 0.00 0.02 0.00 0.00 46.19 42.83 1ftt s LEU 26 CO 0.14 -0.77 1.17 -0.94 0.02 0.00 0.00 176.35 175.96 1ftt s SER 27 N 2.17 1.53 0.18 2.29 1.04 -1.26 -4.52 113.70 115.13 1ftt s SER 27 Ca 0.66 0.53 -0.20 0.00 0.48 0.00 0.00 55.95 57.42 1ftt s SER 27 Cb -0.32 -0.72 0.12 0.00 0.10 0.00 0.00 66.02 65.20 1ftt s SER 27 CO 0.27 -3.74 1.61 0.00 0.98 0.00 0.00 173.24 172.36 1ftt h ALA 28 N -2.32 0.02 -0.09 5.32 0.00 -2.00 -0.00 119.26 120.19 1ftt h ALA 28 Ca -0.45 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1ftt h ALA 28 Cb 1.28 0.64 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 1ftt h ALA 28 CO 0.35 -0.63 -0.12 -1.00 0.00 0.00 0.00 179.25 177.86 1ftt h PRO 29 N -0.16 0.24 -0.94 0.00 0.13 -2.01 -3.25 132.00 126.01 1ftt h PRO 29 Ca 0.22 -0.14 0.11 0.00 -0.87 0.00 0.00 66.00 65.32 1ftt h PRO 29 Cb 0.51 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.57 1ftt h PRO 29 CO -0.58 0.69 0.58 0.93 -0.23 0.00 0.00 178.00 179.38 1ftt h GLU 30 N -0.18 0.92 -0.04 0.86 4.39 -1.82 -0.74 114.58 117.97 1ftt h GLU 30 Ca 0.01 -0.06 -0.17 0.00 0.34 0.00 0.00 59.36 59.49 1ftt h GLU 30 Cb 0.65 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1ftt h GLU 30 CO 0.03 0.61 -0.72 0.07 -1.16 0.00 0.00 179.01 177.84 1ftt h ARG 31 N 0.94 0.21 -0.32 2.33 0.11 -1.08 0.06 114.38 116.63 1ftt h ARG 31 Ca 0.46 -0.17 -0.10 0.00 0.10 0.00 0.00 59.98 60.26 1ftt h ARG 31 Cb 0.41 0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.52 1ftt h ARG 31 CO -0.25 0.84 -0.20 0.93 0.10 0.00 0.00 179.97 181.38 1ftt h GLU 32 N 0.14 0.70 0.04 0.08 3.07 -1.47 0.20 114.58 117.34 1ftt h GLU 32 Ca -0.02 -0.32 0.01 0.00 -0.50 0.00 0.00 59.36 58.53 1ftt h GLU 32 Cb 1.27 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.15 1ftt h GLU 32 CO 0.11 0.93 -0.10 0.45 -1.40 0.00 0.00 179.01 179.00 1ftt h HIS 33 N 0.46 -0.26 0.49 4.33 3.86 -0.95 -1.38 115.15 121.70 1ftt h HIS 33 Ca 0.06 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 1ftt h HIS 33 Cb 0.75 0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.32 1ftt h HIS 33 CO 0.06 -0.16 -0.32 1.25 0.86 0.00 0.00 177.93 179.63 1ftt h LEU 34 N -0.20 -0.80 -0.92 2.43 5.85 -1.02 -0.61 115.31 120.05 1ftt h LEU 34 Ca 0.03 0.05 0.16 0.00 0.84 0.00 0.00 57.88 58.96 1ftt h LEU 34 Cb 0.22 0.24 -0.10 0.00 0.37 0.00 0.00 40.66 41.39 1ftt h LEU 34 CO -0.07 -0.49 0.52 0.00 -0.34 0.00 0.00 178.44 178.05 1ftt h ALA 35 N -0.34 1.45 0.25 1.25 0.00 -0.77 0.14 119.26 121.24 1ftt h ALA 35 Ca -0.06 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ftt h ALA 35 Cb 0.64 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ftt h ALA 35 CO 0.05 -0.06 -0.12 1.03 0.00 0.00 0.00 179.25 180.15 1ftt h SER 36 N 0.70 -0.28 0.73 0.00 0.87 -1.20 -1.61 113.55 112.76 1ftt h SER 36 Ca 0.51 -0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 60.81 1ftt h SER 36 Cb 0.75 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 1ftt h SER 36 CO -0.37 0.12 -0.50 -0.03 -0.53 0.00 0.00 176.83 175.53 1ftt h MET 37 N -0.74 -1.12 -0.01 2.24 -1.53 0.32 -3.26 114.93 110.83 1ftt h MET 37 Ca -0.03 0.08 -0.01 0.00 -3.44 0.00 0.00 59.70 56.30 1ftt h MET 37 Cb 0.50 0.26 -0.00 0.00 -0.55 0.00 0.00 31.60 31.80 1ftt h MET 37 CO 0.06 -0.75 -0.01 -0.84 0.14 0.00 0.00 176.91 175.50 1ftt h ILE 38 N -1.17 1.38 0.00 1.77 3.07 -0.96 -3.49 117.51 118.11 1ftt h ILE 38 Ca -0.10 -1.14 0.00 0.00 1.55 0.00 0.00 64.86 65.17 1ftt h ILE 38 Cb 0.95 2.12 0.00 0.00 -0.27 0.00 0.00 36.82 39.62 1ftt h ILE 38 CO 0.07 0.30 0.00 1.41 -1.05 0.00 0.00 178.15 178.88 1ftt n HIS 39 N -4.83 0.00 -3.99 0.16 8.25 -0.99 -4.93 115.22 108.89 1ftt n HIS 39 Ca -0.08 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.26 1ftt n HIS 39 Cb 0.26 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.34 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 -4.80 2.41 4.32 -0.64 -5.00 117.00 113.29 1ftt n LEU 40 Ca 0.00 -2.26 -0.25 0.00 -0.02 0.00 0.00 56.01 53.48 1ftt n LEU 40 Cb 0.00 1.90 -0.05 0.00 -1.62 0.00 0.00 43.42 43.65 1ftt n LEU 40 CO 0.00 -0.50 -0.21 0.42 -1.22 0.00 0.00 177.39 175.88 1ftt s THR 41 N -2.77 4.45 0.52 -5.08 -4.23 -1.26 -4.50 115.64 102.78 1ftt s THR 41 Ca 0.24 -1.17 0.22 0.00 -1.18 0.00 0.00 61.69 59.80 1ftt s THR 41 Cb -0.00 -3.31 0.36 0.00 1.34 0.00 0.00 72.50 70.89 1ftt s THR 41 CO 0.17 -0.17 2.03 1.55 -0.54 0.00 0.00 174.62 177.66 1ftt h PRO 42 N 2.19 0.02 0.18 3.99 0.13 -1.94 0.20 132.00 136.76 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 1.21 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ftt h PRO 42 CO 0.62 0.01 -0.09 1.15 -0.23 0.00 0.00 178.00 179.47 1ftt h THR 43 N 0.02 0.90 -0.64 1.56 2.02 -1.98 -2.05 112.91 112.74 1ftt h THR 43 Ca 0.19 -0.94 -0.05 0.00 0.77 0.00 0.00 66.41 66.38 1ftt h THR 43 Cb 0.74 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 1ftt h THR 43 CO -0.01 0.20 0.21 -0.61 0.37 0.00 0.00 175.52 175.68 1ftt h GLN 44 N -0.75 0.96 -0.05 6.66 4.15 -1.81 -1.07 115.11 123.20 1ftt h GLN 44 Ca -0.02 -0.18 0.02 0.00 0.77 0.00 0.00 58.65 59.23 1ftt h GLN 44 Cb 0.51 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.00 1ftt h GLN 44 CO 0.04 0.82 -0.40 0.28 -1.93 0.00 0.00 178.83 177.64 1ftt h VAL 45 N 0.93 0.00 -0.88 2.39 2.07 -1.07 -2.41 116.25 117.28 1ftt h VAL 45 Ca 0.21 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.90 1ftt h VAL 45 Cb 0.25 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.92 1ftt h VAL 45 CO -0.01 0.00 0.46 0.50 0.02 0.00 0.00 177.57 178.54 1ftt h LYS 46 N -0.46 0.59 0.23 1.57 3.64 -0.54 -0.70 116.57 120.92 1ftt h LYS 46 Ca 0.02 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1ftt h LYS 46 Cb 0.51 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1ftt h LYS 46 CO -0.29 0.39 -0.18 0.82 -2.27 0.00 0.00 179.45 177.92 1ftt h ILE 47 N 0.61 0.61 -0.67 2.00 2.04 -1.10 -0.00 117.51 121.00 1ftt h ILE 47 Ca 0.50 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.42 1ftt h ILE 47 Cb 0.76 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 37.39 1ftt h ILE 47 CO -0.39 0.00 0.36 -0.25 0.00 0.00 0.00 178.15 177.87 1ftt h TRP 48 N -0.42 0.66 -0.54 1.37 7.01 -0.78 -0.68 115.95 122.56 1ftt h TRP 48 Ca -0.01 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.02 1ftt h TRP 48 Cb 0.38 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.21 1ftt h TRP 48 CO -0.12 0.30 0.35 0.74 -2.79 0.00 0.00 178.44 176.92 1ftt h PHE 49 N 0.66 0.67 -0.12 2.65 0.04 -0.84 -1.80 116.94 118.20 1ftt h PHE 49 Ca 0.31 0.02 0.02 0.00 2.80 0.00 0.00 57.97 61.11 1ftt h PHE 49 Cb 0.22 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 1ftt h PHE 49 CO -0.09 0.41 0.01 0.37 -0.60 0.00 0.00 178.31 178.42 1ftt h GLN 50 N 0.72 0.06 -0.94 1.51 -0.00 -0.59 -2.99 115.11 112.88 1ftt h GLN 50 Ca 0.20 -0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.88 1ftt h GLN 50 Cb -0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 27.48 27.35 1ftt h GLN 50 CO -0.06 0.04 0.61 -0.91 0.00 0.00 0.00 178.83 178.51 1ftt h ASN 51 N 0.06 1.02 -0.42 -0.69 2.35 -0.55 0.27 115.58 117.62 1ftt h ASN 51 Ca 0.05 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 1ftt h ASN 51 Cb 0.05 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1ftt h ASN 51 CO -0.08 0.71 0.10 0.45 -1.65 0.00 0.00 177.43 176.96 1ftt h HIS 52 N 1.19 0.71 -0.43 1.19 3.86 -1.34 -0.46 115.15 119.88 1ftt h HIS 52 Ca 0.37 -0.09 0.03 0.00 -1.16 0.00 0.00 60.37 59.53 1ftt h HIS 52 Cb -0.02 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.22 1ftt h HIS 52 CO -0.01 0.67 0.22 -0.09 0.86 0.00 0.00 177.93 179.58 1ftt h ARG 53 N 0.55 0.43 -0.23 2.45 1.12 -1.21 -2.25 114.38 115.23 1ftt h ARG 53 Ca 0.13 -0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 58.98 1ftt h ARG 53 Cb 0.32 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.17 1ftt h ARG 53 CO 0.00 0.28 0.14 -0.92 -3.11 0.00 0.00 179.97 176.36 1ftt h TYR 54 N 0.44 0.30 0.38 2.20 3.20 -0.83 -2.71 116.97 119.95 1ftt h TYR 54 Ca 0.18 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 1ftt h TYR 54 Cb 0.08 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 1ftt h TYR 54 CO -0.10 0.22 -0.33 -0.22 -1.64 0.00 0.00 178.16 176.09 1ftt h LYS 55 N 0.29 -0.70 -0.79 1.82 1.63 -0.84 -0.12 116.57 117.86 1ftt h LYS 55 Ca 0.08 0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.89 1ftt h LYS 55 Cb 0.01 0.16 -0.04 0.00 -0.60 0.00 0.00 32.23 31.76 1ftt h LYS 55 CO -0.02 -0.46 0.32 0.00 -3.45 0.00 0.00 179.45 175.84 1ftt h MET 56 N -0.72 1.18 -0.11 1.90 -0.00 -1.42 -0.78 114.93 114.97 1ftt h MET 56 Ca -0.03 -0.21 -0.21 0.00 -0.00 0.00 0.00 59.70 59.25 1ftt h MET 56 Cb 0.64 -0.19 0.00 0.00 -0.00 0.00 0.00 31.60 32.05 1ftt h MET 56 CO -0.03 0.96 -0.78 1.57 -0.00 0.00 0.00 176.91 178.63 1ftt h LYS 57 N 1.15 0.62 0.14 -0.10 5.09 -1.45 -3.38 116.57 118.65 1ftt h LYS 57 Ca 0.27 -0.52 -0.01 0.00 0.09 0.00 0.00 60.65 60.48 1ftt h LYS 57 Cb 0.21 0.11 0.00 0.00 0.10 0.00 0.00 32.23 32.65 1ftt h LYS 57 CO -0.02 1.14 -0.07 -0.09 -2.09 0.00 0.00 179.45 178.32 1ftt h ARG 58 N 0.42 -0.18 -0.67 0.07 9.65 -0.70 -3.47 114.38 119.49 1ftt h ARG 58 Ca -0.05 0.01 0.18 0.00 -1.10 0.00 0.00 59.98 59.03 1ftt h ARG 58 Cb 1.38 0.04 -0.21 0.00 -1.39 0.00 0.00 29.97 29.79 1ftt h ARG 58 CO 0.15 -0.12 0.03 -1.14 2.80 0.00 0.00 179.97 181.69 1ftt s GLN 59 N -2.48 0.32 -0.00 0.20 0.74 -0.33 -5.09 119.66 113.02 1ftt s GLN 59 Ca -0.03 0.62 0.00 0.00 0.05 0.00 0.00 55.36 56.01 1ftt s GLN 59 Cb 0.00 0.35 0.00 0.00 1.10 0.00 0.00 33.01 34.47 1ftt s GLN 59 CO 0.08 -0.30 -0.01 0.00 -0.55 0.00 0.00 175.29 174.51 1ftt s ALA 60 N 2.84 0.08 -0.39 1.58 0.00 -1.24 -4.73 121.76 119.90 1ftt s ALA 60 Ca 0.05 -0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.02 1ftt s ALA 60 Cb -0.11 -0.04 0.16 0.00 0.00 0.00 0.00 23.12 23.13 1ftt s ALA 60 CO -0.15 0.01 0.30 0.15 0.00 0.00 0.00 175.76 176.07 1ftt s LYS 61 N 0.06 0.74 0.45 0.00 1.02 -1.26 -5.03 119.74 115.72 1ftt s LYS 61 Ca -0.00 -1.66 0.10 0.00 0.02 0.00 0.00 55.97 54.42 1ftt s LYS 61 Cb -0.01 -1.26 0.99 0.00 -0.52 0.00 0.00 37.83 37.03 1ftt s LYS 61 CO -0.00 -1.30 2.08 -0.44 -0.92 0.00 0.00 175.35 174.76 1ftt h ASP 62 N 6.27 0.29 -3.96 2.83 5.19 -2.01 -3.48 116.42 121.54 1ftt h ASP 62 Ca 0.16 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1ftt h ASP 62 Cb 0.95 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.39 1ftt h ASP 62 CO 0.30 0.23 -0.43 1.17 -3.12 0.00 0.00 179.24 177.39 1ftt n LYS 63 N -4.48 -1.54 -2.28 3.56 0.00 -1.26 -5.00 118.16 107.16 1ftt n LYS 63 Ca 0.01 1.51 -0.41 0.00 0.00 0.00 0.00 58.31 59.42 1ftt n LYS 63 Cb 0.09 -3.01 -0.03 0.00 0.00 0.00 0.00 35.03 32.08 1ftt n LYS 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ftt s ALA 64 N -0.81 3.47 0.00 3.14 0.00 -1.26 -4.68 121.76 121.62 1ftt s ALA 64 Ca 0.01 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1ftt s ALA 64 Cb -0.00 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1ftt s ALA 64 CO 0.35 -0.44 0.00 0.00 0.00 0.00 0.00 175.76 175.67 1ftt n ALA 65 N 1.60 0.00 0.05 0.00 0.00 -1.26 -4.89 120.51 116.01 1ftt n ALA 65 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.31 1ftt n ALA 65 Cb 0.43 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.74 1ftt n ALA 65 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1ftt h GLN 66 N 0.00 0.20 -0.03 0.00 -0.00 -2.01 -3.58 115.11 109.69 1ftt h GLN 66 Ca 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 58.65 58.31 1ftt h GLN 66 Cb 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 27.48 27.61 1ftt h GLN 66 CO 0.00 1.04 0.00 0.00 -0.00 0.00 0.00 178.83 179.87