#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2doa n SER 2 N 0.00 0.00 -2.71 1.61 2.88 -1.26 -4.78 113.62 109.36 2doa n SER 2 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 2doa n SER 2 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 2doa n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2doa n SER 3 N 1.72 -6.36 0.00 -3.46 7.64 -1.26 -5.03 113.62 106.87 2doa n SER 3 Ca 0.00 1.40 0.00 0.00 1.01 0.00 0.00 58.87 61.28 2doa n SER 3 Cb 0.00 -5.24 0.00 0.00 -1.01 0.00 0.00 64.21 57.96 2doa n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2doa n GLY 4 N 0.95 -1.52 2.66 0.23 0.00 -1.26 -5.13 105.19 101.12 2doa n GLY 4 Ca -0.09 -1.40 -0.02 0.00 0.00 0.00 0.00 46.02 44.50 2doa n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2doa n SER 5 N 3.00 -5.17 -1.44 1.61 7.64 -1.26 -4.86 113.62 113.14 2doa n SER 5 Ca 0.00 1.39 0.19 0.00 1.01 0.00 0.00 58.87 61.46 2doa n SER 5 Cb 0.00 -5.28 -0.06 0.00 -1.01 0.00 0.00 64.21 57.86 2doa n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2doa n SER 6 N 1.06 -8.65 0.00 6.43 2.88 -1.26 -4.98 113.62 109.10 2doa n SER 6 Ca -0.16 0.92 0.00 0.00 -1.33 0.00 0.00 58.87 58.30 2doa n SER 6 Cb 0.24 -4.59 0.00 0.00 -0.75 0.00 0.00 64.21 59.11 2doa n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2doa n GLY 7 N -4.29 0.00 0.09 0.46 0.00 -1.26 -5.03 105.19 95.16 2doa n GLY 7 Ca -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 2doa n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2doa n VAL 8 N 0.00 0.59 0.09 1.61 0.31 -1.26 -4.43 118.33 115.23 2doa n VAL 8 Ca 0.00 -0.22 -0.08 0.00 -0.01 0.00 0.00 64.34 64.03 2doa n VAL 8 Cb 0.00 -0.92 -0.04 0.00 -0.91 0.00 0.00 33.84 31.98 2doa n VAL 8 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2doa h SER 9 N -0.03 0.14 0.02 4.52 0.02 -1.95 -3.22 113.55 113.06 2doa h SER 9 Ca -0.23 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 60.50 2doa h SER 9 Cb 1.35 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 2doa h SER 9 CO -0.04 0.99 -0.26 1.56 -1.14 0.00 0.00 176.83 177.93 2doa h GLN 10 N 0.05 0.38 -7.15 3.45 4.20 -1.96 -3.44 115.11 110.65 2doa h GLN 10 Ca -0.04 -0.14 -0.50 0.00 0.06 0.00 0.00 58.65 58.03 2doa h GLN 10 Cb 1.59 -0.03 0.08 0.00 0.30 0.00 0.00 27.48 29.43 2doa h GLN 10 CO 0.13 0.62 0.40 1.03 -0.67 0.00 0.00 178.83 180.34 2doa s ARG 11 N -4.46 3.10 1.09 1.46 1.81 -1.22 -5.01 118.95 115.73 2doa s ARG 11 Ca -0.06 1.47 -0.17 0.00 -1.72 0.00 0.00 55.73 55.25 2doa s ARG 11 Cb 0.14 -1.98 0.15 0.00 -0.45 0.00 0.00 34.95 32.80 2doa s ARG 11 CO 0.78 -1.02 0.16 -2.30 -0.68 0.00 0.00 175.30 172.23 2doa n PRO 12 N -1.87 -2.11 0.04 3.54 -0.02 -1.26 -4.86 135.00 128.46 2doa n PRO 12 Ca 0.11 -0.61 -0.12 0.00 -2.02 0.00 0.00 63.50 60.85 2doa n PRO 12 Cb 0.52 -1.59 -0.14 0.00 -0.02 0.00 0.00 33.50 32.27 2doa n PRO 12 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2doa h PHE 13 N -2.44 0.22 -0.06 6.00 3.57 -1.95 -3.20 116.94 119.09 2doa h PHE 13 Ca -0.39 -0.16 -0.10 0.00 3.53 0.00 0.00 57.97 60.85 2doa h PHE 13 Cb 1.09 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 2doa h PHE 13 CO -1.54 1.20 -0.42 -0.09 -2.23 0.00 0.00 178.31 175.24 2doa h ARG 14 N 0.03 0.14 -0.03 1.11 2.43 -2.00 -2.92 114.38 113.14 2doa h ARG 14 Ca -0.21 -0.06 -0.20 0.00 -0.81 0.00 0.00 59.98 58.70 2doa h ARG 14 Cb 1.96 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.50 2doa h ARG 14 CO 0.13 0.54 -0.83 0.22 -1.51 0.00 0.00 179.97 178.52 2doa h ASP 15 N 0.11 0.42 -0.17 -3.80 1.82 -1.93 -1.39 116.42 111.49 2doa h ASP 15 Ca 0.01 -0.31 0.00 0.00 -0.39 0.00 0.00 57.03 56.34 2doa h ASP 15 Cb 0.80 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.67 2doa h ASP 15 CO 0.06 1.08 0.11 0.03 -1.61 0.00 0.00 179.24 178.92 2doa h ARG 16 N 0.21 0.23 -0.06 0.28 3.08 -1.51 -1.25 114.38 115.36 2doa h ARG 16 Ca -0.05 -0.01 -0.24 0.00 0.07 0.00 0.00 59.98 59.75 2doa h ARG 16 Cb 1.44 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 31.44 2doa h ARG 16 CO 0.14 0.16 -0.90 0.28 -1.07 0.00 0.00 179.97 178.57 2doa h VAL 17 N 0.23 1.31 -0.08 2.04 2.07 -1.58 -2.37 116.25 117.87 2doa h VAL 17 Ca 0.06 -2.18 0.02 0.00 0.82 0.00 0.00 66.70 65.43 2doa h VAL 17 Cb -0.02 2.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2doa h VAL 17 CO -0.01 0.67 0.06 0.25 0.02 0.00 0.00 177.57 178.56 2doa h LEU 18 N 0.40 0.00 0.04 2.57 5.85 -1.10 -0.54 115.31 122.53 2doa h LEU 18 Ca -0.08 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.35 2doa h LEU 18 Cb 1.53 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.53 2doa h LEU 18 CO 0.17 0.00 -1.56 0.45 -0.34 0.00 0.00 178.44 177.16 2doa h HIS 19 N 0.00 0.15 0.41 1.25 3.86 -1.19 -3.20 115.15 116.44 2doa h HIS 19 Ca 0.04 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.12 2doa h HIS 19 Cb 0.15 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.62 2doa h HIS 19 CO 0.00 1.17 -0.20 -0.07 0.86 0.00 0.00 177.93 179.69 2doa h LEU 20 N 0.02 -0.47 -1.95 2.43 3.38 -0.78 -3.14 115.31 114.81 2doa h LEU 20 Ca -0.24 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 57.66 2doa h LEU 20 Cb 1.97 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.83 2doa h LEU 20 CO 0.11 -0.07 0.13 -0.07 0.09 0.00 0.00 178.44 178.63 2doa h LEU 21 N -0.96 0.06 -1.75 1.67 3.38 -1.31 -1.10 115.31 115.31 2doa h LEU 21 Ca -0.06 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.94 2doa h LEU 21 Cb 0.56 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2doa h LEU 21 CO 0.09 0.04 0.22 0.00 0.09 0.00 0.00 178.44 178.88 2doa h ALA 22 N 1.90 1.89 0.11 1.53 0.00 -1.54 -2.99 119.26 120.16 2doa h ALA 22 Ca 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2doa h ALA 22 Cb 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2doa h ALA 22 CO -0.01 0.07 -0.05 -0.07 0.00 0.00 0.00 179.25 179.19 2doa h LEU 23 N 0.34 -0.13 -7.03 0.00 3.38 -1.18 -3.47 115.31 107.22 2doa h LEU 23 Ca 0.13 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 2doa h LEU 23 Cb 0.11 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 40.76 2doa h LEU 23 CO -0.03 0.49 0.19 0.00 0.09 0.00 0.00 178.44 179.18 2doa s ARG 24 N -2.66 1.25 0.10 1.13 1.70 -1.13 -4.94 118.95 114.40 2doa s ARG 24 Ca -0.10 -0.43 -0.33 0.00 -0.47 0.00 0.00 55.73 54.40 2doa s ARG 24 Cb -0.00 0.57 -0.13 0.00 -0.57 0.00 0.00 34.95 34.82 2doa s ARG 24 CO 0.36 -0.53 1.70 -2.30 -1.08 0.00 0.00 175.30 173.45 2doa n PRO 25 N -0.26 2.31 -3.98 3.89 -0.02 -1.26 -4.25 135.00 131.43 2doa n PRO 25 Ca -0.17 0.84 -0.29 0.00 -2.02 0.00 0.00 63.50 61.86 2doa n PRO 25 Cb 0.64 -2.65 -0.17 0.00 -0.02 0.00 0.00 33.50 31.31 2doa n PRO 25 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2doa s TYR 26 N 1.94 1.96 1.24 6.00 2.02 -0.83 -4.87 117.35 124.82 2doa s TYR 26 Ca 0.82 -1.08 -0.20 0.00 -0.37 0.00 0.00 57.07 56.24 2doa s TYR 26 Cb -0.64 -1.49 0.30 0.00 -0.40 0.00 0.00 41.96 39.74 2doa s TYR 26 CO 0.40 -0.62 1.08 1.03 -1.57 0.00 0.00 175.55 175.87 2doa s ARG 27 N 1.55 -1.52 0.02 -0.62 0.52 -1.26 -1.91 118.95 115.74 2doa s ARG 27 Ca 0.05 -0.02 -0.25 0.00 -0.52 0.00 0.00 55.73 55.00 2doa s ARG 27 Cb -0.13 -1.56 -0.18 0.00 0.52 0.00 0.00 34.95 33.61 2doa s ARG 27 CO -0.10 -3.92 1.45 0.87 0.02 0.00 0.00 175.30 173.62 2doa h LYS 28 N -2.73 0.02 -0.24 3.54 1.79 -1.94 0.86 116.57 117.87 2doa h LYS 28 Ca -0.45 -0.01 -0.12 0.00 -2.18 0.00 0.00 60.65 57.90 2doa h LYS 28 Cb 1.30 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.95 2doa h LYS 28 CO 0.33 0.32 -0.31 0.00 -1.08 0.00 0.00 179.45 178.71 2doa h ALA 29 N 0.70 0.36 -0.79 3.86 0.00 -1.93 -0.04 119.26 121.41 2doa h ALA 29 Ca 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 2doa h ALA 29 Cb 0.31 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2doa h ALA 29 CO 0.00 0.39 0.33 0.93 0.00 0.00 0.00 179.25 180.90 2doa h GLU 30 N 0.34 1.17 -0.09 0.00 5.08 -1.92 -1.55 114.58 117.62 2doa h GLU 30 Ca 0.03 -0.20 -0.23 0.00 -1.00 0.00 0.00 59.36 57.96 2doa h GLU 30 Cb 0.89 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.95 2doa h GLU 30 CO 0.07 0.94 -0.85 1.25 -1.00 0.00 0.00 179.01 179.42 2doa h LEU 31 N 1.15 0.80 -0.65 1.33 5.85 -0.80 -2.79 115.31 120.21 2doa h LEU 31 Ca 0.27 -0.56 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 2doa h LEU 31 Cb 0.19 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 2doa h LEU 31 CO -0.02 1.35 0.38 -0.07 -0.34 0.00 0.00 178.44 179.73 2doa h LEU 32 N 0.42 0.79 -0.56 2.25 3.38 -0.75 -1.11 115.31 119.73 2doa h LEU 32 Ca -0.07 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 2doa h LEU 32 Cb 1.47 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 2doa h LEU 32 CO 0.16 0.63 0.03 -0.07 0.09 0.00 0.00 178.44 179.28 2doa h LEU 33 N 0.88 0.94 -0.87 1.67 3.38 -1.32 -1.11 115.31 118.88 2doa h LEU 33 Ca 0.23 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2doa h LEU 33 Cb -0.00 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 2doa h LEU 33 CO -0.04 1.00 0.30 -0.09 0.09 0.00 0.00 178.44 179.70 2doa h ARG 34 N 0.85 1.13 -0.03 1.13 1.12 -1.19 -2.51 114.38 114.88 2doa h ARG 34 Ca 0.16 -0.20 -0.14 0.00 -1.11 0.00 0.00 59.98 58.69 2doa h ARG 34 Cb 0.50 -0.18 -0.02 0.00 -0.01 0.00 0.00 29.97 30.26 2doa h ARG 34 CO 0.02 0.92 -0.63 -0.07 -3.11 0.00 0.00 179.97 177.10 2doa h LEU 35 N 1.10 0.13 -1.85 3.80 3.38 -1.03 -3.03 115.31 117.82 2doa h LEU 35 Ca 0.25 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2doa h LEU 35 Cb 0.22 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2doa h LEU 35 CO -0.02 0.72 0.09 -0.61 0.09 0.00 0.00 178.44 178.71 2doa h GLN 36 N 0.08 0.20 -0.09 1.13 4.15 -0.75 -1.02 115.11 118.81 2doa h GLN 36 Ca -0.01 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 2doa h GLN 36 Cb 1.12 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 2doa h GLN 36 CO 0.09 0.13 0.04 0.87 -1.93 0.00 0.00 178.83 178.03 2doa h LYS 37 N 0.20 0.12 0.00 1.69 1.57 -1.41 -3.28 116.57 115.47 2doa h LYS 37 Ca 0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2doa h LYS 37 Cb -0.01 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2doa h LYS 37 CO -0.01 0.10 -0.21 -0.44 -0.57 0.00 0.00 179.45 178.32 2doa h ASP 38 N 0.12 0.00 0.00 0.86 5.19 -1.37 -3.48 116.42 117.74 2doa h ASP 38 Ca 0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 2doa h ASP 38 Cb 0.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.53 2doa h ASP 38 CO -0.00 0.36 0.00 0.61 -3.12 0.00 0.00 179.24 177.08 2doa n GLY 39 N 1.72 -1.91 3.88 2.75 0.00 -0.73 -5.01 105.19 105.89 2doa n GLY 39 Ca -0.03 0.94 -0.30 0.00 0.00 0.00 0.00 46.02 46.64 2doa n GLY 39 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2doa s LEU 40 N 0.00 3.61 0.31 0.99 2.96 -1.18 -4.94 118.68 120.43 2doa s LEU 40 Ca 0.00 1.19 -0.10 0.00 -0.22 0.00 0.00 54.13 55.00 2doa s LEU 40 Cb 0.00 -4.13 0.01 0.00 0.50 0.00 0.00 46.19 42.57 2doa s LEU 40 CO 0.00 -0.58 0.55 0.42 -1.32 0.00 0.00 176.35 175.42 2doa s THR 41 N -2.69 0.00 0.38 3.68 -4.23 -1.26 -4.95 115.64 106.57 2doa s THR 41 Ca 0.52 -1.38 0.04 0.00 -1.18 0.00 0.00 61.69 59.69 2doa s THR 41 Cb -0.10 -2.50 0.26 0.00 1.34 0.00 0.00 72.50 71.50 2doa s THR 41 CO 0.40 0.00 2.03 1.56 -0.54 0.00 0.00 174.62 178.07 2doa h GLN 42 N 2.14 0.70 -0.36 3.99 1.08 -1.99 0.27 115.11 120.95 2doa h GLN 42 Ca -0.28 -0.04 -0.13 0.00 -1.45 0.00 0.00 58.65 56.75 2doa h GLN 42 Cb 1.25 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 28.51 2doa h GLN 42 CO 0.37 0.47 -0.29 0.00 -0.95 0.00 0.00 178.83 178.43 2doa h ALA 43 N 1.66 0.51 -0.01 3.87 0.00 -2.00 -2.82 119.26 120.48 2doa h ALA 43 Ca 0.20 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 2doa h ALA 43 Cb -0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2doa h ALA 43 CO -0.04 0.54 -0.77 -0.44 0.00 0.00 0.00 179.25 178.54 2doa h ASP 44 N 0.62 0.10 0.78 0.00 3.32 -1.82 -2.59 116.42 116.83 2doa h ASP 44 Ca 0.06 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 2doa h ASP 44 Cb 0.87 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.40 2doa h ASP 44 CO 0.08 0.83 -0.37 0.11 -1.72 0.00 0.00 179.24 178.16 2doa h LYS 45 N 0.05 -1.01 -0.98 3.56 1.57 -0.42 0.12 116.57 119.46 2doa h LYS 45 Ca -0.02 0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2doa h LYS 45 Cb 1.35 0.23 -0.05 0.00 0.08 0.00 0.00 32.23 33.84 2doa h LYS 45 CO 0.11 -0.67 0.65 -0.44 -0.57 0.00 0.00 179.45 178.52 2doa h ASP 46 N -1.08 1.12 0.08 0.86 5.19 -1.61 -1.67 116.42 119.31 2doa h ASP 46 Ca -0.11 -0.03 -0.05 0.00 -0.62 0.00 0.00 57.03 56.23 2doa h ASP 46 Cb 0.80 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.03 2doa h ASP 46 CO 0.18 0.80 -0.15 0.00 -3.12 0.00 0.00 179.24 176.95 2doa h ALA 47 N 1.40 1.57 -0.15 3.45 0.00 -1.39 -2.25 119.26 121.88 2doa h ALA 47 Ca 0.36 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2doa h ALA 47 Cb -0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2doa h ALA 47 CO -0.08 0.31 -0.10 1.25 0.00 0.00 0.00 179.25 180.63 2doa h LEU 48 N 0.15 0.21 0.36 0.00 5.85 0.23 -0.73 115.31 121.37 2doa h LEU 48 Ca 0.03 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2doa h LEU 48 Cb 0.36 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.34 2doa h LEU 48 CO 0.02 0.34 -0.17 -0.78 -0.34 0.00 0.00 178.44 177.51 2doa h ASP 49 N 0.22 -0.41 0.75 1.25 1.82 -1.33 0.07 116.42 118.79 2doa h ASP 49 Ca 0.05 -0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.58 2doa h ASP 49 Cb 0.32 0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.42 2doa h ASP 49 CO 0.02 -0.27 -0.51 1.23 -1.61 0.00 0.00 179.24 178.10 2doa h GLY 50 N -0.50 0.00 1.08 -0.78 0.00 -1.58 -3.12 103.07 98.16 2doa h GLY 50 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.14 2doa h GLY 50 CO 0.08 0.00 -0.32 -2.00 0.00 0.00 0.00 176.54 174.30 2doa h LEU 51 N 0.00 0.93 0.37 3.11 6.46 -0.94 -2.82 115.31 122.42 2doa h LEU 51 Ca -0.01 -0.45 -0.02 0.00 -0.12 0.00 0.00 57.88 57.28 2doa h LEU 51 Cb 1.02 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.69 2doa h LEU 51 CO 0.07 1.19 -0.18 -0.07 -0.62 0.00 0.00 178.44 178.82 2doa h LEU 52 N 0.68 -0.42 -2.40 2.25 3.38 -0.95 0.62 115.31 118.47 2doa h LEU 52 Ca 0.07 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.06 2doa h LEU 52 Cb 0.91 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 2doa h LEU 52 CO 0.08 -0.28 0.14 1.56 0.09 0.00 0.00 178.44 180.03 2doa h GLN 53 N -0.53 0.00 0.00 1.13 4.20 -1.59 0.86 115.11 119.19 2doa h GLN 53 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2doa h GLN 53 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2doa h GLN 53 CO 0.08 0.00 -0.36 0.37 -0.67 0.00 0.00 178.83 178.25 2doa h GLN 54 N 0.00 0.00 -1.10 1.46 4.15 -1.11 -3.40 115.11 115.11 2doa h GLN 54 Ca 0.04 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.90 2doa h GLN 54 Cb 0.32 0.00 -0.26 0.00 0.21 0.00 0.00 27.48 27.75 2doa h GLN 54 CO -0.00 0.00 0.72 1.33 -1.93 0.00 0.00 178.83 178.95 2doa n VAL 55 N -4.10 3.31 -3.61 2.39 0.24 0.21 -4.92 118.33 111.85 2doa n VAL 55 Ca -0.05 -2.40 -0.02 0.00 -2.04 0.00 0.00 64.34 59.83 2doa n VAL 55 Cb 0.19 -1.04 -0.01 0.00 -1.47 0.00 0.00 33.84 31.50 2doa n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2doa s ALA 56 N -3.24 -2.09 -0.26 2.33 0.00 0.30 -4.64 121.76 114.16 2doa s ALA 56 Ca 0.55 1.10 0.01 0.00 0.00 0.00 0.00 51.96 53.63 2doa s ALA 56 Cb 0.44 0.16 0.05 0.00 0.00 0.00 0.00 23.12 23.77 2doa s ALA 56 CO 0.02 -0.81 -0.09 -0.80 0.00 0.00 0.00 175.76 174.08 2doa s ASN 57 N -2.57 4.45 0.44 0.00 0.01 0.57 -4.11 114.94 113.74 2doa s ASN 57 Ca 0.11 -1.29 -0.19 0.00 -0.71 0.00 0.00 52.86 50.79 2doa s ASN 57 Cb 0.01 -1.59 -0.10 0.00 0.41 0.00 0.00 41.25 39.98 2doa s ASN 57 CO -0.04 -0.19 0.94 -0.32 -1.51 0.00 0.00 177.10 175.98 2doa s MET 58 N 1.16 4.12 0.01 -0.60 -2.45 -1.26 -1.22 119.30 119.07 2doa s MET 58 Ca -0.07 1.02 -0.08 0.00 -1.25 0.00 0.00 55.69 55.32 2doa s MET 58 Cb -0.19 -2.19 -0.05 0.00 1.25 0.00 0.00 34.83 33.65 2doa s MET 58 CO -0.05 -0.08 0.29 0.45 1.05 0.00 0.00 175.02 176.68 2doa s SER 59 N -2.46 6.54 -0.51 1.11 0.15 -0.17 -4.92 113.70 113.43 2doa s SER 59 Ca 0.60 0.62 0.02 0.00 0.70 0.00 0.00 55.95 57.90 2doa s SER 59 Cb -0.09 -2.12 0.60 0.00 -1.71 0.00 0.00 66.02 62.70 2doa s SER 59 CO 0.19 0.26 1.93 0.00 1.20 0.00 0.00 173.24 176.82 2doa n ALA 60 N 1.21 5.78 0.00 5.45 0.00 -1.26 -3.76 120.51 127.93 2doa n ALA 60 Ca -0.12 -3.08 0.00 0.00 0.00 0.00 0.00 53.44 50.25 2doa n ALA 60 Cb 0.53 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.47 2doa n ALA 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2doa n LYS 61 N -1.08 0.00 -0.03 0.00 4.81 -1.26 -5.00 118.16 115.60 2doa n LYS 61 Ca 0.60 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.96 2doa n LYS 61 Cb 1.37 -0.10 -0.03 0.00 0.02 0.00 0.00 35.03 36.30 2doa n LYS 61 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2doa n ASP 62 N -2.54 1.06 0.00 3.14 8.00 -1.26 -5.07 116.55 119.87 2doa n ASP 62 Ca 0.00 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.67 2doa n ASP 62 Cb 0.08 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 2doa n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2doa n GLY 63 N 2.52 0.70 3.81 0.44 0.00 -1.25 -5.03 105.19 106.38 2doa n GLY 63 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 2doa n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2doa s THR 64 N -1.27 5.25 -0.30 2.61 2.01 -1.26 -3.41 115.64 119.26 2doa s THR 64 Ca 0.00 0.11 -0.05 0.00 0.31 0.00 0.00 61.69 62.06 2doa s THR 64 Cb 0.00 -3.29 0.03 0.00 0.01 0.00 0.00 72.50 69.25 2doa s THR 64 CO 0.00 0.59 0.05 0.00 -0.69 0.00 0.00 174.62 174.57 2doa s THR 66 N 1.40 2.33 0.01 0.00 -4.23 -0.36 -1.96 115.64 112.82 2doa s THR 66 Ca -0.01 -0.92 -0.01 0.00 -1.18 0.00 0.00 61.69 59.57 2doa s THR 66 Cb -0.18 -2.41 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 2doa s THR 66 CO 0.01 0.00 0.12 -0.22 -0.54 0.00 0.00 174.62 173.99 2doa s LEU 67 N -4.68 4.08 0.46 4.79 2.96 -1.26 -0.31 118.68 124.71 2doa s LEU 67 Ca 0.61 0.21 -0.21 0.00 -0.22 0.00 0.00 54.13 54.52 2doa s LEU 67 Cb -0.07 -2.46 -0.10 0.00 0.50 0.00 0.00 46.19 44.07 2doa s LEU 67 CO 0.39 0.25 0.99 -1.10 -1.32 0.00 0.00 176.35 175.56 2doa s GLN 68 N -1.93 4.02 0.54 1.98 -0.21 -1.26 -4.87 119.66 117.92 2doa s GLN 68 Ca 0.26 1.23 0.20 0.00 0.02 0.00 0.00 55.36 57.07 2doa s GLN 68 Cb -0.12 -2.14 1.39 0.00 1.00 0.00 0.00 33.01 33.13 2doa s GLN 68 CO 0.17 -0.23 2.14 -0.44 -2.12 0.00 0.00 175.29 174.81 2doa h ASP 69 N 1.72 0.00 0.14 5.90 3.32 -1.99 -2.19 116.42 123.33 2doa h ASP 69 Ca -0.49 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.35 2doa h ASP 69 Cb 1.20 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.77 2doa h ASP 69 CO 0.60 0.00 -0.95 0.00 -1.72 0.00 0.00 179.24 177.17 2doa h MET 71 N -0.35 0.00 -0.34 0.00 2.86 -1.83 -1.21 114.93 114.07 2doa h MET 71 Ca -0.18 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.55 2doa h MET 71 Cb 1.68 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.33 2doa h MET 71 CO 0.14 0.00 0.24 1.88 1.06 0.00 0.00 176.91 180.23 2doa h TYR 72 N 0.00 0.04 -0.65 -0.22 0.05 -1.49 -0.89 116.97 113.81 2doa h TYR 72 Ca 0.04 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.75 2doa h TYR 72 Cb 0.24 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 2doa h TYR 72 CO 0.00 0.02 0.12 0.87 -1.05 0.00 0.00 178.16 178.12 2doa h LYS 73 N 0.04 1.06 0.00 4.88 1.79 -1.41 -2.43 116.57 120.50 2doa h LYS 73 Ca 0.16 -0.27 -0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2doa h LYS 73 Cb 0.59 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.11 2doa h LYS 73 CO -0.01 0.96 -0.00 -0.44 -1.08 0.00 0.00 179.45 178.88 2doa h ASP 74 N 1.00 0.00 -3.87 0.86 5.19 -1.30 -3.43 116.42 114.87 2doa h ASP 74 Ca 0.20 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 56.05 2doa h ASP 74 Cb 0.41 0.00 0.16 0.00 0.18 0.00 0.00 39.33 40.08 2doa h ASP 74 CO 0.01 0.00 0.31 0.52 -3.12 0.00 0.00 179.24 176.96 2doa n VAL 75 N -4.40 4.20 -4.27 -1.35 0.31 -0.92 -5.03 118.33 106.88 2doa n VAL 75 Ca -0.03 -0.48 -0.24 0.00 -0.01 0.00 0.00 64.34 63.58 2doa n VAL 75 Cb 0.09 -1.30 -0.08 0.00 -0.91 0.00 0.00 33.84 31.64 2doa n VAL 75 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2doa s GLN 76 N -3.15 2.16 -0.40 5.55 -0.21 -1.26 -5.04 119.66 117.31 2doa s GLN 76 Ca 0.79 -1.67 0.06 0.00 0.02 0.00 0.00 55.36 54.55 2doa s GLN 76 Cb -0.39 -2.01 0.57 0.00 1.00 0.00 0.00 33.01 32.19 2doa s GLN 76 CO 0.44 0.15 1.70 1.63 -2.12 0.00 0.00 175.29 177.09 2doa n LYS 77 N -1.00 2.17 -1.28 2.91 5.02 -1.26 -4.36 118.16 120.36 2doa n LYS 77 Ca -0.04 -3.18 0.02 0.00 -2.02 0.00 0.00 58.31 53.09 2doa n LYS 77 Cb 0.62 -2.04 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 2doa n LYS 77 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2doa n ASP 78 N -1.10 0.51 -4.62 4.39 2.03 -1.26 -5.08 116.55 111.43 2doa n ASP 78 Ca 0.48 -1.97 -0.43 0.00 0.52 0.00 0.00 54.79 53.39 2doa n ASP 78 Cb 1.27 -0.17 -0.02 0.00 -0.72 0.00 0.00 41.12 41.47 2doa n ASP 78 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 2doa s TRP 79 N 0.00 2.09 0.62 -0.67 -0.11 -1.26 -4.86 118.94 114.75 2doa s TRP 79 Ca 0.24 0.60 0.29 0.00 1.22 0.00 0.00 56.10 58.44 2doa s TRP 79 Cb 0.27 -4.06 1.54 0.00 -1.50 0.00 0.00 33.47 29.72 2doa s TRP 79 CO -0.12 -2.76 1.92 -1.35 -4.62 0.00 0.00 176.95 170.02 2doa h PRO 80 N 11.21 0.00 -0.21 5.86 0.11 -1.98 -2.09 132.00 144.90 2doa h PRO 80 Ca -0.32 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.82 2doa h PRO 80 Cb 1.15 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2doa h PRO 80 CO 1.02 0.00 0.01 0.78 -0.21 0.00 0.00 178.00 179.60 2doa h GLY 81 N 0.00 0.21 -0.91 -0.55 0.00 -1.89 -3.43 103.07 96.50 2doa h GLY 81 Ca 0.12 0.01 -0.44 0.00 0.00 0.00 0.00 47.33 47.02 2doa h GLY 81 CO -0.00 -0.03 0.15 -0.19 0.00 0.00 0.00 176.54 176.46 2doa s TYR 82 N -6.19 1.82 0.12 5.60 2.02 -0.79 -5.02 117.35 114.92 2doa s TYR 82 Ca -0.13 0.96 0.00 0.00 -0.37 0.00 0.00 57.07 57.53 2doa s TYR 82 Cb 0.10 -3.25 0.00 0.00 -0.40 0.00 0.00 41.96 38.41 2doa s TYR 82 CO 0.69 -3.21 0.00 0.45 -1.57 0.00 0.00 175.55 171.91 2doa n SER 83 N -4.40 -0.12 0.06 2.29 2.88 -1.26 -4.96 113.62 108.12 2doa n SER 83 Ca 0.05 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2doa n SER 83 Cb 0.57 0.22 0.00 0.00 -0.75 0.00 0.00 64.21 64.25 2doa n SER 83 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2doa n GLU 84 N -2.90 0.00 -0.09 -1.46 4.71 -1.26 -4.76 120.64 114.88 2doa n GLU 84 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.07 2doa n GLU 84 Cb 0.00 -0.01 -0.01 0.00 -1.01 0.00 0.00 31.44 30.41 2doa n GLU 84 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 2doa h GLY 85 N 0.00 0.42 1.01 0.62 0.00 -1.99 -0.46 103.07 102.67 2doa h GLY 85 Ca 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 2doa h GLY 85 CO 0.00 0.12 0.41 -0.55 0.00 0.00 0.00 176.54 176.52 2doa h ASP 86 N 0.36 0.94 -0.36 0.19 3.32 -1.96 -0.26 116.42 118.64 2doa h ASP 86 Ca 0.12 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 2doa h ASP 86 Cb 0.00 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 2doa h ASP 86 CO -0.06 0.77 0.13 1.56 -1.72 0.00 0.00 179.24 179.92 2doa h GLN 87 N 1.04 0.54 -0.08 3.56 4.20 -1.78 0.20 115.11 122.80 2doa h GLN 87 Ca 0.26 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 2doa h GLN 87 Cb 0.04 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 2doa h GLN 87 CO -0.04 0.53 0.02 1.96 -0.67 0.00 0.00 178.83 180.64 2doa h GLN 88 N 0.43 0.12 -0.43 1.46 4.20 -0.84 -2.65 115.11 117.40 2doa h GLN 88 Ca 0.12 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2doa h GLN 88 Cb 0.20 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 2doa h GLN 88 CO -0.01 0.27 0.28 1.25 -0.67 0.00 0.00 178.83 179.95 2doa h LEU 89 N -0.06 0.49 -1.90 1.46 5.85 -0.98 -1.99 115.31 118.17 2doa h LEU 89 Ca 0.02 -0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.84 2doa h LEU 89 Cb 0.20 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2doa h LEU 89 CO -0.00 0.36 0.34 0.25 -0.34 0.00 0.00 178.44 179.05 2doa h LEU 90 N 0.57 0.10 0.63 2.25 5.85 -0.88 -0.98 115.31 122.86 2doa h LEU 90 Ca 0.16 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2doa h LEU 90 Cb -0.06 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 40.96 2doa h LEU 90 CO -0.03 0.06 -0.30 0.11 -0.34 0.00 0.00 178.44 177.93 2doa h LYS 91 N 0.11 -0.82 -0.90 1.25 1.57 -0.99 -0.21 116.57 116.58 2doa h LYS 91 Ca 0.23 0.06 0.08 0.00 -1.87 0.00 0.00 60.65 59.14 2doa h LYS 91 Cb 0.76 0.19 -0.06 0.00 0.08 0.00 0.00 32.23 33.20 2doa h LYS 91 CO -0.03 -0.55 0.59 0.07 -0.57 0.00 0.00 179.45 178.97 2doa h ARG 92 N -1.07 0.95 -0.10 3.15 0.11 -1.36 -2.07 114.38 113.99 2doa h ARG 92 Ca -0.09 -0.06 -0.01 0.00 0.10 0.00 0.00 59.98 59.92 2doa h ARG 92 Cb 0.65 -0.21 -0.00 0.00 1.11 0.00 0.00 29.97 31.51 2doa h ARG 92 CO 0.14 0.63 0.02 0.28 0.10 0.00 0.00 179.97 181.14 2doa h VAL 93 N 0.98 1.21 0.36 0.08 2.07 -1.18 -2.19 116.25 117.57 2doa h VAL 93 Ca 0.40 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 2doa h VAL 93 Cb 0.28 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 2doa h VAL 93 CO -0.16 0.19 -0.38 -0.07 0.02 0.00 0.00 177.57 177.17 2doa h LEU 94 N -0.07 -1.03 -2.10 2.57 3.38 -0.54 -0.99 115.31 116.53 2doa h LEU 94 Ca 0.03 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.17 2doa h LEU 94 Cb 0.28 0.35 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2doa h LEU 94 CO 0.00 -0.52 0.25 0.58 0.09 0.00 0.00 178.44 178.84 2doa h VAL 95 N -0.76 0.63 -0.04 1.22 2.07 -1.43 0.15 116.25 118.09 2doa h VAL 95 Ca -0.02 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.30 2doa h VAL 95 Cb 0.69 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2doa h VAL 95 CO -0.08 0.00 -0.80 -0.09 0.02 0.00 0.00 177.57 176.62 2doa h ARG 96 N 0.00 0.32 0.15 1.57 9.65 -0.63 0.85 114.38 126.29 2doa h ARG 96 Ca 0.13 -0.30 -0.21 0.00 -1.10 0.00 0.00 59.98 58.50 2doa h ARG 96 Cb 0.62 0.07 0.02 0.00 -1.39 0.00 0.00 29.97 29.30 2doa h ARG 96 CO -0.00 0.97 -0.96 0.87 2.80 0.00 0.00 179.97 183.65 2doa h LYS 97 N 0.20 0.31 0.21 0.20 1.79 0.26 -3.40 116.57 116.15 2doa h LYS 97 Ca -0.04 -0.53 -0.01 0.00 -2.18 0.00 0.00 60.65 57.89 2doa h LYS 97 Cb 1.40 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 32.25 2doa h LYS 97 CO 0.13 1.25 -0.10 -0.07 -1.08 0.00 0.00 179.45 179.58 2doa h LEU 98 N -0.33 -0.24-10.32 2.94 3.38 -0.88 -3.47 115.31 106.39 2doa h LEU 98 Ca -0.18 0.01 -0.45 0.00 0.09 0.00 0.00 57.88 57.36 2doa h LEU 98 Cb 1.70 0.06 0.01 0.00 0.09 0.00 0.00 40.66 42.52 2doa h LEU 98 CO 0.15 0.20 -0.28 -0.55 0.09 0.00 0.00 178.44 178.05 2doa s SER 99 N -5.08 5.96 0.00 -0.43 0.15 0.29 -4.89 113.70 109.70 2doa s SER 99 Ca -0.04 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.58 2doa s SER 99 Cb 0.00 -1.37 0.00 0.00 -1.71 0.00 0.00 66.02 62.95 2doa s SER 99 CO 0.13 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.69 2doa n GLY 100 N -1.75 0.30 0.25 9.45 0.00 -1.26 -4.00 105.19 108.17 2doa n GLY 100 Ca -0.00 -0.49 0.02 0.00 0.00 0.00 0.00 46.02 45.54 2doa n GLY 100 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2doa h PRO 101 N 0.00 0.35 -5.02 1.61 0.11 -1.92 -3.44 132.00 123.69 2doa h PRO 101 Ca 0.00 -0.02 -0.42 0.00 0.11 0.00 0.00 66.00 65.67 2doa h PRO 101 Cb 0.11 -0.08 -0.14 0.00 0.11 0.00 0.00 31.00 31.00 2doa h PRO 101 CO 0.00 0.23 -0.59 -1.12 -0.21 0.00 0.00 178.00 176.31 2doa s SER 102 N -5.34 1.83 0.16 -2.05 0.01 -1.26 -5.10 113.70 101.95 2doa s SER 102 Ca -0.13 -1.44 0.00 0.00 1.31 0.00 0.00 55.95 55.70 2doa s SER 102 Cb 0.18 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.56 2doa s SER 102 CO 0.75 -0.73 0.00 -1.20 0.41 0.00 0.00 173.24 172.47 2doa n SER 103 N -0.69 0.34 0.00 2.44 7.64 -1.26 -5.21 113.62 116.88 2doa n SER 103 Ca -0.01 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2doa n SER 103 Cb 0.66 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.91 2doa n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64