#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 -1.26 1.61 7.64 -1.26 -4.91 113.62 115.44 2doa n SER 2 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 2doa n SER 2 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2doa n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2doa n SER 3 N 1.50 -7.48 -1.25 6.43 2.88 -1.26 -4.77 113.62 109.67 2doa n SER 3 Ca 0.00 0.93 0.01 0.00 -1.33 0.00 0.00 58.87 58.48 2doa n SER 3 Cb 0.00 -2.61 0.00 0.00 -0.75 0.00 0.00 64.21 60.85 2doa n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2doa n GLY 4 N -2.53 0.85 0.12 0.46 0.00 -1.26 -4.93 105.19 97.90 2doa n GLY 4 Ca 0.01 -0.57 -0.03 0.00 0.00 0.00 0.00 46.02 45.43 2doa n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2doa h SER 5 N 0.67 -0.18 -3.96 1.61 0.02 -2.02 -3.47 113.55 106.22 2doa h SER 5 Ca -0.25 -0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.47 2doa h SER 5 Cb 1.72 0.05 -0.27 0.00 0.14 0.00 0.00 62.40 64.04 2doa h SER 5 CO 0.02 0.30 -0.71 -0.44 -1.14 0.00 0.00 176.83 174.86 2doa s SER 6 N -5.32 0.04 0.00 3.07 0.01 -1.26 -5.15 113.70 105.08 2doa s SER 6 Ca -0.03 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2doa s SER 6 Cb 0.00 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.26 2doa s SER 6 CO 0.10 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.30 2doa n GLY 7 N 2.81 1.38 0.13 3.44 0.00 -1.26 -5.04 105.19 106.64 2doa n GLY 7 Ca -0.14 -0.77 -0.17 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.34 1.36 0.09 1.61 0.31 -1.26 -4.29 118.33 115.80 2doa n VAL 8 Ca 0.00 -0.51 0.04 0.00 -0.01 0.00 0.00 64.34 63.87 2doa n VAL 8 Cb 0.00 -1.38 0.46 0.00 -0.91 0.00 0.00 33.84 32.02 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 -0.07 0.31 -0.19 4.52 0.02 -1.95 -2.59 113.55 113.59 2doa h SER 9 Ca -0.54 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.38 2doa h SER 9 Cb 1.80 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 64.25 2doa h SER 9 CO -0.11 0.28 0.06 1.56 -1.14 0.00 0.00 176.83 177.49 2doa h GLN 10 N 0.35 0.30 -7.09 3.45 1.08 -1.97 -3.44 115.11 107.79 2doa h GLN 10 Ca 0.09 -0.06 -0.56 0.00 -1.45 0.00 0.00 58.65 56.67 2doa h GLN 10 Cb 0.06 -0.04 0.15 0.00 -0.05 0.00 0.00 27.48 27.60 2doa h GLN 10 CO -0.01 0.39 0.55 1.03 -0.95 0.00 0.00 178.83 179.84 2doa s ARG 11 N -5.44 2.71 1.10 1.46 1.81 -0.98 -4.97 118.95 114.65 2doa s ARG 11 Ca -0.14 2.13 -0.17 0.00 -1.72 0.00 0.00 55.73 55.83 2doa s ARG 11 Cb 0.07 -1.96 0.16 0.00 -0.45 0.00 0.00 34.95 32.76 2doa s ARG 11 CO 0.71 -1.49 0.20 -2.30 -0.68 0.00 0.00 175.30 171.74 2doa n PRO 12 N -1.65 -2.19 0.04 3.54 -0.02 -1.26 -4.89 135.00 128.56 2doa n PRO 12 Ca 0.14 -0.64 -0.08 0.00 -2.02 0.00 0.00 63.50 60.90 2doa n PRO 12 Cb 0.47 -1.60 -0.13 0.00 -0.02 0.00 0.00 33.50 32.22 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 -2.49 0.03 -0.72 6.00 3.57 -1.93 -3.27 116.94 118.13 2doa h PHE 13 Ca -0.39 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.02 2doa h PHE 13 Cb 1.08 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 2doa h PHE 13 CO -1.66 1.02 0.19 -0.09 -2.23 0.00 0.00 178.31 175.54 2doa h ARG 14 N 0.00 1.14 -0.09 1.11 2.43 -2.00 -2.44 114.38 114.54 2doa h ARG 14 Ca -0.10 -0.26 -0.08 0.00 -0.81 0.00 0.00 59.98 58.72 2doa h ARG 14 Cb 1.86 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 31.24 2doa h ARG 14 CO 0.12 0.99 -0.32 -0.44 -1.51 0.00 0.00 179.97 178.81 2doa h ASP 15 N 1.08 0.17 0.09 -3.80 5.19 -1.93 0.28 116.42 117.50 2doa h ASP 15 Ca 0.23 -0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.58 2doa h ASP 15 Cb 0.35 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.82 2doa h ASP 15 CO -0.00 0.49 -0.04 0.03 -3.12 0.00 0.00 179.24 176.60 2doa h ARG 16 N 0.15 -0.11 -0.14 3.56 3.08 -1.51 -2.03 114.38 117.38 2doa h ARG 16 Ca 0.02 0.01 -0.13 0.00 0.07 0.00 0.00 59.98 59.94 2doa h ARG 16 Cb 0.65 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 2doa h ARG 16 CO 0.05 0.24 -0.49 0.28 -1.07 0.00 0.00 179.97 178.98 2doa h VAL 17 N -0.48 1.33 -0.12 2.04 2.07 -1.40 -1.52 116.25 118.18 2doa h VAL 17 Ca -0.01 -1.72 -0.06 0.00 0.82 0.00 0.00 66.70 65.73 2doa h VAL 17 Cb 0.40 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 2doa h VAL 17 CO 0.02 0.52 -0.19 0.25 0.02 0.00 0.00 177.57 178.19 2doa h LEU 18 N 0.30 0.18 0.08 2.57 5.85 -0.93 -2.21 115.31 121.15 2doa h LEU 18 Ca 0.01 -0.04 -0.29 0.00 0.84 0.00 0.00 57.88 58.40 2doa h LEU 18 Cb 0.97 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 2doa h LEU 18 CO 0.08 0.40 -1.47 0.45 -0.34 0.00 0.00 178.44 177.56 2doa h HIS 19 N 0.18 0.29 0.69 1.25 3.86 -1.19 -3.13 115.15 117.10 2doa h HIS 19 Ca 0.03 -0.21 -0.03 0.00 -1.16 0.00 0.00 60.37 59.00 2doa h HIS 19 Cb 0.45 -0.01 0.01 0.00 1.06 0.00 0.00 27.41 28.92 2doa h HIS 19 CO 0.01 1.25 -0.33 -0.07 0.86 0.00 0.00 177.93 179.65 2doa h LEU 20 N 0.04 -0.78 -1.98 2.43 3.38 -1.04 -2.83 115.31 114.54 2doa h LEU 20 Ca -0.21 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2doa h LEU 20 Cb 1.97 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.92 2doa h LEU 20 CO 0.14 -0.49 -0.06 -0.07 0.09 0.00 0.00 178.44 178.05 2doa h LEU 21 N -1.03 0.00 -1.39 1.67 3.38 -1.58 -2.03 115.31 114.32 2doa h LEU 21 Ca -0.09 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.94 2doa h LEU 21 Cb 0.73 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 2doa h LEU 21 CO 0.15 0.06 0.47 0.00 0.09 0.00 0.00 178.44 179.21 2doa h ALA 22 N 1.94 1.71 0.27 1.53 0.00 -1.44 -3.07 119.26 120.19 2doa h ALA 22 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2doa h ALA 22 Cb 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2doa h ALA 22 CO 0.01 0.19 -0.13 -0.07 0.00 0.00 0.00 179.25 179.25 2doa h LEU 23 N 0.74 -0.30 -7.28 0.00 3.38 -1.25 -3.47 115.31 107.13 2doa h LEU 23 Ca 0.30 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 2doa h LEU 23 Cb 0.24 0.08 -0.12 0.00 0.09 0.00 0.00 40.66 40.95 2doa h LEU 23 CO -0.10 0.16 0.04 0.00 0.09 0.00 0.00 178.44 178.63 2doa s ARG 24 N -2.80 1.17 0.52 1.13 1.70 -1.16 -4.97 118.95 114.54 2doa s ARG 24 Ca -0.06 -0.64 -0.20 0.00 -0.47 0.00 0.00 55.73 54.36 2doa s ARG 24 Cb 0.01 0.52 -0.09 0.00 -0.57 0.00 0.00 34.95 34.82 2doa s ARG 24 CO 0.19 -0.48 0.78 -2.30 -1.08 0.00 0.00 175.30 172.41 2doa n PRO 25 N -0.29 0.86 -3.37 3.89 -0.02 -1.26 -4.23 135.00 130.57 2doa n PRO 25 Ca -0.16 0.32 -0.14 0.00 -2.02 0.00 0.00 63.50 61.51 2doa n PRO 25 Cb 0.64 -1.90 -0.08 0.00 -0.02 0.00 0.00 33.50 32.14 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 -1.50 -0.67 1.32 6.00 2.02 -1.16 -4.95 117.35 118.41 2doa s TYR 26 Ca 0.68 0.15 -0.18 0.00 -0.37 0.00 0.00 57.07 57.35 2doa s TYR 26 Cb -0.49 -0.29 0.33 0.00 -0.40 0.00 0.00 41.96 41.11 2doa s TYR 26 CO 0.54 -0.89 0.88 0.54 -1.57 0.00 0.00 175.55 175.05 2doa n ARG 27 N 5.33 -3.61 -0.01 -0.62 1.74 -1.26 -3.05 116.66 115.19 2doa n ARG 27 Ca -0.02 -1.05 -0.11 0.00 -0.77 0.00 0.00 57.85 55.91 2doa n ARG 27 Cb 0.48 -2.01 -0.05 0.00 -1.02 0.00 0.00 32.46 29.86 2doa n ARG 27 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2doa h LYS 28 N -3.14 0.17 -0.01 5.56 1.57 -1.96 0.35 116.57 119.10 2doa h LYS 28 Ca -0.52 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.09 2doa h LYS 28 Cb 1.32 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 2doa h LYS 28 CO 0.37 0.12 -0.74 0.00 -0.57 0.00 0.00 179.45 178.62 2doa h ALA 29 N 1.04 0.73 -0.03 3.86 0.00 -1.95 0.47 119.26 123.38 2doa h ALA 29 Ca 0.05 -0.65 -0.14 0.00 0.00 0.00 0.00 54.91 54.16 2doa h ALA 29 Cb -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2doa h ALA 29 CO -0.01 0.87 -0.63 0.93 0.00 0.00 0.00 179.25 180.41 2doa h GLU 30 N 0.06 0.12 0.05 0.00 5.08 -1.82 -2.79 114.58 115.29 2doa h GLU 30 Ca -0.02 -0.09 -0.31 0.00 -1.00 0.00 0.00 59.36 57.95 2doa h GLU 30 Cb 1.31 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 2doa h GLU 30 CO 0.11 0.71 -1.70 1.25 -1.00 0.00 0.00 179.01 178.38 2doa h LEU 31 N 0.09 0.17 0.31 1.33 5.85 -0.26 -3.27 115.31 119.53 2doa h LEU 31 Ca -0.01 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 2doa h LEU 31 Cb 1.13 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2doa h LEU 31 CO 0.09 1.29 -0.15 -0.07 -0.34 0.00 0.00 178.44 179.26 2doa h LEU 32 N 0.03 -0.35 -1.78 2.25 3.38 -0.91 -0.75 115.31 117.18 2doa h LEU 32 Ca -0.29 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 2doa h LEU 32 Cb 2.00 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.84 2doa h LEU 32 CO 0.10 -0.20 0.05 -0.07 0.09 0.00 0.00 178.44 178.41 2doa h LEU 33 N -0.48 0.17 0.44 1.67 3.38 -1.67 -0.97 115.31 117.84 2doa h LEU 33 Ca -0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2doa h LEU 33 Cb 0.36 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2doa h LEU 33 CO 0.07 0.16 -0.21 0.03 0.09 0.00 0.00 178.44 178.58 2doa h ARG 34 N 0.19 -0.57 -0.13 1.13 2.47 -1.52 -3.08 114.38 112.88 2doa h ARG 34 Ca 0.05 0.04 0.01 0.00 -1.26 0.00 0.00 59.98 58.82 2doa h ARG 34 Cb 0.05 0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 2doa h ARG 34 CO -0.01 -0.26 0.09 -0.07 0.56 0.00 0.00 179.97 180.28 2doa h LEU 35 N -0.99 0.10 -1.77 3.04 3.38 -0.98 -1.06 115.31 117.03 2doa h LEU 35 Ca -0.06 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2doa h LEU 35 Cb 0.56 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2doa h LEU 35 CO 0.10 0.07 0.02 -0.61 0.09 0.00 0.00 178.44 178.12 2doa h GLN 36 N 0.12 0.16 -0.37 1.13 -0.00 -1.14 0.78 115.11 115.80 2doa h GLN 36 Ca 0.06 -0.02 -0.12 0.00 -0.00 0.00 0.00 58.65 58.57 2doa h GLN 36 Cb 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.51 2doa h GLN 36 CO -0.01 0.16 -0.27 0.87 0.00 0.00 0.00 178.83 179.58 2doa h LYS 37 N 0.17 0.77 0.02 1.69 1.57 -1.10 -3.19 116.57 116.51 2doa h LYS 37 Ca 0.04 -0.34 -0.29 0.00 -1.87 0.00 0.00 60.65 58.20 2doa h LYS 37 Cb 0.08 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 2doa h LYS 37 CO -0.00 0.95 -1.60 -0.44 -0.57 0.00 0.00 179.45 177.79 2doa h ASP 38 N 0.66 0.08 0.00 0.86 3.32 -1.38 -3.49 116.42 116.48 2doa h ASP 38 Ca 0.08 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2doa h ASP 38 Cb 0.79 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.32 2doa h ASP 38 CO 0.07 1.13 0.00 0.61 -1.72 0.00 0.00 179.24 179.33 2doa n GLY 39 N 1.57 1.44 2.86 2.75 0.00 0.27 -4.98 105.19 109.11 2doa n GLY 39 Ca -0.15 0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 2.86 0.00 0.99 2.96 -1.14 -4.74 118.68 119.61 2doa s LEU 40 Ca 0.00 -1.57 -0.13 0.00 -0.22 0.00 0.00 54.13 52.21 2doa s LEU 40 Cb 0.00 -1.12 0.18 0.00 0.50 0.00 0.00 46.19 45.75 2doa s LEU 40 CO 0.00 -0.35 0.89 0.35 -1.32 0.00 0.00 176.35 175.92 2doa n THR 41 N 4.67 0.00 -0.01 3.68 -2.24 -1.26 -4.80 114.28 114.32 2doa n THR 41 Ca -0.04 -0.57 -0.09 0.00 -2.27 0.00 0.00 64.05 61.08 2doa n THR 41 Cb 0.43 -1.47 0.07 0.00 -2.10 0.00 0.00 70.33 67.26 2doa n THR 41 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2doa h GLN 42 N 0.00 0.59 -0.21 -0.78 -0.00 -2.00 -1.24 115.11 111.48 2doa h GLN 42 Ca -0.30 -0.34 -0.11 0.00 -0.00 0.00 0.00 58.65 57.90 2doa h GLN 42 Cb 0.87 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 28.36 2doa h GLN 42 CO 0.21 0.94 -0.35 0.00 0.00 0.00 0.00 178.83 179.63 2doa h ALA 43 N 1.01 1.02 0.00 3.38 0.00 -2.01 -2.94 119.26 119.72 2doa h ALA 43 Ca 0.03 -0.39 -0.19 0.00 0.00 0.00 0.00 54.91 54.35 2doa h ALA 43 Cb 1.00 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2doa h ALA 43 CO 0.09 0.59 -0.92 -0.44 0.00 0.00 0.00 179.25 178.57 2doa h ASP 44 N 0.37 0.00 -0.74 0.00 3.32 -1.89 -2.04 116.42 115.44 2doa h ASP 44 Ca 0.04 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.12 2doa h ASP 44 Cb 0.79 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.29 2doa h ASP 44 CO 0.06 0.92 0.47 0.50 -1.72 0.00 0.00 179.24 179.47 2doa h LYS 45 N 0.00 0.89 0.16 3.56 3.64 -1.04 -0.06 116.57 123.72 2doa h LYS 45 Ca -0.01 -0.05 -0.34 0.00 -1.27 0.00 0.00 60.65 58.98 2doa h LYS 45 Cb 1.68 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 2doa h LYS 45 CO 0.12 0.59 -1.70 0.22 -2.27 0.00 0.00 179.45 176.42 2doa h ASP 46 N 0.92 0.54 -0.06 4.20 1.82 -1.61 -3.33 116.42 118.90 2doa h ASP 46 Ca 0.29 -0.81 0.01 0.00 -0.39 0.00 0.00 57.03 56.14 2doa h ASP 46 Cb 0.01 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 39.84 2doa h ASP 46 CO -0.11 1.68 0.04 0.00 -1.61 0.00 0.00 179.24 179.24 2doa h ALA 47 N 0.24 2.02 -0.59 -0.78 0.00 -1.22 -2.17 119.26 116.77 2doa h ALA 47 Ca -0.32 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.61 2doa h ALA 47 Cb 2.08 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.83 2doa h ALA 47 CO 0.17 -0.04 0.37 1.25 0.00 0.00 0.00 179.25 181.01 2doa h LEU 48 N 0.02 0.63 -0.32 0.00 5.85 -1.11 0.38 115.31 120.76 2doa h LEU 48 Ca 0.03 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.75 2doa h LEU 48 Cb 0.07 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2doa h LEU 48 CO -0.00 0.45 0.20 -0.78 -0.34 0.00 0.00 178.44 177.97 2doa h ASP 49 N 0.75 0.34 -0.24 1.25 1.82 -1.56 0.36 116.42 119.15 2doa h ASP 49 Ca 0.23 -0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.73 2doa h ASP 49 Cb -0.03 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 39.90 2doa h ASP 49 CO -0.08 0.25 -0.38 1.23 -1.61 0.00 0.00 179.24 178.65 2doa h GLY 50 N 0.41 0.74 0.95 -0.78 0.00 -1.44 -2.67 103.07 100.28 2doa h GLY 50 Ca 0.12 -0.84 -0.06 0.00 0.00 0.00 0.00 47.33 46.56 2doa h GLY 50 CO -0.04 0.75 0.05 -2.00 0.00 0.00 0.00 176.54 175.30 2doa h LEU 51 N 0.39 0.70 -0.45 3.11 5.85 -0.11 -3.06 115.31 121.74 2doa h LEU 51 Ca 0.02 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.48 2doa h LEU 51 Cb 0.97 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 2doa h LEU 51 CO 0.09 0.80 0.26 -0.07 -0.34 0.00 0.00 178.44 179.18 2doa h LEU 52 N 0.57 0.42 -2.41 2.25 3.38 -0.31 0.44 115.31 119.64 2doa h LEU 52 Ca 0.13 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.13 2doa h LEU 52 Cb 0.41 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2doa h LEU 52 CO 0.01 0.30 0.16 1.56 0.09 0.00 0.00 178.44 180.56 2doa h GLN 53 N 0.52 0.00 0.01 1.13 4.20 -1.38 0.87 115.11 120.46 2doa h GLN 53 Ca 0.18 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.51 2doa h GLN 53 Cb 0.02 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.75 2doa h GLN 53 CO -0.09 0.00 -2.15 1.04 -0.67 0.00 0.00 178.83 176.97 2doa n GLN 54 N -3.38 0.61 -1.03 1.46 6.02 -0.40 -4.40 117.38 116.27 2doa n GLN 54 Ca -0.01 0.33 -0.19 0.00 -0.01 0.00 0.00 57.00 57.12 2doa n GLN 54 Cb 0.25 -1.59 0.16 0.00 1.02 0.00 0.00 30.24 30.09 2doa n GLN 54 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2doa n VAL 55 N -4.07 2.85 -3.78 5.09 0.24 0.14 -4.94 118.33 113.87 2doa n VAL 55 Ca -0.45 -1.61 -0.00 0.00 -2.04 0.00 0.00 64.34 60.23 2doa n VAL 55 Cb 0.87 -0.54 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 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 -2.79 -2.00 -0.00 2.33 0.00 0.30 -4.31 121.76 115.29 2doa s ALA 56 Ca 0.48 0.21 -0.02 0.00 0.00 0.00 0.00 51.96 52.63 2doa s ALA 56 Cb 0.41 0.61 -0.00 0.00 0.00 0.00 0.00 23.12 24.13 2doa s ALA 56 CO 0.10 -1.07 0.04 -0.80 0.00 0.00 0.00 175.76 174.02 2doa s ASN 57 N -3.22 0.06 -0.20 0.00 0.01 -0.24 -4.43 114.94 106.93 2doa s ASN 57 Ca 0.18 -0.15 -0.16 0.00 -0.71 0.00 0.00 52.86 52.02 2doa s ASN 57 Cb 0.01 0.12 -0.04 0.00 0.41 0.00 0.00 41.25 41.75 2doa s ASN 57 CO 0.00 -0.17 0.42 -0.32 -1.51 0.00 0.00 177.10 175.52 2doa s MET 58 N -0.72 4.18 0.96 -0.60 1.75 -1.25 -0.57 119.30 123.05 2doa s MET 58 Ca -0.08 0.24 -0.11 0.00 -1.25 0.00 0.00 55.69 54.50 2doa s MET 58 Cb -0.05 -3.54 0.17 0.00 2.84 0.00 0.00 34.83 34.25 2doa s MET 58 CO -0.00 -0.05 1.10 0.45 -0.65 0.00 0.00 175.02 175.87 2doa n SER 59 N 4.49 -0.08 -2.20 1.11 2.88 -1.05 -4.88 113.62 113.89 2doa n SER 59 Ca -0.08 0.33 -0.29 0.00 -1.33 0.00 0.00 58.87 57.50 2doa n SER 59 Cb 0.51 -1.43 0.08 0.00 -0.75 0.00 0.00 64.21 62.62 2doa n SER 59 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2doa n ALA 60 N -4.36 5.92 0.01 -1.46 0.00 -1.26 -3.86 120.51 115.51 2doa n ALA 60 Ca 0.10 -2.95 0.00 0.00 0.00 0.00 0.00 53.44 50.60 2doa n ALA 60 Cb 0.52 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.64 0.00 -0.05 0.00 4.81 -1.26 -4.99 118.16 116.03 2doa n LYS 61 Ca 0.54 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.85 2doa n LYS 61 Cb 0.76 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.70 2doa n LYS 61 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2doa h ASP 62 N 0.00 -0.01 -0.31 3.14 5.19 -1.98 -3.49 116.42 118.97 2doa h ASP 62 Ca 0.00 -0.80 0.00 0.00 -0.62 0.00 0.00 57.03 55.61 2doa h ASP 62 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2doa h ASP 62 CO 0.00 0.83 0.00 0.61 -3.12 0.00 0.00 179.24 177.56 2doa n GLY 63 N 1.29 1.07 3.62 2.75 0.00 -1.25 -4.98 105.19 107.69 2doa n GLY 63 Ca -0.09 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 2doa n GLY 63 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2doa s THR 64 N -2.31 3.54 -0.74 2.61 -1.32 -1.26 -4.61 115.64 111.55 2doa s THR 64 Ca 0.00 -1.30 -0.21 0.00 -1.21 0.00 0.00 61.69 58.97 2doa s THR 64 Cb 0.00 -2.70 0.09 0.00 -1.51 0.00 0.00 72.50 68.38 2doa s THR 64 CO 0.00 0.04 1.01 0.00 -2.21 0.00 0.00 174.62 173.46 2doa s THR 66 N 3.66 5.02 0.46 0.00 -4.23 0.26 -2.98 115.64 117.84 2doa s THR 66 Ca 0.25 0.94 -0.25 0.00 -1.18 0.00 0.00 61.69 61.45 2doa s THR 66 Cb -0.14 -3.78 -0.08 0.00 1.34 0.00 0.00 72.50 69.85 2doa s THR 66 CO 0.04 0.50 1.41 -0.11 -0.54 0.00 0.00 174.62 175.92 2doa n LEU 67 N 2.36 5.06 -4.68 4.79 7.94 -1.26 -1.08 117.00 130.13 2doa n LEU 67 Ca -0.11 1.10 -0.29 0.00 -1.11 0.00 0.00 56.01 55.60 2doa n LEU 67 Cb 0.52 -1.59 0.20 0.00 0.53 0.00 0.00 43.42 43.08 2doa n LEU 67 CO 0.40 -0.25 0.67 -1.10 -1.11 0.00 0.00 177.39 176.00 2doa s GLN 68 N -2.47 -0.18 -0.01 1.96 -0.21 -1.26 -4.87 119.66 112.62 2doa s GLN 68 Ca 0.62 0.13 -0.15 0.00 0.02 0.00 0.00 55.36 55.99 2doa s GLN 68 Cb -0.45 -1.70 -0.08 0.00 1.00 0.00 0.00 33.01 31.78 2doa s GLN 68 CO 0.57 -3.06 0.76 -0.44 -2.12 0.00 0.00 175.29 171.00 2doa h ASP 69 N -2.11 -0.45 0.00 5.90 5.19 -1.99 -3.21 116.42 119.75 2doa h ASP 69 Ca -0.49 0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 55.94 2doa h ASP 69 Cb 1.31 0.12 -0.00 0.00 0.18 0.00 0.00 39.33 40.93 2doa h ASP 69 CO 0.47 -0.15 -0.00 0.00 -3.12 0.00 0.00 179.24 176.43 2doa h MET 71 N 0.00 0.54 -0.04 0.00 2.86 -1.93 0.60 114.93 116.95 2doa h MET 71 Ca -0.00 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2doa h MET 71 Cb 0.00 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.54 2doa h MET 71 CO 0.00 0.35 0.01 1.88 1.06 0.00 0.00 176.91 180.21 2doa h TYR 72 N 0.55 0.06 -0.04 -0.22 0.05 -1.42 -1.22 116.97 114.72 2doa h TYR 72 Ca 0.37 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.12 2doa h TYR 72 Cb 0.67 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.38 2doa h TYR 72 CO -0.00 0.05 -0.09 0.87 -1.05 0.00 0.00 178.16 177.94 2doa h LYS 73 N 0.06 0.06 0.02 4.88 1.79 -1.04 -2.11 116.57 120.24 2doa h LYS 73 Ca 0.02 -0.01 -0.20 0.00 -2.18 0.00 0.00 60.65 58.27 2doa h LYS 73 Cb 0.03 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 2doa h LYS 73 CO -0.00 0.16 -0.94 -0.44 -1.08 0.00 0.00 179.45 177.15 2doa h ASP 74 N 0.06 0.14 -3.22 0.86 3.32 -1.29 -3.45 116.42 112.84 2doa h ASP 74 Ca 0.01 -0.13 -0.53 0.00 0.02 0.00 0.00 57.03 56.40 2doa h ASP 74 Cb 0.21 -0.05 0.08 0.00 0.22 0.00 0.00 39.33 39.79 2doa h ASP 74 CO 0.01 1.00 0.91 -0.69 -1.72 0.00 0.00 179.24 178.76 2doa s VAL 75 N -2.98 2.03 0.69 -1.35 1.01 -0.79 -5.01 120.40 114.00 2doa s VAL 75 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2doa s VAL 75 Cb 0.10 -3.01 0.12 0.00 0.00 0.00 0.00 36.38 33.58 2doa s VAL 75 CO 0.82 0.00 0.96 -1.10 0.00 0.00 0.00 175.10 175.78 2doa s GLN 76 N -0.25 1.81 -0.24 2.72 -0.21 -1.26 -5.01 119.66 117.21 2doa s GLN 76 Ca 0.65 -1.14 0.10 0.00 0.02 0.00 0.00 55.36 54.99 2doa s GLN 76 Cb -0.48 -2.37 0.45 0.00 1.00 0.00 0.00 33.01 31.60 2doa s GLN 76 CO 0.46 -1.33 1.29 1.63 -2.12 0.00 0.00 175.29 175.22 2doa n LYS 77 N -2.74 1.75 -1.38 2.91 5.02 -1.26 -4.59 118.16 117.88 2doa n LYS 77 Ca 0.14 -3.32 0.01 0.00 -2.02 0.00 0.00 58.31 53.12 2doa n LYS 77 Cb 0.61 -1.71 -0.00 0.00 -0.02 0.00 0.00 35.03 33.90 2doa n LYS 77 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2doa n ASP 78 N -1.10 0.42 -4.69 4.39 9.92 -1.26 -5.10 116.55 119.13 2doa n ASP 78 Ca 0.24 -2.00 -0.42 0.00 -0.53 0.00 0.00 54.79 52.08 2doa n ASP 78 Cb 0.80 -0.13 -0.03 0.00 -0.64 0.00 0.00 41.12 41.13 2doa n ASP 78 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 2doa s TRP 79 N -0.05 2.63 0.56 1.24 -0.11 -1.26 -4.88 118.94 117.07 2doa s TRP 79 Ca 0.24 0.52 0.28 0.00 1.22 0.00 0.00 56.10 58.36 2doa s TRP 79 Cb 0.28 -3.85 1.49 0.00 -1.50 0.00 0.00 33.47 29.88 2doa s TRP 79 CO -0.12 -3.32 1.97 -1.35 -4.62 0.00 0.00 176.95 169.51 2doa h PRO 80 N 8.02 0.00 -0.30 5.86 0.11 -1.99 -1.83 132.00 141.87 2doa h PRO 80 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2doa h PRO 80 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2doa h PRO 80 CO 0.92 0.00 0.19 0.78 -0.21 0.00 0.00 178.00 179.68 2doa h GLY 81 N 0.00 0.42 -1.11 -0.55 0.00 -1.93 -3.43 103.07 96.46 2doa h GLY 81 Ca 0.22 -0.16 -0.49 0.00 0.00 0.00 0.00 47.33 46.90 2doa h GLY 81 CO -0.00 0.16 0.27 -0.19 0.00 0.00 0.00 176.54 176.77 2doa s TYR 82 N -6.12 2.41 0.30 5.60 2.02 -0.69 -4.99 117.35 115.89 2doa s TYR 82 Ca -0.13 1.27 0.00 0.00 -0.37 0.00 0.00 57.07 57.84 2doa s TYR 82 Cb 0.09 -3.14 0.00 0.00 -0.40 0.00 0.00 41.96 38.51 2doa s TYR 82 CO 0.71 -2.25 0.00 0.45 -1.57 0.00 0.00 175.55 172.89 2doa n SER 83 N -3.78 -1.47 0.03 2.29 2.88 -1.26 -4.94 113.62 107.37 2doa n SER 83 Ca 0.07 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 2doa n SER 83 Cb 0.55 1.52 0.00 0.00 -0.75 0.00 0.00 64.21 65.53 2doa n SER 83 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2doa n GLU 84 N -3.30 0.00 -0.06 -1.46 2.13 -1.26 -4.78 120.64 111.91 2doa n GLU 84 Ca 0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 2doa n GLU 84 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 2doa n GLU 84 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2doa h GLY 85 N 0.00 0.67 1.38 8.31 0.00 -1.99 -2.47 103.07 108.97 2doa h GLY 85 Ca 0.00 -0.81 -0.17 0.00 0.00 0.00 0.00 47.33 46.35 2doa h GLY 85 CO 0.00 0.73 -0.53 -0.55 0.00 0.00 0.00 176.54 176.19 2doa h ASP 86 N 0.28 0.73 0.14 0.19 3.32 -1.95 -1.88 116.42 117.26 2doa h ASP 86 Ca 0.00 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 2doa h ASP 86 Cb 1.02 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.36 2doa h ASP 86 CO 0.09 1.12 -0.07 1.56 -1.72 0.00 0.00 179.24 180.22 2doa h GLN 87 N 0.51 -0.19 -0.18 3.56 4.20 -1.86 0.38 115.11 121.53 2doa h GLN 87 Ca 0.01 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 2doa h GLN 87 Cb 1.09 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 2doa h GLN 87 CO 0.11 -0.03 -0.16 1.96 -0.67 0.00 0.00 178.83 180.04 2doa h GLN 88 N -0.31 0.30 -0.25 1.46 1.08 -1.48 -2.30 115.11 113.61 2doa h GLN 88 Ca -0.02 -0.08 -0.09 0.00 -1.45 0.00 0.00 58.65 57.01 2doa h GLN 88 Cb 0.25 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.64 2doa h GLN 88 CO 0.03 0.46 -0.20 1.25 -0.95 0.00 0.00 178.83 179.43 2doa h LEU 89 N 0.28 0.60 -1.61 1.46 5.85 -1.09 -3.00 115.31 117.80 2doa h LEU 89 Ca 0.05 -0.45 -0.04 0.00 0.84 0.00 0.00 57.88 58.28 2doa h LEU 89 Cb 0.45 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2doa h LEU 89 CO 0.03 0.93 -0.21 0.25 -0.34 0.00 0.00 178.44 179.09 2doa h LEU 90 N 0.29 0.00 0.34 2.25 5.85 -0.71 -2.58 115.31 120.74 2doa h LEU 90 Ca 0.05 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2doa h LEU 90 Cb 0.74 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 2doa h LEU 90 CO 0.05 0.21 -0.26 0.11 -0.34 0.00 0.00 178.44 178.22 2doa h LYS 91 N 0.00 -0.57 -0.48 1.25 1.57 -1.27 -1.37 116.57 115.69 2doa h LYS 91 Ca -0.00 0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 2doa h LYS 91 Cb 0.42 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 2doa h LYS 91 CO 0.03 -0.38 -0.08 0.07 -0.57 0.00 0.00 179.45 178.52 2doa h ARG 92 N -0.59 0.86 -0.07 3.15 0.11 -1.56 -2.35 114.38 113.93 2doa h ARG 92 Ca -0.03 -0.28 0.02 0.00 0.10 0.00 0.00 59.98 59.79 2doa h ARG 92 Cb 0.52 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 31.52 2doa h ARG 92 CO -0.00 0.91 0.05 0.28 0.10 0.00 0.00 179.97 181.30 2doa h VAL 93 N 0.78 0.93 0.08 0.08 2.07 -1.21 0.60 116.25 119.58 2doa h VAL 93 Ca 0.14 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.53 2doa h VAL 93 Cb 0.58 0.97 0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2doa h VAL 93 CO 0.04 0.00 -0.55 -0.07 0.02 0.00 0.00 177.57 177.00 2doa h LEU 94 N 0.00 0.27 -1.48 2.57 3.38 -0.86 -2.77 115.31 116.42 2doa h LEU 94 Ca 0.03 -0.95 -0.04 0.00 0.09 0.00 0.00 57.88 57.01 2doa h LEU 94 Cb 0.13 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2doa h LEU 94 CO -0.00 1.26 -0.12 0.58 0.09 0.00 0.00 178.44 180.25 2doa h VAL 95 N -0.63 1.16 0.02 1.22 2.07 -1.06 0.55 116.25 119.57 2doa h VAL 95 Ca -0.10 -0.69 -0.20 0.00 0.82 0.00 0.00 66.70 66.52 2doa h VAL 95 Cb 1.40 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 2doa h VAL 95 CO 0.08 0.21 -0.93 -0.09 0.02 0.00 0.00 177.57 176.86 2doa h ARG 96 N 0.18 0.14 0.00 1.57 9.65 -0.99 -3.36 114.38 121.57 2doa h ARG 96 Ca 0.04 -0.17 -0.05 0.00 -1.10 0.00 0.00 59.98 58.70 2doa h ARG 96 Cb 0.33 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.96 2doa h ARG 96 CO 0.02 0.96 -0.39 0.87 2.80 0.00 0.00 179.97 184.24 2doa h LYS 97 N 0.07 0.00 -6.33 0.20 1.79 -1.13 -3.44 116.57 107.72 2doa h LYS 97 Ca -0.04 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.86 2doa h LYS 97 Cb 1.59 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.20 2doa h LYS 97 CO 0.14 0.49 1.15 -0.51 -1.08 0.00 0.00 179.45 179.63 2doa s LEU 98 N -8.24 3.73 -0.05 2.94 1.43 0.19 -4.77 118.68 113.90 2doa s LEU 98 Ca -0.15 1.36 0.12 0.00 -1.03 0.00 0.00 54.13 54.43 2doa s LEU 98 Cb 0.01 -3.53 0.22 0.00 0.03 0.00 0.00 46.19 42.92 2doa s LEU 98 CO 0.37 -1.40 1.12 -1.54 0.23 0.00 0.00 176.35 175.13 2doa n SER 99 N 8.94 -0.22 -2.70 2.29 3.41 -1.26 -4.70 113.62 119.39 2doa n SER 99 Ca 0.19 -2.03 -0.09 0.00 -0.26 0.00 0.00 58.87 56.69 2doa n SER 99 Cb 0.46 0.09 0.04 0.00 -0.26 0.00 0.00 64.21 64.54 2doa n SER 99 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2doa n GLY 100 N -0.05 -0.59 0.42 5.00 0.00 -1.26 -4.97 105.19 103.74 2doa n GLY 100 Ca -0.13 0.32 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.60 -0.91 -7.17 1.61 0.11 -1.96 -3.44 132.00 119.64 2doa h PRO 101 Ca -0.36 0.06 -0.48 0.00 0.11 0.00 0.00 66.00 65.32 2doa h PRO 101 Cb 1.19 0.21 0.21 0.00 0.11 0.00 0.00 31.00 32.71 2doa h PRO 101 CO 0.29 -0.61 0.05 0.43 -0.21 0.00 0.00 178.00 177.96 2doa n SER 102 N -4.95 -0.74 -1.46 -2.05 7.64 -1.26 -4.80 113.62 106.00 2doa n SER 102 Ca -0.11 0.14 0.20 0.00 1.01 0.00 0.00 58.87 60.10 2doa n SER 102 Cb 0.40 -1.36 -0.06 0.00 -1.01 0.00 0.00 64.21 62.19 2doa n SER 102 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2doa n SER 103 N -4.42 -8.71 0.00 6.43 7.64 -1.26 -5.17 113.62 108.13 2doa n SER 103 Ca 0.07 0.72 0.00 0.00 1.01 0.00 0.00 58.87 60.67 2doa n SER 103 Cb 0.53 -4.51 0.00 0.00 -1.01 0.00 0.00 64.21 59.22 2doa n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64