#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1faf n ASP 2 N 0.00 3.20 -3.36 7.83 2.03 -1.26 -4.44 116.55 120.55 1faf n ASP 2 Ca 0.00 -2.36 -0.26 0.00 0.52 0.00 0.00 54.79 52.69 1faf n ASP 2 Cb 0.00 -0.51 -0.09 0.00 -0.72 0.00 0.00 41.12 39.80 1faf n ASP 2 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1faf n ARG 3 N 0.45 0.70 -4.01 -0.67 1.74 -1.26 -5.09 116.66 108.53 1faf n ARG 3 Ca 0.15 -3.41 -0.21 0.00 -0.77 0.00 0.00 57.85 53.61 1faf n ARG 3 Cb 0.65 -1.59 -0.17 0.00 -1.02 0.00 0.00 32.46 30.33 1faf n ARG 3 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1faf s VAL 4 N -0.74 0.47 0.16 1.55 -7.23 -1.26 -4.90 120.40 108.45 1faf s VAL 4 Ca 0.34 -0.03 -0.16 0.00 -1.81 0.00 0.00 61.98 60.31 1faf s VAL 4 Cb 0.09 -0.55 -0.07 0.00 0.56 0.00 0.00 36.38 36.41 1faf s VAL 4 CO -0.15 0.24 0.60 -1.48 -0.31 0.00 0.00 175.10 174.00 1faf s LEU 5 N 1.30 4.36 0.00 1.32 0.05 -1.26 -5.09 118.68 119.35 1faf s LEU 5 Ca -0.05 1.19 -0.00 0.00 0.05 0.00 0.00 54.13 55.32 1faf s LEU 5 Cb -0.14 -3.31 0.00 0.00 -2.05 0.00 0.00 46.19 40.69 1faf s LEU 5 CO -0.02 0.10 0.01 -1.54 -0.55 0.00 0.00 176.35 174.35 1faf n SER 6 N 0.88 0.01 -0.10 1.48 3.41 -1.26 -4.72 113.62 113.32 1faf n SER 6 Ca -0.05 -1.01 0.00 0.00 -0.26 0.00 0.00 58.87 57.55 1faf n SER 6 Cb 0.51 -0.01 0.29 0.00 -0.26 0.00 0.00 64.21 64.75 1faf n SER 6 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1faf h ARG 7 N 0.00 0.74 -0.38 4.33 3.08 -1.98 0.89 114.38 121.06 1faf h ARG 7 Ca -0.00 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 1faf h ARG 7 Cb 0.01 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1faf h ARG 7 CO 0.00 0.58 -0.11 0.00 -1.07 0.00 0.00 179.97 179.38 1faf h ALA 8 N 1.53 0.53 0.17 0.04 0.00 -1.98 -0.98 119.26 118.56 1faf h ALA 8 Ca 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1faf h ALA 8 Cb 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1faf h ALA 8 CO -0.02 0.40 -0.08 -0.44 0.00 0.00 0.00 179.25 179.11 1faf h ASP 9 N 0.55 -0.19 -0.65 0.00 3.32 -1.83 -2.68 116.42 114.94 1faf h ASP 9 Ca 0.09 -0.34 0.13 0.00 0.02 0.00 0.00 57.03 56.93 1faf h ASP 9 Cb 0.63 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 1faf h ASP 9 CO 0.04 0.35 0.44 0.07 -1.72 0.00 0.00 179.24 178.42 1faf h LYS 10 N -0.85 0.30 -0.45 3.56 5.09 -0.91 0.19 116.57 123.50 1faf h LYS 10 Ca -0.02 -0.02 -0.09 0.00 0.09 0.00 0.00 60.65 60.61 1faf h LYS 10 Cb 0.52 -0.07 -0.02 0.00 0.10 0.00 0.00 32.23 32.77 1faf h LYS 10 CO 0.04 0.20 -0.08 0.93 -2.09 0.00 0.00 179.45 178.45 1faf h GLU 11 N 0.31 0.80 -0.58 0.07 4.39 -1.16 -2.48 114.58 115.92 1faf h GLU 11 Ca 0.31 -0.25 -0.05 0.00 0.34 0.00 0.00 59.36 59.71 1faf h GLU 11 Cb 0.78 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 1faf h GLU 11 CO -0.08 0.86 0.16 -0.09 -1.16 0.00 0.00 179.01 178.70 1faf h ARG 12 N 0.73 0.89 -0.32 2.33 9.65 -0.29 -1.61 114.38 125.76 1faf h ARG 12 Ca 0.13 -0.18 -0.04 0.00 -1.10 0.00 0.00 59.98 58.79 1faf h ARG 12 Cb 0.56 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.99 1faf h ARG 12 CO 0.03 0.78 0.02 1.25 2.80 0.00 0.00 179.97 184.86 1faf h LEU 13 N 0.86 0.45 -0.54 3.80 5.85 -1.00 -2.41 115.31 122.32 1faf h LEU 13 Ca 0.19 -0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.70 1faf h LEU 13 Cb 0.28 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1faf h LEU 13 CO -0.00 0.50 -0.29 -0.07 -0.34 0.00 0.00 178.44 178.24 1faf h LEU 14 N 0.47 0.91 -0.57 2.25 3.38 -0.89 -2.25 115.31 118.61 1faf h LEU 14 Ca 0.10 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.74 1faf h LEU 14 Cb 0.28 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1faf h LEU 14 CO 0.01 1.13 0.33 -0.33 0.09 0.00 0.00 178.44 179.67 1faf h GLU 15 N 0.74 0.64 0.00 1.13 4.39 -0.88 -0.64 114.58 119.95 1faf h GLU 15 Ca 0.09 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1faf h GLU 15 Cb 0.84 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1faf h GLU 15 CO 0.07 0.42 0.00 1.28 -1.16 0.00 0.00 179.01 179.62 1faf n LEU 16 N -4.78 0.50 0.03 1.33 4.77 -1.13 -2.92 117.00 114.80 1faf n LEU 16 Ca 0.05 0.57 0.12 0.00 -0.03 0.00 0.00 56.01 56.71 1faf n LEU 16 Cb 0.09 -0.43 0.16 0.00 -2.33 0.00 0.00 43.42 40.92 1faf n LEU 16 CO 0.32 -0.21 0.30 0.18 -1.33 0.00 0.00 177.39 176.64 1faf n LEU 17 N -1.99 0.61 -1.29 2.23 7.99 -0.35 -4.78 117.00 119.42 1faf n LEU 17 Ca 0.05 0.07 -0.14 0.00 -0.01 0.00 0.00 56.01 55.97 1faf n LEU 17 Cb 0.34 -0.19 -0.06 0.00 -0.11 0.00 0.00 43.42 43.41 1faf n LEU 17 CO 0.26 0.05 -0.14 0.29 -1.51 0.00 0.00 177.39 176.34 1faf n LYS 18 N -1.82 -1.44 -3.72 3.23 4.01 -0.61 -4.67 118.16 113.15 1faf n LYS 18 Ca 0.04 0.89 -0.38 0.00 -0.51 0.00 0.00 58.31 58.35 1faf n LYS 18 Cb 0.40 -5.16 -0.12 0.00 -0.51 0.00 0.00 35.03 29.64 1faf n LYS 18 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1faf s LEU 19 N -3.63 4.00 0.00 -0.35 0.20 -1.22 -5.09 118.68 112.59 1faf s LEU 19 Ca 0.00 -0.68 -0.14 0.00 0.69 0.00 0.00 54.13 54.00 1faf s LEU 19 Cb 0.00 -1.93 0.23 0.00 -0.43 0.00 0.00 46.19 44.06 1faf s LEU 19 CO 0.00 -0.21 0.51 -2.65 -0.29 0.00 0.00 176.35 173.71 1faf n PRO 20 N 4.91 -2.16 0.09 0.98 -0.02 -1.26 -4.82 135.00 132.73 1faf n PRO 20 Ca -0.14 -0.85 0.02 0.00 -2.02 0.00 0.00 63.50 60.50 1faf n PRO 20 Cb 0.48 -1.49 -0.02 0.00 -0.02 0.00 0.00 33.50 32.45 1faf n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1faf h ARG 21 N 0.00 0.00 0.00 -0.52 3.08 -1.99 -3.28 114.38 111.68 1faf h ARG 21 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1faf h ARG 21 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1faf h ARG 21 CO 0.14 0.38 0.00 0.94 -1.07 0.00 0.00 179.97 180.36 1faf n GLN 22 N -3.05 0.04 -0.25 0.04 7.27 -1.26 -1.81 117.38 118.36 1faf n GLN 22 Ca -0.03 0.32 0.03 0.00 0.07 0.00 0.00 57.00 57.39 1faf n GLN 22 Cb 0.77 -1.50 0.04 0.00 2.41 0.00 0.00 30.24 31.95 1faf n GLN 22 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 1faf n LEU 23 N -1.41 0.79 0.21 1.69 -0.00 -1.24 -4.82 117.00 112.23 1faf n LEU 23 Ca 0.02 -1.44 0.18 0.00 -0.00 0.00 0.00 56.01 54.76 1faf n LEU 23 Cb 0.06 -0.11 0.78 0.00 -0.00 0.00 0.00 43.42 44.15 1faf n LEU 23 CO 0.05 0.35 1.15 -0.25 -0.00 0.00 0.00 177.39 178.69 1faf h TRP 24 N 0.00 0.00 0.00 1.47 -0.00 -1.42 0.30 115.95 116.31 1faf h TRP 24 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.89 58.79 1faf h TRP 24 Cb 1.14 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 30.28 1faf h TRP 24 CO 0.05 0.00 -1.59 0.41 -0.00 0.00 0.00 178.44 177.31 1faf n GLY 25 N -1.36 -1.19 3.55 2.65 0.00 -1.26 -4.82 105.19 102.76 1faf n GLY 25 Ca 0.03 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 1faf n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1faf n ASP 26 N -2.63 1.83 -0.19 1.61 -0.08 0.11 -4.77 116.55 112.43 1faf n ASP 26 Ca -0.08 -1.07 0.04 0.00 -1.51 0.00 0.00 54.79 52.17 1faf n ASP 26 Cb 0.72 -1.58 0.31 0.00 2.34 0.00 0.00 41.12 42.91 1faf n ASP 26 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1faf h PHE 27 N 15.13 0.83 -0.24 -0.67 3.57 -1.88 -0.58 116.94 133.12 1faf h PHE 27 Ca -0.09 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.31 1faf h PHE 27 Cb 1.11 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 1faf h PHE 27 CO 1.10 0.47 -0.37 0.78 -2.23 0.00 0.00 178.31 178.06 1faf h GLY 28 N 0.85 0.58 1.61 2.40 0.00 -1.96 -2.51 103.07 104.05 1faf h GLY 28 Ca 0.30 -0.56 -0.21 0.00 0.00 0.00 0.00 47.33 46.86 1faf h GLY 28 CO -0.09 0.50 -1.15 3.21 0.00 0.00 0.00 176.54 179.01 1faf h ARG 29 N 0.45 0.00 -0.09 4.80 2.47 -1.78 -2.93 114.38 117.29 1faf h ARG 29 Ca 0.04 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.65 1faf h ARG 29 Cb 0.85 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 1faf h ARG 29 CO 0.07 0.70 -0.38 0.00 0.56 0.00 0.00 179.97 180.92 1faf h MET 30 N 0.00 0.42 -0.31 0.04 -0.00 -1.12 -2.52 114.93 111.44 1faf h MET 30 Ca -0.10 -0.33 -0.12 0.00 -0.00 0.00 0.00 59.70 59.15 1faf h MET 30 Cb 1.75 0.06 -0.01 0.00 -0.00 0.00 0.00 31.60 33.40 1faf h MET 30 CO 0.10 0.96 -0.30 0.37 -0.00 0.00 0.00 176.91 178.04 1faf h GLN 31 N -0.03 0.66 -0.75 -0.10 4.15 -1.59 0.36 115.11 117.82 1faf h GLN 31 Ca -0.02 -0.29 -0.01 0.00 0.77 0.00 0.00 58.65 59.09 1faf h GLN 31 Cb 1.02 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.66 1faf h GLN 31 CO 0.08 0.88 0.41 0.37 -1.93 0.00 0.00 178.83 178.64 1faf h GLN 32 N 0.56 1.04 0.06 1.69 4.15 -1.54 -2.49 115.11 118.59 1faf h GLN 32 Ca 0.07 -0.11 -0.23 0.00 0.77 0.00 0.00 58.65 59.14 1faf h GLN 32 Cb 0.80 -0.21 0.02 0.00 0.21 0.00 0.00 27.48 28.30 1faf h GLN 32 CO 0.07 0.76 -0.95 0.00 -1.93 0.00 0.00 178.83 176.78 1faf h ALA 33 N 1.41 0.04 -0.70 3.38 0.00 -1.17 -2.26 119.26 119.95 1faf h ALA 33 Ca 0.27 -0.68 0.15 0.00 0.00 0.00 0.00 54.91 54.64 1faf h ALA 33 Cb 0.02 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.79 1faf h ALA 33 CO -0.04 0.54 0.15 -0.92 0.00 0.00 0.00 179.25 178.98 1faf h TYR 34 N 0.10 0.24 0.02 0.00 5.03 -0.66 0.75 116.97 122.46 1faf h TYR 34 Ca -0.14 0.04 -0.23 0.00 2.58 0.00 0.00 58.73 60.98 1faf h TYR 34 Cb 1.65 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.93 1faf h TYR 34 CO 0.13 -0.08 -0.99 0.87 -1.32 0.00 0.00 178.16 176.78 1faf h LYS 35 N 0.26 0.41 -0.28 1.82 1.57 -1.53 -0.99 116.57 117.82 1faf h LYS 35 Ca 0.39 -0.46 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 1faf h LYS 35 Cb 0.64 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 1faf h LYS 35 CO -0.49 1.13 -0.16 0.37 -0.57 0.00 0.00 179.45 179.73 1faf h GLN 36 N 0.22 0.50 0.00 3.15 5.75 -0.51 -2.02 115.11 122.19 1faf h GLN 36 Ca -0.09 -0.16 -0.00 0.00 -0.15 0.00 0.00 58.65 58.25 1faf h GLN 36 Cb 1.63 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 30.14 1faf h GLN 36 CO 0.17 0.65 -0.77 1.96 -2.65 0.00 0.00 178.83 178.19 1faf h GLN 37 N 0.45 0.00 0.00 1.69 1.08 0.44 -3.33 115.11 115.45 1faf h GLN 37 Ca 0.08 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.08 1faf h GLN 37 Cb 0.55 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 1faf h GLN 37 CO 0.04 0.01 -0.87 0.66 -0.95 0.00 0.00 178.83 177.71 1faf h SER 38 N 0.00 0.23 -0.23 1.46 4.64 -0.83 -2.50 113.55 116.32 1faf h SER 38 Ca -0.00 -0.19 -0.07 0.00 -0.47 0.00 0.00 61.79 61.06 1faf h SER 38 Cb 1.01 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 1faf h SER 38 CO 0.00 0.99 -0.08 -0.07 -0.87 0.00 0.00 176.83 176.80 1faf h LEU 39 N 0.10 0.58 0.00 5.97 3.38 -1.48 -2.27 115.31 121.59 1faf h LEU 39 Ca -0.04 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1faf h LEU 39 Cb 1.50 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1faf h LEU 39 CO 0.13 0.70 -0.47 0.17 0.09 0.00 0.00 178.44 179.06 1faf h LEU 40 N 0.56 0.00 -1.91 1.67 8.10 -1.68 -3.23 115.31 118.81 1faf h LEU 40 Ca 0.10 -0.14 0.00 0.00 0.11 0.00 0.00 57.88 57.95 1faf h LEU 40 Cb 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.70 1faf h LEU 40 CO 0.03 0.07 0.00 0.18 -4.11 0.00 0.00 178.44 174.61 1faf n LEU 41 N -2.22 2.82 -4.77 0.17 4.77 -0.92 -4.66 117.00 112.19 1faf n LEU 41 Ca 0.04 -1.31 -0.40 0.00 -0.03 0.00 0.00 56.01 54.31 1faf n LEU 41 Cb 0.45 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1faf n LEU 41 CO 0.35 0.65 0.87 -2.28 -1.33 0.00 0.00 177.39 175.65 1faf s HIS 42 N -1.45 3.20 0.31 -1.77 2.46 -0.90 -4.40 115.29 112.75 1faf s HIS 42 Ca 0.36 1.55 0.37 0.00 0.47 0.00 0.00 55.06 57.82 1faf s HIS 42 Cb 0.20 -3.45 1.86 0.00 -0.13 0.00 0.00 32.58 31.06 1faf s HIS 42 CO 0.27 -1.26 2.13 -1.00 -2.47 0.00 0.00 174.74 172.41 1faf h PRO 43 N 3.18 0.00 0.00 2.88 0.13 -1.89 -2.10 132.00 134.20 1faf h PRO 43 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1faf h PRO 43 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1faf h PRO 43 CO 0.65 0.00 -0.82 -0.44 -0.23 0.00 0.00 178.00 177.15 1faf h ASP 44 N 0.00 0.00 -0.96 1.44 3.32 -1.91 -3.32 116.42 114.99 1faf h ASP 44 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 1faf h ASP 44 Cb 0.20 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 39.46 1faf h ASP 44 CO 0.00 0.03 0.64 0.29 -1.72 0.00 0.00 179.24 178.47 1faf n LYS 45 N -2.77 2.21 -2.70 3.56 4.76 -0.79 -4.93 118.16 117.49 1faf n LYS 45 Ca 0.00 -2.89 -0.04 0.00 -2.87 0.00 0.00 58.31 52.52 1faf n LYS 45 Cb 0.56 -2.13 0.00 0.00 -1.84 0.00 0.00 35.03 31.62 1faf n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1faf n GLY 46 N -1.07 -1.15 3.70 0.72 0.00 -1.24 -4.87 105.19 101.29 1faf n GLY 46 Ca 0.58 0.72 -0.10 0.00 0.00 0.00 0.00 46.02 47.22 1faf n GLY 46 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1faf s GLY 47 N -2.57 0.52 -0.28 -0.02 0.00 -1.19 -4.96 107.32 98.83 1faf s GLY 47 Ca 0.11 -0.83 -0.20 0.00 0.00 0.00 0.00 44.72 43.80 1faf s GLY 47 CO 0.63 -0.47 0.62 -0.56 0.00 0.00 0.00 173.10 173.32 1faf s SER 48 N -3.05 6.52 0.23 1.64 0.01 -1.26 -4.53 113.70 113.26 1faf s SER 48 Ca 0.19 0.55 -0.08 0.00 1.31 0.00 0.00 55.95 57.92 1faf s SER 48 Cb -0.03 -2.33 0.22 0.00 0.21 0.00 0.00 66.02 64.09 1faf s SER 48 CO 0.11 -0.42 1.89 1.12 0.41 0.00 0.00 173.24 176.35 1faf h HIS 49 N 8.05 1.03 -0.81 2.43 2.07 -1.93 -2.13 115.15 123.86 1faf h HIS 49 Ca -0.27 0.03 0.14 0.00 -2.85 0.00 0.00 60.37 57.41 1faf h HIS 49 Cb 1.12 -0.34 -0.06 0.00 2.57 0.00 0.00 27.41 30.70 1faf h HIS 49 CO 0.76 0.62 0.53 0.00 -3.07 0.00 0.00 177.93 176.77 1faf h ALA 50 N 1.32 1.95 0.36 6.11 0.00 -1.94 -2.24 119.26 124.82 1faf h ALA 50 Ca 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1faf h ALA 50 Cb -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1faf h ALA 50 CO -0.09 -0.16 -0.17 -0.07 0.00 0.00 0.00 179.25 178.76 1faf h LEU 51 N 0.57 -0.41 -0.78 0.00 4.07 -1.75 0.55 115.31 117.55 1faf h LEU 51 Ca 0.39 -0.08 0.12 0.00 0.08 0.00 0.00 57.88 58.40 1faf h LEU 51 Cb 0.72 0.11 -0.08 0.00 1.08 0.00 0.00 40.66 42.48 1faf h LEU 51 CO -0.15 -0.16 0.39 -0.03 -1.08 0.00 0.00 178.44 177.41 1faf h MET 52 N -0.65 0.58 -0.18 1.13 4.05 -1.37 -0.09 114.93 118.39 1faf h MET 52 Ca -0.05 -0.03 -0.13 0.00 -0.28 0.00 0.00 59.70 59.20 1faf h MET 52 Cb 0.47 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 1faf h MET 52 CO 0.08 0.38 -0.46 1.96 0.23 0.00 0.00 176.91 179.11 1faf h GLN 53 N 0.60 0.45 -0.52 0.39 1.08 -1.33 -2.87 115.11 112.91 1faf h GLN 53 Ca 0.41 -0.24 -0.06 0.00 -1.45 0.00 0.00 58.65 57.31 1faf h GLN 53 Cb 0.53 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.95 1faf h GLN 53 CO -0.33 0.82 0.10 1.49 -0.95 0.00 0.00 178.83 179.95 1faf h GLU 54 N 0.37 0.80 -0.29 1.46 4.81 0.84 -2.49 114.58 120.07 1faf h GLU 54 Ca 0.02 -0.17 -0.11 0.00 -0.13 0.00 0.00 59.36 58.97 1faf h GLU 54 Cb 0.94 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 1faf h GLU 54 CO 0.08 0.75 -0.26 1.25 -0.73 0.00 0.00 179.01 180.10 1faf h LEU 55 N 0.77 0.58 -1.54 1.64 5.85 -0.98 -2.72 115.31 118.92 1faf h LEU 55 Ca 0.17 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1faf h LEU 55 Cb 0.33 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1faf h LEU 55 CO 0.00 0.83 -0.06 0.78 -0.34 0.00 0.00 178.44 179.65 1faf h ASN 56 N 0.50 0.20 -0.07 1.25 2.35 -1.23 0.42 115.58 119.00 1faf h ASN 56 Ca 0.07 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 1faf h ASN 56 Cb 0.71 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 39.03 1faf h ASN 56 CO 0.05 0.30 -0.10 -1.28 -1.65 0.00 0.00 177.43 174.76 1faf h SER 57 N 0.21 0.21 0.52 5.81 0.87 -1.30 0.53 113.55 120.40 1faf h SER 57 Ca 0.05 -0.52 -0.11 0.00 -1.23 0.00 0.00 61.79 59.98 1faf h SER 57 Cb 0.26 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 1faf h SER 57 CO 0.01 0.68 -0.51 -0.07 -0.53 0.00 0.00 176.83 176.42 1faf h LEU 58 N -0.26 0.00 0.00 2.23 3.38 -1.35 -2.72 115.31 116.59 1faf h LEU 58 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1faf h LEU 58 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1faf h LEU 58 CO 0.02 0.51 -0.73 -0.25 0.09 0.00 0.00 178.44 178.07 1faf h TRP 59 N 0.00 0.00 0.14 1.13 2.91 -0.91 -3.18 115.95 116.04 1faf h TRP 59 Ca -0.01 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 1faf h TRP 59 Cb 0.90 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.55 1faf h TRP 59 CO 0.00 0.00 -0.07 0.78 -1.03 0.00 0.00 178.44 178.12 1faf h GLY 60 N 4.17 -0.20 0.33 2.65 0.00 0.37 -0.96 103.07 109.43 1faf h GLY 60 Ca 0.00 0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.47 1faf h GLY 60 CO 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 176.54 176.39 1faf h THR 61 N -0.54 0.67 -0.78 4.70 1.03 -1.70 0.11 112.91 116.41 1faf h THR 61 Ca -0.02 -0.00 0.16 0.00 -0.01 0.00 0.00 66.41 66.54 1faf h THR 61 Cb 0.15 0.66 -0.15 0.00 -1.07 0.00 0.00 68.15 67.74 1faf h THR 61 CO 0.03 0.00 -0.14 0.15 -0.01 0.00 0.00 175.52 175.56 1faf h PHE 62 N 0.01 -0.31 -0.87 0.00 3.57 -1.67 0.54 116.94 118.21 1faf h PHE 62 Ca 0.17 0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.80 1faf h PHE 62 Cb 0.25 0.26 -0.06 0.00 2.79 0.00 0.00 35.95 39.19 1faf h PHE 62 CO -0.31 -0.32 0.57 -0.22 -2.23 0.00 0.00 178.31 175.80 1faf h LYS 63 N 0.02 0.95 -1.08 1.11 3.64 0.64 -0.75 116.57 121.10 1faf h LYS 63 Ca 0.39 -0.06 0.30 0.00 -1.27 0.00 0.00 60.65 60.02 1faf h LYS 63 Cb 0.64 -0.21 -0.11 0.00 -0.41 0.00 0.00 32.23 32.13 1faf h LYS 63 CO -0.77 0.63 0.67 1.15 -2.27 0.00 0.00 179.45 178.86 1faf h THR 64 N 0.98 0.42 0.05 1.00 2.02 0.11 0.99 112.91 118.48 1faf h THR 64 Ca 0.38 -0.12 -0.28 0.00 0.77 0.00 0.00 66.41 67.15 1faf h THR 64 Cb 0.21 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.62 1faf h THR 64 CO -0.14 0.07 -1.49 -0.33 0.37 0.00 0.00 175.52 174.00 1faf h GLU 65 N 0.36 0.11 -0.67 6.66 4.39 -1.17 -3.32 114.58 120.93 1faf h GLU 65 Ca 0.66 -0.19 0.10 0.00 0.34 0.00 0.00 59.36 60.27 1faf h GLU 65 Cb 1.68 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 30.36 1faf h GLU 65 CO -0.39 0.90 0.45 0.28 -1.16 0.00 0.00 179.01 179.08 1faf h VAL 66 N 0.03 0.92 -0.38 3.13 2.07 0.22 0.88 116.25 123.12 1faf h VAL 66 Ca -0.21 -0.18 -0.16 0.00 0.82 0.00 0.00 66.70 66.97 1faf h VAL 66 Cb 1.96 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1faf h VAL 66 CO 0.12 0.10 -0.38 1.88 0.02 0.00 0.00 177.57 179.31 1faf h TYR 67 N 0.54 1.10 0.00 1.57 0.05 -0.84 -3.07 116.97 116.32 1faf h TYR 67 Ca 0.31 -0.33 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1faf h TYR 67 Cb 0.50 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 38.00 1faf h TYR 67 CO -0.00 1.15 -0.51 0.27 -1.05 0.00 0.00 178.16 178.02 1faf n ASN 68 N -4.06 0.52 0.04 3.88 0.23 -0.55 -3.95 115.26 111.37 1faf n ASN 68 Ca -0.02 -0.08 0.06 0.00 -0.53 0.00 0.00 54.58 54.01 1faf n ASN 68 Cb 0.54 0.18 0.47 0.00 -2.08 0.00 0.00 39.78 38.89 1faf n ASN 68 CO 0.00 0.00 0.00 0.17 -0.93 0.00 0.00 177.26 176.50 1faf h LEU 69 N 0.00 0.37 0.00 -4.53 8.10 0.86 0.13 115.31 120.24 1faf h LEU 69 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.98 1faf h LEU 69 Cb 0.58 -0.09 0.00 0.00 -0.44 0.00 0.00 40.66 40.71 1faf h LEU 69 CO 0.00 0.26 0.00 -2.11 -4.11 0.00 0.00 178.44 172.48 1faf n ARG 70 N -4.49 0.75 -0.00 0.17 1.85 -1.25 -3.42 116.66 110.27 1faf n ARG 70 Ca 0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 56.87 1faf n ARG 70 Cb 0.10 -1.44 -0.00 0.00 -1.05 0.00 0.00 32.46 30.07 1faf n ARG 70 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 1faf n MET 71 N -0.94 0.00 -0.53 2.89 2.81 -0.01 -4.93 117.12 116.42 1faf n MET 71 Ca 0.16 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.76 1faf n MET 71 Cb 0.07 -0.90 0.23 0.00 -0.71 0.00 0.00 33.22 31.92 1faf n MET 71 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1faf n ASN 72 N -2.61 -1.24 -2.33 7.83 3.02 0.26 -4.91 115.26 115.29 1faf n ASN 72 Ca -0.00 -0.02 -0.32 0.00 -0.03 0.00 0.00 54.58 54.21 1faf n ASN 72 Cb 0.50 -1.31 0.06 0.00 -0.61 0.00 0.00 39.78 38.42 1faf n ASN 72 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1faf n LEU 73 N -4.71 7.41 -2.33 3.41 -0.00 -1.26 -4.63 117.00 114.89 1faf n LEU 73 Ca 0.05 -4.16 -0.33 0.00 -0.00 0.00 0.00 56.01 51.57 1faf n LEU 73 Cb 0.54 -1.02 0.07 0.00 -0.00 0.00 0.00 43.42 43.01 1faf n LEU 73 CO 0.55 1.47 1.44 0.61 -0.00 0.00 0.00 177.39 181.46 1faf n GLY 74 N -0.56 5.56 0.00 -3.96 0.00 -1.26 -4.92 105.19 100.05 1faf n GLY 74 Ca 0.55 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1faf n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1faf n GLY 75 N -0.66 0.88 3.65 -0.02 0.00 -1.26 -5.07 105.19 102.71 1faf n GLY 75 Ca 0.57 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1faf n GLY 75 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1faf s THR 76 N 0.00 4.79 0.00 2.61 -1.32 -1.26 -4.91 115.64 115.55 1faf s THR 76 Ca 0.00 1.70 0.00 0.00 -1.21 0.00 0.00 61.69 62.18 1faf s THR 76 Cb 0.00 -4.18 0.00 0.00 -1.51 0.00 0.00 72.50 66.81 1faf s THR 76 CO 0.00 -0.11 0.00 0.61 -2.21 0.00 0.00 174.62 172.91 1faf n GLY 77 N 3.64 0.19 3.56 6.08 0.00 -1.26 -4.76 105.19 112.63 1faf n GLY 77 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1faf n GLY 77 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1faf s PHE 78 N -0.17 2.76 -2.69 1.61 0.40 -1.26 -5.01 117.98 113.61 1faf s PHE 78 Ca 0.00 0.30 0.26 0.00 -0.60 0.00 0.00 56.93 56.90 1faf s PHE 78 Cb 0.00 -4.25 0.72 0.00 0.51 0.00 0.00 43.02 40.00 1faf s PHE 78 CO 0.00 -1.37 1.56 0.94 0.70 0.00 0.00 175.22 177.05