#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1faf s ASP 2 N 0.00 6.72 -0.92 7.83 -4.77 -1.26 -4.96 116.67 119.31 1faf s ASP 2 Ca 0.00 1.67 -0.14 0.00 -3.30 0.00 0.00 52.55 50.78 1faf s ASP 2 Cb 0.00 -2.54 0.22 0.00 -1.09 0.00 0.00 42.92 39.51 1faf s ASP 2 CO 0.00 -0.96 0.93 -0.13 0.70 0.00 0.00 175.17 175.70 1faf s ARG 3 N 3.99 3.76 -0.07 2.11 3.00 -1.26 -5.00 118.95 125.48 1faf s ARG 3 Ca 0.62 -2.54 0.02 0.00 0.00 0.00 0.00 55.73 53.83 1faf s ARG 3 Cb -0.23 -4.56 0.02 0.00 0.00 0.00 0.00 34.95 30.17 1faf s ARG 3 CO 0.22 -1.37 -0.11 0.14 0.00 0.00 0.00 175.30 174.18 1faf s VAL 4 N 0.28 1.07 0.17 3.52 -7.23 -1.26 -4.75 120.40 112.21 1faf s VAL 4 Ca 0.24 -0.42 -0.13 0.00 -1.81 0.00 0.00 61.98 59.86 1faf s VAL 4 Cb -0.09 -1.00 -0.07 0.00 0.56 0.00 0.00 36.38 35.78 1faf s VAL 4 CO -0.08 0.35 0.56 -1.48 -0.31 0.00 0.00 175.10 174.13 1faf s LEU 5 N 0.87 4.29 0.00 1.32 2.34 -1.26 -5.09 118.68 121.15 1faf s LEU 5 Ca -0.11 1.05 -0.01 0.00 0.06 0.00 0.00 54.13 55.12 1faf s LEU 5 Cb -0.15 -3.40 0.09 0.00 -0.56 0.00 0.00 46.19 42.17 1faf s LEU 5 CO 0.01 0.05 0.57 -1.54 -1.06 0.00 0.00 176.35 174.38 1faf n SER 6 N 0.54 0.63 -0.29 1.48 3.41 -1.26 -4.82 113.62 113.31 1faf n SER 6 Ca -0.04 -1.56 0.04 0.00 -0.26 0.00 0.00 58.87 57.05 1faf n SER 6 Cb 0.52 -0.38 0.19 0.00 -0.26 0.00 0.00 64.21 64.28 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 0.73 -0.92 4.33 3.08 -1.99 -0.98 114.38 118.63 1faf h ARG 7 Ca -0.19 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 59.86 1faf h ARG 7 Cb 0.66 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.49 1faf h ARG 7 CO 0.19 0.48 0.59 0.00 -1.07 0.00 0.00 179.97 180.16 1faf h ALA 8 N 1.49 1.24 0.57 0.04 0.00 -1.97 0.43 119.26 121.05 1faf h ALA 8 Ca 0.42 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 1faf h ALA 8 Cb 0.45 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1faf h ALA 8 CO -0.28 0.42 -0.27 -0.44 0.00 0.00 0.00 179.25 178.68 1faf h ASP 9 N 1.12 -0.64 -0.69 0.00 5.19 -1.56 -1.24 116.42 118.60 1faf h ASP 9 Ca 0.38 -0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.75 1faf h ASP 9 Cb 0.06 0.17 -0.03 0.00 0.18 0.00 0.00 39.33 39.71 1faf h ASP 9 CO -0.14 -0.27 0.42 0.07 -3.12 0.00 0.00 179.24 176.20 1faf h LYS 10 N -1.08 0.94 0.00 3.56 5.09 -1.27 0.39 116.57 124.20 1faf h LYS 10 Ca -0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 60.65 60.56 1faf h LYS 10 Cb 0.64 -0.20 -0.00 0.00 0.10 0.00 0.00 32.23 32.77 1faf h LYS 10 CO 0.13 0.67 -0.05 0.93 -2.09 0.00 0.00 179.45 179.03 1faf h GLU 11 N 0.94 0.00 0.08 0.07 4.39 -0.19 -0.69 114.58 119.18 1faf h GLU 11 Ca 0.25 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.64 1faf h GLU 11 Cb -0.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 1faf h GLU 11 CO -0.05 0.05 -1.63 -0.09 -1.16 0.00 0.00 179.01 176.14 1faf h ARG 12 N 0.00 0.16 -0.16 2.33 9.65 0.10 -3.25 114.38 123.22 1faf h ARG 12 Ca -0.00 -0.28 -0.06 0.00 -1.10 0.00 0.00 59.98 58.54 1faf h ARG 12 Cb 0.13 0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 1faf h ARG 12 CO 0.01 0.95 -0.18 1.25 2.80 0.00 0.00 179.97 184.80 1faf h LEU 13 N 0.04 0.26 -0.64 3.80 5.85 0.56 -2.44 115.31 122.75 1faf h LEU 13 Ca -0.27 -0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.25 1faf h LEU 13 Cb 2.00 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.95 1faf h LEU 13 CO 0.12 0.46 -0.33 -0.07 -0.34 0.00 0.00 178.44 178.28 1faf h LEU 14 N 0.25 0.74 0.14 2.25 3.38 -1.26 -2.20 115.31 118.61 1faf h LEU 14 Ca 0.05 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.72 1faf h LEU 14 Cb 0.47 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1faf h LEU 14 CO 0.03 1.01 -0.21 -0.08 0.09 0.00 0.00 178.44 179.28 1faf h GLU 15 N 0.59 -0.40 0.00 1.13 4.57 -1.47 -0.48 114.58 118.53 1faf h GLU 15 Ca 0.06 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1faf h GLU 15 Cb 0.85 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.53 1faf h GLU 15 CO 0.07 -0.27 0.00 1.28 -1.18 0.00 0.00 179.01 178.92 1faf n LEU 16 N -5.34 0.41 -0.03 1.64 4.77 -1.16 -2.21 117.00 115.08 1faf n LEU 16 Ca -0.07 0.60 0.12 0.00 -0.03 0.00 0.00 56.01 56.63 1faf n LEU 16 Cb 0.25 -0.53 0.26 0.00 -2.33 0.00 0.00 43.42 41.07 1faf n LEU 16 CO 0.28 -0.41 0.47 0.18 -1.33 0.00 0.00 177.39 176.58 1faf n LEU 17 N -1.95 0.57 -1.40 2.23 7.99 -0.30 -4.78 117.00 119.37 1faf n LEU 17 Ca 0.03 -0.04 -0.14 0.00 -0.01 0.00 0.00 56.01 55.85 1faf n LEU 17 Cb 0.22 -0.23 -0.06 0.00 -0.11 0.00 0.00 43.42 43.24 1faf n LEU 17 CO 0.18 0.14 -0.13 0.29 -1.51 0.00 0.00 177.39 176.35 1faf n LYS 18 N -1.39 -1.33 -3.87 3.23 4.01 -0.53 -4.62 118.16 113.67 1faf n LYS 18 Ca 0.06 0.84 -0.36 0.00 -0.51 0.00 0.00 58.31 58.35 1faf n LYS 18 Cb 0.34 -5.10 -0.13 0.00 -0.51 0.00 0.00 35.03 29.62 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 -3.84 3.87 1.03 -0.35 0.20 -1.17 -5.09 118.68 113.34 1faf s LEU 19 Ca 0.00 -1.13 -0.20 0.00 0.69 0.00 0.00 54.13 53.49 1faf s LEU 19 Cb 0.00 -1.75 -0.05 0.00 -0.43 0.00 0.00 46.19 43.96 1faf s LEU 19 CO 0.00 -0.25 -0.57 -2.65 -0.29 0.00 0.00 176.35 172.59 1faf n PRO 20 N 4.69 -0.57 0.00 0.98 -0.02 -1.26 -4.72 135.00 134.10 1faf n PRO 20 Ca -0.14 -0.15 0.13 0.00 -2.02 0.00 0.00 63.50 61.32 1faf n PRO 20 Cb 0.45 -1.37 0.41 0.00 -0.02 0.00 0.00 33.50 32.96 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 0.29 1.07 0.08 -0.52 0.00 -1.26 -3.93 116.66 112.40 1faf n ARG 21 Ca 0.00 -0.63 -0.10 0.00 -0.00 0.00 0.00 57.85 57.12 1faf n ARG 21 Cb 0.64 -1.49 -0.08 0.00 -0.00 0.00 0.00 32.46 31.54 1faf n ARG 21 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 1faf h GLN 22 N 1.55 0.15 -0.68 2.89 4.15 -2.05 -3.21 115.11 117.90 1faf h GLN 22 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.22 1faf h GLN 22 Cb 0.51 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.27 1faf h GLN 22 CO 0.00 1.03 0.00 1.47 -1.93 0.00 0.00 178.83 179.40 1faf n LEU 23 N -3.53 4.02 -4.53 -2.39 -0.00 -1.25 -4.95 117.00 104.37 1faf n LEU 23 Ca -0.04 -2.09 -0.39 0.00 -0.00 0.00 0.00 56.01 53.49 1faf n LEU 23 Cb 0.90 -0.48 -0.07 0.00 -0.00 0.00 0.00 43.42 43.77 1faf n LEU 23 CO 0.49 0.93 2.07 1.87 -0.00 0.00 0.00 177.39 182.76 1faf n TRP 24 N 1.43 1.17 0.00 1.47 -0.00 -1.21 -2.55 117.44 117.75 1faf n TRP 24 Ca 0.24 0.21 0.00 0.00 -0.00 0.00 0.00 57.50 57.95 1faf n TRP 24 Cb 0.66 -2.55 0.00 0.00 -0.00 0.00 0.00 31.31 29.42 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 6.21 0.99 3.56 5.87 0.00 -1.26 -5.09 105.19 115.47 1faf n GLY 25 Ca 0.47 -0.04 -0.35 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 5.67 0.39 1.61 2.15 -1.06 -4.84 116.67 120.60 1faf s ASP 26 Ca 0.00 -0.62 0.17 0.00 0.43 0.00 0.00 52.55 52.54 1faf s ASP 26 Cb 0.00 -2.56 1.07 0.00 -0.30 0.00 0.00 42.92 41.13 1faf s ASP 26 CO 0.00 -2.21 1.78 0.15 -0.17 0.00 0.00 175.17 174.72 1faf h PHE 27 N 11.53 0.69 -0.07 -5.34 3.57 -1.98 0.23 116.94 125.57 1faf h PHE 27 Ca -0.01 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 1faf h PHE 27 Cb 1.05 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 1faf h PHE 27 CO 1.18 0.08 -0.41 0.78 -2.23 0.00 0.00 178.31 177.72 1faf h GLY 28 N 0.43 0.17 1.37 2.40 0.00 -1.99 -0.51 103.07 104.94 1faf h GLY 28 Ca 0.58 -0.16 -0.30 0.00 0.00 0.00 0.00 47.33 47.46 1faf h GLY 28 CO -0.30 0.15 -1.43 -0.09 0.00 0.00 0.00 176.54 174.86 1faf h ARG 29 N 0.14 0.26 -0.07 4.80 2.43 -1.02 -2.99 114.38 117.92 1faf h ARG 29 Ca 0.01 -0.44 -0.17 0.00 -0.81 0.00 0.00 59.98 58.57 1faf h ARG 29 Cb 0.78 0.16 0.01 0.00 -0.42 0.00 0.00 29.97 30.51 1faf h ARG 29 CO 0.06 1.15 -0.63 0.00 -1.51 0.00 0.00 179.97 179.04 1faf h MET 30 N 0.07 0.55 -0.17 0.20 -0.00 -1.03 -2.91 114.93 111.64 1faf h MET 30 Ca -0.21 -0.50 -0.02 0.00 -0.00 0.00 0.00 59.70 58.98 1faf h MET 30 Cb 2.00 0.12 -0.01 0.00 -0.00 0.00 0.00 31.60 33.71 1faf h MET 30 CO 0.18 1.12 0.05 0.37 -0.00 0.00 0.00 176.91 178.63 1faf h GLN 31 N 0.14 0.26 -0.50 -0.10 4.15 -1.23 0.37 115.11 118.21 1faf h GLN 31 Ca -0.06 -0.06 0.07 0.00 0.77 0.00 0.00 58.65 59.38 1faf h GLN 31 Cb 1.29 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.91 1faf h GLN 31 CO 0.13 0.40 0.34 -0.56 -1.93 0.00 0.00 178.83 177.20 1faf h GLN 32 N 0.08 0.36 0.05 1.69 3.07 -1.62 -0.04 115.11 118.71 1faf h GLN 32 Ca 0.05 -0.02 -0.16 0.00 0.09 0.00 0.00 58.65 58.61 1faf h GLN 32 Cb 0.25 -0.08 0.02 0.00 0.08 0.00 0.00 27.48 27.74 1faf h GLN 32 CO -0.00 0.24 -0.65 0.00 0.09 0.00 0.00 178.83 178.51 1faf h ALA 33 N 1.74 0.01 -0.89 0.06 0.00 -1.25 -1.85 119.26 117.07 1faf h ALA 33 Ca 0.22 -0.61 0.14 0.00 0.00 0.00 0.00 54.91 54.67 1faf h ALA 33 Cb 0.41 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1faf h ALA 33 CO -0.05 0.34 0.57 -0.92 0.00 0.00 0.00 179.25 179.19 1faf h TYR 34 N -0.24 0.83 0.01 0.00 5.03 0.73 0.39 116.97 123.72 1faf h TYR 34 Ca -0.10 0.02 -0.15 0.00 2.58 0.00 0.00 58.73 61.09 1faf h TYR 34 Cb 1.41 -0.26 0.01 0.00 1.55 0.00 0.00 36.73 39.44 1faf h TYR 34 CO 0.17 0.31 -0.59 0.87 -1.32 0.00 0.00 178.16 177.60 1faf h LYS 35 N 0.71 0.39 -0.00 1.82 1.79 -1.07 -1.57 116.57 118.63 1faf h LYS 35 Ca 0.45 -0.43 -0.02 0.00 -2.18 0.00 0.00 60.65 58.47 1faf h LYS 35 Cb 0.70 0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.47 1faf h LYS 35 CO -0.21 1.10 -0.08 0.37 -1.08 0.00 0.00 179.45 179.56 1faf h GLN 36 N -0.15 0.00 0.00 3.15 5.75 -0.40 -1.00 115.11 122.46 1faf h GLN 36 Ca -0.08 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 1faf h GLN 36 Cb 1.31 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.86 1faf h GLN 36 CO 0.12 0.08 -0.69 1.96 -2.65 0.00 0.00 178.83 177.65 1faf h GLN 37 N 0.00 0.00 0.04 1.69 1.08 -0.27 -3.33 115.11 114.32 1faf h GLN 37 Ca -0.00 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.96 1faf h GLN 37 Cb 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1faf h GLN 37 CO 0.01 0.00 -1.02 0.77 -0.95 0.00 0.00 178.83 177.64 1faf h SER 38 N 0.00 0.45 -0.12 1.46 0.02 -0.14 -2.55 113.55 112.67 1faf h SER 38 Ca 0.00 -0.40 -0.03 0.00 -0.84 0.00 0.00 61.79 60.52 1faf h SER 38 Cb 0.92 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 1faf h SER 38 CO 0.00 1.23 0.01 -0.07 -1.14 0.00 0.00 176.83 176.86 1faf h LEU 39 N 0.16 0.26 0.00 5.07 3.38 -1.50 0.28 115.31 122.97 1faf h LEU 39 Ca -0.09 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1faf h LEU 39 Cb 1.69 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.37 1faf h LEU 39 CO 0.17 0.31 -0.73 0.17 0.09 0.00 0.00 178.44 178.45 1faf h LEU 40 N 0.29 0.00 -0.60 1.67 8.10 -1.69 -3.29 115.31 119.79 1faf h LEU 40 Ca 0.07 -0.19 0.00 0.00 0.11 0.00 0.00 57.88 57.87 1faf h LEU 40 Cb 0.18 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.40 1faf h LEU 40 CO 0.00 0.10 -0.43 0.18 -4.11 0.00 0.00 178.44 174.18 1faf n LEU 41 N -2.21 1.36 -4.76 0.17 4.77 -0.61 -4.42 117.00 111.30 1faf n LEU 41 Ca 0.03 -0.45 -0.41 0.00 -0.03 0.00 0.00 56.01 55.15 1faf n LEU 41 Cb 0.46 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1faf n LEU 41 CO 0.37 0.26 0.95 -2.28 -1.33 0.00 0.00 177.39 175.37 1faf s HIS 42 N -2.58 3.20 -0.59 -1.77 2.46 -0.01 -4.19 115.29 111.80 1faf s HIS 42 Ca 0.19 1.41 0.14 0.00 0.47 0.00 0.00 55.06 57.27 1faf s HIS 42 Cb 0.18 -3.59 0.71 0.00 -0.13 0.00 0.00 32.58 29.75 1faf s HIS 42 CO 0.59 -1.65 1.44 -0.35 -2.47 0.00 0.00 174.74 172.30 1faf n PRO 43 N 1.37 0.09 0.11 2.88 -0.04 -1.26 -1.34 135.00 136.81 1faf n PRO 43 Ca 0.02 0.51 0.08 0.00 -0.04 0.00 0.00 63.50 64.07 1faf n PRO 43 Cb 0.42 -1.75 0.01 0.00 -0.04 0.00 0.00 33.50 32.15 1faf n PRO 43 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1faf h ASP 44 N 0.00 0.00 -1.00 3.54 1.82 -1.90 -3.33 116.42 115.55 1faf h ASP 44 Ca 0.00 0.00 -0.53 0.00 -0.39 0.00 0.00 57.03 56.11 1faf h ASP 44 Cb 0.09 0.00 -0.31 0.00 0.68 0.00 0.00 39.33 39.79 1faf h ASP 44 CO 0.00 0.19 0.68 0.29 -1.61 0.00 0.00 179.24 178.79 1faf n LYS 45 N -2.85 2.29 -3.02 0.28 4.01 -0.45 -4.88 118.16 113.55 1faf n LYS 45 Ca -0.02 -3.03 -0.12 0.00 -0.51 0.00 0.00 58.31 54.63 1faf n LYS 45 Cb 0.64 -2.19 0.05 0.00 -0.51 0.00 0.00 35.03 33.02 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 -1.12 -0.03 3.53 0.72 0.00 -1.24 -4.90 105.19 102.15 1faf n GLY 46 Ca 0.60 -0.11 -0.25 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 -3.57 2.33 0.26 -0.02 0.00 -1.06 -5.02 107.32 100.23 1faf s GLY 47 Ca 0.16 -1.89 -0.10 0.00 0.00 0.00 0.00 44.72 42.88 1faf s GLY 47 CO 0.45 -1.92 0.59 -0.56 0.00 0.00 0.00 173.10 171.66 1faf s SER 48 N -3.59 6.63 0.01 1.64 0.01 -1.26 -4.21 113.70 112.93 1faf s SER 48 Ca 0.32 0.97 -0.18 0.00 1.31 0.00 0.00 55.95 58.37 1faf s SER 48 Cb 0.08 -2.25 -0.31 0.00 0.21 0.00 0.00 66.02 63.75 1faf s SER 48 CO 0.15 -0.12 1.00 -0.74 0.41 0.00 0.00 173.24 173.95 1faf h HIS 49 N 2.38 0.82 -0.70 2.43 2.76 -1.95 -3.27 115.15 117.61 1faf h HIS 49 Ca -0.47 -0.56 0.02 0.00 -2.20 0.00 0.00 60.37 57.16 1faf h HIS 49 Cb 1.17 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 30.05 1faf h HIS 49 CO 0.61 1.42 0.46 0.00 -1.30 0.00 0.00 177.93 179.12 1faf h ALA 50 N 0.18 1.55 0.52 5.26 0.00 -1.95 -2.34 119.26 122.48 1faf h ALA 50 Ca -0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1faf h ALA 50 Cb 1.85 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 19.38 1faf h ALA 50 CO 0.21 0.40 -0.25 -0.07 0.00 0.00 0.00 179.25 179.54 1faf h LEU 51 N 0.90 -0.59 -1.96 0.00 4.07 -1.93 -2.49 115.31 113.31 1faf h LEU 51 Ca 0.27 -0.03 0.09 0.00 0.08 0.00 0.00 57.88 58.28 1faf h LEU 51 Cb -0.03 0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 1faf h LEU 51 CO -0.07 -0.34 0.23 -0.03 -1.08 0.00 0.00 178.44 177.16 1faf h MET 52 N -0.81 0.05 0.00 1.13 4.05 -1.57 0.86 114.93 118.63 1faf h MET 52 Ca -0.07 -0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.27 1faf h MET 52 Cb 0.59 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.36 1faf h MET 52 CO 0.12 0.03 -0.37 1.96 0.23 0.00 0.00 176.91 178.88 1faf h GLN 53 N 0.05 0.00 -0.02 0.39 1.08 -1.15 -2.89 115.11 112.57 1faf h GLN 53 Ca 0.16 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.34 1faf h GLN 53 Cb 0.56 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1faf h GLN 53 CO -0.01 0.37 -0.05 0.93 -0.95 0.00 0.00 178.83 179.12 1faf h GLU 54 N 0.00 0.07 -0.51 1.46 4.39 -0.38 -2.71 114.58 116.89 1faf h GLU 54 Ca -0.00 -0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.72 1faf h GLU 54 Cb 0.78 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.38 1faf h GLU 54 CO 0.05 0.65 0.20 1.25 -1.16 0.00 0.00 179.01 179.99 1faf h LEU 55 N -0.50 0.22 -0.74 1.33 5.85 -1.47 -0.12 115.31 119.87 1faf h LEU 55 Ca -0.00 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1faf h LEU 55 Cb 0.65 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 1faf h LEU 55 CO 0.01 0.15 0.48 0.78 -0.34 0.00 0.00 178.44 179.52 1faf h ASN 56 N 0.39 0.81 0.24 1.25 2.35 -1.57 0.53 115.58 119.58 1faf h ASN 56 Ca 0.24 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.92 1faf h ASN 56 Cb 0.24 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1faf h ASN 56 CO -0.23 0.57 -0.28 -1.28 -1.65 0.00 0.00 177.43 174.55 1faf h SER 57 N 0.95 0.07 1.03 5.81 0.87 -0.99 0.48 113.55 121.77 1faf h SER 57 Ca 0.29 -0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.70 1faf h SER 57 Cb -0.03 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 1faf h SER 57 CO -0.09 0.36 -1.03 -0.07 -0.53 0.00 0.00 176.83 175.46 1faf h LEU 58 N 0.06 0.00 0.00 2.23 3.38 -0.06 -3.25 115.31 117.68 1faf h LEU 58 Ca 0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 1faf h LEU 58 Cb 0.54 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1faf h LEU 58 CO 0.04 0.50 -1.39 -0.25 0.09 0.00 0.00 178.44 177.43 1faf h TRP 59 N 0.00 0.00 0.38 1.13 2.91 0.36 -3.16 115.95 117.58 1faf h TRP 59 Ca -0.09 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.91 1faf h TRP 59 Cb 1.46 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.11 1faf h TRP 59 CO 0.00 0.62 -0.18 0.78 -1.03 0.00 0.00 178.44 178.63 1faf h GLY 60 N 3.67 -0.53 0.28 2.65 0.00 -0.15 0.22 103.07 109.21 1faf h GLY 60 Ca -0.17 0.20 0.07 0.00 0.00 0.00 0.00 47.33 47.43 1faf h GLY 60 CO 0.05 -0.19 -0.10 0.00 0.00 0.00 0.00 176.54 176.30 1faf h THR 61 N -0.77 0.63 -0.72 4.70 1.03 -1.76 0.13 112.91 116.15 1faf h THR 61 Ca -0.05 0.00 0.15 0.00 -0.01 0.00 0.00 66.41 66.50 1faf h THR 61 Cb 0.39 0.63 -0.13 0.00 -1.07 0.00 0.00 68.15 67.96 1faf h THR 61 CO 0.09 0.00 -0.13 0.15 -0.01 0.00 0.00 175.52 175.62 1faf h PHE 62 N -0.02 -0.29 -0.55 0.00 3.57 -1.60 0.81 116.94 118.86 1faf h PHE 62 Ca 0.17 0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.81 1faf h PHE 62 Cb 0.27 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 1faf h PHE 62 CO -0.33 -0.29 0.37 -0.22 -2.23 0.00 0.00 178.31 175.61 1faf h LYS 63 N 0.03 0.39 -0.99 1.11 3.64 0.21 0.07 116.57 121.04 1faf h LYS 63 Ca 0.36 -0.02 0.21 0.00 -1.27 0.00 0.00 60.65 59.93 1faf h LYS 63 Cb 0.58 -0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 32.22 1faf h LYS 63 CO -0.72 0.26 0.62 1.15 -2.27 0.00 0.00 179.45 178.49 1faf h THR 64 N 0.40 0.66 0.02 1.00 2.02 0.17 0.48 112.91 117.66 1faf h THR 64 Ca 0.25 -0.20 -0.26 0.00 0.77 0.00 0.00 66.41 66.97 1faf h THR 64 Cb 0.46 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.84 1faf h THR 64 CO -0.07 0.11 -1.40 -0.33 0.37 0.00 0.00 175.52 174.20 1faf h GLU 65 N 0.59 0.04 -0.65 6.66 4.39 -1.02 -3.32 114.58 121.27 1faf h GLU 65 Ca 0.56 -0.06 0.08 0.00 0.34 0.00 0.00 59.36 60.28 1faf h GLU 65 Cb 1.11 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.74 1faf h GLU 65 CO -0.31 0.79 0.43 0.28 -1.16 0.00 0.00 179.01 179.03 1faf h VAL 66 N 0.01 0.95 -0.07 3.13 2.07 0.13 0.83 116.25 123.30 1faf h VAL 66 Ca -0.17 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.06 1faf h VAL 66 Cb 1.92 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1faf h VAL 66 CO 0.11 0.10 -0.40 0.22 0.02 0.00 0.00 177.57 177.63 1faf h TYR 67 N 0.56 0.18 0.00 1.57 3.20 -1.03 -2.99 116.97 118.46 1faf h TYR 67 Ca 0.29 -0.05 -0.10 0.00 3.14 0.00 0.00 58.73 62.02 1faf h TYR 67 Cb 0.41 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1faf h TYR 67 CO -0.00 0.53 -1.30 0.09 -1.64 0.00 0.00 178.16 175.84 1faf n ASN 68 N -4.05 0.80 -0.16 -2.11 3.02 0.15 -4.11 115.26 108.81 1faf n ASN 68 Ca -0.02 0.33 0.17 0.00 -0.03 0.00 0.00 54.58 55.04 1faf n ASN 68 Cb 0.45 0.38 0.54 0.00 -0.61 0.00 0.00 39.78 40.54 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 0.33 0.00 3.41 8.10 0.73 0.42 115.31 128.30 1faf h LEU 69 Ca -0.10 0.02 0.00 0.00 0.11 0.00 0.00 57.88 57.91 1faf h LEU 69 Cb 1.34 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 41.51 1faf h LEU 69 CO 0.02 0.16 0.00 0.54 -4.11 0.00 0.00 178.44 175.06 1faf n ARG 70 N -4.46 0.93 -0.04 0.17 1.74 -1.25 -2.03 116.66 111.72 1faf n ARG 70 Ca 0.15 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.25 1faf n ARG 70 Cb 0.58 -1.45 -0.13 0.00 -1.02 0.00 0.00 32.46 30.45 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 0.89 -0.01 5.56 2.81 0.15 -4.51 117.12 121.06 1faf n MET 71 Ca 0.20 -0.09 0.09 0.00 -1.81 0.00 0.00 57.70 56.09 1faf n MET 71 Cb 0.09 -1.40 -0.13 0.00 -0.71 0.00 0.00 33.22 31.07 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 -2.28 0.75 -4.56 7.83 3.02 -1.08 -4.81 115.26 114.12 1faf n ASN 72 Ca -0.12 -0.28 -0.39 0.00 -0.03 0.00 0.00 54.58 53.76 1faf n ASN 72 Cb 0.67 1.60 -0.03 0.00 -0.61 0.00 0.00 39.78 41.40 1faf n ASN 72 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1faf s LEU 73 N -3.87 3.49 0.00 3.41 1.43 -0.86 -4.81 118.68 117.47 1faf s LEU 73 Ca -0.03 -1.53 0.00 0.00 -1.03 0.00 0.00 54.13 51.54 1faf s LEU 73 Cb 0.13 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.77 1faf s LEU 73 CO 0.77 -1.71 0.00 0.61 0.23 0.00 0.00 176.35 176.25 1faf n GLY 74 N 6.55 3.13 0.00 -3.19 0.00 -1.26 -4.98 105.19 105.45 1faf n GLY 74 Ca 0.38 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.21 3.37 3.56 -0.02 0.00 -1.26 -5.06 105.19 104.57 1faf n GLY 75 Ca 0.00 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 1faf n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1faf s THR 76 N 0.00 4.20 0.00 2.61 -4.23 -1.26 -4.00 115.64 112.96 1faf s THR 76 Ca 0.00 0.70 0.00 0.00 -1.18 0.00 0.00 61.69 61.21 1faf s THR 76 Cb 0.00 -4.63 0.00 0.00 1.34 0.00 0.00 72.50 69.21 1faf s THR 76 CO 0.00 -1.19 0.00 0.61 -0.54 0.00 0.00 174.62 173.50 1faf n GLY 77 N 5.05 0.74 3.77 3.99 0.00 -1.26 -5.14 105.19 112.34 1faf n GLY 77 Ca 0.06 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 2.73 -2.54 1.61 0.08 -1.26 -5.32 117.98 113.29 1faf s PHE 78 Ca 0.00 1.37 0.28 0.00 0.12 0.00 0.00 56.93 58.70 1faf s PHE 78 Cb 0.00 -3.73 0.98 0.00 -0.57 0.00 0.00 43.02 39.70 1faf s PHE 78 CO 0.00 -2.30 1.71 0.94 -0.10 0.00 0.00 175.22 175.47