#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 0.65 -4.46 6.12 5.68 -1.26 -4.71 116.55 118.58 1faf n ASP 2 Ca 0.00 -0.37 -0.44 0.00 -0.50 0.00 0.00 54.79 53.49 1faf n ASP 2 Cb 0.00 0.70 -0.02 0.00 -1.14 0.00 0.00 41.12 40.66 1faf n ASP 2 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1faf s ARG 3 N -3.11 3.61 -0.04 0.11 0.52 -1.26 -4.96 118.95 113.83 1faf s ARG 3 Ca 0.06 -1.74 -0.01 0.00 -0.52 0.00 0.00 55.73 53.52 1faf s ARG 3 Cb 0.15 -4.95 0.03 0.00 0.52 0.00 0.00 34.95 30.70 1faf s ARG 3 CO 0.79 -1.80 0.04 0.14 0.02 0.00 0.00 175.30 174.49 1faf s VAL 4 N 2.82 -0.03 0.50 3.52 -7.23 -1.26 -4.83 120.40 113.89 1faf s VAL 4 Ca 0.34 0.31 -0.21 0.00 -1.81 0.00 0.00 61.98 60.61 1faf s VAL 4 Cb -0.04 -0.17 -0.07 0.00 0.56 0.00 0.00 36.38 36.66 1faf s VAL 4 CO -0.09 0.16 1.11 -1.48 -0.31 0.00 0.00 175.10 174.48 1faf s LEU 5 N 1.72 3.85 0.78 1.32 0.05 -1.26 -5.05 118.68 120.09 1faf s LEU 5 Ca -0.01 2.13 -0.05 0.00 0.05 0.00 0.00 54.13 56.26 1faf s LEU 5 Cb -0.12 -4.49 0.14 0.00 -2.05 0.00 0.00 46.19 39.67 1faf s LEU 5 CO -0.03 -1.00 1.07 -0.94 -0.55 0.00 0.00 176.35 174.90 1faf s SER 6 N -1.74 4.07 0.42 1.48 1.04 -1.26 -4.68 113.70 113.04 1faf s SER 6 Ca 0.69 -0.19 0.19 0.00 0.48 0.00 0.00 55.95 57.12 1faf s SER 6 Cb -0.23 -0.12 1.11 0.00 0.10 0.00 0.00 66.02 66.88 1faf s SER 6 CO 0.26 -2.06 1.82 -0.09 0.98 0.00 0.00 173.24 174.16 1faf h ARG 7 N -0.79 0.37 -0.22 4.02 2.43 -1.97 0.36 114.38 118.59 1faf h ARG 7 Ca -0.39 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 58.67 1faf h ARG 7 Cb 1.26 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1faf h ARG 7 CO 0.40 0.25 -0.23 0.00 -1.51 0.00 0.00 179.97 178.88 1faf h ALA 8 N 1.60 0.32 -0.08 2.80 0.00 -1.98 0.21 119.26 122.13 1faf h ALA 8 Ca 0.52 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1faf h ALA 8 Cb 1.33 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.06 1faf h ALA 8 CO -0.21 0.28 -0.55 -0.44 0.00 0.00 0.00 179.25 178.34 1faf h ASP 9 N 0.23 0.63 0.03 0.00 3.32 -1.44 -2.54 116.42 116.66 1faf h ASP 9 Ca 0.03 -0.66 -0.10 0.00 0.02 0.00 0.00 57.03 56.32 1faf h ASP 9 Cb 0.79 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1faf h ASP 9 CO 0.06 1.20 -0.30 0.07 -1.72 0.00 0.00 179.24 178.54 1faf h LYS 10 N 0.11 0.40 -0.32 3.56 2.10 -0.43 -2.39 116.57 119.60 1faf h LYS 10 Ca -0.05 -0.16 -0.07 0.00 -2.00 0.00 0.00 60.65 58.37 1faf h LYS 10 Cb 1.21 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.50 1faf h LYS 10 CO 0.11 0.67 -0.11 1.49 -2.00 0.00 0.00 179.45 179.61 1faf h GLU 11 N 0.35 0.54 -0.27 0.07 4.57 -0.96 -1.99 114.58 116.89 1faf h GLU 11 Ca 0.05 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 57.99 1faf h GLU 11 Cb 0.71 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 1faf h GLU 11 CO 0.05 0.65 -0.19 -0.09 -1.18 0.00 0.00 179.01 178.25 1faf h ARG 12 N 0.50 0.48 -0.15 1.92 9.65 -1.00 -2.07 114.38 123.71 1faf h ARG 12 Ca 0.09 -0.16 -0.03 0.00 -1.10 0.00 0.00 59.98 58.79 1faf h ARG 12 Cb 0.50 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 1faf h ARG 12 CO 0.03 0.65 -0.03 1.25 2.80 0.00 0.00 179.97 184.67 1faf h LEU 13 N 0.43 0.20 -0.09 3.80 5.85 -0.92 -2.35 115.31 122.23 1faf h LEU 13 Ca 0.07 -0.02 -0.25 0.00 0.84 0.00 0.00 57.88 58.52 1faf h LEU 13 Cb 0.58 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.58 1faf h LEU 13 CO 0.04 0.27 -0.94 -0.07 -0.34 0.00 0.00 178.44 177.40 1faf h LEU 14 N 0.21 0.87 -0.93 2.25 3.38 -1.15 -2.94 115.31 117.01 1faf h LEU 14 Ca 0.05 -0.65 0.12 0.00 0.09 0.00 0.00 57.88 57.49 1faf h LEU 14 Cb 0.20 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.60 1faf h LEU 14 CO 0.01 1.45 0.55 -0.08 0.09 0.00 0.00 178.44 180.46 1faf h GLU 15 N 0.42 0.83 0.00 1.13 4.57 -0.94 0.25 114.58 120.84 1faf h GLU 15 Ca -0.10 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1faf h GLU 15 Cb 1.58 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.98 1faf h GLU 15 CO 0.18 0.55 0.00 -0.07 -1.18 0.00 0.00 179.01 178.49 1faf h LEU 16 N 0.86 0.00 -0.06 1.64 4.07 -1.56 -3.12 115.31 117.13 1faf h LEU 16 Ca 0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.43 1faf h LEU 16 Cb 0.51 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.25 1faf h LEU 16 CO -0.29 0.00 -0.48 0.18 -1.08 0.00 0.00 178.44 176.78 1faf n LEU 17 N -2.50 0.57 -1.49 1.67 7.99 0.72 -4.80 117.00 119.17 1faf n LEU 17 Ca 0.05 -0.04 -0.14 0.00 -0.01 0.00 0.00 56.01 55.87 1faf n LEU 17 Cb 0.44 -0.23 -0.06 0.00 -0.11 0.00 0.00 43.42 43.47 1faf n LEU 17 CO 0.31 0.14 -0.14 0.29 -1.51 0.00 0.00 177.39 176.48 1faf n LYS 18 N -1.39 -1.37 -3.81 3.23 4.01 -0.30 -4.85 118.16 113.68 1faf n LYS 18 Ca 0.06 0.81 -0.37 0.00 -0.51 0.00 0.00 58.31 58.30 1faf n LYS 18 Cb 0.34 -5.09 -0.13 0.00 -0.51 0.00 0.00 35.03 29.63 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 -3.99 4.06 1.02 -0.35 0.20 -1.21 -5.09 118.68 113.33 1faf s LEU 19 Ca 0.00 -1.09 -0.22 0.00 0.69 0.00 0.00 54.13 53.51 1faf s LEU 19 Cb 0.00 -1.82 -0.10 0.00 -0.43 0.00 0.00 46.19 43.85 1faf s LEU 19 CO 0.00 -0.28 -0.86 -2.65 -0.29 0.00 0.00 176.35 172.27 1faf n PRO 20 N 4.76 -0.40 0.00 0.98 -0.02 -1.26 -4.78 135.00 134.28 1faf n PRO 20 Ca -0.13 -0.11 0.12 0.00 -2.02 0.00 0.00 63.50 61.36 1faf n PRO 20 Cb 0.45 -1.24 0.26 0.00 -0.02 0.00 0.00 33.50 32.95 1faf n PRO 20 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1faf n ARG 21 N 1.04 0.13 0.03 -0.52 1.74 -1.26 -3.90 116.66 113.93 1faf n ARG 21 Ca -0.01 -0.08 -0.09 0.00 -0.77 0.00 0.00 57.85 56.91 1faf n ARG 21 Cb 0.67 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.67 1faf n ARG 21 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1faf h GLN 22 N 0.19 0.46 -0.61 5.56 5.75 -2.06 -2.99 115.11 121.42 1faf h GLN 22 Ca 0.00 -0.31 0.00 0.00 -0.15 0.00 0.00 58.65 58.19 1faf h GLN 22 Cb 0.50 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.10 1faf h GLN 22 CO 0.00 0.93 0.00 1.47 -2.65 0.00 0.00 178.83 178.58 1faf n LEU 23 N -3.91 3.58 -4.53 -2.39 -0.00 -1.26 -4.93 117.00 103.56 1faf n LEU 23 Ca -0.03 -1.73 -0.38 0.00 -0.00 0.00 0.00 56.01 53.86 1faf n LEU 23 Cb 0.63 -0.40 -0.07 0.00 -0.00 0.00 0.00 43.42 43.58 1faf n LEU 23 CO 0.47 0.86 2.09 1.87 -0.00 0.00 0.00 177.39 182.68 1faf n TRP 24 N 1.48 1.13 0.00 1.47 -0.00 -1.13 -2.68 117.44 117.71 1faf n TRP 24 Ca 0.22 0.22 0.00 0.00 -0.00 0.00 0.00 57.50 57.94 1faf n TRP 24 Cb 0.58 -2.54 0.00 0.00 -0.00 0.00 0.00 31.31 29.35 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 6.20 0.32 3.56 5.87 0.00 -1.26 -5.08 105.19 114.80 1faf n GLY 25 Ca 0.47 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.09 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 6.49 0.22 1.61 -1.08 -1.09 -4.85 116.67 117.96 1faf s ASP 26 Ca 0.00 -1.52 -0.12 0.00 -0.52 0.00 0.00 52.55 50.39 1faf s ASP 26 Cb 0.00 -2.57 0.28 0.00 -1.46 0.00 0.00 42.92 39.17 1faf s ASP 26 CO 0.00 -1.52 1.64 0.15 0.52 0.00 0.00 175.17 175.96 1faf h PHE 27 N 9.64 -0.21 -0.53 -5.34 3.57 -1.98 0.35 116.94 122.44 1faf h PHE 27 Ca 0.22 0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.84 1faf h PHE 27 Cb 1.00 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.90 1faf h PHE 27 CO 1.29 -0.24 0.36 0.78 -2.23 0.00 0.00 178.31 178.27 1faf h GLY 28 N 0.05 0.56 0.39 2.40 0.00 -1.98 0.50 103.07 104.98 1faf h GLY 28 Ca 0.33 -0.17 -0.13 0.00 0.00 0.00 0.00 47.33 47.35 1faf h GLY 28 CO -0.62 0.13 -0.61 -0.09 0.00 0.00 0.00 176.54 175.35 1faf h ARG 29 N 0.43 0.17 -0.23 4.80 2.43 -0.95 -2.98 114.38 118.06 1faf h ARG 29 Ca 0.24 -0.29 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 1faf h ARG 29 Cb 0.37 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1faf h ARG 29 CO -0.06 1.14 -0.19 0.00 -1.51 0.00 0.00 179.97 179.35 1faf h MET 30 N -0.63 0.52 -0.67 0.20 -0.00 -0.24 -2.86 114.93 111.27 1faf h MET 30 Ca -0.12 -0.26 -0.01 0.00 -0.00 0.00 0.00 59.70 59.31 1faf h MET 30 Cb 1.41 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.98 1faf h MET 30 CO 0.07 0.84 0.37 0.37 -0.00 0.00 0.00 176.91 178.56 1faf h GLN 31 N 0.22 0.93 -0.72 -0.10 4.15 -0.17 -0.99 115.11 118.43 1faf h GLN 31 Ca 0.04 -0.10 0.09 0.00 0.77 0.00 0.00 58.65 59.45 1faf h GLN 31 Cb 0.72 -0.18 -0.07 0.00 0.21 0.00 0.00 27.48 28.16 1faf h GLN 31 CO 0.05 0.69 0.37 0.37 -1.93 0.00 0.00 178.83 178.37 1faf h GLN 32 N 0.91 0.61 -0.20 1.69 4.15 -1.50 -0.42 115.11 120.35 1faf h GLN 32 Ca 0.24 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.52 1faf h GLN 32 Cb 0.03 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 1faf h GLN 32 CO -0.04 0.40 -0.31 0.00 -1.93 0.00 0.00 178.83 176.95 1faf h ALA 33 N 1.42 1.09 -0.94 3.38 0.00 -1.20 -2.57 119.26 120.44 1faf h ALA 33 Ca 0.35 -0.37 0.13 0.00 0.00 0.00 0.00 54.91 55.02 1faf h ALA 33 Cb 0.35 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 1faf h ALA 33 CO -0.26 0.57 0.60 -0.92 0.00 0.00 0.00 179.25 179.24 1faf h TYR 34 N 0.36 0.99 0.13 0.00 5.03 0.27 -0.17 116.97 123.58 1faf h TYR 34 Ca 0.05 0.03 -0.28 0.00 2.58 0.00 0.00 58.73 61.10 1faf h TYR 34 Cb 0.73 -0.32 0.02 0.00 1.55 0.00 0.00 36.73 38.71 1faf h TYR 34 CO 0.02 0.39 -1.24 0.87 -1.32 0.00 0.00 178.16 176.88 1faf h LYS 35 N 0.86 0.42 -0.39 1.82 6.56 -1.24 -1.81 116.57 122.80 1faf h LYS 35 Ca 0.47 -0.63 -0.01 0.00 -1.06 0.00 0.00 60.65 59.42 1faf h LYS 35 Cb 0.57 0.22 -0.02 0.00 -0.57 0.00 0.00 32.23 32.43 1faf h LYS 35 CO -0.23 1.28 0.21 1.96 -2.06 0.00 0.00 179.45 180.61 1faf h GLN 36 N 0.16 0.54 0.00 3.15 1.08 -0.91 -1.52 115.11 117.61 1faf h GLN 36 Ca -0.16 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 1faf h GLN 36 Cb 1.93 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 29.25 1faf h GLN 36 CO 0.22 0.44 -0.07 1.96 -0.95 0.00 0.00 178.83 180.43 1faf h GLN 37 N 0.50 0.00 -0.12 1.46 1.08 -1.17 -3.22 115.11 113.65 1faf h GLN 37 Ca 0.14 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.18 1faf h GLN 37 Cb 0.06 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 1faf h GLN 37 CO -0.02 0.00 -0.61 0.77 -0.95 0.00 0.00 178.83 178.02 1faf h SER 38 N 0.00 0.47 -0.47 1.46 0.02 -0.84 -1.93 113.55 112.25 1faf h SER 38 Ca 0.00 -0.27 -0.09 0.00 -0.84 0.00 0.00 61.79 60.59 1faf h SER 38 Cb 0.96 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 1faf h SER 38 CO 0.00 0.97 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.55 1faf h LEU 39 N 0.30 0.89 0.00 5.07 3.38 -1.30 -2.39 115.31 121.27 1faf h LEU 39 Ca -0.01 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1faf h LEU 39 Cb 1.15 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1faf h LEU 39 CO 0.11 0.97 -0.08 0.00 0.09 0.00 0.00 178.44 179.52 1faf n LEU 40 N -4.18 0.82 -0.94 1.67 -0.00 -1.18 -3.12 117.00 110.07 1faf n LEU 40 Ca 0.02 0.53 0.11 0.00 -0.00 0.00 0.00 56.01 56.67 1faf n LEU 40 Cb 0.34 -0.30 0.27 0.00 -0.00 0.00 0.00 43.42 43.74 1faf n LEU 40 CO 0.43 -0.17 0.73 0.18 -0.00 0.00 0.00 177.39 178.56 1faf n LEU 41 N -2.26 2.79 -4.77 1.47 4.77 -0.73 -3.63 117.00 114.63 1faf n LEU 41 Ca 0.05 -1.24 -0.39 0.00 -0.03 0.00 0.00 56.01 54.40 1faf n LEU 41 Cb 0.43 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.23 1faf n LEU 41 CO 0.31 0.62 0.33 -2.28 -1.33 0.00 0.00 177.39 175.05 1faf s HIS 42 N -1.53 3.73 0.47 -1.77 2.46 -0.99 -3.61 115.29 114.06 1faf s HIS 42 Ca 0.36 1.29 0.31 0.00 0.47 0.00 0.00 55.06 57.49 1faf s HIS 42 Cb 0.20 -2.64 1.40 0.00 -0.13 0.00 0.00 32.58 31.42 1faf s HIS 42 CO 0.28 0.39 1.72 -1.35 -2.47 0.00 0.00 174.74 173.31 1faf h PRO 43 N 5.35 0.14 0.00 2.88 0.11 -1.88 0.90 132.00 139.51 1faf h PRO 43 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1faf h PRO 43 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1faf h PRO 43 CO 0.68 0.09 0.00 -0.25 -0.21 0.00 0.00 178.00 178.32 1faf n ASP 44 N -4.44 0.45 -0.78 -2.05 9.92 -1.26 -3.00 116.55 115.40 1faf n ASP 44 Ca 0.31 0.58 0.03 0.00 -0.53 0.00 0.00 54.79 55.18 1faf n ASP 44 Cb 1.27 -0.69 0.18 0.00 -0.64 0.00 0.00 41.12 41.25 1faf n ASP 44 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1faf n LYS 45 N -1.96 1.72 -3.29 -1.24 4.76 0.31 -4.97 118.16 113.48 1faf n LYS 45 Ca 0.04 -3.34 -0.15 0.00 -2.87 0.00 0.00 58.31 51.99 1faf n LYS 45 Cb 0.28 -1.62 0.08 0.00 -1.84 0.00 0.00 35.03 31.93 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 -1.01 -0.68 3.68 0.72 0.00 -1.12 -4.76 105.19 102.02 1faf n GLY 46 Ca 0.21 0.30 -0.26 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.88 2.39 0.23 -0.02 0.00 -0.96 -4.86 107.32 100.22 1faf s GLY 47 Ca 0.20 -2.19 -0.11 0.00 0.00 0.00 0.00 44.72 42.62 1faf s GLY 47 CO 0.71 -2.00 0.57 -0.56 0.00 0.00 0.00 173.10 171.83 1faf s SER 48 N -3.80 6.68 0.00 1.64 0.01 -1.24 -4.38 113.70 112.61 1faf s SER 48 Ca 0.38 0.99 -0.08 0.00 1.31 0.00 0.00 55.95 58.55 1faf s SER 48 Cb 0.06 -2.26 -0.30 0.00 0.21 0.00 0.00 66.02 63.73 1faf s SER 48 CO 0.20 -0.06 0.86 -0.74 0.41 0.00 0.00 173.24 173.91 1faf h HIS 49 N 2.66 0.65 0.00 2.43 2.76 -2.00 -3.13 115.15 118.53 1faf h HIS 49 Ca -0.47 -0.47 -0.11 0.00 -2.20 0.00 0.00 60.37 57.11 1faf h HIS 49 Cb 1.17 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 30.09 1faf h HIS 49 CO 0.62 1.50 -0.55 0.00 -1.30 0.00 0.00 177.93 178.20 1faf h ALA 50 N 0.32 0.98 -0.00 5.26 0.00 -1.96 -2.91 119.26 120.95 1faf h ALA 50 Ca -0.26 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.14 1faf h ALA 50 Cb 2.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1faf h ALA 50 CO 0.20 0.68 -0.02 -0.07 0.00 0.00 0.00 179.25 180.04 1faf h LEU 51 N 0.00 0.02 -1.17 0.00 4.07 -1.95 -1.23 115.31 115.05 1faf h LEU 51 Ca -0.01 -0.70 0.06 0.00 0.08 0.00 0.00 57.88 57.32 1faf h LEU 51 Cb 1.04 -0.01 -0.06 0.00 1.08 0.00 0.00 40.66 42.72 1faf h LEU 51 CO 0.07 0.72 0.58 -0.03 -1.08 0.00 0.00 178.44 178.69 1faf h MET 52 N -0.67 0.98 0.03 1.13 4.05 -1.59 -0.40 114.93 118.46 1faf h MET 52 Ca -0.00 -0.06 -0.22 0.00 -0.28 0.00 0.00 59.70 59.14 1faf h MET 52 Cb 0.72 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.28 1faf h MET 52 CO 0.00 0.65 -1.00 -0.56 0.23 0.00 0.00 176.91 176.23 1faf h GLN 53 N 1.01 0.13 -0.07 0.39 -0.00 -1.57 -2.76 115.11 112.24 1faf h GLN 53 Ca 0.38 -0.19 -0.01 0.00 -0.00 0.00 0.00 58.65 58.83 1faf h GLN 53 Cb 0.19 0.06 -0.00 0.00 -0.00 0.00 0.00 27.48 27.73 1faf h GLN 53 CO -0.14 1.02 0.02 1.49 -0.00 0.00 0.00 178.83 181.22 1faf h GLU 54 N 0.06 0.11 -0.84 0.06 4.57 -0.41 -2.46 114.58 115.67 1faf h GLU 54 Ca -0.05 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 1faf h GLU 54 Cb 1.70 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 30.24 1faf h GLU 54 CO 0.15 0.31 0.45 1.25 -1.18 0.00 0.00 179.01 179.99 1faf h LEU 55 N -0.11 1.05 -1.65 1.64 5.85 -1.18 -1.92 115.31 118.99 1faf h LEU 55 Ca 0.02 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1faf h LEU 55 Cb 0.25 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1faf h LEU 55 CO 0.00 0.85 0.16 0.78 -0.34 0.00 0.00 178.44 179.89 1faf h ASN 56 N 1.18 0.35 0.20 1.25 2.35 -1.32 0.43 115.58 120.01 1faf h ASN 56 Ca 0.30 -0.02 -0.22 0.00 -0.55 0.00 0.00 56.30 55.81 1faf h ASN 56 Cb 0.04 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1faf h ASN 56 CO -0.05 0.28 -0.86 -1.28 -1.65 0.00 0.00 177.43 173.87 1faf h SER 57 N 0.40 0.62 1.11 5.81 0.87 -0.89 0.29 113.55 121.77 1faf h SER 57 Ca 0.10 -0.45 -0.18 0.00 -1.23 0.00 0.00 61.79 60.03 1faf h SER 57 Cb 0.01 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.76 1faf h SER 57 CO -0.02 1.23 -0.85 -0.07 -0.53 0.00 0.00 176.83 176.60 1faf h LEU 58 N 0.31 0.00 0.00 2.23 3.38 -0.84 -3.02 115.31 117.36 1faf h LEU 58 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1faf h LEU 58 Cb 1.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.23 1faf h LEU 58 CO 0.16 0.85 -0.91 -0.25 0.09 0.00 0.00 178.44 178.37 1faf h TRP 59 N 0.00 0.00 0.22 1.13 2.91 -0.18 -3.17 115.95 116.86 1faf h TRP 59 Ca -0.01 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.00 1faf h TRP 59 Cb 1.64 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.29 1faf h TRP 59 CO 0.00 0.00 -0.11 0.78 -1.03 0.00 0.00 178.44 178.08 1faf h GLY 60 N 4.14 -0.31 0.69 2.65 0.00 -0.41 -0.97 103.07 108.86 1faf h GLY 60 Ca 0.00 0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.48 1faf h GLY 60 CO 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 176.54 176.38 1faf h THR 61 N -0.99 0.83 -0.75 4.70 1.03 -1.72 -0.86 112.91 115.14 1faf h THR 61 Ca -0.03 0.00 0.15 0.00 -0.01 0.00 0.00 66.41 66.52 1faf h THR 61 Cb 0.23 0.83 -0.14 0.00 -1.07 0.00 0.00 68.15 68.00 1faf h THR 61 CO 0.05 0.00 -0.16 0.15 -0.01 0.00 0.00 175.52 175.55 1faf h PHE 62 N -0.02 -0.35 -0.99 0.00 3.57 -1.67 0.60 116.94 118.08 1faf h PHE 62 Ca 0.07 0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.69 1faf h PHE 62 Cb 0.13 0.27 -0.06 0.00 2.79 0.00 0.00 35.95 39.07 1faf h PHE 62 CO -0.19 -0.31 0.64 -0.22 -2.23 0.00 0.00 178.31 176.00 1faf h LYS 63 N 0.01 1.14 -0.72 1.11 3.64 0.14 0.90 116.57 122.80 1faf h LYS 63 Ca 0.37 -0.07 0.11 0.00 -1.27 0.00 0.00 60.65 59.79 1faf h LYS 63 Cb 0.58 -0.26 -0.08 0.00 -0.41 0.00 0.00 32.23 32.06 1faf h LYS 63 CO -0.76 0.75 0.31 1.15 -2.27 0.00 0.00 179.45 178.64 1faf h THR 64 N 1.17 0.75 0.00 1.00 2.02 0.14 0.25 112.91 118.24 1faf h THR 64 Ca 0.42 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.43 1faf h THR 64 Cb 0.13 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1faf h THR 64 CO -0.16 0.09 -0.28 1.05 0.37 0.00 0.00 175.52 176.59 1faf h GLU 65 N 0.50 0.00 -0.32 6.66 -0.00 -0.71 -3.33 114.58 117.39 1faf h GLU 65 Ca 0.37 0.00 0.04 0.00 -0.00 0.00 0.00 59.36 59.77 1faf h GLU 65 Cb 0.49 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.20 1faf h GLU 65 CO -0.33 0.00 0.09 0.28 -0.00 0.00 0.00 179.01 179.04 1faf h VAL 66 N 0.00 0.88 0.00 -1.06 2.07 0.43 0.80 116.25 119.38 1faf h VAL 66 Ca 0.00 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1faf h VAL 66 Cb 0.96 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1faf h VAL 66 CO 0.00 0.04 -0.01 1.88 0.02 0.00 0.00 177.57 179.49 1faf h TYR 67 N 0.21 0.00 0.00 1.57 -1.99 -1.55 -0.82 116.97 114.39 1faf h TYR 67 Ca 0.14 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.85 1faf h TYR 67 Cb 0.14 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.86 1faf h TYR 67 CO -0.16 0.01 -1.12 0.09 -0.00 0.00 0.00 178.16 176.98 1faf n ASN 68 N -4.05 0.81 -0.21 3.88 3.02 -0.07 -4.08 115.26 114.56 1faf n ASN 68 Ca -0.03 0.32 -0.02 0.00 -0.03 0.00 0.00 54.58 54.82 1faf n ASN 68 Cb 0.10 0.48 0.18 0.00 -0.61 0.00 0.00 39.78 39.93 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 0.90 0.00 3.41 8.10 0.21 -0.50 115.31 127.42 1faf h LEU 69 Ca -0.03 -0.10 0.00 0.00 0.11 0.00 0.00 57.88 57.87 1faf h LEU 69 Cb 1.09 -0.23 0.00 0.00 -0.44 0.00 0.00 40.66 41.09 1faf h LEU 69 CO 0.01 0.76 0.00 0.54 -4.11 0.00 0.00 178.44 175.64 1faf n ARG 70 N -4.33 0.71 -0.05 0.17 1.74 -1.19 -3.08 116.66 110.63 1faf n ARG 70 Ca 0.07 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.08 1faf n ARG 70 Cb 0.14 -1.45 -0.05 0.00 -1.02 0.00 0.00 32.46 30.08 1faf n ARG 70 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1faf n MET 71 N -0.95 0.42 -2.08 5.56 2.81 -0.50 -5.01 117.12 117.37 1faf n MET 71 Ca 0.15 0.05 -0.40 0.00 -1.81 0.00 0.00 57.70 55.69 1faf n MET 71 Cb 0.07 -1.20 -0.01 0.00 -0.71 0.00 0.00 33.22 31.37 1faf n MET 71 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1faf s ASN 72 N -4.90 6.58 -1.04 7.83 0.01 -0.31 -4.94 114.94 118.18 1faf s ASN 72 Ca -0.13 2.69 -0.19 0.00 -0.71 0.00 0.00 52.86 54.53 1faf s ASN 72 Cb 0.03 -2.65 0.11 0.00 0.41 0.00 0.00 41.25 39.16 1faf s ASN 72 CO 0.24 -0.67 1.31 -1.48 -1.51 0.00 0.00 177.10 174.99 1faf s LEU 73 N -2.04 4.58 -0.38 0.60 0.05 -1.26 -4.71 118.68 115.52 1faf s LEU 73 Ca 0.52 -2.12 0.12 0.00 0.05 0.00 0.00 54.13 52.70 1faf s LEU 73 Cb -0.39 -2.46 0.40 0.00 -2.05 0.00 0.00 46.19 41.69 1faf s LEU 73 CO 0.52 -1.12 1.15 0.61 -0.55 0.00 0.00 176.35 176.96 1faf n GLY 74 N 5.56 1.48 0.00 -3.48 0.00 -1.26 -4.93 105.19 102.55 1faf n GLY 74 Ca 0.31 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.25 0.00 3.86 -0.02 0.00 -1.26 -5.16 105.19 102.35 1faf n GLY 75 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 4.74 -0.26 2.61 2.01 -1.26 -4.97 115.64 118.51 1faf s THR 76 Ca 0.00 0.78 -0.01 0.00 0.31 0.00 0.00 61.69 62.77 1faf s THR 76 Cb 0.00 -3.67 0.13 0.00 0.01 0.00 0.00 72.50 68.98 1faf s THR 76 CO 0.00 -0.34 2.18 0.61 -0.69 0.00 0.00 174.62 176.38 1faf n GLY 77 N -0.79 3.79 1.68 4.40 0.00 -1.26 -4.40 105.19 108.60 1faf n GLY 77 Ca 0.03 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 44.98 1faf n GLY 77 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1faf n PHE 78 N 0.72 1.81 0.90 1.61 7.35 -1.26 -5.33 117.46 123.26 1faf n PHE 78 Ca 0.27 -1.03 0.11 0.00 -0.76 0.00 0.00 57.45 56.04 1faf n PHE 78 Cb 0.58 -0.58 0.09 0.00 0.35 0.00 0.00 39.48 39.91 1faf n PHE 78 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04