#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2doa s SER 2 N 0.00 7.30 -1.07 1.61 0.01 -1.26 -4.99 113.70 115.30 2doa s SER 2 Ca 0.00 2.14 -0.07 0.00 1.31 0.00 0.00 55.95 59.33 2doa s SER 2 Cb 0.00 -2.62 0.27 0.00 0.21 0.00 0.00 66.02 63.89 2doa s SER 2 CO 0.00 -0.11 1.10 -1.20 0.41 0.00 0.00 173.24 173.45 2doa n SER 3 N 1.08 5.39 -1.13 2.44 7.64 -1.26 -4.64 113.62 123.13 2doa n SER 3 Ca -0.00 -3.11 -0.01 0.00 1.01 0.00 0.00 58.87 56.76 2doa n SER 3 Cb 0.46 -1.30 -0.02 0.00 -1.01 0.00 0.00 64.21 62.34 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 2.42 0.76 1.74 0.23 0.00 -1.26 -4.90 105.19 104.18 2doa n GLY 4 Ca 0.24 -0.37 -0.16 0.00 0.00 0.00 0.00 46.02 45.73 2doa n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2doa n SER 5 N 0.22 3.49 -4.59 1.61 2.88 -1.26 -4.95 113.62 111.01 2doa n SER 5 Ca -0.08 -3.72 -0.38 0.00 -1.33 0.00 0.00 58.87 53.35 2doa n SER 5 Cb 0.88 -0.74 -0.11 0.00 -0.75 0.00 0.00 64.21 63.49 2doa n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2doa s SER 6 N -2.02 6.05 -0.36 -3.46 0.01 -1.26 -4.96 113.70 107.70 2doa s SER 6 Ca 0.52 -0.00 0.04 0.00 1.31 0.00 0.00 55.95 57.82 2doa s SER 6 Cb 0.45 -2.13 0.57 0.00 0.21 0.00 0.00 66.02 65.11 2doa s SER 6 CO 0.04 -0.08 1.75 0.61 0.41 0.00 0.00 173.24 175.97 2doa n GLY 7 N 5.02 3.95 0.15 3.44 0.00 -1.26 -4.38 105.19 112.11 2doa n GLY 7 Ca -0.13 -0.90 -0.03 0.00 0.00 0.00 0.00 46.02 44.96 2doa n GLY 7 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2doa h VAL 8 N 1.08 1.42 -0.08 1.61 2.07 -1.94 -3.00 116.25 117.41 2doa h VAL 8 Ca 0.48 -2.04 -0.09 0.00 0.82 0.00 0.00 66.70 65.87 2doa h VAL 8 Cb 2.49 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 34.32 2doa h VAL 8 CO 0.88 0.59 -0.35 -1.28 0.02 0.00 0.00 177.57 177.43 2doa h SER 9 N 0.08 0.15 -0.11 0.57 0.87 -1.94 -2.89 113.55 110.29 2doa h SER 9 Ca -0.01 -0.05 -0.17 0.00 -1.23 0.00 0.00 61.79 60.33 2doa h SER 9 Cb 1.10 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 63.01 2doa h SER 9 CO 0.09 0.50 -0.53 -0.61 -0.53 0.00 0.00 176.83 175.74 2doa h GLN 10 N 0.13 0.69 -7.13 2.24 4.15 -1.85 -3.45 115.11 109.90 2doa h GLN 10 Ca 0.02 -0.43 -0.52 0.00 0.77 0.00 0.00 58.65 58.49 2doa h GLN 10 Cb 0.68 0.05 0.11 0.00 0.21 0.00 0.00 27.48 28.53 2doa h GLN 10 CO 0.05 1.05 0.43 1.03 -1.93 0.00 0.00 178.83 179.46 2doa s ARG 11 N -4.07 2.90 0.86 1.69 1.81 -1.09 -4.97 118.95 116.08 2doa s ARG 11 Ca -0.09 1.69 -0.14 0.00 -1.72 0.00 0.00 55.73 55.47 2doa s ARG 11 Cb 0.11 -1.94 -0.00 0.00 -0.45 0.00 0.00 34.95 32.67 2doa s ARG 11 CO 0.86 -1.23 0.39 -2.30 -0.68 0.00 0.00 175.30 172.33 2doa n PRO 12 N -1.85 -0.05 -0.03 3.54 -0.02 -1.26 -4.87 135.00 130.46 2doa n PRO 12 Ca 0.13 0.03 -0.06 0.00 -2.02 0.00 0.00 63.50 61.57 2doa n PRO 12 Cb 0.50 -1.80 0.12 0.00 -0.02 0.00 0.00 33.50 32.31 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 -1.07 0.72 -0.10 6.00 3.57 -1.93 -2.79 116.94 121.34 2doa h PHE 13 Ca -0.44 -0.17 -0.04 0.00 3.53 0.00 0.00 57.97 60.84 2doa h PHE 13 Cb 1.31 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 2doa h PHE 13 CO 0.36 0.85 -0.12 -0.09 -2.23 0.00 0.00 178.31 177.08 2doa h ARG 14 N 0.54 0.15 -0.47 1.11 2.43 -1.99 -2.53 114.38 113.61 2doa h ARG 14 Ca 0.07 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 2doa h ARG 14 Cb 0.77 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 2doa h ARG 14 CO 0.06 0.28 -0.11 -0.44 -1.51 0.00 0.00 179.97 178.25 2doa h ASP 15 N 0.14 0.91 -0.13 -3.80 5.19 -1.84 0.16 116.42 117.06 2doa h ASP 15 Ca 0.03 -0.36 -0.00 0.00 -0.62 0.00 0.00 57.03 56.08 2doa h ASP 15 Cb 0.31 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 2doa h ASP 15 CO 0.02 1.06 0.06 0.03 -3.12 0.00 0.00 179.24 177.29 2doa h ARG 16 N 0.75 0.18 -0.02 3.56 3.08 -1.40 -1.95 114.38 118.58 2doa h ARG 16 Ca 0.12 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 2doa h ARG 16 Cb 0.66 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 2doa h ARG 16 CO 0.05 0.23 -0.59 0.28 -1.07 0.00 0.00 179.97 178.86 2doa h VAL 17 N 0.09 1.41 -0.09 2.04 2.07 -1.47 -1.90 116.25 118.40 2doa h VAL 17 Ca 0.04 -2.01 -0.06 0.00 0.82 0.00 0.00 66.70 65.49 2doa h VAL 17 Cb 0.10 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 2doa h VAL 17 CO -0.01 0.58 -0.21 0.25 0.02 0.00 0.00 177.57 178.20 2doa h LEU 18 N 0.05 0.15 0.07 2.57 5.85 -0.41 -2.37 115.31 121.22 2doa h LEU 18 Ca -0.01 -0.04 -0.30 0.00 0.84 0.00 0.00 57.88 58.38 2doa h LEU 18 Cb 1.06 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 2doa h LEU 18 CO 0.08 0.38 -1.61 0.45 -0.34 0.00 0.00 178.44 177.40 2doa h HIS 19 N 0.15 0.27 0.29 1.25 3.86 -1.21 -3.12 115.15 116.64 2doa h HIS 19 Ca 0.03 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.02 2doa h HIS 19 Cb 0.47 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.93 2doa h HIS 19 CO 0.00 1.29 -0.14 -0.07 0.86 0.00 0.00 177.93 179.88 2doa h LEU 20 N 0.04 -0.33 -1.21 2.43 3.38 -1.14 -2.51 115.31 115.97 2doa h LEU 20 Ca -0.26 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 2doa h LEU 20 Cb 1.99 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.82 2doa h LEU 20 CO 0.12 -0.24 -0.37 -0.07 0.09 0.00 0.00 178.44 177.97 2doa h LEU 21 N -0.39 0.04 -1.03 1.67 3.38 -1.60 -2.89 115.31 114.49 2doa h LEU 21 Ca -0.04 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.95 2doa h LEU 21 Cb 0.30 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 2doa h LEU 21 CO 0.06 0.41 0.65 0.00 0.09 0.00 0.00 178.44 179.65 2doa h ALA 22 N 1.59 1.35 0.42 1.53 0.00 -1.40 -3.02 119.26 119.72 2doa h ALA 22 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2doa h ALA 22 Cb 0.68 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2doa h ALA 22 CO 0.05 0.56 -0.20 -0.07 0.00 0.00 0.00 179.25 179.59 2doa h LEU 23 N 1.26 -0.48 -7.00 0.00 3.38 -1.24 -3.46 115.31 107.77 2doa h LEU 23 Ca 0.39 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 2doa h LEU 23 Cb -0.02 0.12 -0.15 0.00 0.09 0.00 0.00 40.66 40.70 2doa h LEU 23 CO -0.12 -0.10 0.27 0.00 0.09 0.00 0.00 178.44 178.59 2doa s ARG 24 N -4.56 1.10 -0.24 1.13 1.70 -1.14 -4.92 118.95 112.01 2doa s ARG 24 Ca -0.14 -0.20 -0.35 0.00 -0.47 0.00 0.00 55.73 54.58 2doa s ARG 24 Cb 0.02 0.51 -0.12 0.00 -0.57 0.00 0.00 34.95 34.79 2doa s ARG 24 CO 0.49 -0.44 2.01 -2.30 -1.08 0.00 0.00 175.30 173.99 2doa n PRO 25 N 0.08 1.54 -3.85 3.89 -0.02 -1.26 -4.31 135.00 131.07 2doa n PRO 25 Ca -0.16 0.51 -0.36 0.00 -2.02 0.00 0.00 63.50 61.47 2doa n PRO 25 Cb 0.62 -2.53 -0.13 0.00 -0.02 0.00 0.00 33.50 31.44 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 5.64 3.01 0.97 6.00 2.02 -0.98 -4.81 117.35 129.20 2doa s TYR 26 Ca 1.01 -0.77 -0.13 0.00 -0.37 0.00 0.00 57.07 56.81 2doa s TYR 26 Cb -0.80 -2.16 0.17 0.00 -0.40 0.00 0.00 41.96 38.78 2doa s TYR 26 CO 0.52 -0.49 1.13 1.03 -1.57 0.00 0.00 175.55 176.18 2doa s ARG 27 N 1.53 0.64 0.14 -0.62 0.52 -1.26 -2.55 118.95 117.35 2doa s ARG 27 Ca 0.06 0.27 -0.17 0.00 -0.52 0.00 0.00 55.73 55.38 2doa s ARG 27 Cb -0.15 -1.78 -0.00 0.00 0.52 0.00 0.00 34.95 33.54 2doa s ARG 27 CO -0.01 -2.53 1.76 0.87 0.02 0.00 0.00 175.30 175.41 2doa h LYS 28 N -1.74 0.52 -0.08 3.54 1.57 -1.90 0.64 116.57 119.12 2doa h LYS 28 Ca -0.51 -0.05 -0.21 0.00 -1.87 0.00 0.00 60.65 58.00 2doa h LYS 28 Cb 1.32 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2doa h LYS 28 CO 0.57 0.41 -0.81 0.00 -0.57 0.00 0.00 179.45 179.05 2doa h ALA 29 N 1.09 0.42 -0.03 3.86 0.00 -1.93 0.07 119.26 122.73 2doa h ALA 29 Ca 0.14 -0.63 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 2doa h ALA 29 Cb 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2doa h ALA 29 CO -0.02 0.74 -0.61 1.49 0.00 0.00 0.00 179.25 180.85 2doa h GLU 30 N 0.37 0.10 0.17 0.00 4.81 -1.88 -2.78 114.58 115.37 2doa h GLU 30 Ca -0.06 -0.07 -0.32 0.00 -0.13 0.00 0.00 59.36 58.78 2doa h GLU 30 Cb 1.42 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.82 2doa h GLU 30 CO 0.15 0.67 -1.54 1.25 -0.73 0.00 0.00 179.01 178.81 2doa h LEU 31 N 0.07 0.57 -0.29 1.64 5.85 0.30 -3.01 115.31 120.45 2doa h LEU 31 Ca -0.01 -0.73 0.01 0.00 0.84 0.00 0.00 57.88 57.99 2doa h LEU 31 Cb 1.09 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 2doa h LEU 31 CO 0.09 1.60 0.19 -0.07 -0.34 0.00 0.00 178.44 179.90 2doa h LEU 32 N 0.10 0.32 -0.82 2.25 3.38 -0.98 0.10 115.31 119.66 2doa h LEU 32 Ca -0.26 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.60 2doa h LEU 32 Cb 2.07 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.73 2doa h LEU 32 CO 0.20 0.23 -0.28 -0.07 0.09 0.00 0.00 178.44 178.61 2doa h LEU 33 N 0.38 0.57 0.28 1.67 3.38 -1.63 -1.94 115.31 118.03 2doa h LEU 33 Ca 0.11 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2doa h LEU 33 Cb -0.03 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.56 2doa h LEU 33 CO -0.03 0.83 -0.14 -0.09 0.09 0.00 0.00 178.44 179.10 2doa h ARG 34 N 0.48 -0.37 0.00 1.13 1.12 -1.31 -3.05 114.38 112.38 2doa h ARG 34 Ca 0.06 0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 58.96 2doa h ARG 34 Cb 0.74 0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 30.78 2doa h ARG 34 CO 0.06 -0.05 -0.00 -0.07 -3.11 0.00 0.00 179.97 176.80 2doa h LEU 35 N -0.73 0.00 -1.94 3.80 3.38 -0.82 -1.37 115.31 117.63 2doa h LEU 35 Ca -0.04 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.99 2doa h LEU 35 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2doa h LEU 35 CO 0.06 0.00 0.17 -0.61 0.09 0.00 0.00 178.44 178.16 2doa h GLN 36 N 0.00 0.08 0.29 1.13 4.15 -1.23 0.14 115.11 119.66 2doa h GLN 36 Ca -0.00 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 2doa h GLN 36 Cb 0.00 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.68 2doa h GLN 36 CO 0.00 0.05 -0.14 0.87 -1.93 0.00 0.00 178.83 177.68 2doa h LYS 37 N 0.08 -0.38 -0.04 1.69 1.57 -1.27 -3.21 116.57 115.01 2doa h LYS 37 Ca 0.11 0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.80 2doa h LYS 37 Cb 0.35 0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.75 2doa h LYS 37 CO -0.01 -0.25 -0.43 0.22 -0.57 0.00 0.00 179.45 178.41 2doa h ASP 38 N -0.39 0.45 0.00 0.86 1.82 -1.57 -3.48 116.42 114.10 2doa h ASP 38 Ca -0.04 -0.70 0.00 0.00 -0.39 0.00 0.00 57.03 55.90 2doa h ASP 38 Cb 0.31 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.18 2doa h ASP 38 CO 0.06 1.09 0.00 0.61 -1.61 0.00 0.00 179.24 179.39 2doa n GLY 39 N 0.88 2.42 3.40 -0.78 0.00 0.45 -4.98 105.19 106.58 2doa n GLY 39 Ca -0.09 0.27 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 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 0.05 0.00 0.99 2.96 -1.25 -4.62 118.68 116.81 2doa s LEU 40 Ca 0.00 0.74 0.05 0.00 -0.22 0.00 0.00 54.13 54.70 2doa s LEU 40 Cb 0.00 1.84 -0.02 0.00 0.50 0.00 0.00 46.19 48.51 2doa s LEU 40 CO 0.00 -0.35 0.22 1.07 -1.32 0.00 0.00 176.35 175.97 2doa n THR 41 N 1.99 0.00 0.18 3.68 5.66 -1.26 -4.95 114.28 119.57 2doa n THR 41 Ca -0.17 -1.76 0.06 0.00 -3.05 0.00 0.00 64.05 59.14 2doa n THR 41 Cb 0.56 0.89 0.55 0.00 -1.55 0.00 0.00 70.33 70.78 2doa n THR 41 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 2doa h GLN 42 N 0.00 0.16 -0.13 1.09 -0.00 -2.02 0.79 115.11 115.00 2doa h GLN 42 Ca -0.17 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.44 2doa h GLN 42 Cb 0.88 -0.03 -0.00 0.00 0.00 0.00 0.00 27.48 28.33 2doa h GLN 42 CO 0.25 0.15 -0.01 0.00 0.00 0.00 0.00 178.83 179.22 2doa h ALA 43 N 1.88 0.18 0.00 3.38 0.00 -2.00 -2.99 119.26 119.71 2doa h ALA 43 Ca 0.04 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 2doa h ALA 43 Cb 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2doa h ALA 43 CO -0.00 -0.11 -0.62 -0.44 0.00 0.00 0.00 179.25 178.08 2doa h ASP 44 N -0.04 0.00 -0.11 0.00 3.32 -1.86 -2.49 116.42 115.24 2doa h ASP 44 Ca 0.04 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 2doa h ASP 44 Cb 0.39 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2doa h ASP 44 CO 0.01 0.62 0.07 0.11 -1.72 0.00 0.00 179.24 178.33 2doa h LYS 45 N 0.00 0.16 0.02 3.56 1.57 -0.76 0.81 116.57 121.93 2doa h LYS 45 Ca -0.01 -0.01 -0.31 0.00 -1.87 0.00 0.00 60.65 58.46 2doa h LYS 45 Cb 1.13 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.36 2doa h LYS 45 CO 0.08 0.11 -1.79 -0.25 -0.57 0.00 0.00 179.45 177.03 2doa n ASP 46 N -4.51 1.04 0.13 0.86 9.92 -1.14 -4.09 116.55 118.76 2doa n ASP 46 Ca -0.01 0.36 0.01 0.00 -0.53 0.00 0.00 54.79 54.62 2doa n ASP 46 Cb 0.09 -0.15 0.01 0.00 -0.64 0.00 0.00 41.12 40.43 2doa n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2doa h ALA 47 N 0.85 0.63 -0.18 2.24 0.00 -0.96 -3.32 119.26 118.51 2doa h ALA 47 Ca -0.32 -0.53 0.03 0.00 0.00 0.00 0.00 54.91 54.09 2doa h ALA 47 Cb 2.03 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.69 2doa h ALA 47 CO 0.08 0.73 -0.03 1.25 0.00 0.00 0.00 179.25 181.27 2doa h LEU 48 N 0.00 -0.14 -1.14 0.00 5.85 0.48 -0.13 115.31 120.23 2doa h LEU 48 Ca -0.01 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.81 2doa h LEU 48 Cb 1.43 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.51 2doa h LEU 48 CO 0.08 -0.05 0.59 -0.78 -0.34 0.00 0.00 178.44 177.94 2doa h ASP 49 N 0.02 0.95 0.79 1.25 1.82 -1.74 -0.02 116.42 119.48 2doa h ASP 49 Ca 0.09 -0.01 -0.09 0.00 -0.39 0.00 0.00 57.03 56.63 2doa h ASP 49 Cb 0.13 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 39.91 2doa h ASP 49 CO -0.18 0.64 -0.41 1.23 -1.61 0.00 0.00 179.24 178.91 2doa h GLY 50 N 1.10 0.00 0.62 -0.78 0.00 -1.50 -2.83 103.07 99.69 2doa h GLY 50 Ca 0.37 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.53 2doa h GLY 50 CO -0.12 0.00 -0.70 -2.00 0.00 0.00 0.00 176.54 173.73 2doa h LEU 51 N 0.00 0.42 -0.70 3.11 5.85 0.07 -3.27 115.31 120.80 2doa h LEU 51 Ca -0.00 -0.94 0.03 0.00 0.84 0.00 0.00 57.88 57.81 2doa h LEU 51 Cb 0.92 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 2doa h LEU 51 CO 0.05 1.32 0.43 -0.07 -0.34 0.00 0.00 178.44 179.84 2doa h LEU 52 N -0.41 0.70 -2.25 2.25 3.38 -1.07 0.35 115.31 118.26 2doa h LEU 52 Ca -0.12 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.88 2doa h LEU 52 Cb 1.53 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 2doa h LEU 52 CO 0.13 0.48 0.07 1.56 0.09 0.00 0.00 178.44 180.77 2doa h GLN 53 N 0.83 0.00 0.00 1.13 1.08 -1.61 0.84 115.11 117.38 2doa h GLN 53 Ca 0.28 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.33 2doa h GLN 53 Cb 0.04 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 2doa h GLN 53 CO -0.12 0.00 -1.08 1.04 -0.95 0.00 0.00 178.83 177.72 2doa n GLN 54 N -4.07 0.52 -1.15 1.46 6.02 -0.42 -4.38 117.38 115.36 2doa n GLN 54 Ca -0.01 0.52 -0.26 0.00 -0.01 0.00 0.00 57.00 57.24 2doa n GLN 54 Cb 0.17 -1.69 0.11 0.00 1.02 0.00 0.00 30.24 29.85 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 -4.49 3.19 -3.74 5.09 0.24 0.11 -4.93 118.33 113.80 2doa n VAL 55 Ca -0.24 -2.17 0.03 0.00 -2.04 0.00 0.00 64.34 59.92 2doa n VAL 55 Cb 0.54 -0.89 0.00 0.00 -1.47 0.00 0.00 33.84 32.02 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 -3.12 -2.43 -0.08 2.33 0.00 0.29 -4.43 121.76 114.32 2doa s ALA 56 Ca 0.53 0.54 0.03 0.00 0.00 0.00 0.00 51.96 53.05 2doa s ALA 56 Cb 0.43 0.53 0.01 0.00 0.00 0.00 0.00 23.12 24.09 2doa s ALA 56 CO 0.04 -1.09 -0.16 -0.80 0.00 0.00 0.00 175.76 173.75 2doa s ASN 57 N -3.31 2.27 -0.23 0.00 0.01 0.28 -4.27 114.94 109.69 2doa s ASN 57 Ca 0.20 -0.39 -0.29 0.00 -0.71 0.00 0.00 52.86 51.67 2doa s ASN 57 Cb 0.04 -1.04 0.01 0.00 0.41 0.00 0.00 41.25 40.67 2doa s ASN 57 CO -0.04 0.06 1.05 -0.32 -1.51 0.00 0.00 177.10 176.34 2doa s MET 58 N 0.64 4.25 0.97 -0.60 1.75 -1.26 -0.73 119.30 124.32 2doa s MET 58 Ca -0.14 1.36 -0.12 0.00 -1.25 0.00 0.00 55.69 55.54 2doa s MET 58 Cb -0.16 -3.65 0.17 0.00 2.84 0.00 0.00 34.83 34.03 2doa s MET 58 CO 0.04 -0.64 1.09 0.45 -0.65 0.00 0.00 175.02 175.31 2doa s SER 59 N 1.24 2.81 -0.24 1.11 0.15 0.61 -4.95 113.70 114.42 2doa s SER 59 Ca 0.44 1.35 0.10 0.00 0.70 0.00 0.00 55.95 58.54 2doa s SER 59 Cb -0.15 -2.03 0.44 0.00 -1.71 0.00 0.00 66.02 62.57 2doa s SER 59 CO 0.07 -3.04 1.27 0.00 1.20 0.00 0.00 173.24 172.73 2doa n ALA 60 N -4.13 4.00 0.00 5.45 0.00 -1.26 -4.07 120.51 120.50 2doa n ALA 60 Ca 0.06 -3.35 0.00 0.00 0.00 0.00 0.00 53.44 50.15 2doa n ALA 60 Cb 0.56 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 -1.06 0.00 -0.78 0.00 4.81 -1.26 -4.92 118.16 114.94 2doa n LYS 61 Ca 0.25 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.73 2doa n LYS 61 Cb 0.79 -0.19 0.06 0.00 0.02 0.00 0.00 35.03 35.71 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 -2.71 0.95 -2.13 3.14 9.92 -1.26 -4.98 116.55 119.48 2doa n ASP 62 Ca 0.00 -2.45 -0.15 0.00 -0.53 0.00 0.00 54.79 51.66 2doa n ASP 62 Cb 0.18 -0.32 -0.02 0.00 -0.64 0.00 0.00 41.12 40.32 2doa n ASP 62 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2doa n GLY 63 N -0.22 0.08 3.73 0.44 0.00 -1.26 -4.86 105.19 103.10 2doa n GLY 63 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.60 4.12 -0.02 2.61 2.01 -1.26 -3.95 115.64 116.54 2doa s THR 64 Ca 0.00 1.76 -0.17 0.00 0.31 0.00 0.00 61.69 63.59 2doa s THR 64 Cb 0.00 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.33 2doa s THR 64 CO 0.00 0.27 0.48 0.00 -0.69 0.00 0.00 174.62 174.68 2doa s THR 66 N -0.48 1.13 0.62 0.00 -4.23 0.09 -2.31 115.64 110.46 2doa s THR 66 Ca 0.26 -0.42 -0.19 0.00 -1.18 0.00 0.00 61.69 60.16 2doa s THR 66 Cb -0.17 -1.08 -0.02 0.00 1.34 0.00 0.00 72.50 72.57 2doa s THR 66 CO 0.14 0.37 1.31 -0.22 -0.54 0.00 0.00 174.62 175.68 2doa s LEU 67 N 1.15 3.66 0.48 4.79 2.96 -1.26 0.10 118.68 130.55 2doa s LEU 67 Ca -0.05 2.66 -0.20 0.00 -0.22 0.00 0.00 54.13 56.32 2doa s LEU 67 Cb -0.14 -4.52 -0.09 0.00 0.50 0.00 0.00 46.19 41.94 2doa s LEU 67 CO -0.02 -1.87 0.99 -1.10 -1.32 0.00 0.00 176.35 173.04 2doa s GLN 68 N -3.24 3.96 0.46 1.98 -0.21 -1.26 -4.80 119.66 116.55 2doa s GLN 68 Ca 0.79 1.18 0.11 0.00 0.02 0.00 0.00 55.36 57.47 2doa s GLN 68 Cb -0.38 -2.13 1.05 0.00 1.00 0.00 0.00 33.01 32.55 2doa s GLN 68 CO 0.42 -0.27 2.10 -0.44 -2.12 0.00 0.00 175.29 174.97 2doa h ASP 69 N 1.51 0.23 0.25 5.90 5.19 -1.96 -2.15 116.42 125.39 2doa h ASP 69 Ca -0.49 -0.01 -0.33 0.00 -0.62 0.00 0.00 57.03 55.58 2doa h ASP 69 Cb 1.20 -0.06 0.04 0.00 0.18 0.00 0.00 39.33 40.69 2doa h ASP 69 CO 0.60 0.18 -1.46 0.00 -3.12 0.00 0.00 179.24 175.44 2doa h MET 71 N 0.12 0.00 -0.40 0.00 2.86 -1.82 -1.58 114.93 114.12 2doa h MET 71 Ca -0.26 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.48 2doa h MET 71 Cb 2.15 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.79 2doa h MET 71 CO 0.27 0.00 0.28 1.88 1.06 0.00 0.00 176.91 180.40 2doa h TYR 72 N 0.00 0.12 -0.01 -0.22 0.05 -1.45 0.29 116.97 115.75 2doa h TYR 72 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 2doa h TYR 72 Cb 0.00 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 37.70 2doa h TYR 72 CO 0.00 0.06 -0.11 0.87 -1.05 0.00 0.00 178.16 177.93 2doa h LYS 73 N 0.12 0.01 0.00 4.88 1.79 -1.47 -1.25 116.57 120.65 2doa h LYS 73 Ca 0.19 -0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.61 2doa h LYS 73 Cb 0.58 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 2doa h LYS 73 CO -0.02 0.12 -0.19 -0.44 -1.08 0.00 0.00 179.45 177.84 2doa h ASP 74 N 0.01 0.00 -2.59 0.86 5.19 -1.09 -3.45 116.42 115.36 2doa h ASP 74 Ca 0.00 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.84 2doa h ASP 74 Cb 0.20 0.00 0.07 0.00 0.18 0.00 0.00 39.33 39.78 2doa h ASP 74 CO 0.01 0.19 0.75 0.52 -3.12 0.00 0.00 179.24 177.60 2doa n VAL 75 N -3.32 0.50 -2.49 -1.35 0.31 -0.47 -4.99 118.33 106.52 2doa n VAL 75 Ca 0.00 -0.13 -0.24 0.00 -0.01 0.00 0.00 64.34 63.97 2doa n VAL 75 Cb 0.43 -1.60 0.10 0.00 -0.91 0.00 0.00 33.84 31.86 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 0.23 1.73 -0.09 5.55 -0.21 -1.26 -5.05 119.66 120.57 2doa s GLN 76 Ca 0.72 -0.92 0.08 0.00 0.02 0.00 0.00 55.36 55.26 2doa s GLN 76 Cb -0.63 -2.29 -0.11 0.00 1.00 0.00 0.00 33.01 30.99 2doa s GLN 76 CO 0.43 -1.43 0.02 1.63 -2.12 0.00 0.00 175.29 173.82 2doa n LYS 77 N -2.88 2.38 -1.85 2.91 4.76 -1.26 -4.65 118.16 117.58 2doa n LYS 77 Ca 0.13 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.19 2doa n LYS 77 Cb 0.60 -1.23 0.04 0.00 -1.84 0.00 0.00 35.03 32.60 2doa n LYS 77 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2doa n ASP 78 N -2.37 7.49 -4.65 4.39 9.92 -1.26 -4.98 116.55 125.09 2doa n ASP 78 Ca -0.15 -3.80 -0.42 0.00 -0.53 0.00 0.00 54.79 49.89 2doa n ASP 78 Cb 0.79 -1.07 -0.04 0.00 -0.64 0.00 0.00 41.12 40.16 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 -3.92 3.34 0.59 1.24 -0.11 -1.26 -4.92 118.94 113.90 2doa s TRP 79 Ca 0.53 1.21 0.29 0.00 1.22 0.00 0.00 56.10 59.35 2doa s TRP 79 Cb 0.44 -3.07 1.51 0.00 -1.50 0.00 0.00 33.47 30.85 2doa s TRP 79 CO -0.38 -0.37 1.93 -1.35 -4.62 0.00 0.00 176.95 172.16 2doa h PRO 80 N 7.56 0.00 -0.90 5.86 0.11 -1.94 -1.36 132.00 141.33 2doa h PRO 80 Ca -0.24 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.92 2doa h PRO 80 Cb 1.10 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.15 2doa h PRO 80 CO 0.88 0.00 0.57 0.78 -0.21 0.00 0.00 178.00 180.02 2doa h GLY 81 N 0.00 1.33 -1.40 -0.55 0.00 -1.98 -3.43 103.07 97.04 2doa h GLY 81 Ca 0.19 -0.43 -0.50 0.00 0.00 0.00 0.00 47.33 46.59 2doa h GLY 81 CO -0.00 0.33 0.34 -0.19 0.00 0.00 0.00 176.54 177.02 2doa s TYR 82 N -6.08 3.50 0.25 5.60 2.02 -0.51 -5.01 117.35 117.11 2doa s TYR 82 Ca -0.13 1.09 0.00 0.00 -0.37 0.00 0.00 57.07 57.66 2doa s TYR 82 Cb 0.18 -2.74 0.00 0.00 -0.40 0.00 0.00 41.96 39.00 2doa s TYR 82 CO 0.80 -0.76 0.00 0.45 -1.57 0.00 0.00 175.55 174.47 2doa n SER 83 N -2.72 0.02 0.00 2.29 2.88 -1.26 -4.93 113.62 109.90 2doa n SER 83 Ca 0.05 0.41 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 2doa n SER 83 Cb 0.55 0.28 0.00 0.00 -0.75 0.00 0.00 64.21 64.29 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 -3.42 0.00 0.12 -1.46 1.02 -1.26 -4.82 120.64 110.82 2doa n GLU 84 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 2doa n GLU 84 Cb 0.00 -0.02 0.06 0.00 -0.02 0.00 0.00 31.44 31.46 2doa n GLU 84 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2doa h GLY 85 N 0.00 0.00 1.33 0.62 0.00 -2.01 -3.14 103.07 99.88 2doa h GLY 85 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.06 2doa h GLY 85 CO 0.00 0.00 -1.47 -0.55 0.00 0.00 0.00 176.54 174.52 2doa h ASP 86 N 0.00 0.09 0.31 0.19 3.32 -1.95 -3.17 116.42 115.21 2doa h ASP 86 Ca -0.01 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 2doa h ASP 86 Cb 1.37 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.89 2doa h ASP 86 CO 0.09 1.12 -0.15 1.56 -1.72 0.00 0.00 179.24 180.15 2doa h GLN 87 N 0.02 -0.40 -0.60 3.56 4.20 -1.88 -1.31 115.11 118.70 2doa h GLN 87 Ca -0.20 0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.50 2doa h GLN 87 Cb 1.94 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 29.78 2doa h GLN 87 CO 0.11 -0.20 0.20 1.96 -0.67 0.00 0.00 178.83 180.24 2doa h GLN 88 N -0.51 0.90 -0.27 1.46 4.20 -1.71 -2.33 115.11 116.85 2doa h GLN 88 Ca -0.04 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.46 2doa h GLN 88 Cb 0.38 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 2doa h GLN 88 CO 0.07 0.77 -0.01 1.25 -0.67 0.00 0.00 178.83 180.23 2doa h LEU 89 N 0.88 0.38 -1.08 1.46 5.85 -1.49 -2.11 115.31 119.20 2doa h LEU 89 Ca 0.20 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 2doa h LEU 89 Cb 0.24 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2doa h LEU 89 CO -0.01 0.46 -0.46 0.25 -0.34 0.00 0.00 178.44 178.34 2doa h LEU 90 N 0.40 0.00 -0.20 2.25 5.85 -0.68 -2.92 115.31 120.01 2doa h LEU 90 Ca 0.09 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2doa h LEU 90 Cb 0.29 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2doa h LEU 90 CO 0.01 0.46 -0.01 0.11 -0.34 0.00 0.00 178.44 178.67 2doa h LYS 91 N 0.00 0.36 0.00 1.25 1.57 -1.20 -1.07 116.57 117.48 2doa h LYS 91 Ca -0.00 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 2doa h LYS 91 Cb 0.82 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 2doa h LYS 91 CO 0.06 0.57 -0.14 0.07 -0.57 0.00 0.00 179.45 179.44 2doa h ARG 92 N 0.12 0.00 0.02 3.15 0.11 -1.46 -1.77 114.38 114.54 2doa h ARG 92 Ca 0.06 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.14 2doa h ARG 92 Cb 0.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.49 2doa h ARG 92 CO 0.01 0.14 -0.01 0.28 0.10 0.00 0.00 179.97 180.49 2doa h VAL 93 N 0.00 1.23 -0.27 0.08 2.07 -1.31 -2.94 116.25 115.12 2doa h VAL 93 Ca -0.00 -1.84 0.03 0.00 0.82 0.00 0.00 66.70 65.71 2doa h VAL 93 Cb 0.34 2.29 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 2doa h VAL 93 CO 0.02 0.40 0.08 -0.07 0.02 0.00 0.00 177.57 178.03 2doa h LEU 94 N -0.97 0.08 -1.86 2.57 3.38 -1.12 -0.99 115.31 116.40 2doa h LEU 94 Ca -0.00 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2doa h LEU 94 Cb 0.68 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2doa h LEU 94 CO 0.00 0.08 -0.09 0.58 0.09 0.00 0.00 178.44 179.10 2doa h VAL 95 N 0.20 1.00 -0.01 1.22 2.07 -1.47 0.47 116.25 119.72 2doa h VAL 95 Ca 0.12 -0.33 -0.19 0.00 0.82 0.00 0.00 66.70 67.12 2doa h VAL 95 Cb 0.10 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2doa h VAL 95 CO -0.13 0.09 -0.84 0.03 0.02 0.00 0.00 177.57 176.74 2doa h ARG 96 N 0.00 0.25 0.00 1.57 -0.00 -1.11 -3.35 114.38 111.75 2doa h ARG 96 Ca -0.00 -0.25 -0.13 0.00 -0.50 0.00 0.00 59.98 59.10 2doa h ARG 96 Cb 0.17 0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.19 2doa h ARG 96 CO 0.01 0.95 -0.69 0.87 0.00 0.00 0.00 179.97 181.12 2doa h LYS 97 N 0.15 0.00 -6.87 0.04 1.79 -0.45 -3.46 116.57 107.77 2doa h LYS 97 Ca -0.04 -0.01 -0.48 0.00 -2.18 0.00 0.00 60.65 57.94 2doa h LYS 97 Cb 1.45 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.09 2doa h LYS 97 CO 0.13 1.00 0.37 -0.51 -1.08 0.00 0.00 179.45 179.36 2doa s LEU 98 N -8.03 4.38 0.00 2.94 1.43 0.16 -5.05 118.68 114.51 2doa s LEU 98 Ca -0.24 1.92 0.00 0.00 -1.03 0.00 0.00 54.13 54.78 2doa s LEU 98 Cb 0.02 -3.94 0.00 0.00 0.03 0.00 0.00 46.19 42.30 2doa s LEU 98 CO 0.64 -0.09 0.00 -0.24 0.23 0.00 0.00 176.35 176.89 2doa n SER 99 N 0.68 -1.16 0.00 2.29 2.88 -1.26 -4.66 113.62 112.39 2doa n SER 99 Ca 0.01 -0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.25 2doa n SER 99 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 2doa n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2doa n GLY 100 N 1.71 1.48 3.68 0.46 0.00 -1.26 -4.99 105.19 106.26 2doa n GLY 100 Ca 0.00 0.15 -0.54 0.00 0.00 0.00 0.00 46.02 45.63 2doa n GLY 100 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2doa n PRO 101 N 0.00 1.43 -4.12 1.61 -0.02 -1.26 -4.96 135.00 127.68 2doa n PRO 101 Ca 0.00 0.52 -0.27 0.00 -2.02 0.00 0.00 63.50 61.73 2doa n PRO 101 Cb 0.00 -2.29 -0.17 0.00 -0.02 0.00 0.00 33.50 31.02 2doa n PRO 101 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2doa s SER 102 N 4.08 2.19 0.90 2.55 0.15 -1.26 -5.14 113.70 117.17 2doa s SER 102 Ca 0.98 -0.34 -0.13 0.00 0.70 0.00 0.00 55.95 57.16 2doa s SER 102 Cb -0.95 -0.91 0.16 0.00 -1.71 0.00 0.00 66.02 62.61 2doa s SER 102 CO 0.60 -0.06 1.25 -0.44 1.20 0.00 0.00 173.24 175.79 2doa s SER 103 N 1.38 3.60 0.00 5.45 0.01 -1.26 -5.34 113.70 117.54 2doa s SER 103 Ca -0.00 0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.60 2doa s SER 103 Cb -0.13 -0.54 0.00 0.00 0.21 0.00 0.00 66.02 65.55 2doa s SER 103 CO -0.05 -2.43 0.00 0.61 0.41 0.00 0.00 173.24 171.78