#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 4.02 -3.37 7.83 8.00 -1.26 -4.93 116.55 126.85 1faf n ASP 2 Ca 0.00 0.92 -0.26 0.00 0.71 0.00 0.00 54.79 56.16 1faf n ASP 2 Cb 0.00 -1.50 -0.10 0.00 -0.02 0.00 0.00 41.12 39.51 1faf n ASP 2 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1faf n ARG 3 N 7.26 0.23 -3.73 -1.24 3.00 -1.26 -5.09 116.66 115.83 1faf n ARG 3 Ca 0.20 -3.16 -0.19 0.00 -0.01 0.00 0.00 57.85 54.70 1faf n ARG 3 Cb 0.38 -1.63 -0.17 0.00 0.00 0.00 0.00 32.46 31.04 1faf n ARG 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1faf s VAL 4 N -0.02 -0.02 0.33 1.55 -7.23 -1.26 -4.80 120.40 108.94 1faf s VAL 4 Ca 0.33 0.32 -0.15 0.00 -1.81 0.00 0.00 61.98 60.67 1faf s VAL 4 Cb 0.05 -0.19 -0.09 0.00 0.56 0.00 0.00 36.38 36.71 1faf s VAL 4 CO -0.19 0.17 0.75 -1.48 -0.31 0.00 0.00 175.10 174.03 1faf s LEU 5 N 1.80 4.06 0.00 1.32 2.34 -1.26 -5.09 118.68 121.86 1faf s LEU 5 Ca 0.01 1.30 -0.03 0.00 0.06 0.00 0.00 54.13 55.47 1faf s LEU 5 Cb -0.12 -4.10 0.13 0.00 -0.56 0.00 0.00 46.19 41.54 1faf s LEU 5 CO -0.03 -0.21 0.89 -1.54 -1.06 0.00 0.00 176.35 174.40 1faf n SER 6 N -0.36 0.94 -0.14 1.48 3.41 -1.26 -4.77 113.62 112.93 1faf n SER 6 Ca 0.04 -1.85 0.18 0.00 -0.26 0.00 0.00 58.87 56.97 1faf n SER 6 Cb 0.53 -0.60 0.56 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.29 -0.28 4.33 2.43 -1.98 -0.54 114.38 118.62 1faf h ARG 7 Ca -0.29 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.81 1faf h ARG 7 Cb 1.02 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1faf h ARG 7 CO 0.29 0.19 -0.01 0.00 -1.51 0.00 0.00 179.97 178.93 1faf h ALA 8 N 1.66 0.38 0.33 2.80 0.00 -1.97 -0.72 119.26 121.74 1faf h ALA 8 Ca 0.36 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1faf h ALA 8 Cb 0.97 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1faf h ALA 8 CO -0.09 0.14 -0.16 -0.44 0.00 0.00 0.00 179.25 178.70 1faf h ASP 9 N 0.29 -0.37 -0.94 0.00 3.32 -1.51 0.11 116.42 117.32 1faf h ASP 9 Ca 0.08 -0.17 0.11 0.00 0.02 0.00 0.00 57.03 57.07 1faf h ASP 9 Cb 0.44 0.10 -0.07 0.00 0.22 0.00 0.00 39.33 40.02 1faf h ASP 9 CO 0.02 0.03 0.60 0.07 -1.72 0.00 0.00 179.24 178.24 1faf h LYS 10 N -0.85 0.88 -0.01 3.56 2.10 -1.25 0.69 116.57 121.70 1faf h LYS 10 Ca -0.05 -0.05 -0.14 0.00 -2.00 0.00 0.00 60.65 58.42 1faf h LYS 10 Cb 0.52 -0.20 -0.02 0.00 -0.90 0.00 0.00 32.23 31.64 1faf h LYS 10 CO 0.07 0.58 -0.63 1.49 -2.00 0.00 0.00 179.45 178.96 1faf h GLU 11 N 0.91 0.03 0.01 0.07 4.57 -1.10 -2.87 114.58 116.19 1faf h GLU 11 Ca 0.45 -0.02 -0.19 0.00 -1.18 0.00 0.00 59.36 58.42 1faf h GLU 11 Cb 0.48 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 1faf h GLU 11 CO -0.21 0.65 -0.88 -0.09 -1.18 0.00 0.00 179.01 177.30 1faf h ARG 12 N 0.02 0.08 -0.35 1.92 2.43 0.20 -3.08 114.38 115.60 1faf h ARG 12 Ca -0.01 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.00 1faf h ARG 12 Cb 1.13 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 1faf h ARG 12 CO 0.08 0.90 -0.06 1.25 -1.51 0.00 0.00 179.97 180.64 1faf h LEU 13 N 0.04 0.56 -0.03 3.80 5.85 0.41 -2.64 115.31 123.30 1faf h LEU 13 Ca -0.03 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1faf h LEU 13 Cb 1.52 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.41 1faf h LEU 13 CO 0.12 0.67 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.81 1faf h LEU 14 N 0.55 0.06 -2.78 2.25 3.38 -1.46 -0.63 115.31 116.67 1faf h LEU 14 Ca 0.11 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1faf h LEU 14 Cb 0.43 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1faf h LEU 14 CO 0.02 0.40 0.01 -0.08 0.09 0.00 0.00 178.44 178.88 1faf h GLU 15 N -0.27 0.00 0.05 1.13 4.81 -1.44 -1.25 114.58 117.61 1faf h GLU 15 Ca 0.01 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.92 1faf h GLU 15 Cb 0.37 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 1faf h GLU 15 CO 0.00 0.00 -1.81 -0.07 -0.73 0.00 0.00 179.01 176.40 1faf h LEU 16 N 0.00 0.18 -0.45 1.64 3.38 -1.20 -3.34 115.31 115.51 1faf h LEU 16 Ca 0.00 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1faf h LEU 16 Cb 0.02 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1faf h LEU 16 CO -0.00 1.35 0.00 0.18 0.09 0.00 0.00 178.44 180.06 1faf n LEU 17 N -3.23 0.69 -1.15 1.67 4.32 -0.27 -4.88 117.00 114.16 1faf n LEU 17 Ca -0.23 -0.24 -0.12 0.00 -0.02 0.00 0.00 56.01 55.41 1faf n LEU 17 Cb 1.05 -0.01 -0.05 0.00 -1.62 0.00 0.00 43.42 42.79 1faf n LEU 17 CO 0.44 0.12 -0.11 0.29 -1.22 0.00 0.00 177.39 176.91 1faf n LYS 18 N -0.44 -1.45 -3.47 3.23 4.01 -0.55 -4.69 118.16 114.79 1faf n LYS 18 Ca 0.21 0.77 -0.43 0.00 -0.51 0.00 0.00 58.31 58.35 1faf n LYS 18 Cb 0.22 -4.96 -0.10 0.00 -0.51 0.00 0.00 35.03 29.67 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 -3.17 5.03 0.00 -0.35 0.20 -1.16 -5.06 118.68 114.16 1faf s LEU 19 Ca 0.00 -0.83 -0.13 0.00 0.69 0.00 0.00 54.13 53.86 1faf s LEU 19 Cb 0.00 -2.16 0.21 0.00 -0.43 0.00 0.00 46.19 43.80 1faf s LEU 19 CO 0.00 -0.43 0.47 -2.65 -0.29 0.00 0.00 176.35 173.45 1faf n PRO 20 N 5.17 -1.74 0.07 0.98 -0.02 -1.26 -4.72 135.00 133.47 1faf n PRO 20 Ca -0.11 -0.78 0.01 0.00 -2.02 0.00 0.00 63.50 60.60 1faf n PRO 20 Cb 0.47 -1.47 -0.05 0.00 -0.02 0.00 0.00 33.50 32.43 1faf n PRO 20 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1faf h ARG 21 N 0.00 0.00 0.00 -0.52 0.11 -1.98 -3.32 114.38 108.67 1faf h ARG 21 Ca -0.21 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.87 1faf h ARG 21 Cb 0.72 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.80 1faf h ARG 21 CO 0.13 0.34 0.00 0.94 0.10 0.00 0.00 179.97 181.48 1faf n GLN 22 N -2.98 0.01 -0.10 0.08 -0.06 -1.26 -1.28 117.38 111.79 1faf n GLN 22 Ca -0.05 0.45 0.03 0.00 -2.00 0.00 0.00 57.00 55.43 1faf n GLN 22 Cb 0.79 -1.54 0.05 0.00 -4.06 0.00 0.00 30.24 25.48 1faf n GLN 22 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 1faf n LEU 23 N -1.56 1.50 -4.53 1.69 -0.00 -1.25 -5.01 117.00 107.83 1faf n LEU 23 Ca 0.01 -1.90 -0.23 0.00 -0.00 0.00 0.00 56.01 53.88 1faf n LEU 23 Cb 0.05 -0.15 -0.12 0.00 -0.00 0.00 0.00 43.42 43.20 1faf n LEU 23 CO 0.04 0.45 1.74 1.87 -0.00 0.00 0.00 177.39 181.50 1faf n TRP 24 N -0.66 0.80 0.00 1.47 -0.00 -0.41 0.71 117.44 119.35 1faf n TRP 24 Ca 0.05 0.06 0.00 0.00 -0.00 0.00 0.00 57.50 57.62 1faf n TRP 24 Cb 0.49 -1.98 0.00 0.00 -0.00 0.00 0.00 31.31 29.82 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 6.25 1.38 3.57 5.87 0.00 -1.26 -5.05 105.19 115.95 1faf n GLY 25 Ca 0.54 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.68 3.65 0.50 1.61 -1.08 0.22 -4.73 116.67 116.16 1faf s ASP 26 Ca 0.00 -0.79 0.35 0.00 -0.52 0.00 0.00 52.55 51.59 1faf s ASP 26 Cb 0.00 -2.59 1.49 0.00 -1.46 0.00 0.00 42.92 40.36 1faf s ASP 26 CO 0.00 -4.44 1.71 0.15 0.52 0.00 0.00 175.17 173.11 1faf h PHE 27 N 11.73 0.22 -0.16 -5.34 3.57 -1.97 0.62 116.94 125.61 1faf h PHE 27 Ca 0.02 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.38 1faf h PHE 27 Cb 0.99 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1faf h PHE 27 CO 1.06 -0.03 -0.55 0.78 -2.23 0.00 0.00 178.31 177.35 1faf h GLY 28 N 0.09 0.51 0.11 2.40 0.00 -1.98 -1.98 103.07 102.21 1faf h GLY 28 Ca 0.70 -0.59 -0.15 0.00 0.00 0.00 0.00 47.33 47.29 1faf h GLY 28 CO -0.14 0.53 -0.82 3.21 0.00 0.00 0.00 176.54 179.32 1faf h ARG 29 N 0.36 0.05 -0.25 4.80 2.47 -0.28 -2.90 114.38 118.63 1faf h ARG 29 Ca 0.01 -0.08 0.01 0.00 -1.26 0.00 0.00 59.98 58.66 1faf h ARG 29 Cb 1.07 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.40 1faf h ARG 29 CO 0.10 1.04 0.15 0.00 0.56 0.00 0.00 179.97 181.82 1faf h MET 30 N -0.87 0.30 -0.36 0.04 -0.00 -0.92 0.30 114.93 113.41 1faf h MET 30 Ca -0.21 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.70 59.44 1faf h MET 30 Cb 1.28 -0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 32.79 1faf h MET 30 CO -0.08 0.20 0.09 0.37 -0.00 0.00 0.00 176.91 177.49 1faf h GLN 31 N 0.31 0.58 -0.67 -0.10 4.15 -1.54 0.87 115.11 118.70 1faf h GLN 31 Ca 0.09 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 1faf h GLN 31 Cb -0.02 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 1faf h GLN 31 CO -0.04 0.61 0.35 0.37 -1.93 0.00 0.00 178.83 178.20 1faf h GLN 32 N 0.44 0.94 0.07 1.69 5.75 -1.28 -1.81 115.11 120.90 1faf h GLN 32 Ca 0.11 -0.11 -0.25 0.00 -0.15 0.00 0.00 58.65 58.26 1faf h GLN 32 Cb 0.29 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.66 1faf h GLN 32 CO 0.00 0.70 -1.11 0.00 -2.65 0.00 0.00 178.83 175.77 1faf h ALA 33 N 1.45 0.23 -0.54 3.38 0.00 -0.07 -2.82 119.26 120.88 1faf h ALA 33 Ca 0.24 -0.82 0.03 0.00 0.00 0.00 0.00 54.91 54.36 1faf h ALA 33 Cb 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1faf h ALA 33 CO -0.04 0.93 0.31 -0.92 0.00 0.00 0.00 179.25 179.53 1faf h TYR 34 N 0.12 0.57 -0.19 0.00 5.03 0.13 0.54 116.97 123.17 1faf h TYR 34 Ca -0.10 0.02 -0.13 0.00 2.58 0.00 0.00 58.73 61.09 1faf h TYR 34 Cb 1.80 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 39.89 1faf h TYR 34 CO 0.06 0.31 -0.44 -0.22 -1.32 0.00 0.00 178.16 176.54 1faf h LYS 35 N 0.60 0.47 -0.17 1.82 3.64 -1.41 0.13 116.57 121.66 1faf h LYS 35 Ca 0.23 -0.25 -0.14 0.00 -1.27 0.00 0.00 60.65 59.22 1faf h LYS 35 Cb 0.07 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1faf h LYS 35 CO -0.12 0.82 -0.50 1.96 -2.27 0.00 0.00 179.45 179.35 1faf h GLN 36 N 0.38 0.45 0.00 1.90 1.08 -1.09 -2.74 115.11 115.09 1faf h GLN 36 Ca 0.03 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 1faf h GLN 36 Cb 0.93 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.38 1faf h GLN 36 CO 0.08 0.84 -0.36 1.96 -0.95 0.00 0.00 178.83 180.40 1faf h GLN 37 N 0.35 0.00 -0.07 1.46 1.08 0.24 -3.29 115.11 114.89 1faf h GLN 37 Ca 0.02 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.04 1faf h GLN 37 Cb 1.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.42 1faf h GLN 37 CO 0.09 0.00 -0.73 0.77 -0.95 0.00 0.00 178.83 178.01 1faf h SER 38 N 0.00 0.44 -0.62 1.46 0.02 -0.53 -2.16 113.55 112.16 1faf h SER 38 Ca 0.00 -0.29 -0.07 0.00 -0.84 0.00 0.00 61.79 60.59 1faf h SER 38 Cb 1.00 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 1faf h SER 38 CO 0.00 1.03 0.11 -0.07 -1.14 0.00 0.00 176.83 176.75 1faf h LEU 39 N 0.25 0.98 0.00 5.07 3.38 -1.56 -1.93 115.31 121.51 1faf h LEU 39 Ca -0.03 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1faf h LEU 39 Cb 1.30 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1faf h LEU 39 CO 0.12 0.99 -0.04 0.00 0.09 0.00 0.00 178.44 179.60 1faf n LEU 40 N -4.28 0.46 -0.55 1.67 -0.00 -1.21 -3.03 117.00 110.06 1faf n LEU 40 Ca 0.03 0.52 0.12 0.00 -0.00 0.00 0.00 56.01 56.68 1faf n LEU 40 Cb 0.28 -0.39 0.23 0.00 -0.00 0.00 0.00 43.42 43.54 1faf n LEU 40 CO 0.42 -0.09 0.59 0.18 -0.00 0.00 0.00 177.39 178.49 1faf n LEU 41 N -1.92 1.91 -4.76 1.47 4.77 -0.81 -4.04 117.00 113.62 1faf n LEU 41 Ca 0.06 -0.64 -0.39 0.00 -0.03 0.00 0.00 56.01 55.01 1faf n LEU 41 Cb 0.39 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.40 1faf n LEU 41 CO 0.29 0.34 0.75 -2.28 -1.33 0.00 0.00 177.39 175.16 1faf s HIS 42 N -2.27 3.59 -1.03 -1.77 2.46 -0.78 -4.11 115.29 111.39 1faf s HIS 42 Ca 0.26 1.73 0.04 0.00 0.47 0.00 0.00 55.06 57.57 1faf s HIS 42 Cb 0.19 -3.18 0.19 0.00 -0.13 0.00 0.00 32.58 29.66 1faf s HIS 42 CO 0.44 -0.34 1.13 -0.35 -2.47 0.00 0.00 174.74 173.15 1faf n PRO 43 N 0.94 0.01 0.09 2.88 -0.04 -1.26 -1.73 135.00 135.89 1faf n PRO 43 Ca 0.00 0.41 0.03 0.00 -0.04 0.00 0.00 63.50 63.90 1faf n PRO 43 Cb 0.46 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.41 1faf n PRO 43 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1faf h ASP 44 N 0.00 0.00 -0.74 3.54 3.32 -1.91 -3.30 116.42 117.33 1faf h ASP 44 Ca 0.00 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 1faf h ASP 44 Cb 0.07 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.50 1faf h ASP 44 CO 0.00 0.43 0.26 0.29 -1.72 0.00 0.00 179.24 178.50 1faf n LYS 45 N -3.00 3.84 0.00 3.56 4.01 -0.71 -4.88 118.16 120.98 1faf n LYS 45 Ca -0.03 -3.11 0.00 0.00 -0.51 0.00 0.00 58.31 54.66 1faf n LYS 45 Cb 0.74 -2.23 0.00 0.00 -0.51 0.00 0.00 35.03 33.03 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 -0.10 2.34 3.62 0.72 0.00 -1.24 -4.96 105.19 105.57 1faf n GLY 46 Ca 0.41 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.96 1.62 0.33 -0.02 0.00 -0.88 -4.96 107.32 101.45 1faf s GLY 47 Ca 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 44.72 44.81 1faf s GLY 47 CO 0.00 0.70 0.63 -0.56 0.00 0.00 0.00 173.10 173.87 1faf s SER 48 N -2.83 6.47 -0.00 1.64 0.01 -1.26 -3.99 113.70 113.74 1faf s SER 48 Ca 0.66 0.85 -0.09 0.00 1.31 0.00 0.00 55.95 58.69 1faf s SER 48 Cb -0.22 -2.20 -0.31 0.00 0.21 0.00 0.00 66.02 63.50 1faf s SER 48 CO 0.60 -0.27 0.85 0.45 0.41 0.00 0.00 173.24 175.28 1faf h HIS 49 N 1.50 0.68 0.00 2.43 3.86 -1.95 -3.21 115.15 118.46 1faf h HIS 49 Ca -0.48 -0.49 -0.01 0.00 -1.16 0.00 0.00 60.37 58.23 1faf h HIS 49 Cb 1.19 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 29.63 1faf h HIS 49 CO 0.58 1.52 -0.04 0.00 0.86 0.00 0.00 177.93 180.85 1faf h ALA 50 N 0.29 1.23 0.00 2.45 0.00 -1.95 -2.29 119.26 119.00 1faf h ALA 50 Ca -0.27 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1faf h ALA 50 Cb 2.08 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.86 1faf h ALA 50 CO 0.20 0.05 -0.26 -0.07 0.00 0.00 0.00 179.25 179.17 1faf h LEU 51 N 0.00 0.00 -0.61 0.00 4.07 -1.92 -3.24 115.31 113.61 1faf h LEU 51 Ca -0.00 -0.74 0.08 0.00 0.08 0.00 0.00 57.88 57.30 1faf h LEU 51 Cb 0.16 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.84 1faf h LEU 51 CO 0.01 1.02 0.28 -0.03 -1.08 0.00 0.00 178.44 178.64 1faf h MET 52 N -1.00 0.49 0.00 1.13 4.05 -1.52 0.08 114.93 118.17 1faf h MET 52 Ca -0.07 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.32 1faf h MET 52 Cb 0.91 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.60 1faf h MET 52 CO -0.04 0.33 -0.03 -0.56 0.23 0.00 0.00 176.91 176.83 1faf h GLN 53 N 0.51 0.00 -0.02 0.39 -0.00 -1.57 -2.45 115.11 111.97 1faf h GLN 53 Ca 0.30 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.84 1faf h GLN 53 Cb 0.29 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 27.78 1faf h GLN 53 CO -0.25 0.03 -0.41 0.93 -0.00 0.00 0.00 178.83 179.14 1faf h GLU 54 N 0.00 0.32 0.15 0.06 5.08 -1.04 -2.95 114.58 116.20 1faf h GLU 54 Ca -0.00 -0.31 0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1faf h GLU 54 Cb 0.07 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1faf h GLU 54 CO 0.00 0.99 -0.35 1.25 -1.00 0.00 0.00 179.01 179.91 1faf h LEU 55 N -0.24 -1.01 -1.07 1.33 5.85 -0.86 0.23 115.31 119.54 1faf h LEU 55 Ca -0.05 0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.89 1faf h LEU 55 Cb 1.12 0.38 -0.08 0.00 0.37 0.00 0.00 40.66 42.45 1faf h LEU 55 CO 0.08 -0.44 0.62 -1.13 -0.34 0.00 0.00 178.44 177.23 1faf h ASN 56 N -0.60 0.92 0.05 1.25 -0.73 -1.61 0.67 115.58 115.53 1faf h ASN 56 Ca 0.02 0.03 -0.10 0.00 1.87 0.00 0.00 56.30 58.12 1faf h ASN 56 Cb 0.61 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 39.04 1faf h ASN 56 CO -0.19 0.52 -0.33 -1.28 -0.37 0.00 0.00 177.43 175.79 1faf h SER 57 N 1.00 0.41 1.49 1.15 0.87 -1.18 0.11 113.55 117.40 1faf h SER 57 Ca 0.46 -0.15 -0.05 0.00 -1.23 0.00 0.00 61.79 60.82 1faf h SER 57 Cb 0.40 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1faf h SER 57 CO -0.22 0.71 -0.52 -0.07 -0.53 0.00 0.00 176.83 176.20 1faf h LEU 58 N 0.34 0.00 0.00 2.23 3.38 0.13 -3.15 115.31 118.24 1faf h LEU 58 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1faf h LEU 58 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1faf h LEU 58 CO 0.06 0.22 -0.84 -0.25 0.09 0.00 0.00 178.44 177.72 1faf h TRP 59 N 0.00 0.00 0.12 1.13 2.91 0.56 -3.12 115.95 117.55 1faf h TRP 59 Ca -0.02 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.99 1faf h TRP 59 Cb 1.19 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.84 1faf h TRP 59 CO 0.00 0.00 -0.06 0.78 -1.03 0.00 0.00 178.44 178.13 1faf h GLY 60 N 4.14 -0.17 0.48 2.65 0.00 -0.80 -2.06 103.07 107.31 1faf h GLY 60 Ca 0.00 0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.44 1faf h GLY 60 CO 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 176.54 176.37 1faf h THR 61 N -0.96 0.66 -0.79 4.70 1.03 -1.73 -0.45 112.91 115.36 1faf h THR 61 Ca -0.02 0.00 0.15 0.00 -0.01 0.00 0.00 66.41 66.54 1faf h THR 61 Cb 0.12 0.66 -0.15 0.00 -1.07 0.00 0.00 68.15 67.72 1faf h THR 61 CO 0.03 0.00 -0.24 0.15 -0.01 0.00 0.00 175.52 175.45 1faf h PHE 62 N -0.10 -0.56 -1.00 0.00 3.57 -1.68 0.66 116.94 117.83 1faf h PHE 62 Ca 0.11 0.08 0.09 0.00 3.53 0.00 0.00 57.97 61.78 1faf h PHE 62 Cb 0.26 0.37 -0.08 0.00 2.79 0.00 0.00 35.95 39.29 1faf h PHE 62 CO -0.26 -0.36 0.64 -0.22 -2.23 0.00 0.00 178.31 175.88 1faf h LYS 63 N -0.03 1.05 -1.05 1.11 3.64 -0.36 0.13 116.57 121.06 1faf h LYS 63 Ca 0.36 -0.06 0.29 0.00 -1.27 0.00 0.00 60.65 59.97 1faf h LYS 63 Cb 0.59 -0.24 -0.12 0.00 -0.41 0.00 0.00 32.23 32.05 1faf h LYS 63 CO -0.82 0.70 0.64 1.15 -2.27 0.00 0.00 179.45 178.84 1faf h THR 64 N 1.08 0.42 0.03 1.00 2.02 0.13 0.89 112.91 118.49 1faf h THR 64 Ca 0.46 -0.14 -0.27 0.00 0.77 0.00 0.00 66.41 67.24 1faf h THR 64 Cb 0.33 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 1faf h THR 64 CO -0.22 0.07 -1.44 -0.33 0.37 0.00 0.00 175.52 173.97 1faf h GLU 65 N 0.40 0.06 -0.53 6.66 4.39 -1.04 -3.35 114.58 121.18 1faf h GLU 65 Ca 0.67 -0.11 0.09 0.00 0.34 0.00 0.00 59.36 60.35 1faf h GLU 65 Cb 1.58 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 30.20 1faf h GLU 65 CO -0.45 0.82 0.13 0.28 -1.16 0.00 0.00 179.01 178.63 1faf h VAL 66 N 0.02 0.72 -0.01 3.13 2.07 0.26 1.01 116.25 123.44 1faf h VAL 66 Ca -0.19 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1faf h VAL 66 Cb 1.93 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1faf h VAL 66 CO 0.11 0.05 -0.00 0.22 0.02 0.00 0.00 177.57 177.97 1faf h TYR 67 N 0.27 0.02 0.00 1.57 3.20 -1.16 -1.73 116.97 119.14 1faf h TYR 67 Ca 0.27 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.07 1faf h TYR 67 Cb 0.35 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1faf h TYR 67 CO -0.22 0.02 -1.22 0.09 -1.64 0.00 0.00 178.16 175.19 1faf n ASN 68 N -4.53 0.81 0.06 -2.11 3.02 0.27 -4.05 115.26 108.73 1faf n ASN 68 Ca -0.03 0.33 0.11 0.00 -0.03 0.00 0.00 54.58 54.96 1faf n ASN 68 Cb 0.10 0.41 0.58 0.00 -0.61 0.00 0.00 39.78 40.26 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 0.18 -0.31 3.41 8.10 0.19 0.23 115.31 127.11 1faf h LEU 69 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.92 1faf h LEU 69 Cb 1.24 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 41.42 1faf h LEU 69 CO 0.02 0.12 0.00 0.54 -4.11 0.00 0.00 178.44 175.00 1faf n ARG 70 N -4.47 1.21 -0.05 0.17 1.74 -1.22 -3.35 116.66 110.69 1faf n ARG 70 Ca 0.04 -0.30 -0.01 0.00 -0.77 0.00 0.00 57.85 56.81 1faf n ARG 70 Cb 0.28 -1.43 -0.12 0.00 -1.02 0.00 0.00 32.46 30.16 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 -0.58 1.08 -2.53 5.56 2.81 0.76 -4.97 117.12 119.25 1faf n MET 71 Ca 0.20 -0.07 -0.41 0.00 -1.81 0.00 0.00 57.70 55.61 1faf n MET 71 Cb 0.17 -1.39 -0.04 0.00 -0.71 0.00 0.00 33.22 31.25 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 -4.43 7.31 -0.30 7.83 0.01 -0.94 -4.95 114.94 119.47 1faf s ASN 72 Ca -0.07 2.13 0.10 0.00 -0.71 0.00 0.00 52.86 54.31 1faf s ASN 72 Cb 0.07 -2.61 0.58 0.00 0.41 0.00 0.00 41.25 39.69 1faf s ASN 72 CO 0.64 -0.15 1.58 0.18 -1.51 0.00 0.00 177.10 177.84 1faf n LEU 73 N 1.91 4.80 -4.84 0.60 4.32 -1.26 -5.01 117.00 117.51 1faf n LEU 73 Ca 0.01 -3.50 -0.34 0.00 -0.02 0.00 0.00 56.01 52.16 1faf n LEU 73 Cb 0.46 -0.67 -0.06 0.00 -1.62 0.00 0.00 43.42 41.53 1faf n LEU 73 CO 0.53 1.03 0.32 -0.83 -1.22 0.00 0.00 177.39 177.22 1faf s GLY 74 N -1.98 2.43 0.00 -0.72 0.00 -1.26 -5.02 107.32 100.77 1faf s GLY 74 Ca 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 45.15 1faf s GLY 74 CO 0.06 0.21 0.00 0.61 0.00 0.00 0.00 173.10 173.98 1faf n GLY 75 N 0.31 3.30 1.22 0.20 0.00 -1.26 -5.10 105.19 103.86 1faf n GLY 75 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1faf n GLY 75 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1faf n THR 76 N 0.00 0.37 0.00 2.61 5.66 -1.26 -5.05 114.28 116.61 1faf n THR 76 Ca 0.00 0.12 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 1faf n THR 76 Cb 0.00 -1.32 0.00 0.00 -1.55 0.00 0.00 70.33 67.46 1faf n THR 76 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1faf n GLY 77 N 2.84 0.38 3.59 1.09 0.00 -1.26 -4.51 105.19 107.33 1faf n GLY 77 Ca 0.00 0.62 -0.42 0.00 0.00 0.00 0.00 46.02 46.22 1faf n GLY 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1faf s PHE 78 N 0.00 3.14 0.00 1.61 2.19 -1.26 -5.36 117.98 118.30 1faf s PHE 78 Ca 0.00 0.62 0.00 0.00 0.33 0.00 0.00 56.93 57.88 1faf s PHE 78 Cb 0.00 -3.33 0.00 0.00 -1.31 0.00 0.00 43.02 38.38 1faf s PHE 78 CO 0.00 -0.68 0.00 0.94 1.83 0.00 0.00 175.22 177.31