#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 0.00 -3.45 6.12 8.00 -1.26 -5.03 116.55 120.93 1faf n ASP 2 Ca 0.00 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.22 1faf n ASP 2 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 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 -0.93 0.87 -0.08 -1.24 3.52 -1.26 -5.09 118.95 114.74 1faf s ARG 3 Ca 0.00 -1.89 -0.01 0.00 -0.13 0.00 0.00 55.73 53.69 1faf s ARG 3 Cb 0.00 -1.51 0.03 0.00 -1.56 0.00 0.00 34.95 31.91 1faf s ARG 3 CO 0.00 -1.31 -0.01 0.14 -0.81 0.00 0.00 175.30 173.30 1faf s VAL 4 N 0.35 0.52 0.11 7.11 -7.23 -1.26 -4.84 120.40 115.16 1faf s VAL 4 Ca 0.27 0.03 -0.15 0.00 -1.81 0.00 0.00 61.98 60.31 1faf s VAL 4 Cb -0.07 -0.65 -0.07 0.00 0.56 0.00 0.00 36.38 36.16 1faf s VAL 4 CO -0.12 0.28 0.54 -1.48 -0.31 0.00 0.00 175.10 174.01 1faf s LEU 5 N 1.92 4.40 0.00 1.32 2.34 -1.26 -5.09 118.68 122.30 1faf s LEU 5 Ca 0.05 1.10 -0.08 0.00 0.06 0.00 0.00 54.13 55.27 1faf s LEU 5 Cb -0.12 -3.11 0.14 0.00 -0.56 0.00 0.00 46.19 42.55 1faf s LEU 5 CO -0.06 0.17 0.90 -1.54 -1.06 0.00 0.00 176.35 174.75 1faf n SER 6 N 1.12 0.43 -0.16 1.48 3.41 -1.26 -4.76 113.62 113.88 1faf n SER 6 Ca -0.07 -1.54 0.12 0.00 -0.26 0.00 0.00 58.87 57.11 1faf n SER 6 Cb 0.52 -0.65 0.45 0.00 -0.26 0.00 0.00 64.21 64.26 1faf n SER 6 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1faf h ARG 7 N 0.00 0.52 -0.39 4.33 0.11 -1.99 -0.24 114.38 116.72 1faf h ARG 7 Ca -0.29 -0.03 -0.10 0.00 0.10 0.00 0.00 59.98 59.66 1faf h ARG 7 Cb 0.89 -0.12 -0.02 0.00 1.11 0.00 0.00 29.97 31.84 1faf h ARG 7 CO 0.24 0.35 -0.17 0.00 0.10 0.00 0.00 179.97 180.48 1faf h ALA 8 N 1.64 0.97 0.43 0.08 0.00 -1.97 -0.48 119.26 119.93 1faf h ALA 8 Ca 0.34 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1faf h ALA 8 Cb 0.60 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1faf h ALA 8 CO -0.12 0.60 -0.21 -0.44 0.00 0.00 0.00 179.25 179.09 1faf h ASP 9 N 0.65 -0.49 -0.95 0.00 5.19 -1.41 0.23 116.42 119.64 1faf h ASP 9 Ca 0.10 -0.09 0.05 0.00 -0.62 0.00 0.00 57.03 56.46 1faf h ASP 9 Cb 0.66 0.13 -0.06 0.00 0.18 0.00 0.00 39.33 40.24 1faf h ASP 9 CO 0.05 -0.08 0.62 0.07 -3.12 0.00 0.00 179.24 176.78 1faf h LYS 10 N -1.01 1.13 -0.34 3.56 2.10 -1.39 0.33 116.57 120.95 1faf h LYS 10 Ca -0.06 -0.07 -0.10 0.00 -2.00 0.00 0.00 60.65 58.42 1faf h LYS 10 Cb 0.56 -0.25 -0.01 0.00 -0.90 0.00 0.00 32.23 31.62 1faf h LYS 10 CO 0.10 0.75 -0.21 0.93 -2.00 0.00 0.00 179.45 179.02 1faf h GLU 11 N 1.16 0.65 -0.19 0.07 4.39 -1.09 -2.14 114.58 117.44 1faf h GLU 11 Ca 0.39 -0.24 -0.10 0.00 0.34 0.00 0.00 59.36 59.74 1faf h GLU 11 Cb 0.06 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1faf h GLU 11 CO -0.13 0.81 -0.33 -0.09 -1.16 0.00 0.00 179.01 178.12 1faf h ARG 12 N 0.58 0.38 -0.33 2.33 2.43 0.13 -2.38 114.38 117.52 1faf h ARG 12 Ca 0.09 -0.16 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 1faf h ARG 12 Cb 0.67 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 1faf h ARG 12 CO 0.05 0.67 -0.06 1.25 -1.51 0.00 0.00 179.97 180.36 1faf h LEU 13 N 0.33 0.51 -0.60 3.80 5.85 0.10 -2.63 115.31 122.67 1faf h LEU 13 Ca 0.04 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.57 1faf h LEU 13 Cb 0.74 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1faf h LEU 13 CO 0.06 0.63 0.10 -0.07 -0.34 0.00 0.00 178.44 178.81 1faf h LEU 14 N 0.51 0.96 -0.67 2.25 3.38 -0.88 0.52 115.31 121.37 1faf h LEU 14 Ca 0.10 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.85 1faf h LEU 14 Cb 0.42 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 1faf h LEU 14 CO 0.02 0.98 0.40 -0.33 0.09 0.00 0.00 178.44 179.60 1faf h GLU 15 N 0.91 0.74 0.00 1.13 4.39 -1.22 -0.07 114.58 120.45 1faf h GLU 15 Ca 0.18 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1faf h GLU 15 Cb 0.42 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1faf h GLU 15 CO 0.01 0.49 -0.01 1.28 -1.16 0.00 0.00 179.01 179.62 1faf n LEU 16 N -4.73 0.66 -0.04 1.33 4.32 -1.10 -3.16 117.00 114.28 1faf n LEU 16 Ca 0.08 0.56 0.12 0.00 -0.02 0.00 0.00 56.01 56.74 1faf n LEU 16 Cb 0.12 -0.35 0.26 0.00 -1.62 0.00 0.00 43.42 41.84 1faf n LEU 16 CO 0.31 -0.14 0.48 0.18 -1.22 0.00 0.00 177.39 177.00 1faf n LEU 17 N -2.12 0.60 -1.34 2.23 7.99 0.16 -4.79 117.00 119.72 1faf n LEU 17 Ca 0.06 -0.05 -0.15 0.00 -0.01 0.00 0.00 56.01 55.85 1faf n LEU 17 Cb 0.41 -0.22 -0.06 0.00 -0.11 0.00 0.00 43.42 43.44 1faf n LEU 17 CO 0.30 0.14 -0.14 0.29 -1.51 0.00 0.00 177.39 176.46 1faf n LYS 18 N -1.36 -1.42 -3.84 3.23 4.01 -0.38 -4.57 118.16 113.84 1faf n LYS 18 Ca 0.07 0.92 -0.36 0.00 -0.51 0.00 0.00 58.31 58.43 1faf n LYS 18 Cb 0.34 -5.21 -0.13 0.00 -0.51 0.00 0.00 35.03 29.52 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 -3.80 4.00 1.04 -0.35 0.20 -1.16 -5.08 118.68 113.52 1faf s LEU 19 Ca 0.00 -1.14 -0.20 0.00 0.69 0.00 0.00 54.13 53.48 1faf s LEU 19 Cb 0.00 -1.78 -0.03 0.00 -0.43 0.00 0.00 46.19 43.95 1faf s LEU 19 CO 0.00 -0.27 -0.49 -2.65 -0.29 0.00 0.00 176.35 172.65 1faf n PRO 20 N 4.72 -0.71 0.00 0.98 -0.02 -1.26 -4.71 135.00 134.00 1faf n PRO 20 Ca -0.13 -0.19 0.13 0.00 -2.02 0.00 0.00 63.50 61.29 1faf n PRO 20 Cb 0.45 -1.43 0.44 0.00 -0.02 0.00 0.00 33.50 32.93 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 -0.07 1.18 0.08 -0.52 1.85 -1.26 -3.92 116.66 113.99 1faf n ARG 21 Ca 0.01 -0.69 -0.04 0.00 -1.00 0.00 0.00 57.85 56.13 1faf n ARG 21 Cb 0.64 -1.49 -0.08 0.00 -1.05 0.00 0.00 32.46 30.49 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 1.68 0.00 -0.54 2.89 -0.00 -2.05 -3.25 115.11 113.84 1faf h GLN 22 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1faf h GLN 22 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.99 1faf h GLN 22 CO 0.00 0.80 0.00 1.47 0.00 0.00 0.00 178.83 181.10 1faf n LEU 23 N -3.28 3.70 -4.54 -2.39 -0.00 -1.25 -4.95 117.00 104.29 1faf n LEU 23 Ca -0.01 -2.14 -0.29 0.00 -0.00 0.00 0.00 56.01 53.57 1faf n LEU 23 Cb 0.88 -0.41 -0.07 0.00 -0.00 0.00 0.00 43.42 43.82 1faf n LEU 23 CO 0.45 0.84 1.84 1.87 -0.00 0.00 0.00 177.39 182.38 1faf n TRP 24 N 0.98 1.13 0.00 1.47 -0.00 -1.23 -2.61 117.44 117.17 1faf n TRP 24 Ca 0.20 0.11 0.00 0.00 -0.00 0.00 0.00 57.50 57.80 1faf n TRP 24 Cb 0.61 -2.44 0.00 0.00 -0.00 0.00 0.00 31.31 29.49 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 6.26 0.40 3.56 5.87 0.00 -1.26 -5.09 105.19 114.93 1faf n GLY 25 Ca 0.46 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.08 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 6.18 0.32 1.61 -1.08 -1.07 -4.86 116.67 117.76 1faf s ASP 26 Ca 0.00 -0.85 0.09 0.00 -0.52 0.00 0.00 52.55 51.26 1faf s ASP 26 Cb 0.00 -2.56 0.84 0.00 -1.46 0.00 0.00 42.92 39.74 1faf s ASP 26 CO 0.00 -1.80 1.75 0.15 0.52 0.00 0.00 175.17 175.79 1faf h PHE 27 N 10.36 1.02 -0.23 -5.34 3.57 -1.98 0.85 116.94 125.19 1faf h PHE 27 Ca -0.04 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1faf h PHE 27 Cb 1.04 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1faf h PHE 27 CO 1.20 0.13 0.03 0.78 -2.23 0.00 0.00 178.31 178.22 1faf h GLY 28 N 0.64 0.34 0.39 2.40 0.00 -2.00 -1.91 103.07 102.94 1faf h GLY 28 Ca 0.62 -0.17 -0.16 0.00 0.00 0.00 0.00 47.33 47.63 1faf h GLY 28 CO -0.44 0.16 -0.76 3.21 0.00 0.00 0.00 176.54 178.71 1faf h ARG 29 N 0.32 0.17 -0.42 4.80 3.08 -1.28 -2.97 114.38 118.09 1faf h ARG 29 Ca 0.08 -0.29 0.03 0.00 0.07 0.00 0.00 59.98 59.86 1faf h ARG 29 Cb 0.16 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 1faf h ARG 29 CO -0.00 1.14 0.22 0.00 -1.07 0.00 0.00 179.97 180.26 1faf h MET 30 N -0.60 0.42 -0.54 0.04 -0.00 -1.26 0.11 114.93 113.09 1faf h MET 30 Ca -0.16 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.70 59.50 1faf h MET 30 Cb 1.45 -0.10 -0.03 0.00 -0.00 0.00 0.00 31.60 32.93 1faf h MET 30 CO 0.05 0.28 0.28 0.37 -0.00 0.00 0.00 176.91 177.89 1faf h GLN 31 N 0.43 0.77 -0.34 -0.10 4.15 -1.50 0.51 115.11 119.03 1faf h GLN 31 Ca 0.18 -0.10 0.02 0.00 0.77 0.00 0.00 58.65 59.51 1faf h GLN 31 Cb 0.07 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 1faf h GLN 31 CO -0.12 0.61 0.23 1.96 -1.93 0.00 0.00 178.83 179.58 1faf h GLN 32 N 0.73 0.39 0.14 1.69 4.20 -1.24 -1.27 115.11 119.74 1faf h GLN 32 Ca 0.19 -0.02 -0.23 0.00 0.06 0.00 0.00 58.65 58.64 1faf h GLN 32 Cb 0.08 -0.09 0.03 0.00 0.30 0.00 0.00 27.48 27.80 1faf h GLN 32 CO -0.03 0.26 -0.99 0.00 -0.67 0.00 0.00 178.83 177.40 1faf h ALA 33 N 1.80 -0.07 -0.49 3.87 0.00 -0.08 -1.88 119.26 122.42 1faf h ALA 33 Ca 0.13 -0.72 0.09 0.00 0.00 0.00 0.00 54.91 54.41 1faf h ALA 33 Cb 0.05 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 1faf h ALA 33 CO -0.03 0.49 0.08 -0.92 0.00 0.00 0.00 179.25 178.87 1faf h TYR 34 N -0.11 0.12 -0.15 0.00 5.03 0.66 0.99 116.97 123.51 1faf h TYR 34 Ca -0.16 0.03 -0.19 0.00 2.58 0.00 0.00 58.73 60.99 1faf h TYR 34 Cb 1.74 0.02 -0.00 0.00 1.55 0.00 0.00 36.73 40.05 1faf h TYR 34 CO 0.16 -0.03 -0.68 -0.22 -1.32 0.00 0.00 178.16 176.08 1faf h LYS 35 N 0.21 0.61 -0.64 1.82 3.64 -1.35 -0.16 116.57 120.70 1faf h LYS 35 Ca 0.25 -0.46 0.04 0.00 -1.27 0.00 0.00 60.65 59.22 1faf h LYS 35 Cb 0.34 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 1faf h LYS 35 CO -0.34 1.08 0.42 1.96 -2.27 0.00 0.00 179.45 180.30 1faf h GLN 36 N 0.44 0.69 0.00 1.90 4.20 -0.42 -1.24 115.11 120.68 1faf h GLN 36 Ca -0.02 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 1faf h GLN 36 Cb 1.26 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.88 1faf h GLN 36 CO 0.13 0.46 -1.08 1.04 -0.67 0.00 0.00 178.83 178.71 1faf n GLN 37 N -4.47 0.61 0.19 1.46 1.13 0.25 -3.86 117.38 112.68 1faf n GLN 37 Ca 0.08 0.14 0.04 0.00 -1.94 0.00 0.00 57.00 55.32 1faf n GLN 37 Cb 0.17 -1.82 0.36 0.00 0.11 0.00 0.00 30.24 29.06 1faf n GLN 37 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 1faf h SER 38 N 0.00 0.00 0.53 1.08 0.02 0.13 -1.46 113.55 113.85 1faf h SER 38 Ca -0.03 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.76 1faf h SER 38 Cb 1.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 1faf h SER 38 CO 0.01 0.39 -0.73 -0.07 -1.14 0.00 0.00 176.83 175.29 1faf h LEU 39 N 0.00 0.20 0.00 5.07 3.38 -1.48 -2.96 115.31 119.51 1faf h LEU 39 Ca -0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1faf h LEU 39 Cb 0.76 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1faf h LEU 39 CO 0.05 0.85 -0.61 0.17 0.09 0.00 0.00 178.44 179.00 1faf h LEU 40 N 0.11 0.00 -1.66 1.67 8.10 -1.64 -3.28 115.31 118.61 1faf h LEU 40 Ca -0.02 -0.16 0.00 0.00 0.11 0.00 0.00 57.88 57.81 1faf h LEU 40 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.50 1faf h LEU 40 CO 0.11 0.08 0.00 0.18 -4.11 0.00 0.00 178.44 174.70 1faf n LEU 41 N -2.25 2.51 -4.71 0.17 4.77 -0.57 -4.63 117.00 112.28 1faf n LEU 41 Ca 0.03 -1.00 -0.42 0.00 -0.03 0.00 0.00 56.01 54.59 1faf n LEU 41 Cb 0.46 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 1faf n LEU 41 CO 0.36 0.50 0.79 -2.28 -1.33 0.00 0.00 177.39 175.43 1faf s HIS 42 N -1.76 3.54 0.37 -1.77 2.46 -1.13 -4.41 115.29 112.59 1faf s HIS 42 Ca 0.34 1.49 0.20 0.00 0.47 0.00 0.00 55.06 57.56 1faf s HIS 42 Cb 0.20 -3.28 1.21 0.00 -0.13 0.00 0.00 32.58 30.58 1faf s HIS 42 CO 0.30 -0.68 1.65 -1.35 -2.47 0.00 0.00 174.74 172.19 1faf h PRO 43 N 6.79 0.22 0.00 2.88 0.11 -1.82 0.50 132.00 140.68 1faf h PRO 43 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1faf h PRO 43 Cb 1.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1faf h PRO 43 CO 0.78 0.15 0.00 -0.25 -0.21 0.00 0.00 178.00 178.47 1faf n ASP 44 N -4.96 0.45 -1.96 -2.05 9.92 -1.26 -1.38 116.55 115.32 1faf n ASP 44 Ca 0.33 0.70 -0.20 0.00 -0.53 0.00 0.00 54.79 55.09 1faf n ASP 44 Cb 1.13 -0.76 0.17 0.00 -0.64 0.00 0.00 41.12 41.02 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 -2.09 2.20 -1.42 -1.24 4.76 0.17 -4.88 118.16 115.66 1faf n LYS 45 Ca -0.01 -3.11 -0.14 0.00 -2.87 0.00 0.00 58.31 52.18 1faf n LYS 45 Cb 0.05 -2.10 -0.06 0.00 -1.84 0.00 0.00 35.03 31.08 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 -1.12 1.41 4.01 0.72 0.00 -0.48 -4.95 105.19 104.78 1faf n GLY 46 Ca 0.53 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.60 1.74 0.17 -0.02 0.00 -1.24 -5.04 107.32 100.33 1faf s GLY 47 Ca 0.00 -1.91 -0.14 0.00 0.00 0.00 0.00 44.72 42.67 1faf s GLY 47 CO 0.00 -1.31 0.56 -0.56 0.00 0.00 0.00 173.10 171.80 1faf s SER 48 N -4.78 6.80 0.02 1.64 0.01 -1.26 -4.42 113.70 111.71 1faf s SER 48 Ca 0.67 1.07 -0.03 0.00 1.31 0.00 0.00 55.95 58.98 1faf s SER 48 Cb -0.04 -2.29 -0.28 0.00 0.21 0.00 0.00 66.02 63.62 1faf s SER 48 CO 0.44 0.07 0.93 -0.74 0.41 0.00 0.00 173.24 174.35 1faf h HIS 49 N 3.37 0.44 -0.20 2.43 2.76 -1.96 -3.32 115.15 118.67 1faf h HIS 49 Ca -0.48 -0.32 -0.04 0.00 -2.20 0.00 0.00 60.37 57.33 1faf h HIS 49 Cb 1.19 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.12 1faf h HIS 49 CO 0.64 1.34 -0.05 0.00 -1.30 0.00 0.00 177.93 178.57 1faf h ALA 50 N 0.54 1.55 0.65 5.26 0.00 -1.94 -2.75 119.26 122.56 1faf h ALA 50 Ca -0.21 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1faf h ALA 50 Cb 2.00 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.70 1faf h ALA 50 CO 0.17 0.33 -0.32 -0.07 0.00 0.00 0.00 179.25 179.36 1faf h LEU 51 N 0.30 -0.76 -1.85 0.00 4.07 -1.92 -2.47 115.31 112.68 1faf h LEU 51 Ca 0.07 0.03 0.09 0.00 0.08 0.00 0.00 57.88 58.15 1faf h LEU 51 Cb 0.28 0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.20 1faf h LEU 51 CO 0.01 -0.54 0.30 0.24 -1.08 0.00 0.00 178.44 177.38 1faf h MET 52 N -0.88 0.17 0.00 1.13 2.86 -1.65 0.70 114.93 117.26 1faf h MET 52 Ca -0.09 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 1faf h MET 52 Cb 0.68 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 1faf h MET 52 CO 0.14 0.11 -0.20 1.96 1.06 0.00 0.00 176.91 179.99 1faf h GLN 53 N 0.18 0.00 0.05 1.72 1.08 -1.16 -2.62 115.11 114.36 1faf h GLN 53 Ca 0.20 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.20 1faf h GLN 53 Cb 0.57 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.02 1faf h GLN 53 CO -0.03 0.20 -0.82 1.49 -0.95 0.00 0.00 178.83 178.71 1faf h GLU 54 N 0.00 0.46 -0.50 1.46 4.81 -0.54 -3.21 114.58 117.07 1faf h GLU 54 Ca -0.00 -0.57 0.06 0.00 -0.13 0.00 0.00 59.36 58.72 1faf h GLU 54 Cb 0.36 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.87 1faf h GLU 54 CO 0.03 1.21 0.19 1.25 -0.73 0.00 0.00 179.01 180.96 1faf h LEU 55 N -0.03 0.22 -1.89 1.64 5.85 -1.22 0.12 115.31 120.00 1faf h LEU 55 Ca -0.12 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1faf h LEU 55 Cb 1.55 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 1faf h LEU 55 CO 0.16 0.15 0.12 0.78 -0.34 0.00 0.00 178.44 179.31 1faf h ASN 56 N 0.38 0.12 0.04 1.25 2.35 -1.57 0.25 115.58 118.41 1faf h ASN 56 Ca 0.24 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1faf h ASN 56 Cb 0.23 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1faf h ASN 56 CO -0.23 0.09 -0.02 0.28 -1.65 0.00 0.00 177.43 175.90 1faf h SER 57 N 0.14 -0.05 0.14 5.81 0.02 -1.09 0.19 113.55 118.71 1faf h SER 57 Ca 0.07 -0.59 -0.02 0.00 -0.84 0.00 0.00 61.79 60.42 1faf h SER 57 Cb 0.12 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 1faf h SER 57 CO -0.01 0.69 -0.10 -0.07 -1.14 0.00 0.00 176.83 176.20 1faf h LEU 58 N -0.93 0.00 0.00 5.07 3.38 -0.59 -1.40 115.31 120.84 1faf h LEU 58 Ca -0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1faf h LEU 58 Cb 0.63 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1faf h LEU 58 CO 0.01 0.10 -1.33 1.87 0.09 0.00 0.00 178.44 179.18 1faf n TRP 59 N -4.18 0.99 0.11 1.13 -0.00 0.84 -3.33 117.44 113.00 1faf n TRP 59 Ca -0.03 0.32 -0.05 0.00 -0.00 0.00 0.00 57.50 57.75 1faf n TRP 59 Cb 0.18 -1.06 -0.02 0.00 -0.00 0.00 0.00 31.31 30.40 1faf n TRP 59 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1faf h GLY 60 N 3.77 -0.31 0.05 5.87 0.00 0.41 0.19 103.07 113.05 1faf h GLY 60 Ca -0.13 0.12 0.09 0.00 0.00 0.00 0.00 47.33 47.41 1faf h GLY 60 CO 0.04 -0.11 -0.13 0.00 0.00 0.00 0.00 176.54 176.34 1faf h THR 61 N -0.50 0.52 -0.68 4.70 1.03 -1.54 0.29 112.91 116.73 1faf h THR 61 Ca -0.03 0.00 0.13 0.00 -0.01 0.00 0.00 66.41 66.50 1faf h THR 61 Cb 0.23 0.52 -0.13 0.00 -1.07 0.00 0.00 68.15 67.70 1faf h THR 61 CO 0.05 0.00 -0.23 0.15 -0.01 0.00 0.00 175.52 175.48 1faf h PHE 62 N -0.01 -0.56 -0.95 0.00 3.57 -1.62 0.43 116.94 117.79 1faf h PHE 62 Ca 0.22 0.07 0.10 0.00 3.53 0.00 0.00 57.97 61.89 1faf h PHE 62 Cb 0.35 0.35 -0.07 0.00 2.79 0.00 0.00 35.95 39.37 1faf h PHE 62 CO -0.41 -0.33 0.61 -0.22 -2.23 0.00 0.00 178.31 175.73 1faf h LYS 63 N -0.05 0.95 -1.04 1.11 3.64 0.27 0.05 116.57 121.51 1faf h LYS 63 Ca 0.31 -0.06 0.28 0.00 -1.27 0.00 0.00 60.65 59.91 1faf h LYS 63 Cb 0.53 -0.22 -0.12 0.00 -0.41 0.00 0.00 32.23 32.02 1faf h LYS 63 CO -0.72 0.63 0.63 1.15 -2.27 0.00 0.00 179.45 178.87 1faf h THR 64 N 0.98 0.45 0.03 1.00 2.02 0.14 0.75 112.91 118.29 1faf h THR 64 Ca 0.44 -0.15 -0.27 0.00 0.77 0.00 0.00 66.41 67.20 1faf h THR 64 Cb 0.38 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 1faf h THR 64 CO -0.20 0.08 -1.46 -0.33 0.37 0.00 0.00 175.52 173.98 1faf h GLU 65 N 0.44 0.06 -0.66 6.66 4.39 -1.07 -3.35 114.58 121.05 1faf h GLU 65 Ca 0.66 -0.10 0.11 0.00 0.34 0.00 0.00 59.36 60.37 1faf h GLU 65 Cb 1.51 0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 30.11 1faf h GLU 65 CO -0.45 0.81 0.23 0.28 -1.16 0.00 0.00 179.01 178.72 1faf h VAL 66 N 0.02 0.71 -0.05 3.13 2.07 0.23 0.84 116.25 123.19 1faf h VAL 66 Ca -0.19 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.20 1faf h VAL 66 Cb 1.94 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1faf h VAL 66 CO 0.11 0.07 0.04 0.22 0.02 0.00 0.00 177.57 178.03 1faf h TYR 67 N 0.40 0.01 0.00 1.57 5.03 -1.25 -1.65 116.97 121.07 1faf h TYR 67 Ca 0.34 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.55 1faf h TYR 67 Cb 0.47 -0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.73 1faf h TYR 67 CO -0.18 0.01 -1.32 0.09 -1.32 0.00 0.00 178.16 175.43 1faf n ASN 68 N -4.53 0.79 0.03 -2.11 3.02 0.68 -4.08 115.26 109.07 1faf n ASN 68 Ca -0.02 0.33 0.05 0.00 -0.03 0.00 0.00 54.58 54.91 1faf n ASN 68 Cb 0.13 0.38 0.46 0.00 -0.61 0.00 0.00 39.78 40.14 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 0.40 0.00 3.41 8.10 0.15 0.31 115.31 127.69 1faf h LEU 69 Ca -0.11 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.87 1faf h LEU 69 Cb 1.36 -0.10 0.00 0.00 -0.44 0.00 0.00 40.66 41.48 1faf h LEU 69 CO 0.03 0.29 0.00 0.54 -4.11 0.00 0.00 178.44 175.18 1faf n ARG 70 N -4.48 0.81 -0.00 0.17 1.74 -1.19 -3.49 116.66 110.21 1faf n ARG 70 Ca 0.03 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1faf n ARG 70 Cb 0.08 -1.44 -0.00 0.00 -1.02 0.00 0.00 32.46 30.07 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 -0.94 0.01 -2.15 5.56 2.81 0.03 -5.02 117.12 117.42 1faf n MET 71 Ca 0.17 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.64 1faf n MET 71 Cb 0.08 -0.88 -0.03 0.00 -0.71 0.00 0.00 33.22 31.68 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 -4.30 6.80 -0.42 7.83 0.01 0.89 -4.98 114.94 120.77 1faf s ASN 72 Ca -0.01 2.29 0.02 0.00 -0.71 0.00 0.00 52.86 54.45 1faf s ASN 72 Cb 0.00 -2.58 0.15 0.00 0.41 0.00 0.00 41.25 39.24 1faf s ASN 72 CO 0.01 -0.70 0.29 -0.76 -1.51 0.00 0.00 177.10 174.42 1faf s LEU 73 N 1.67 1.87 0.24 0.60 1.43 -1.26 -4.86 118.68 118.37 1faf s LEU 73 Ca 0.66 -2.74 0.00 0.00 -1.03 0.00 0.00 54.13 51.01 1faf s LEU 73 Cb -0.36 -0.67 0.00 0.00 0.03 0.00 0.00 46.19 45.19 1faf s LEU 73 CO 0.29 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.25 1faf n GLY 74 N 3.33 -2.96 0.00 -3.19 0.00 -1.26 -5.09 105.19 96.01 1faf n GLY 74 Ca 0.18 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.81 -1.10 3.76 -0.02 0.00 -1.26 -5.13 105.19 98.64 1faf n GLY 75 Ca -0.03 0.45 -0.41 0.00 0.00 0.00 0.00 46.02 46.03 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 2.98 0.00 2.61 -1.32 -1.26 -4.43 115.64 114.22 1faf s THR 76 Ca 0.00 0.97 0.00 0.00 -1.21 0.00 0.00 61.69 61.45 1faf s THR 76 Cb 0.00 -3.62 0.00 0.00 -1.51 0.00 0.00 72.50 67.37 1faf s THR 76 CO 0.00 0.23 0.00 0.61 -2.21 0.00 0.00 174.62 173.25 1faf n GLY 77 N 1.04 2.18 3.09 6.08 0.00 -1.26 -5.09 105.19 111.23 1faf n GLY 77 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.51 -2.46 1.61 5.36 -1.26 -5.33 117.98 114.39 1faf s PHE 78 Ca 0.00 1.26 0.28 0.00 -0.96 0.00 0.00 56.93 57.52 1faf s PHE 78 Cb 0.00 0.34 1.12 0.00 -0.34 0.00 0.00 43.02 44.15 1faf s PHE 78 CO 0.00 -0.93 1.79 0.94 -1.46 0.00 0.00 175.22 175.56