#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 2.66 -4.39 6.12 -0.08 -1.26 -4.89 116.55 114.71 1faf n ASP 2 Ca 0.00 1.05 -0.45 0.00 -1.51 0.00 0.00 54.79 53.88 1faf n ASP 2 Cb 0.00 -1.24 -0.02 0.00 2.34 0.00 0.00 41.12 42.20 1faf n ASP 2 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1faf s ARG 3 N 3.10 3.60 -0.07 -0.67 3.00 -1.26 -4.99 118.95 121.65 1faf s ARG 3 Ca 0.93 -2.09 0.01 0.00 0.00 0.00 0.00 55.73 54.58 1faf s ARG 3 Cb -0.91 -4.68 0.02 0.00 0.00 0.00 0.00 34.95 29.37 1faf s ARG 3 CO 0.57 -1.54 -0.10 0.14 0.00 0.00 0.00 175.30 174.37 1faf s VAL 4 N 1.48 1.01 0.18 3.52 -7.23 -1.26 -4.78 120.40 113.32 1faf s VAL 4 Ca 0.26 -0.37 -0.19 0.00 -1.81 0.00 0.00 61.98 59.86 1faf s VAL 4 Cb -0.07 -0.96 -0.08 0.00 0.56 0.00 0.00 36.38 35.83 1faf s VAL 4 CO -0.09 0.34 0.66 -1.48 -0.31 0.00 0.00 175.10 174.22 1faf s LEU 5 N 0.95 4.39 0.00 1.32 2.34 -1.26 -5.09 118.68 121.33 1faf s LEU 5 Ca -0.09 1.33 -0.04 0.00 0.06 0.00 0.00 54.13 55.38 1faf s LEU 5 Cb -0.15 -3.38 0.08 0.00 -0.56 0.00 0.00 46.19 42.18 1faf s LEU 5 CO 0.00 0.10 0.50 -1.54 -1.06 0.00 0.00 176.35 174.35 1faf n SER 6 N 0.96 0.27 -0.30 1.48 3.41 -1.26 -4.78 113.62 113.40 1faf n SER 6 Ca -0.05 -1.32 0.04 0.00 -0.26 0.00 0.00 58.87 57.28 1faf n SER 6 Cb 0.51 -0.36 0.24 0.00 -0.26 0.00 0.00 64.21 64.34 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 1.00 -0.75 4.33 3.08 -1.99 -1.56 114.38 118.49 1faf h ARG 7 Ca -0.16 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.79 1faf h ARG 7 Cb 0.50 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 1faf h ARG 7 CO 0.14 0.66 0.31 0.00 -1.07 0.00 0.00 179.97 180.01 1faf h ALA 8 N 1.51 0.97 0.70 0.04 0.00 -1.97 0.14 119.26 120.66 1faf h ALA 8 Ca 0.38 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1faf h ALA 8 Cb 0.18 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1faf h ALA 8 CO -0.14 0.58 -0.34 -0.44 0.00 0.00 0.00 179.25 178.91 1faf h ASP 9 N 1.08 -0.80 -0.85 0.00 5.19 -1.66 0.63 116.42 120.00 1faf h ASP 9 Ca 0.25 0.01 0.06 0.00 -0.62 0.00 0.00 57.03 56.73 1faf h ASP 9 Cb 0.19 0.21 -0.05 0.00 0.18 0.00 0.00 39.33 39.85 1faf h ASP 9 CO -0.02 -0.44 0.55 0.07 -3.12 0.00 0.00 179.24 176.28 1faf h LYS 10 N -1.19 0.92 -0.57 3.56 5.09 -1.36 0.49 116.57 123.52 1faf h LYS 10 Ca -0.10 -0.06 -0.07 0.00 0.09 0.00 0.00 60.65 60.52 1faf h LYS 10 Cb 0.75 -0.21 -0.02 0.00 0.10 0.00 0.00 32.23 32.85 1faf h LYS 10 CO 0.16 0.61 0.07 1.49 -2.09 0.00 0.00 179.45 179.68 1faf h GLU 11 N 0.94 0.92 -0.02 0.07 4.81 -0.65 -1.60 114.58 119.06 1faf h GLU 11 Ca 0.37 -0.24 -0.20 0.00 -0.13 0.00 0.00 59.36 59.16 1faf h GLU 11 Cb 0.22 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1faf h GLU 11 CO -0.13 0.87 -0.84 -0.09 -0.73 0.00 0.00 179.01 178.09 1faf h ARG 12 N 0.87 0.30 -0.41 1.92 9.65 0.72 -2.83 114.38 124.59 1faf h ARG 12 Ca 0.17 -0.29 -0.04 0.00 -1.10 0.00 0.00 59.98 58.72 1faf h ARG 12 Cb 0.42 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.05 1faf h ARG 12 CO 0.01 0.98 0.10 1.25 2.80 0.00 0.00 179.97 185.12 1faf h LEU 13 N 0.18 0.56 -0.23 3.80 5.85 0.29 -2.58 115.31 123.17 1faf h LEU 13 Ca -0.05 -0.08 -0.16 0.00 0.84 0.00 0.00 57.88 58.43 1faf h LEU 13 Cb 1.45 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1faf h LEU 13 CO 0.14 0.56 -0.50 -0.07 -0.34 0.00 0.00 178.44 178.23 1faf h LEU 14 N 0.59 0.83 -2.06 2.25 3.38 -1.23 -2.06 115.31 117.02 1faf h LEU 14 Ca 0.14 -0.55 0.08 0.00 0.09 0.00 0.00 57.88 57.63 1faf h LEU 14 Cb 0.22 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1faf h LEU 14 CO -0.00 1.23 0.21 -0.33 0.09 0.00 0.00 178.44 179.64 1faf h GLU 15 N 0.47 0.00 0.00 1.13 5.08 -1.22 0.20 114.58 120.24 1faf h GLU 15 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1faf h GLU 15 Cb 1.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1faf h GLU 15 CO 0.11 0.00 -1.26 -0.07 -1.00 0.00 0.00 179.01 176.79 1faf h LEU 16 N 0.00 0.00 -0.54 1.33 3.38 -1.38 -3.32 115.31 114.77 1faf h LEU 16 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1faf h LEU 16 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1faf h LEU 16 CO -0.00 0.43 -0.09 0.18 0.09 0.00 0.00 178.44 179.05 1faf n LEU 17 N -2.86 0.94 -1.41 1.67 4.32 -0.09 -4.83 117.00 114.74 1faf n LEU 17 Ca -0.07 -0.25 -0.15 0.00 -0.02 0.00 0.00 56.01 55.52 1faf n LEU 17 Cb 0.76 -0.08 -0.06 0.00 -1.62 0.00 0.00 43.42 42.42 1faf n LEU 17 CO 0.42 0.16 -0.14 0.29 -1.22 0.00 0.00 177.39 176.90 1faf n LYS 18 N -0.46 -1.35 -3.76 3.23 4.01 -0.37 -4.62 118.16 114.84 1faf n LYS 18 Ca 0.17 0.88 -0.38 0.00 -0.51 0.00 0.00 58.31 58.47 1faf n LYS 18 Cb 0.30 -5.16 -0.12 0.00 -0.51 0.00 0.00 35.03 29.54 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 -3.92 4.35 1.06 -0.35 0.20 -1.16 -5.07 118.68 113.78 1faf s LEU 19 Ca 0.00 -1.19 -0.22 0.00 0.69 0.00 0.00 54.13 53.41 1faf s LEU 19 Cb 0.00 -1.86 -0.03 0.00 -0.43 0.00 0.00 46.19 43.87 1faf s LEU 19 CO 0.00 -0.34 -0.67 -2.65 -0.29 0.00 0.00 176.35 172.40 1faf n PRO 20 N 4.80 -0.85 0.01 0.98 -0.02 -1.26 -4.69 135.00 133.96 1faf n PRO 20 Ca -0.12 -0.24 0.12 0.00 -2.02 0.00 0.00 63.50 61.24 1faf n PRO 20 Cb 0.44 -1.39 0.23 0.00 -0.02 0.00 0.00 33.50 32.77 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 0.00 0.04 0.09 -0.52 1.74 -1.26 -3.97 116.66 112.78 1faf n ARG 21 Ca -0.00 0.01 -0.04 0.00 -0.77 0.00 0.00 57.85 57.05 1faf n ARG 21 Cb 0.68 -1.52 0.16 0.00 -1.02 0.00 0.00 32.46 30.76 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 0.00 0.23 -0.67 5.56 -0.00 -2.05 -2.95 115.11 115.22 1faf h GLN 22 Ca 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 58.65 58.51 1faf h GLN 22 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.02 1faf h GLN 22 CO 0.00 0.70 0.00 1.47 0.00 0.00 0.00 178.83 181.00 1faf n LEU 23 N -3.93 3.80 -4.45 -2.39 -0.00 -1.26 -4.97 117.00 103.80 1faf n LEU 23 Ca -0.02 -2.00 -0.49 0.00 -0.00 0.00 0.00 56.01 53.50 1faf n LEU 23 Cb 0.56 -0.45 -0.07 0.00 -0.00 0.00 0.00 43.42 43.46 1faf n LEU 23 CO 0.43 0.95 1.86 1.87 -0.00 0.00 0.00 177.39 182.50 1faf n TRP 24 N 1.47 1.48 0.00 1.47 -0.00 -1.12 -2.44 117.44 118.30 1faf n TRP 24 Ca 0.22 0.29 0.00 0.00 -0.00 0.00 0.00 57.50 58.01 1faf n TRP 24 Cb 0.59 -2.52 0.00 0.00 -0.00 0.00 0.00 31.31 29.38 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 6.53 1.03 3.56 5.87 0.00 -1.26 -5.08 105.19 115.83 1faf n GLY 25 Ca 0.43 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.06 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 6.17 0.29 1.61 2.15 -1.02 -4.85 116.67 121.01 1faf s ASP 26 Ca 0.00 -0.99 0.03 0.00 0.43 0.00 0.00 52.55 52.02 1faf s ASP 26 Cb 0.00 -2.56 0.65 0.00 -0.30 0.00 0.00 42.92 40.71 1faf s ASP 26 CO 0.00 -1.80 1.77 0.15 -0.17 0.00 0.00 175.17 175.12 1faf h PHE 27 N 10.35 0.96 -0.48 -5.34 3.57 -1.98 0.66 116.94 124.67 1faf h PHE 27 Ca 0.04 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.48 1faf h PHE 27 Cb 1.03 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 1faf h PHE 27 CO 1.22 0.23 -0.05 0.78 -2.23 0.00 0.00 178.31 178.26 1faf h GLY 28 N 0.73 0.91 1.46 2.40 0.00 -1.99 -1.34 103.07 105.23 1faf h GLY 28 Ca 0.53 -0.66 -0.28 0.00 0.00 0.00 0.00 47.33 46.92 1faf h GLY 28 CO -0.37 0.61 -1.22 3.21 0.00 0.00 0.00 176.54 178.76 1faf h ARG 29 N 0.77 0.43 -0.19 4.80 2.47 -1.66 -2.90 114.38 118.10 1faf h ARG 29 Ca 0.14 -0.63 -0.06 0.00 -1.26 0.00 0.00 59.98 58.17 1faf h ARG 29 Cb 0.54 0.22 -0.00 0.00 -1.65 0.00 0.00 29.97 29.07 1faf h ARG 29 CO 0.03 1.27 -0.10 0.00 0.56 0.00 0.00 179.97 181.73 1faf h MET 30 N 0.17 0.40 -0.69 0.04 -0.00 -0.89 -2.21 114.93 111.75 1faf h MET 30 Ca -0.16 -0.18 -0.01 0.00 -0.00 0.00 0.00 59.70 59.35 1faf h MET 30 Cb 1.91 -0.01 -0.03 0.00 -0.00 0.00 0.00 31.60 33.47 1faf h MET 30 CO 0.22 0.71 0.40 0.37 -0.00 0.00 0.00 176.91 178.60 1faf h GLN 31 N 0.08 0.95 -0.31 -0.10 4.15 -1.36 0.48 115.11 119.01 1faf h GLN 31 Ca 0.04 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 1faf h GLN 31 Cb 0.60 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 1faf h GLN 31 CO 0.03 0.68 0.16 0.37 -1.93 0.00 0.00 178.83 178.14 1faf h GLN 32 N 0.96 0.44 -0.04 1.69 5.75 -1.39 -0.87 115.11 121.65 1faf h GLN 32 Ca 0.25 -0.06 -0.15 0.00 -0.15 0.00 0.00 58.65 58.54 1faf h GLN 32 Cb -0.01 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.45 1faf h GLN 32 CO -0.04 0.39 -0.65 0.00 -2.65 0.00 0.00 178.83 175.88 1faf h ALA 33 N 1.02 0.83 -0.40 3.38 0.00 -0.86 -2.84 119.26 120.39 1faf h ALA 33 Ca 0.11 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1faf h ALA 33 Cb 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1faf h ALA 33 CO -0.02 0.77 0.14 -0.92 0.00 0.00 0.00 179.25 179.22 1faf h TYR 34 N 0.12 0.63 -0.55 0.00 5.03 0.28 -0.99 116.97 121.50 1faf h TYR 34 Ca -0.01 -0.06 -0.05 0.00 2.58 0.00 0.00 58.73 61.19 1faf h TYR 34 Cb 1.16 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 39.23 1faf h TYR 34 CO 0.02 0.58 0.15 -0.22 -1.32 0.00 0.00 178.16 177.37 1faf h LYS 35 N 0.50 0.87 -0.06 1.82 3.64 -1.15 0.36 116.57 122.55 1faf h LYS 35 Ca 0.13 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 1faf h LYS 35 Cb 0.24 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1faf h LYS 35 CO -0.01 0.80 -0.23 1.96 -2.27 0.00 0.00 179.45 179.70 1faf h GLN 36 N 0.77 0.11 0.00 1.90 4.20 -1.34 -1.98 115.11 118.76 1faf h GLN 36 Ca 0.17 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 1faf h GLN 36 Cb 0.31 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1faf h GLN 36 CO -0.00 0.34 -0.91 1.96 -0.67 0.00 0.00 178.83 179.54 1faf h GLN 37 N 0.10 0.00 0.00 1.46 1.08 -0.77 -3.30 115.11 113.68 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 0.47 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 1faf h GLN 37 CO 0.03 0.13 -0.82 0.77 -0.95 0.00 0.00 178.83 178.00 1faf h SER 38 N 0.00 0.06 0.11 1.46 0.02 0.19 -2.29 113.55 113.10 1faf h SER 38 Ca -0.04 -0.05 -0.17 0.00 -0.84 0.00 0.00 61.79 60.69 1faf h SER 38 Cb 1.20 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 1faf h SER 38 CO 0.02 0.85 -0.61 -0.07 -1.14 0.00 0.00 176.83 175.89 1faf h LEU 39 N 0.03 0.56 0.00 5.07 3.38 -1.47 -2.96 115.31 119.91 1faf h LEU 39 Ca -0.02 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1faf h LEU 39 Cb 1.44 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1faf h LEU 39 CO 0.11 1.04 -0.29 0.00 0.09 0.00 0.00 178.44 179.39 1faf n LEU 40 N -3.92 0.64 -0.70 1.67 -0.00 -1.21 -3.29 117.00 110.19 1faf n LEU 40 Ca -0.04 0.38 0.12 0.00 -0.00 0.00 0.00 56.01 56.48 1faf n LEU 40 Cb 0.63 -0.28 0.35 0.00 -0.00 0.00 0.00 43.42 44.12 1faf n LEU 40 CO 0.47 -0.08 0.77 0.18 -0.00 0.00 0.00 177.39 178.73 1faf n LEU 41 N -2.04 2.13 -4.75 1.47 4.77 -0.87 -4.26 117.00 113.46 1faf n LEU 41 Ca 0.05 -0.80 -0.40 0.00 -0.03 0.00 0.00 56.01 54.83 1faf n LEU 41 Cb 0.41 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.38 1faf n LEU 41 CO 0.33 0.40 0.68 -2.28 -1.33 0.00 0.00 177.39 175.19 1faf s HIS 42 N -1.87 3.90 -0.24 -1.77 2.46 -1.13 -4.05 115.29 112.59 1faf s HIS 42 Ca 0.34 1.87 0.23 0.00 0.47 0.00 0.00 55.06 57.97 1faf s HIS 42 Cb 0.20 -3.05 1.17 0.00 -0.13 0.00 0.00 32.58 30.77 1faf s HIS 42 CO 0.30 0.23 1.69 -0.35 -2.47 0.00 0.00 174.74 174.15 1faf n PRO 43 N 1.42 0.16 0.14 2.88 -0.04 -1.25 -1.15 135.00 137.17 1faf n PRO 43 Ca -0.02 0.59 0.10 0.00 -0.04 0.00 0.00 63.50 64.14 1faf n PRO 43 Cb 0.46 -1.96 0.06 0.00 -0.04 0.00 0.00 33.50 32.02 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 -0.80 3.54 5.19 -1.92 -3.29 116.42 119.14 1faf h ASP 44 Ca 0.00 0.00 -0.38 0.00 -0.62 0.00 0.00 57.03 56.03 1faf h ASP 44 Cb 0.09 0.00 -0.23 0.00 0.18 0.00 0.00 39.33 39.37 1faf h ASP 44 CO 0.00 0.08 0.41 0.29 -3.12 0.00 0.00 179.24 176.90 1faf n LYS 45 N -2.89 2.45 -2.12 3.56 4.01 -0.60 -4.87 118.16 117.69 1faf n LYS 45 Ca 0.01 -3.06 -0.06 0.00 -0.51 0.00 0.00 58.31 54.69 1faf n LYS 45 Cb 0.58 -2.10 -0.00 0.00 -0.51 0.00 0.00 35.03 32.99 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 -0.95 0.13 3.85 0.72 0.00 -1.23 -4.90 105.19 102.81 1faf n GLY 46 Ca 0.50 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.74 1.62 0.39 -0.02 0.00 -0.30 -4.99 107.32 101.29 1faf s GLY 47 Ca 0.00 -1.55 -0.04 0.00 0.00 0.00 0.00 44.72 43.14 1faf s GLY 47 CO 0.00 -1.52 0.66 -0.56 0.00 0.00 0.00 173.10 171.68 1faf s SER 48 N -3.94 6.33 -0.11 1.64 0.01 -1.26 -3.77 113.70 112.60 1faf s SER 48 Ca 0.38 0.74 -0.28 0.00 1.31 0.00 0.00 55.95 58.10 1faf s SER 48 Cb -0.07 -2.16 -0.25 0.00 0.21 0.00 0.00 66.02 63.75 1faf s SER 48 CO 0.26 -0.40 0.87 0.45 0.41 0.00 0.00 173.24 174.83 1faf h HIS 49 N 0.75 0.04 -0.81 2.43 3.86 -1.97 -2.91 115.15 116.55 1faf h HIS 49 Ca -0.48 -0.02 0.11 0.00 -1.16 0.00 0.00 60.37 58.82 1faf h HIS 49 Cb 1.21 -0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.62 1faf h HIS 49 CO 0.56 0.93 0.53 0.00 0.86 0.00 0.00 177.93 180.81 1faf h ALA 50 N 0.10 1.81 -0.05 2.45 0.00 -1.95 -0.35 119.26 121.26 1faf h ALA 50 Ca -0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1faf h ALA 50 Cb 0.95 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1faf h ALA 50 CO 0.01 0.01 -0.06 -0.07 0.00 0.00 0.00 179.25 179.14 1faf h LEU 51 N 0.70 0.14 -0.20 0.00 4.07 -1.92 -0.55 115.31 117.54 1faf h LEU 51 Ca 0.38 -0.51 0.03 0.00 0.08 0.00 0.00 57.88 57.85 1faf h LEU 51 Cb 0.53 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.21 1faf h LEU 51 CO -0.15 0.63 0.05 -0.03 -1.08 0.00 0.00 178.44 177.85 1faf h MET 52 N -0.34 0.13 -0.11 1.13 4.05 -1.19 -1.63 114.93 116.97 1faf h MET 52 Ca 0.01 -0.01 -0.11 0.00 -0.28 0.00 0.00 59.70 59.31 1faf h MET 52 Cb 0.59 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 1faf h MET 52 CO 0.02 0.08 -0.42 -0.56 0.23 0.00 0.00 176.91 176.26 1faf h GLN 53 N 0.13 0.26 -0.75 0.39 3.07 -1.14 -2.80 115.11 114.27 1faf h GLN 53 Ca 0.09 -0.13 -0.03 0.00 0.09 0.00 0.00 58.65 58.68 1faf h GLN 53 Cb 0.08 -0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.61 1faf h GLN 53 CO -0.12 0.64 0.37 0.93 0.09 0.00 0.00 178.83 180.74 1faf h GLU 54 N 0.22 1.07 0.12 0.06 5.08 -0.59 0.06 114.58 120.59 1faf h GLU 54 Ca 0.02 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1faf h GLU 54 Cb 0.84 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1faf h GLU 54 CO 0.07 0.83 -0.06 1.25 -1.00 0.00 0.00 179.01 180.10 1faf h LEU 55 N 1.05 -0.14 -1.22 1.33 5.85 -1.16 -2.01 115.31 119.00 1faf h LEU 55 Ca 0.26 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1faf h LEU 55 Cb 0.11 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1faf h LEU 55 CO -0.03 0.10 0.51 -1.13 -0.34 0.00 0.00 178.44 177.55 1faf h ASN 56 N -0.38 0.90 -0.65 1.25 -0.73 -1.37 0.21 115.58 114.82 1faf h ASN 56 Ca -0.02 -0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.09 1faf h ASN 56 Cb 0.31 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.64 1faf h ASN 56 CO 0.03 0.66 0.28 -1.28 -0.37 0.00 0.00 177.43 176.75 1faf h SER 57 N 1.06 0.89 1.44 1.15 0.87 -0.83 0.92 113.55 119.05 1faf h SER 57 Ca 0.29 -0.12 -0.08 0.00 -1.23 0.00 0.00 61.79 60.65 1faf h SER 57 Cb -0.11 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.61 1faf h SER 57 CO -0.06 0.79 -0.58 -0.07 -0.53 0.00 0.00 176.83 176.37 1faf h LEU 58 N 0.96 0.00 0.00 2.23 3.38 -0.59 -3.14 115.31 118.16 1faf h LEU 58 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1faf h LEU 58 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1faf h LEU 58 CO -0.02 0.36 -0.89 -0.25 0.09 0.00 0.00 178.44 177.72 1faf h TRP 59 N 0.00 0.00 0.14 1.13 2.91 -0.06 -3.13 115.95 116.94 1faf h TRP 59 Ca -0.03 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.99 1faf h TRP 59 Cb 1.30 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.95 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 4.18 -0.19 0.58 2.65 0.00 0.85 -1.71 103.07 109.42 1faf h GLY 60 Ca 0.00 0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.44 1faf h GLY 60 CO 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 176.54 176.40 1faf h THR 61 N -0.94 0.75 -0.80 4.70 1.03 -1.74 -0.22 112.91 115.69 1faf h THR 61 Ca -0.02 0.00 0.17 0.00 -0.01 0.00 0.00 66.41 66.55 1faf h THR 61 Cb 0.14 0.75 -0.15 0.00 -1.07 0.00 0.00 68.15 67.83 1faf h THR 61 CO 0.03 0.00 -0.13 0.15 -0.01 0.00 0.00 175.52 175.56 1faf h PHE 62 N -0.05 -0.29 -0.52 0.00 3.57 -1.68 0.98 116.94 118.95 1faf h PHE 62 Ca 0.09 0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.68 1faf h PHE 62 Cb 0.19 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 1faf h PHE 62 CO -0.23 -0.32 0.35 -0.22 -2.23 0.00 0.00 178.31 175.65 1faf h LYS 63 N 0.03 0.65 -1.06 1.11 3.64 -0.12 -1.40 116.57 119.42 1faf h LYS 63 Ca 0.41 -0.04 0.29 0.00 -1.27 0.00 0.00 60.65 60.04 1faf h LYS 63 Cb 0.67 -0.15 -0.11 0.00 -0.41 0.00 0.00 32.23 32.23 1faf h LYS 63 CO -0.79 0.43 0.66 1.15 -2.27 0.00 0.00 179.45 178.63 1faf h THR 64 N 0.67 0.44 0.06 1.00 2.02 0.23 0.88 112.91 118.20 1faf h THR 64 Ca 0.20 -0.13 -0.29 0.00 0.77 0.00 0.00 66.41 66.96 1faf h THR 64 Cb -0.02 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.38 1faf h THR 64 CO -0.05 0.07 -1.51 -0.33 0.37 0.00 0.00 175.52 174.07 1faf h GLU 65 N 0.39 0.13 -0.96 6.66 4.39 -1.25 -3.34 114.58 120.60 1faf h GLU 65 Ca 0.66 -0.22 0.11 0.00 0.34 0.00 0.00 59.36 60.25 1faf h GLU 65 Cb 1.61 0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 30.26 1faf h GLU 65 CO -0.41 0.92 0.59 0.28 -1.16 0.00 0.00 179.01 179.24 1faf h VAL 66 N 0.04 0.93 -0.01 3.13 2.07 0.15 0.70 116.25 123.26 1faf h VAL 66 Ca -0.22 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 1faf h VAL 66 Cb 1.97 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1faf h VAL 66 CO 0.13 0.17 -0.19 1.88 0.02 0.00 0.00 177.57 179.58 1faf h TYR 67 N 0.96 0.01 0.00 1.57 -1.99 -0.79 -2.25 116.97 114.48 1faf h TYR 67 Ca 0.47 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 61.18 1faf h TYR 67 Cb 0.44 -0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.17 1faf h TYR 67 CO -0.02 0.21 -1.09 0.09 -0.00 0.00 0.00 178.16 177.35 1faf n ASN 68 N -4.30 0.81 -0.31 3.88 3.02 0.48 -4.10 115.26 114.73 1faf n ASN 68 Ca -0.02 0.32 0.02 0.00 -0.03 0.00 0.00 54.58 54.86 1faf n ASN 68 Cb 0.26 0.49 0.20 0.00 -0.61 0.00 0.00 39.78 40.12 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 0.98 0.00 3.41 8.10 0.90 0.30 115.31 128.99 1faf h LEU 69 Ca -0.02 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.97 1faf h LEU 69 Cb 1.06 -0.22 0.00 0.00 -0.44 0.00 0.00 40.66 41.05 1faf h LEU 69 CO 0.00 0.67 0.00 -2.11 -4.11 0.00 0.00 178.44 172.89 1faf n ARG 70 N -4.45 0.65 -0.06 0.17 1.85 -1.23 -2.57 116.66 111.03 1faf n ARG 70 Ca 0.12 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 56.91 1faf n ARG 70 Cb 0.11 -1.45 -0.09 0.00 -1.05 0.00 0.00 32.46 29.99 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 -0.95 1.96 -0.72 2.89 2.81 0.02 -5.02 117.12 118.11 1faf n MET 71 Ca 0.14 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.74 1faf n MET 71 Cb 0.06 -1.29 0.25 0.00 -0.71 0.00 0.00 33.22 31.53 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 -4.50 0.71 -0.21 7.83 0.01 -0.76 -4.92 114.94 113.09 1faf s ASN 72 Ca -0.07 1.11 0.09 0.00 -0.71 0.00 0.00 52.86 53.28 1faf s ASN 72 Cb 0.04 -1.68 0.61 0.00 0.41 0.00 0.00 41.25 40.63 1faf s ASN 72 CO 0.45 -4.31 1.51 0.18 -1.51 0.00 0.00 177.10 173.42 1faf n LEU 73 N -4.95 4.89 -1.96 0.60 7.99 -1.26 -4.34 117.00 117.98 1faf n LEU 73 Ca 0.07 -2.51 -0.14 0.00 -0.01 0.00 0.00 56.01 53.42 1faf n LEU 73 Cb 0.57 -0.67 0.19 0.00 -0.11 0.00 0.00 43.42 43.41 1faf n LEU 73 CO 0.52 0.62 1.08 0.61 -1.51 0.00 0.00 177.39 178.70 1faf n GLY 74 N 0.24 3.80 0.00 -0.72 0.00 -1.26 -4.70 105.19 102.55 1faf n GLY 74 Ca 0.26 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.57 -1.31 3.76 -0.02 0.00 -1.26 -4.80 105.19 100.99 1faf n GLY 75 Ca 0.44 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.43 3.36 -0.42 2.61 -1.32 -1.26 -4.97 115.64 113.20 1faf s THR 76 Ca 0.00 1.32 0.08 0.00 -1.21 0.00 0.00 61.69 61.89 1faf s THR 76 Cb 0.00 -3.82 0.37 0.00 -1.51 0.00 0.00 72.50 67.53 1faf s THR 76 CO 0.00 0.28 1.26 0.61 -2.21 0.00 0.00 174.62 174.56 1faf n GLY 77 N 1.02 1.13 3.69 6.08 0.00 -1.26 -5.12 105.19 110.72 1faf n GLY 77 Ca -0.00 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 0.08 2.97 -3.00 1.61 0.40 -1.26 -5.28 117.98 113.50 1faf s PHE 78 Ca 0.22 0.98 0.24 0.00 -0.60 0.00 0.00 56.93 57.77 1faf s PHE 78 Cb 0.36 -3.56 0.19 0.00 0.51 0.00 0.00 43.02 40.52 1faf s PHE 78 CO -0.07 -1.97 1.26 1.04 0.70 0.00 0.00 175.22 176.18