#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 3.50 -4.41 3.17 8.00 -1.26 -4.94 116.55 120.62 1faf n ASP 2 Ca 0.00 0.00 -0.45 0.00 0.71 0.00 0.00 54.79 55.05 1faf n ASP 2 Cb 0.00 0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 41.36 1faf n ASP 2 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1faf s ARG 3 N -1.73 3.50 -0.08 -1.24 6.06 -1.26 -4.99 118.95 119.21 1faf s ARG 3 Ca 0.00 -1.84 0.00 0.00 -2.50 0.00 0.00 55.73 51.40 1faf s ARG 3 Cb 0.00 -4.67 0.02 0.00 0.06 0.00 0.00 34.95 30.36 1faf s ARG 3 CO 0.00 -1.62 -0.07 0.14 -2.50 0.00 0.00 175.30 171.25 1faf s VAL 4 N 2.11 0.85 0.29 7.11 -7.23 -1.26 -4.86 120.40 117.42 1faf s VAL 4 Ca 0.26 -0.24 -0.17 0.00 -1.81 0.00 0.00 61.98 60.02 1faf s VAL 4 Cb -0.09 -0.86 -0.09 0.00 0.56 0.00 0.00 36.38 35.90 1faf s VAL 4 CO -0.06 0.32 0.74 -1.48 -0.31 0.00 0.00 175.10 174.31 1faf s LEU 5 N 1.31 4.16 0.00 1.32 0.05 -1.26 -5.09 118.68 119.17 1faf s LEU 5 Ca -0.03 1.35 -0.02 0.00 0.05 0.00 0.00 54.13 55.48 1faf s LEU 5 Cb -0.14 -3.93 0.12 0.00 -2.05 0.00 0.00 46.19 40.19 1faf s LEU 5 CO -0.03 -0.13 0.78 -1.54 -0.55 0.00 0.00 176.35 174.88 1faf n SER 6 N 0.00 0.85 0.01 1.48 3.41 -1.26 -4.71 113.62 113.40 1faf n SER 6 Ca 0.02 -1.76 0.10 0.00 -0.26 0.00 0.00 58.87 56.96 1faf n SER 6 Cb 0.52 -0.52 0.52 0.00 -0.26 0.00 0.00 64.21 64.48 1faf n SER 6 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1faf h ARG 7 N 0.00 0.33 -0.11 4.33 2.43 -1.98 0.19 114.38 119.57 1faf h ARG 7 Ca -0.26 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 58.76 1faf h ARG 7 Cb 0.90 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 1faf h ARG 7 CO 0.26 0.22 -0.52 0.00 -1.51 0.00 0.00 179.97 178.42 1faf h ALA 8 N 1.77 0.92 0.03 2.80 0.00 -1.98 -1.76 119.26 121.03 1faf h ALA 8 Ca 0.19 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 1faf h ALA 8 Cb 0.32 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1faf h ALA 8 CO -0.04 0.67 -0.84 -0.44 0.00 0.00 0.00 179.25 178.60 1faf h ASP 9 N 0.24 0.08 -0.36 0.00 3.32 -1.54 -3.15 116.42 115.00 1faf h ASP 9 Ca 0.01 -0.76 -0.01 0.00 0.02 0.00 0.00 57.03 56.29 1faf h ASP 9 Cb 0.99 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 1faf h ASP 9 CO 0.08 1.34 0.20 0.07 -1.72 0.00 0.00 179.24 179.22 1faf h LYS 10 N -0.85 0.52 0.00 3.56 2.10 -0.78 -0.19 116.57 120.92 1faf h LYS 10 Ca -0.21 -0.05 -0.09 0.00 -2.00 0.00 0.00 60.65 58.30 1faf h LYS 10 Cb 1.29 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.50 1faf h LYS 10 CO -0.08 0.39 -0.42 1.05 -2.00 0.00 0.00 179.45 178.39 1faf h GLU 11 N 0.53 0.00 -0.15 0.07 -0.00 -1.46 -2.34 114.58 111.23 1faf h GLU 11 Ca 0.14 0.00 -0.10 0.00 -0.00 0.00 0.00 59.36 59.40 1faf h GLU 11 Cb 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.76 1faf h GLU 11 CO -0.02 0.42 -0.34 -0.09 -0.00 0.00 0.00 179.01 178.98 1faf h ARG 12 N 0.00 0.31 -0.32 1.06 9.65 -1.00 -2.35 114.38 121.73 1faf h ARG 12 Ca -0.00 -0.13 -0.09 0.00 -1.10 0.00 0.00 59.98 58.66 1faf h ARG 12 Cb 0.77 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.33 1faf h ARG 12 CO 0.05 0.61 -0.18 1.25 2.80 0.00 0.00 179.97 184.51 1faf h LEU 13 N 0.27 0.57 -0.59 3.80 5.85 -0.91 -2.74 115.31 121.55 1faf h LEU 13 Ca 0.03 -0.18 -0.14 0.00 0.84 0.00 0.00 57.88 58.44 1faf h LEU 13 Cb 0.73 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1faf h LEU 13 CO 0.06 0.76 -0.40 -0.07 -0.34 0.00 0.00 178.44 178.45 1faf h LEU 14 N 0.52 0.71 -0.66 2.25 3.38 -1.26 -1.40 115.31 118.86 1faf h LEU 14 Ca 0.08 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 57.79 1faf h LEU 14 Cb 0.61 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 1faf h LEU 14 CO 0.04 1.03 0.37 -0.08 0.09 0.00 0.00 178.44 179.89 1faf h GLU 15 N 0.55 0.66 0.00 1.13 4.81 -1.13 0.82 114.58 121.42 1faf h GLU 15 Ca 0.05 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1faf h GLU 15 Cb 0.93 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.16 1faf h GLU 15 CO 0.08 0.44 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.69 1faf h LEU 16 N 0.68 0.00 -0.13 1.64 4.07 -1.44 -3.17 115.31 116.96 1faf h LEU 16 Ca 0.29 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.24 1faf h LEU 16 Cb 0.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.91 1faf h LEU 16 CO -0.18 0.00 -0.43 0.18 -1.08 0.00 0.00 178.44 176.94 1faf n LEU 17 N -2.49 0.63 -1.43 1.67 7.99 -0.18 -4.79 117.00 118.40 1faf n LEU 17 Ca 0.05 -0.07 -0.15 0.00 -0.01 0.00 0.00 56.01 55.83 1faf n LEU 17 Cb 0.46 -0.22 -0.06 0.00 -0.11 0.00 0.00 43.42 43.49 1faf n LEU 17 CO 0.32 0.14 -0.14 0.29 -1.51 0.00 0.00 177.39 176.49 1faf n LYS 18 N -1.27 -1.34 -3.82 3.23 5.02 0.11 -4.72 118.16 115.36 1faf n LYS 18 Ca 0.07 0.89 -0.36 0.00 -2.02 0.00 0.00 58.31 56.89 1faf n LYS 18 Cb 0.34 -5.17 -0.13 0.00 -0.02 0.00 0.00 35.03 30.05 1faf n LYS 18 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1faf s LEU 19 N -3.97 4.24 1.10 -0.35 0.20 -1.15 -5.08 118.68 113.68 1faf s LEU 19 Ca 0.00 -1.28 -0.21 0.00 0.69 0.00 0.00 54.13 53.33 1faf s LEU 19 Cb 0.00 -1.80 0.04 0.00 -0.43 0.00 0.00 46.19 44.00 1faf s LEU 19 CO 0.00 -0.32 -0.36 -2.65 -0.29 0.00 0.00 176.35 172.72 1faf n PRO 20 N 4.72 -1.26 0.00 0.98 -0.02 -1.26 -4.72 135.00 133.43 1faf n PRO 20 Ca -0.12 -0.36 0.13 0.00 -2.02 0.00 0.00 63.50 61.13 1faf n PRO 20 Cb 0.44 -1.54 0.34 0.00 -0.02 0.00 0.00 33.50 32.72 1faf n PRO 20 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1faf n ARG 21 N -1.03 0.57 0.04 -0.52 1.85 -1.26 -3.76 116.66 112.55 1faf n ARG 21 Ca -0.00 -0.33 -0.10 0.00 -1.00 0.00 0.00 57.85 56.41 1faf n ARG 21 Cb 0.66 -1.49 0.03 0.00 -1.05 0.00 0.00 32.46 30.60 1faf n ARG 21 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 1faf h GLN 22 N 0.81 0.46 -0.68 2.89 -0.00 -2.05 -3.07 115.11 113.48 1faf h GLN 22 Ca 0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 58.65 58.29 1faf h GLN 22 Cb 0.50 0.07 0.00 0.00 0.00 0.00 0.00 27.48 28.05 1faf h GLN 22 CO 0.00 0.99 0.00 1.47 0.00 0.00 0.00 178.83 181.29 1faf n LEU 23 N -3.87 3.91 -4.57 -2.39 -0.00 -1.25 -4.98 117.00 103.85 1faf n LEU 23 Ca -0.04 -2.05 -0.50 0.00 -0.00 0.00 0.00 56.01 53.42 1faf n LEU 23 Cb 0.69 -0.47 -0.06 0.00 -0.00 0.00 0.00 43.42 43.58 1faf n LEU 23 CO 0.48 0.94 1.66 1.87 -0.00 0.00 0.00 177.39 182.34 1faf n TRP 24 N 1.44 1.93 0.00 1.47 -0.00 -1.16 -2.85 117.44 118.26 1faf n TRP 24 Ca 0.23 0.16 0.00 0.00 -0.00 0.00 0.00 57.50 57.89 1faf n TRP 24 Cb 0.63 -2.59 0.00 0.00 -0.00 0.00 0.00 31.31 29.34 1faf n TRP 24 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1faf n GLY 25 N 5.53 1.21 3.56 5.87 0.00 -1.26 -5.08 105.19 115.02 1faf n GLY 25 Ca 0.32 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.98 1faf n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1faf s ASP 26 N 0.00 5.96 0.49 1.61 2.15 -1.13 -4.83 116.67 120.91 1faf s ASP 26 Ca 0.00 -0.94 0.29 0.00 0.43 0.00 0.00 52.55 52.33 1faf s ASP 26 Cb 0.00 -2.56 1.36 0.00 -0.30 0.00 0.00 42.92 41.42 1faf s ASP 26 CO 0.00 -1.98 1.81 0.15 -0.17 0.00 0.00 175.17 174.98 1faf h PHE 27 N 10.69 0.25 -0.20 -5.34 3.57 -1.98 0.19 116.94 124.12 1faf h PHE 27 Ca 0.06 0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.39 1faf h PHE 27 Cb 1.03 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 1faf h PHE 27 CO 1.22 0.03 -0.62 0.78 -2.23 0.00 0.00 178.31 177.49 1faf h GLY 28 N 0.15 0.77 0.99 2.40 0.00 -1.99 -2.40 103.07 103.00 1faf h GLY 28 Ca 0.54 -0.96 -0.31 0.00 0.00 0.00 0.00 47.33 46.60 1faf h GLY 28 CO -0.11 0.86 -1.45 3.21 0.00 0.00 0.00 176.54 179.04 1faf h ARG 29 N 0.52 0.43 -0.26 4.80 2.47 -1.26 -2.88 114.38 118.21 1faf h ARG 29 Ca -0.01 -0.74 -0.02 0.00 -1.26 0.00 0.00 59.98 57.96 1faf h ARG 29 Cb 1.20 0.28 -0.01 0.00 -1.65 0.00 0.00 29.97 29.79 1faf h ARG 29 CO 0.12 1.35 0.10 0.00 0.56 0.00 0.00 179.97 182.10 1faf h MET 30 N 0.00 0.39 -0.40 0.04 -0.00 -0.85 -2.32 114.93 111.79 1faf h MET 30 Ca -0.27 -0.07 -0.08 0.00 -0.00 0.00 0.00 59.70 59.27 1faf h MET 30 Cb 2.03 -0.06 -0.02 0.00 -0.00 0.00 0.00 31.60 33.55 1faf h MET 30 CO 0.21 0.43 -0.09 0.37 -0.00 0.00 0.00 176.91 177.83 1faf h GLN 31 N 0.26 0.70 -0.54 -0.10 4.15 -1.57 -1.64 115.11 116.36 1faf h GLN 31 Ca 0.08 -0.21 0.02 0.00 0.77 0.00 0.00 58.65 59.32 1faf h GLN 31 Cb 0.20 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 1faf h GLN 31 CO -0.01 0.77 0.36 1.96 -1.93 0.00 0.00 178.83 179.98 1faf h GLN 32 N 0.64 0.63 0.03 1.69 4.20 -1.26 -1.71 115.11 119.33 1faf h GLN 32 Ca 0.12 -0.04 -0.27 0.00 0.06 0.00 0.00 58.65 58.52 1faf h GLN 32 Cb 0.53 -0.14 0.02 0.00 0.30 0.00 0.00 27.48 28.18 1faf h GLN 32 CO 0.03 0.42 -1.08 0.00 -0.67 0.00 0.00 178.83 177.53 1faf h ALA 33 N 1.68 0.15 -0.61 3.87 0.00 -0.92 -2.52 119.26 120.91 1faf h ALA 33 Ca 0.21 -0.73 0.06 0.00 0.00 0.00 0.00 54.91 54.45 1faf h ALA 33 Cb 0.04 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1faf h ALA 33 CO -0.05 0.73 0.33 -0.92 0.00 0.00 0.00 179.25 179.34 1faf h TYR 34 N 0.31 0.60 0.00 0.00 5.03 -0.47 0.27 116.97 122.71 1faf h TYR 34 Ca -0.13 0.02 -0.14 0.00 2.58 0.00 0.00 58.73 61.06 1faf h TYR 34 Cb 1.73 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 39.82 1faf h TYR 34 CO 0.09 0.28 -0.66 0.87 -1.32 0.00 0.00 178.16 177.42 1faf h LYS 35 N 0.61 0.00 -0.13 1.82 1.57 -1.41 0.07 116.57 119.10 1faf h LYS 35 Ca 0.28 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.89 1faf h LYS 35 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1faf h LYS 35 CO -0.18 0.66 -0.61 1.96 -0.57 0.00 0.00 179.45 180.71 1faf h GLN 36 N 0.00 0.44 0.00 3.15 1.08 -0.82 -2.69 115.11 116.28 1faf h GLN 36 Ca -0.01 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 56.89 1faf h GLN 36 Cb 1.19 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 1faf h GLN 36 CO 0.09 0.92 -0.91 1.96 -0.95 0.00 0.00 178.83 179.94 1faf h GLN 37 N 0.33 0.00 0.00 1.46 1.08 -0.45 -3.33 115.11 114.19 1faf h GLN 37 Ca -0.01 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.01 1faf h GLN 37 Cb 1.15 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.56 1faf h GLN 37 CO 0.11 0.00 -0.83 0.77 -0.95 0.00 0.00 178.83 177.93 1faf h SER 38 N 0.00 0.09 0.37 1.46 0.02 -0.92 -2.54 113.55 112.02 1faf h SER 38 Ca 0.00 -0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.78 1faf h SER 38 Cb 0.98 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 1faf h SER 38 CO 0.00 0.88 -0.44 -0.07 -1.14 0.00 0.00 176.83 176.06 1faf h LEU 39 N 0.04 0.09 0.00 5.07 3.38 -1.59 -1.81 115.31 120.50 1faf h LEU 39 Ca -0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1faf h LEU 39 Cb 1.45 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1faf h LEU 39 CO 0.11 0.52 -0.87 0.17 0.09 0.00 0.00 178.44 178.47 1faf h LEU 40 N 0.08 0.00 -1.08 1.67 8.10 -1.69 -3.31 115.31 119.08 1faf h LEU 40 Ca 0.00 -0.12 0.00 0.00 0.11 0.00 0.00 57.88 57.87 1faf h LEU 40 Cb 0.81 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.03 1faf h LEU 40 CO 0.06 0.06 -0.20 0.18 -4.11 0.00 0.00 178.44 174.43 1faf n LEU 41 N -2.40 1.88 -4.76 0.17 4.77 -0.96 -4.11 117.00 111.58 1faf n LEU 41 Ca 0.01 -0.63 -0.39 0.00 -0.03 0.00 0.00 56.01 54.98 1faf n LEU 41 Cb 0.50 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 1faf n LEU 41 CO 0.39 0.33 0.76 -2.28 -1.33 0.00 0.00 177.39 175.25 1faf s HIS 42 N -2.26 3.53 0.58 -1.77 2.46 -0.70 -3.87 115.29 113.26 1faf s HIS 42 Ca 0.27 1.71 0.32 0.00 0.47 0.00 0.00 55.06 57.82 1faf s HIS 42 Cb 0.19 -3.20 1.36 0.00 -0.13 0.00 0.00 32.58 30.81 1faf s HIS 42 CO 0.44 -0.46 1.69 -1.35 -2.47 0.00 0.00 174.74 172.60 1faf h PRO 43 N 3.44 0.00 0.00 2.88 0.11 -1.92 0.99 132.00 137.50 1faf h PRO 43 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1faf h PRO 43 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1faf h PRO 43 CO 0.66 0.00 -0.12 -0.44 -0.21 0.00 0.00 178.00 177.88 1faf h ASP 44 N 0.00 0.00 -0.37 -2.05 3.32 -1.91 -3.24 116.42 112.16 1faf h ASP 44 Ca 0.42 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.27 1faf h ASP 44 Cb 2.08 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 41.51 1faf h ASP 44 CO -0.00 0.12 -0.12 0.29 -1.72 0.00 0.00 179.24 177.81 1faf n LYS 45 N -3.14 1.91 -3.00 3.56 4.01 0.34 -4.99 118.16 116.86 1faf n LYS 45 Ca 0.03 -3.25 -0.05 0.00 -0.51 0.00 0.00 58.31 54.52 1faf n LYS 45 Cb 0.56 -1.84 0.01 0.00 -0.51 0.00 0.00 35.03 33.24 1faf n LYS 45 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1faf n GLY 46 N -1.11 -1.24 3.12 0.72 0.00 -1.03 -4.63 105.19 101.02 1faf n GLY 46 Ca 0.34 0.86 -0.09 0.00 0.00 0.00 0.00 46.02 47.13 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 -2.78 0.59 0.22 -0.02 0.00 -1.15 -4.74 107.32 99.45 1faf s GLY 47 Ca 0.13 -1.20 -0.11 0.00 0.00 0.00 0.00 44.72 43.53 1faf s GLY 47 CO 0.77 -1.30 0.57 -0.56 0.00 0.00 0.00 173.10 172.58 1faf s SER 48 N -2.78 6.69 -0.01 1.64 0.01 -1.25 -4.43 113.70 113.57 1faf s SER 48 Ca 0.06 1.00 -0.25 0.00 1.31 0.00 0.00 55.95 58.08 1faf s SER 48 Cb 0.04 -2.26 -0.19 0.00 0.21 0.00 0.00 66.02 63.83 1faf s SER 48 CO -0.06 -0.05 1.30 0.45 0.41 0.00 0.00 173.24 175.29 1faf h HIS 49 N 2.73 0.08 -0.14 2.43 3.86 -2.00 -2.77 115.15 119.34 1faf h HIS 49 Ca -0.47 -0.02 0.04 0.00 -1.16 0.00 0.00 60.37 58.75 1faf h HIS 49 Cb 1.17 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.62 1faf h HIS 49 CO 0.62 0.52 0.17 0.00 0.86 0.00 0.00 177.93 180.11 1faf h ALA 50 N 0.55 1.69 0.00 2.45 0.00 -1.98 -0.20 119.26 121.77 1faf h ALA 50 Ca 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1faf h ALA 50 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1faf h ALA 50 CO 0.01 -0.24 -0.00 -0.07 0.00 0.00 0.00 179.25 178.94 1faf h LEU 51 N 0.00 -0.00 -1.47 0.00 4.07 -1.92 -2.69 115.31 113.30 1faf h LEU 51 Ca 0.07 -0.80 -0.05 0.00 0.08 0.00 0.00 57.88 57.17 1faf h LEU 51 Cb 0.41 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1faf h LEU 51 CO -0.00 0.80 -0.26 -0.03 -1.08 0.00 0.00 178.44 177.87 1faf h MET 52 N -0.81 0.00 -0.10 1.13 4.05 -1.12 -2.65 114.93 115.43 1faf h MET 52 Ca -0.00 0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.23 1faf h MET 52 Cb 0.80 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.60 1faf h MET 52 CO 0.00 0.26 -0.72 1.96 0.23 0.00 0.00 176.91 178.63 1faf h GLN 53 N 0.00 0.50 0.46 0.39 1.08 -1.12 -2.85 115.11 113.57 1faf h GLN 53 Ca -0.00 -0.40 -0.02 0.00 -1.45 0.00 0.00 58.65 56.77 1faf h GLN 53 Cb 0.55 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 1faf h GLN 53 CO 0.03 1.03 -0.22 1.49 -0.95 0.00 0.00 178.83 180.21 1faf h GLU 54 N 0.35 -0.60 -0.94 1.46 4.22 -1.12 -2.26 114.58 115.68 1faf h GLU 54 Ca -0.03 0.04 0.10 0.00 0.08 0.00 0.00 59.36 59.55 1faf h GLU 54 Cb 1.31 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 30.62 1faf h GLU 54 CO 0.13 -0.32 0.58 1.25 -2.18 0.00 0.00 179.01 178.47 1faf h LEU 55 N -0.80 0.88 -1.62 1.64 5.85 -1.60 0.33 115.31 119.99 1faf h LEU 55 Ca -0.06 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1faf h LEU 55 Cb 0.56 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1faf h LEU 55 CO 0.10 0.50 -0.12 0.78 -0.34 0.00 0.00 178.44 179.37 1faf h ASN 56 N 0.98 0.08 0.20 1.25 2.35 -1.42 0.45 115.58 119.47 1faf h ASN 56 Ca 0.45 -0.01 -0.27 0.00 -0.55 0.00 0.00 56.30 55.91 1faf h ASN 56 Cb 0.36 -0.02 0.03 0.00 0.05 0.00 0.00 38.32 38.74 1faf h ASN 56 CO -0.23 0.22 -1.18 -1.28 -1.65 0.00 0.00 177.43 173.31 1faf h SER 57 N 0.09 0.69 0.66 5.81 0.87 -0.41 0.13 113.55 121.39 1faf h SER 57 Ca 0.02 -0.92 -0.17 0.00 -1.23 0.00 0.00 61.79 59.48 1faf h SER 57 Cb 0.27 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 1faf h SER 57 CO 0.02 1.57 -0.79 -0.07 -0.53 0.00 0.00 176.83 177.02 1faf h LEU 58 N -0.06 0.12 0.00 2.23 3.38 -0.79 -2.71 115.31 117.49 1faf h LEU 58 Ca -0.20 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 1faf h LEU 58 Cb 1.92 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.63 1faf h LEU 58 CO 0.22 0.87 -1.01 -0.25 0.09 0.00 0.00 178.44 178.35 1faf h TRP 59 N 0.06 0.00 0.36 1.13 2.91 -0.22 -3.14 115.95 117.06 1faf h TRP 59 Ca -0.02 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.98 1faf h TRP 59 Cb 1.39 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.05 1faf h TRP 59 CO 0.01 0.16 -0.18 0.78 -1.03 0.00 0.00 178.44 178.19 1faf h GLY 60 N 3.91 -0.51 0.68 2.65 0.00 -0.69 -0.21 103.07 108.89 1faf h GLY 60 Ca -0.04 0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.51 1faf h GLY 60 CO 0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 176.54 176.33 1faf h THR 61 N -1.06 0.84 -0.81 4.70 1.03 -1.67 -0.53 112.91 115.41 1faf h THR 61 Ca -0.05 -0.00 0.16 0.00 -0.01 0.00 0.00 66.41 66.51 1faf h THR 61 Cb 0.38 0.84 -0.15 0.00 -1.07 0.00 0.00 68.15 68.14 1faf h THR 61 CO 0.08 0.00 -0.21 0.15 -0.01 0.00 0.00 175.52 175.54 1faf h PHE 62 N 0.00 -0.44 -0.94 0.00 3.57 -1.64 0.69 116.94 118.19 1faf h PHE 62 Ca 0.08 0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.70 1faf h PHE 62 Cb 0.12 0.32 -0.06 0.00 2.79 0.00 0.00 35.95 39.12 1faf h PHE 62 CO -0.19 -0.35 0.61 -0.22 -2.23 0.00 0.00 178.31 175.93 1faf h LYS 63 N -0.00 1.10 -1.07 1.11 3.64 0.48 -0.51 116.57 121.33 1faf h LYS 63 Ca 0.39 -0.07 0.29 0.00 -1.27 0.00 0.00 60.65 59.99 1faf h LYS 63 Cb 0.59 -0.25 -0.11 0.00 -0.41 0.00 0.00 32.23 32.05 1faf h LYS 63 CO -0.83 0.73 0.67 1.15 -2.27 0.00 0.00 179.45 178.89 1faf h THR 64 N 1.13 0.44 0.04 1.00 2.02 0.16 0.94 112.91 118.65 1faf h THR 64 Ca 0.39 -0.13 -0.27 0.00 0.77 0.00 0.00 66.41 67.16 1faf h THR 64 Cb 0.09 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.49 1faf h THR 64 CO -0.13 0.07 -1.45 -0.33 0.37 0.00 0.00 175.52 174.05 1faf h GLU 65 N 0.38 0.09 -0.99 6.66 4.39 -1.13 -3.34 114.58 120.64 1faf h GLU 65 Ca 0.65 -0.15 0.13 0.00 0.34 0.00 0.00 59.36 60.34 1faf h GLU 65 Cb 1.62 0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 30.24 1faf h GLU 65 CO -0.39 0.86 0.61 0.28 -1.16 0.00 0.00 179.01 179.21 1faf h VAL 66 N 0.02 0.88 0.00 3.13 2.07 0.23 0.53 116.25 123.11 1faf h VAL 66 Ca -0.19 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 1faf h VAL 66 Cb 1.94 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1faf h VAL 66 CO 0.12 0.17 -0.14 0.22 0.02 0.00 0.00 177.57 177.96 1faf h TYR 67 N 0.94 0.00 0.00 1.57 3.20 -1.13 -2.22 116.97 119.34 1faf h TYR 67 Ca 0.50 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.30 1faf h TYR 67 Cb 0.55 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1faf h TYR 67 CO -0.01 0.14 -1.24 0.09 -1.64 0.00 0.00 178.16 175.50 1faf n ASN 68 N -4.29 0.81 -0.17 -2.11 3.02 0.78 -4.11 115.26 109.19 1faf n ASN 68 Ca -0.03 0.33 -0.04 0.00 -0.03 0.00 0.00 54.58 54.82 1faf n ASN 68 Cb 0.21 0.39 0.16 0.00 -0.61 0.00 0.00 39.78 39.94 1faf n ASN 68 CO 0.00 0.00 0.00 0.17 -2.62 0.00 0.00 177.26 174.81 1faf h LEU 69 N 0.00 0.85 0.00 3.41 8.10 0.51 0.32 115.31 128.50 1faf h LEU 69 Ca -0.08 -0.15 0.00 0.00 0.11 0.00 0.00 57.88 57.76 1faf h LEU 69 Cb 1.27 -0.22 0.00 0.00 -0.44 0.00 0.00 40.66 41.27 1faf h LEU 69 CO 0.02 0.81 0.00 0.54 -4.11 0.00 0.00 178.44 175.70 1faf n ARG 70 N -4.28 0.94 -0.05 0.17 5.12 -1.17 -3.71 116.66 113.68 1faf n ARG 70 Ca 0.05 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.86 1faf n ARG 70 Cb 0.21 -1.44 -0.04 0.00 -1.16 0.00 0.00 32.46 30.03 1faf n ARG 70 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1faf n MET 71 N -0.94 0.22 -1.59 5.56 2.81 -0.54 -4.96 117.12 117.68 1faf n MET 71 Ca 0.20 0.09 -0.42 0.00 -1.81 0.00 0.00 57.70 55.76 1faf n MET 71 Cb 0.09 -0.91 -0.03 0.00 -0.71 0.00 0.00 33.22 31.66 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 -3.38 3.10 0.06 7.83 3.02 0.10 -4.72 115.26 121.26 1faf n ASN 72 Ca -0.20 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 1faf n ASN 72 Cb 0.65 -1.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.26 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 12.31 0.78 0.00 3.41 7.94 -1.26 -4.92 117.00 135.25 1faf n LEU 73 Ca 0.31 0.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.39 1faf n LEU 73 Cb 0.46 -0.18 0.00 0.00 0.53 0.00 0.00 43.42 44.23 1faf n LEU 73 CO 0.67 -0.68 0.00 0.61 -1.11 0.00 0.00 177.39 176.88 1faf n GLY 74 N 3.10 3.08 5.87 -3.96 0.00 -1.26 -4.83 105.19 107.18 1faf n GLY 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.07 2.05 3.69 -0.02 0.00 -1.26 -4.84 105.19 103.74 1faf n GLY 75 Ca 0.00 0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1faf n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1faf s THR 76 N 0.00 3.53 0.11 2.61 2.01 -1.26 -4.73 115.64 117.91 1faf s THR 76 Ca 0.00 0.97 0.00 0.00 0.31 0.00 0.00 61.69 62.97 1faf s THR 76 Cb 0.00 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.89 1faf s THR 76 CO 0.00 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 1faf n GLY 77 N 3.67 -1.83 3.49 4.40 0.00 -1.26 -5.07 105.19 108.59 1faf n GLY 77 Ca 0.13 0.43 -0.42 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.22 2.54 0.00 1.61 0.08 -1.26 -5.28 117.98 114.45 1faf s PHE 78 Ca 0.00 -0.34 0.00 0.00 0.12 0.00 0.00 56.93 56.71 1faf s PHE 78 Cb 0.00 -4.40 0.00 0.00 -0.57 0.00 0.00 43.02 38.05 1faf s PHE 78 CO 0.00 -1.79 0.00 0.94 -0.10 0.00 0.00 175.22 174.27