#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 -1.29 1.61 7.64 -1.26 -5.17 113.62 115.15 2doa n SER 2 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.02 2doa n SER 2 Cb 0.00 0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 2doa n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2doa n SER 3 N -1.50 -7.69 0.00 6.43 7.64 -1.26 -4.80 113.62 112.44 2doa n SER 3 Ca 0.00 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.97 2doa n SER 3 Cb 0.00 -3.05 0.00 0.00 -1.01 0.00 0.00 64.21 60.15 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 -2.98 1.42 4.08 0.23 0.00 -1.26 -5.06 105.19 101.62 2doa n GLY 4 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.46 -7.21 -4.19 1.61 2.88 -1.26 -4.74 113.62 100.25 2doa n SER 5 Ca 0.00 0.81 -0.34 0.00 -1.33 0.00 0.00 58.87 58.00 2doa n SER 5 Cb 0.00 -2.26 -0.15 0.00 -0.75 0.00 0.00 64.21 61.05 2doa n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2doa s SER 6 N -5.62 4.07 -0.74 -3.46 1.04 -1.26 -5.00 113.70 102.73 2doa s SER 6 Ca 0.00 -0.78 -0.04 0.00 0.48 0.00 0.00 55.95 55.61 2doa s SER 6 Cb 0.00 -1.63 0.12 0.00 0.10 0.00 0.00 66.02 64.60 2doa s SER 6 CO 0.00 -0.09 2.56 0.61 0.98 0.00 0.00 173.24 177.30 2doa n GLY 7 N 4.67 4.77 0.36 7.32 0.00 -1.26 -4.65 105.19 116.39 2doa n GLY 7 Ca -0.18 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.83 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 2.16 1.19 -0.02 1.61 2.07 -1.93 -1.78 116.25 119.55 2doa h VAL 8 Ca 0.49 -0.38 -0.16 0.00 0.82 0.00 0.00 66.70 67.47 2doa h VAL 8 Cb 0.53 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 2doa h VAL 8 CO 1.09 0.20 -0.73 0.28 0.02 0.00 0.00 177.57 178.43 2doa h SER 9 N 1.11 0.14 -0.46 0.57 0.02 -1.95 -3.17 113.55 109.81 2doa h SER 9 Ca 0.32 -0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 61.09 2doa h SER 9 Cb -0.08 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 2doa h SER 9 CO -0.08 0.82 -0.00 -0.61 -1.14 0.00 0.00 176.83 175.82 2doa h GLN 10 N 0.07 0.88 -7.19 3.45 5.75 -1.71 -3.44 115.11 112.93 2doa h GLN 10 Ca -0.02 -0.25 -0.49 0.00 -0.15 0.00 0.00 58.65 57.74 2doa h GLN 10 Cb 1.29 -0.09 0.05 0.00 1.07 0.00 0.00 27.48 29.80 2doa h GLN 10 CO 0.10 0.88 0.38 1.03 -2.65 0.00 0.00 178.83 178.57 2doa s ARG 11 N -4.99 3.50 0.62 1.69 1.81 -0.82 -4.99 118.95 115.76 2doa s ARG 11 Ca -0.10 1.15 -0.18 0.00 -1.72 0.00 0.00 55.73 54.89 2doa s ARG 11 Cb 0.14 -2.06 -0.06 0.00 -0.45 0.00 0.00 34.95 32.52 2doa s ARG 11 CO 0.83 -0.66 0.66 -2.30 -0.68 0.00 0.00 175.30 173.14 2doa n PRO 12 N -1.86 0.56 0.09 3.54 -0.02 -1.26 -4.87 135.00 131.17 2doa n PRO 12 Ca 0.08 0.23 0.01 0.00 -2.02 0.00 0.00 63.50 61.80 2doa n PRO 12 Cb 0.53 -1.87 0.34 0.00 -0.02 0.00 0.00 33.50 32.48 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 0.15 0.33 -0.67 6.00 3.57 -1.91 -2.63 116.94 121.78 2doa h PHE 13 Ca -0.46 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 60.93 2doa h PHE 13 Cb 1.38 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 40.00 2doa h PHE 13 CO 0.34 0.45 0.18 -0.09 -2.23 0.00 0.00 178.31 176.95 2doa h ARG 14 N 0.29 1.05 -0.82 1.11 2.43 -2.00 -2.71 114.38 113.73 2doa h ARG 14 Ca 0.06 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 58.96 2doa h ARG 14 Cb 0.43 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 2doa h ARG 14 CO 0.03 0.92 0.38 -0.44 -1.51 0.00 0.00 179.97 179.35 2doa h ASP 15 N 1.01 1.08 -0.52 -3.80 5.19 -1.82 0.46 116.42 118.01 2doa h ASP 15 Ca 0.22 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 2doa h ASP 15 Cb 0.33 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 39.54 2doa h ASP 15 CO -0.00 0.91 0.34 0.03 -3.12 0.00 0.00 179.24 177.40 2doa h ARG 16 N 1.17 0.69 0.06 3.56 3.08 -1.39 -0.28 114.38 121.27 2doa h ARG 16 Ca 0.28 -0.05 -0.26 0.00 0.07 0.00 0.00 59.98 60.02 2doa h ARG 16 Cb 0.13 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.04 2doa h ARG 16 CO -0.03 0.47 -1.10 0.28 -1.07 0.00 0.00 179.97 178.51 2doa h VAL 17 N 0.70 1.37 -0.04 2.04 2.07 -1.28 -2.36 116.25 118.76 2doa h VAL 17 Ca 0.19 -2.56 -0.03 0.00 0.82 0.00 0.00 66.70 65.12 2doa h VAL 17 Cb -0.07 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 2doa h VAL 17 CO -0.04 0.77 -0.13 0.25 0.02 0.00 0.00 177.57 178.44 2doa h LEU 18 N 0.23 0.05 0.21 2.57 5.85 0.13 -1.71 115.31 122.63 2doa h LEU 18 Ca -0.13 -0.01 -0.33 0.00 0.84 0.00 0.00 57.88 58.25 2doa h LEU 18 Cb 1.77 -0.01 0.02 0.00 0.37 0.00 0.00 40.66 42.81 2doa h LEU 18 CO 0.20 0.18 -1.59 0.45 -0.34 0.00 0.00 178.44 177.34 2doa h HIS 19 N 0.05 0.79 0.41 1.25 3.86 -1.06 -3.14 115.15 117.31 2doa h HIS 19 Ca 0.01 -0.58 -0.02 0.00 -1.16 0.00 0.00 60.37 58.63 2doa h HIS 19 Cb 0.26 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.70 2doa h HIS 19 CO 0.00 1.62 -0.22 -0.07 0.86 0.00 0.00 177.93 180.12 2doa h LEU 20 N 0.07 -0.53 -1.81 2.43 3.38 -1.16 -2.40 115.31 115.28 2doa h LEU 20 Ca -0.30 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.71 2doa h LEU 20 Cb 2.08 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.97 2doa h LEU 20 CO 0.20 -0.36 0.16 -0.07 0.09 0.00 0.00 178.44 178.46 2doa h LEU 21 N -0.58 0.22 -1.18 1.67 3.38 -1.48 -1.72 115.31 115.61 2doa h LEU 21 Ca -0.05 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.94 2doa h LEU 21 Cb 0.46 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 2doa h LEU 21 CO 0.07 0.15 0.56 0.00 0.09 0.00 0.00 178.44 179.32 2doa h ALA 22 N 1.86 1.43 -0.18 1.53 0.00 -1.38 -3.27 119.26 119.26 2doa h ALA 22 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2doa h ALA 22 Cb 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2doa h ALA 22 CO -0.02 0.50 0.00 1.28 0.00 0.00 0.00 179.25 181.01 2doa n LEU 23 N -4.43 0.09 -3.96 0.00 4.77 -0.66 -4.91 117.00 107.90 2doa n LEU 23 Ca 0.10 0.71 -0.09 0.00 -0.03 0.00 0.00 56.01 56.70 2doa n LEU 23 Cb 0.07 -0.47 -0.11 0.00 -2.33 0.00 0.00 43.42 40.57 2doa n LEU 23 CO 0.36 -0.47 -0.35 0.00 -1.33 0.00 0.00 177.39 175.60 2doa s ARG 24 N -1.85 0.30 -0.23 3.23 1.70 -1.13 -4.96 118.95 116.00 2doa s ARG 24 Ca 0.00 -0.55 -0.34 0.00 -0.47 0.00 0.00 55.73 54.37 2doa s ARG 24 Cb 0.00 0.11 -0.11 0.00 -0.57 0.00 0.00 34.95 34.38 2doa s ARG 24 CO 0.00 -0.05 2.04 -2.30 -1.08 0.00 0.00 175.30 173.91 2doa n PRO 25 N 1.70 1.62 -3.78 3.89 -0.02 -1.26 -4.35 135.00 132.81 2doa n PRO 25 Ca -0.23 0.53 -0.37 0.00 -2.02 0.00 0.00 63.50 61.41 2doa n PRO 25 Cb 0.55 -2.62 -0.13 0.00 -0.02 0.00 0.00 33.50 31.29 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 5.96 3.10 1.01 6.00 2.02 -1.13 -4.83 117.35 129.49 2doa s TYR 26 Ca 1.01 -0.79 -0.17 0.00 -0.37 0.00 0.00 57.07 56.75 2doa s TYR 26 Cb -0.74 -2.23 0.26 0.00 -0.40 0.00 0.00 41.96 38.85 2doa s TYR 26 CO 0.49 -0.50 0.66 0.54 -1.57 0.00 0.00 175.55 175.17 2doa n ARG 27 N 4.88 -3.69 -0.02 -0.62 1.74 -1.26 -2.93 116.66 114.75 2doa n ARG 27 Ca -0.16 -1.10 -0.11 0.00 -0.77 0.00 0.00 57.85 55.72 2doa n ARG 27 Cb 0.49 -1.31 0.03 0.00 -1.02 0.00 0.00 32.46 30.66 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 0.00 0.66 0.13 5.56 1.57 -1.96 -1.82 116.57 120.71 2doa h LYS 28 Ca -0.28 -0.41 -0.28 0.00 -1.87 0.00 0.00 60.65 57.80 2doa h LYS 28 Cb 0.94 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.29 2doa h LYS 28 CO 0.17 1.02 -1.43 0.00 -0.57 0.00 0.00 179.45 178.65 2doa h ALA 29 N 0.90 0.14 -0.23 3.86 0.00 -1.91 -3.07 119.26 118.93 2doa h ALA 29 Ca 0.01 -1.06 -0.01 0.00 0.00 0.00 0.00 54.91 53.85 2doa h ALA 29 Cb 1.10 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 2doa h ALA 29 CO 0.11 0.82 0.08 1.49 0.00 0.00 0.00 179.25 181.75 2doa h GLU 30 N -0.22 0.32 0.02 0.00 4.81 -1.91 -1.86 114.58 115.74 2doa h GLU 30 Ca -0.30 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 58.70 2doa h GLU 30 Cb 1.83 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 31.12 2doa h GLU 30 CO 0.10 0.28 -0.93 1.25 -0.73 0.00 0.00 179.01 178.97 2doa h LEU 31 N 0.33 0.14 -0.59 1.64 5.85 -1.45 -3.24 115.31 117.99 2doa h LEU 31 Ca 0.08 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 2doa h LEU 31 Cb 0.09 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2doa h LEU 31 CO -0.01 1.00 0.15 -0.07 -0.34 0.00 0.00 178.44 179.17 2doa h LEU 32 N 0.05 0.89 -0.42 2.25 3.38 -1.25 -1.90 115.31 118.31 2doa h LEU 32 Ca -0.04 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2doa h LEU 32 Cb 1.61 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 2doa h LEU 32 CO 0.13 0.88 0.28 -0.07 0.09 0.00 0.00 178.44 179.75 2doa h LEU 33 N 0.85 0.48 0.22 1.67 3.38 -1.51 0.82 115.31 121.22 2doa h LEU 33 Ca 0.19 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2doa h LEU 33 Cb 0.33 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2doa h LEU 33 CO 0.00 0.35 -0.11 -0.09 0.09 0.00 0.00 178.44 178.68 2doa h ARG 34 N 0.57 -0.29 -0.09 1.13 9.65 -1.55 -0.54 114.38 123.26 2doa h ARG 34 Ca 0.15 0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 59.05 2doa h ARG 34 Cb -0.06 0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2doa h ARG 34 CO -0.03 -0.12 0.04 -0.07 2.80 0.00 0.00 179.97 182.58 2doa h LEU 35 N -0.39 0.11 -0.50 3.80 3.38 -1.21 -1.42 115.31 119.08 2doa h LEU 35 Ca -0.03 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 2doa h LEU 35 Cb 0.30 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2doa h LEU 35 CO 0.05 0.10 -0.74 1.56 0.09 0.00 0.00 178.44 179.50 2doa h GLN 36 N 0.12 0.09 -0.15 1.13 4.20 -0.45 -0.27 115.11 119.79 2doa h GLN 36 Ca 0.03 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.67 2doa h GLN 36 Cb 0.03 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2doa h GLN 36 CO -0.00 0.79 0.10 0.87 -0.67 0.00 0.00 178.83 179.92 2doa h LYS 37 N 0.06 0.13 0.00 1.46 1.79 0.04 -2.82 116.57 117.24 2doa h LYS 37 Ca -0.02 -0.01 -0.37 0.00 -2.18 0.00 0.00 60.65 58.08 2doa h LYS 37 Cb 1.31 -0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 31.86 2doa h LYS 37 CO 0.10 0.09 -2.35 -3.47 -1.08 0.00 0.00 179.45 172.74 2doa n ASP 38 N -4.51 0.70 0.00 0.86 -0.08 -1.18 -5.05 116.55 107.29 2doa n ASP 38 Ca -0.00 -0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 2doa n ASP 38 Cb 0.13 0.46 0.00 0.00 2.34 0.00 0.00 41.12 44.05 2doa n ASP 38 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2doa n GLY 39 N 1.89 2.70 2.95 0.27 0.00 -0.12 -5.00 105.19 107.88 2doa n GLY 39 Ca -0.36 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 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 0.96 0.00 0.99 2.96 -1.20 -4.71 118.68 117.68 2doa s LEU 40 Ca 0.00 0.29 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 2doa s LEU 40 Cb 0.00 0.40 -0.00 0.00 0.50 0.00 0.00 46.19 47.08 2doa s LEU 40 CO 0.00 -0.12 0.04 1.07 -1.32 0.00 0.00 176.35 176.02 2doa n THR 41 N 3.83 0.00 -0.33 3.68 5.66 -1.26 -4.90 114.28 120.96 2doa n THR 41 Ca -0.22 -1.42 -0.02 0.00 -3.05 0.00 0.00 64.05 59.34 2doa n THR 41 Cb 0.54 0.38 0.14 0.00 -1.55 0.00 0.00 70.33 69.85 2doa n THR 41 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 2doa h GLN 42 N 0.00 1.23 -0.55 1.09 1.08 -2.02 0.39 115.11 116.33 2doa h GLN 42 Ca -0.22 -0.09 0.01 0.00 -1.45 0.00 0.00 58.65 56.91 2doa h GLN 42 Cb 0.74 -0.27 -0.03 0.00 -0.05 0.00 0.00 27.48 27.87 2doa h GLN 42 CO 0.36 0.83 0.37 0.00 -0.95 0.00 0.00 178.83 179.44 2doa h ALA 43 N 1.40 1.64 0.00 3.87 0.00 -2.01 -2.26 119.26 121.90 2doa h ALA 43 Ca 0.34 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.97 2doa h ALA 43 Cb -0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 2doa h ALA 43 CO -0.07 0.32 -1.48 -0.44 0.00 0.00 0.00 179.25 177.58 2doa h ASP 44 N 0.72 0.00 0.40 0.00 5.19 -1.75 -3.32 116.42 117.66 2doa h ASP 44 Ca 0.21 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.61 2doa h ASP 44 Cb -0.03 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 2doa h ASP 44 CO -0.05 0.88 -0.27 0.11 -3.12 0.00 0.00 179.24 176.79 2doa h LYS 45 N 0.00 -0.63 -0.14 3.56 1.79 0.30 0.98 116.57 122.43 2doa h LYS 45 Ca -0.20 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 2doa h LYS 45 Cb 1.85 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 32.64 2doa h LYS 45 CO 0.08 -0.42 0.09 -0.44 -1.08 0.00 0.00 179.45 177.68 2doa h ASP 46 N -0.66 0.15 0.56 0.86 5.19 -1.63 -1.37 116.42 119.52 2doa h ASP 46 Ca -0.04 -0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.21 2doa h ASP 46 Cb 0.55 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.01 2doa h ASP 46 CO 0.02 0.11 -0.71 0.00 -3.12 0.00 0.00 179.24 175.54 2doa h ALA 47 N 1.92 0.77 -0.04 3.45 0.00 -1.51 -3.08 119.26 120.76 2doa h ALA 47 Ca 0.05 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2doa h ALA 47 Cb -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2doa h ALA 47 CO -0.01 0.83 0.01 1.25 0.00 0.00 0.00 179.25 181.33 2doa h LEU 48 N 0.09 0.01 -0.48 0.00 5.85 0.35 0.52 115.31 121.64 2doa h LEU 48 Ca -0.02 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2doa h LEU 48 Cb 1.26 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 2doa h LEU 48 CO 0.10 0.01 0.29 -0.78 -0.34 0.00 0.00 178.44 177.73 2doa h ASP 49 N 0.03 0.57 0.23 1.25 1.82 -1.57 0.14 116.42 118.88 2doa h ASP 49 Ca 0.02 -0.05 -0.13 0.00 -0.39 0.00 0.00 57.03 56.48 2doa h ASP 49 Cb 0.01 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 39.87 2doa h ASP 49 CO -0.02 0.44 -0.50 1.23 -1.61 0.00 0.00 179.24 178.79 2doa h GLY 50 N 0.64 0.33 0.50 -0.78 0.00 -1.42 -2.88 103.07 99.46 2doa h GLY 50 Ca 0.17 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 2doa h GLY 50 CO -0.03 0.32 -0.11 -2.00 0.00 0.00 0.00 176.54 174.72 2doa h LEU 51 N 0.24 0.16 -0.54 3.11 5.85 0.37 -3.16 115.31 121.34 2doa h LEU 51 Ca 0.01 -0.62 0.09 0.00 0.84 0.00 0.00 57.88 58.20 2doa h LEU 51 Cb 0.96 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.87 2doa h LEU 51 CO 0.08 0.75 0.15 -0.07 -0.34 0.00 0.00 178.44 179.01 2doa h LEU 52 N -0.43 0.08 -2.43 2.25 3.38 -0.75 0.67 115.31 118.07 2doa h LEU 52 Ca -0.00 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.06 2doa h LEU 52 Cb 0.74 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 2doa h LEU 52 CO 0.02 0.07 0.05 1.56 0.09 0.00 0.00 178.44 180.23 2doa h GLN 53 N 0.30 0.00 0.00 1.13 1.08 -1.57 0.73 115.11 116.78 2doa h GLN 53 Ca 0.27 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.35 2doa h GLN 53 Cb 0.36 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 2doa h GLN 53 CO -0.32 0.00 -1.00 0.94 -0.95 0.00 0.00 178.83 177.50 2doa n GLN 54 N -3.80 0.51 -1.13 1.46 7.27 0.36 -4.41 117.38 117.64 2doa n GLN 54 Ca -0.02 0.49 -0.25 0.00 0.07 0.00 0.00 57.00 57.29 2doa n GLN 54 Cb 0.14 -1.67 0.11 0.00 2.41 0.00 0.00 30.24 31.23 2doa n GLN 54 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 2doa n VAL 55 N -4.50 3.16 -3.61 1.69 0.24 0.21 -4.91 118.33 110.60 2doa n VAL 55 Ca -0.21 -2.14 -0.04 0.00 -2.04 0.00 0.00 64.34 59.91 2doa n VAL 55 Cb 0.49 -0.91 -0.02 0.00 -1.47 0.00 0.00 33.84 31.93 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 -3.05 -2.09 -0.02 2.33 0.00 0.25 -4.40 121.76 114.79 2doa s ALA 56 Ca 0.52 1.67 0.08 0.00 0.00 0.00 0.00 51.96 54.23 2doa s ALA 56 Cb 0.42 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 2doa s ALA 56 CO 0.04 -0.53 -0.25 -0.80 0.00 0.00 0.00 175.76 174.21 2doa s ASN 57 N -1.97 2.97 0.23 0.00 0.01 0.11 -4.11 114.94 112.18 2doa s ASN 57 Ca 0.09 -0.46 -0.24 0.00 -0.71 0.00 0.00 52.86 51.55 2doa s ASN 57 Cb -0.01 -0.33 -0.09 0.00 0.41 0.00 0.00 41.25 41.23 2doa s ASN 57 CO -0.04 0.31 0.80 -0.32 -1.51 0.00 0.00 177.10 176.34 2doa s MET 58 N -0.59 4.47 0.92 -0.60 1.75 -1.26 -0.98 119.30 123.00 2doa s MET 58 Ca 0.10 1.10 -0.13 0.00 -1.25 0.00 0.00 55.69 55.51 2doa s MET 58 Cb -0.10 -3.02 0.14 0.00 2.84 0.00 0.00 34.83 34.70 2doa s MET 58 CO -0.01 0.44 1.15 0.45 -0.65 0.00 0.00 175.02 176.39 2doa s SER 59 N -1.44 3.47 -0.27 1.11 0.15 0.12 -4.92 113.70 111.93 2doa s SER 59 Ca 0.42 0.92 0.09 0.00 0.70 0.00 0.00 55.95 58.08 2doa s SER 59 Cb -0.20 -1.46 0.46 0.00 -1.71 0.00 0.00 66.02 63.11 2doa s SER 59 CO 0.24 -2.57 1.33 0.00 1.20 0.00 0.00 173.24 173.44 2doa n ALA 60 N -3.77 4.26 0.00 5.45 0.00 -1.26 -4.52 120.51 120.67 2doa n ALA 60 Ca 0.07 -3.36 0.00 0.00 0.00 0.00 0.00 53.44 50.15 2doa n ALA 60 Cb 0.59 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.52 2doa n ALA 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2doa n LYS 61 N -1.04 0.00 0.08 0.00 5.02 -1.26 -5.04 118.16 115.92 2doa n LYS 61 Ca 0.30 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 2doa n LYS 61 Cb 0.86 -0.20 0.00 0.00 -0.02 0.00 0.00 35.03 35.67 2doa n LYS 61 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2doa n ASP 62 N -2.51 0.57 0.00 4.39 -0.08 -1.26 -5.08 116.55 112.58 2doa n ASP 62 Ca 0.00 0.24 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 2doa n ASP 62 Cb 0.13 -0.06 0.00 0.00 2.34 0.00 0.00 41.12 43.54 2doa n ASP 62 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2doa n GLY 63 N 2.78 0.00 3.83 0.27 0.00 -1.26 -4.99 105.19 105.82 2doa n GLY 63 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 4.77 -0.37 2.61 2.01 -1.26 -3.90 115.64 119.50 2doa s THR 64 Ca 0.00 1.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.89 2doa s THR 64 Cb 0.00 -3.79 0.02 0.00 0.01 0.00 0.00 72.50 68.74 2doa s THR 64 CO 0.00 0.30 0.21 0.00 -0.69 0.00 0.00 174.62 174.43 2doa s THR 66 N 1.57 5.00 0.53 0.00 -4.23 -0.16 -2.82 115.64 115.53 2doa s THR 66 Ca 0.02 -0.21 -0.19 0.00 -1.18 0.00 0.00 61.69 60.13 2doa s THR 66 Cb -0.19 -3.26 -0.07 0.00 1.34 0.00 0.00 72.50 70.33 2doa s THR 66 CO 0.07 0.42 1.08 -0.22 -0.54 0.00 0.00 174.62 175.43 2doa s LEU 67 N -1.55 3.75 0.77 4.79 2.96 -1.26 0.09 118.68 128.22 2doa s LEU 67 Ca 0.21 2.01 -0.11 0.00 -0.22 0.00 0.00 54.13 56.02 2doa s LEU 67 Cb -0.12 -4.56 0.05 0.00 0.50 0.00 0.00 46.19 42.06 2doa s LEU 67 CO 0.12 -1.03 1.08 -1.10 -1.32 0.00 0.00 176.35 174.11 2doa s GLN 68 N -3.40 2.34 0.22 1.98 -0.21 -1.26 -4.85 119.66 114.48 2doa s GLN 68 Ca 0.69 0.77 0.08 0.00 0.02 0.00 0.00 55.36 56.91 2doa s GLN 68 Cb -0.19 -1.94 0.17 0.00 1.00 0.00 0.00 33.01 32.05 2doa s GLN 68 CO 0.26 -1.48 1.50 0.22 -2.12 0.00 0.00 175.29 173.67 2doa h ASP 69 N -0.99 0.06 0.67 5.90 3.58 -1.99 -2.97 116.42 120.68 2doa h ASP 69 Ca -0.46 -0.04 -0.26 0.00 0.42 0.00 0.00 57.03 56.68 2doa h ASP 69 Cb 1.25 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 42.25 2doa h ASP 69 CO 0.58 0.77 -1.41 0.00 -2.88 0.00 0.00 179.24 176.30 2doa h MET 71 N 0.01 0.00 -0.44 0.00 2.86 -1.94 -2.82 114.93 112.59 2doa h MET 71 Ca -0.18 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.58 2doa h MET 71 Cb 1.92 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.56 2doa h MET 71 CO 0.11 0.26 0.32 1.88 1.06 0.00 0.00 176.91 180.53 2doa h TYR 72 N 0.00 0.06 -0.05 -0.22 0.05 -1.61 0.87 116.97 116.07 2doa h TYR 72 Ca -0.00 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 2doa h TYR 72 Cb 0.63 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.34 2doa h TYR 72 CO 0.00 0.03 -0.24 0.87 -1.05 0.00 0.00 178.16 177.77 2doa h LYS 73 N 0.06 0.08 -0.02 4.88 1.79 -1.71 -2.37 116.57 119.28 2doa h LYS 73 Ca 0.21 -0.02 -0.11 0.00 -2.18 0.00 0.00 60.65 58.54 2doa h LYS 73 Cb 0.77 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.39 2doa h LYS 73 CO -0.01 0.33 -0.51 -0.44 -1.08 0.00 0.00 179.45 177.73 2doa h ASP 74 N 0.08 0.07 -2.19 0.86 3.32 -0.99 -3.43 116.42 114.13 2doa h ASP 74 Ca 0.01 -0.03 -0.56 0.00 0.02 0.00 0.00 57.03 56.47 2doa h ASP 74 Cb 0.48 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.02 2doa h ASP 74 CO 0.03 0.57 1.33 0.52 -1.72 0.00 0.00 179.24 179.97 2doa n VAL 75 N -3.93 0.61 -2.12 -1.35 0.31 -0.89 -4.96 118.33 106.00 2doa n VAL 75 Ca -0.02 -0.26 -0.32 0.00 -0.01 0.00 0.00 64.34 63.74 2doa n VAL 75 Cb 0.53 -2.39 -0.01 0.00 -0.91 0.00 0.00 33.84 31.07 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 5.16 3.65 -0.43 5.55 -0.21 -1.26 -4.97 119.66 127.15 2doa s GLN 76 Ca 0.94 0.94 0.05 0.00 0.02 0.00 0.00 55.36 57.30 2doa s GLN 76 Cb -0.41 -2.09 0.66 0.00 1.00 0.00 0.00 33.01 32.17 2doa s GLN 76 CO 0.40 -0.52 1.87 1.63 -2.12 0.00 0.00 175.29 176.55 2doa n LYS 77 N -2.12 2.28 -1.31 2.91 5.02 -1.26 -4.20 118.16 119.48 2doa n LYS 77 Ca 0.07 -3.03 0.02 0.00 -2.02 0.00 0.00 58.31 53.35 2doa n LYS 77 Cb 0.54 -2.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.40 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 0.57 -4.71 4.39 9.92 -1.26 -5.10 116.55 119.26 2doa n ASP 78 Ca 0.57 -1.98 -0.42 0.00 -0.53 0.00 0.00 54.79 52.43 2doa n ASP 78 Cb 1.61 -0.19 -0.03 0.00 -0.64 0.00 0.00 41.12 41.87 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 0.00 2.69 0.40 1.24 -0.11 -1.26 -4.88 118.94 117.02 2doa s TRP 79 Ca 0.25 0.32 0.26 0.00 1.22 0.00 0.00 56.10 58.15 2doa s TRP 79 Cb 0.29 -4.07 1.37 0.00 -1.50 0.00 0.00 33.47 29.56 2doa s TRP 79 CO -0.12 -4.15 2.05 -1.00 -4.62 0.00 0.00 176.95 169.10 2doa h PRO 80 N 7.48 0.00 -0.63 5.86 0.13 -1.94 -2.98 132.00 139.91 2doa h PRO 80 Ca -0.44 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.74 2doa h PRO 80 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 2doa h PRO 80 CO 0.94 0.13 0.36 0.78 -0.23 0.00 0.00 178.00 179.99 2doa h GLY 81 N 0.88 0.92 -0.34 1.56 0.00 -1.93 -3.43 103.07 100.72 2doa h GLY 81 Ca -0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 46.93 2doa h GLY 81 CO 0.02 0.19 -0.06 -1.72 0.00 0.00 0.00 176.54 174.97 2doa n TYR 82 N -4.77 -2.69 0.06 5.60 4.01 -1.13 -5.02 117.16 113.22 2doa n TYR 82 Ca 0.07 -0.30 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 2doa n TYR 82 Cb 0.13 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.71 2doa n TYR 82 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2doa n SER 83 N -4.02 -0.87 0.19 7.72 7.64 -1.26 -5.03 113.62 117.99 2doa n SER 83 Ca 0.05 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2doa n SER 83 Cb 0.22 1.12 0.00 0.00 -1.01 0.00 0.00 64.21 64.53 2doa n SER 83 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2doa n GLU 84 N -2.74 0.00 -0.20 1.43 2.13 -1.26 -4.92 120.64 115.08 2doa n GLU 84 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 2doa n GLU 84 Cb 0.00 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.73 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 1.15 1.85 8.31 0.00 -2.00 -2.85 103.07 109.53 2doa h GLY 85 Ca 0.00 -0.90 -0.08 0.00 0.00 0.00 0.00 47.33 46.36 2doa h GLY 85 CO 0.00 0.82 -0.31 -0.55 0.00 0.00 0.00 176.54 176.51 2doa h ASP 86 N 0.95 0.17 -0.55 0.19 3.32 -1.96 -1.98 116.42 116.56 2doa h ASP 86 Ca 0.15 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 2doa h ASP 86 Cb 0.64 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 2doa h ASP 86 CO 0.04 0.48 0.05 1.56 -1.72 0.00 0.00 179.24 179.66 2doa h GLN 87 N 0.16 0.94 -0.02 3.56 4.20 -1.86 -1.12 115.11 120.95 2doa h GLN 87 Ca 0.02 -0.27 -0.15 0.00 0.06 0.00 0.00 58.65 58.31 2doa h GLN 87 Cb 0.62 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 2doa h GLN 87 CO 0.05 0.92 -0.67 1.96 -0.67 0.00 0.00 178.83 180.41 2doa h GLN 88 N 0.82 0.11 -0.00 1.46 4.20 -1.29 -2.90 115.11 117.51 2doa h GLN 88 Ca 0.16 -0.09 -0.14 0.00 0.06 0.00 0.00 58.65 58.65 2doa h GLN 88 Cb 0.46 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 2doa h GLN 88 CO 0.02 0.74 -0.65 1.25 -0.67 0.00 0.00 178.83 179.52 2doa h LEU 89 N 0.08 0.00 -0.50 1.46 5.85 -1.14 -3.05 115.31 118.00 2doa h LEU 89 Ca -0.01 -0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.55 2doa h LEU 89 Cb 1.20 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 2doa h LEU 89 CO 0.10 0.65 -0.75 0.25 -0.34 0.00 0.00 178.44 178.35 2doa h LEU 90 N 0.00 0.05 0.12 2.25 5.85 -1.12 -3.12 115.31 119.35 2doa h LEU 90 Ca -0.01 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2doa h LEU 90 Cb 1.15 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2doa h LEU 90 CO 0.08 0.78 -0.06 0.11 -0.34 0.00 0.00 178.44 179.01 2doa h LYS 91 N 0.03 -0.16 -0.30 1.25 1.57 -1.41 -1.33 116.57 116.21 2doa h LYS 91 Ca -0.01 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 2doa h LYS 91 Cb 1.32 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.65 2doa h LYS 91 CO 0.10 0.18 0.21 0.07 -0.57 0.00 0.00 179.45 179.45 2doa h ARG 92 N -0.52 0.01 0.03 3.15 0.11 -1.61 -1.43 114.38 114.13 2doa h ARG 92 Ca -0.02 -0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.87 2doa h ARG 92 Cb 0.41 -0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.51 2doa h ARG 92 CO 0.03 0.01 -0.76 0.28 0.10 0.00 0.00 179.97 179.63 2doa h VAL 93 N 0.01 1.40 -0.89 0.08 2.07 -1.46 -2.25 116.25 115.22 2doa h VAL 93 Ca 0.14 -2.19 -0.01 0.00 0.82 0.00 0.00 66.70 65.46 2doa h VAL 93 Cb 0.55 2.64 -0.04 0.00 -1.52 0.00 0.00 31.29 32.92 2doa h VAL 93 CO -0.00 0.65 0.52 -0.07 0.02 0.00 0.00 177.57 178.68 2doa h LEU 94 N -0.02 1.08 -0.20 2.57 3.38 -0.38 0.18 115.31 121.92 2doa h LEU 94 Ca -0.10 -0.07 -0.20 0.00 0.09 0.00 0.00 57.88 57.59 2doa h LEU 94 Cb 1.47 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.95 2doa h LEU 94 CO 0.15 0.84 -0.68 0.58 0.09 0.00 0.00 178.44 179.42 2doa h VAL 95 N 1.23 1.28 -0.19 1.22 2.07 -1.36 0.25 116.25 120.75 2doa h VAL 95 Ca 0.32 -1.87 -0.08 0.00 0.82 0.00 0.00 66.70 65.88 2doa h VAL 95 Cb -0.03 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 2doa h VAL 95 CO -0.06 0.60 -0.25 -0.09 0.02 0.00 0.00 177.57 177.79 2doa h ARG 96 N 0.55 0.35 0.00 1.57 2.43 -1.08 -3.26 114.38 114.94 2doa h ARG 96 Ca -0.03 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 58.94 2doa h ARG 96 Cb 1.30 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 2doa h ARG 96 CO 0.14 0.58 -0.46 0.87 -1.51 0.00 0.00 179.97 179.60 2doa h LYS 97 N 0.32 0.00 -4.37 0.20 1.79 -0.94 -3.41 116.57 110.16 2doa h LYS 97 Ca 0.05 0.00 -0.75 0.00 -2.18 0.00 0.00 60.65 57.77 2doa h LYS 97 Cb 0.61 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.05 2doa h LYS 97 CO 0.04 0.83 0.90 -0.51 -1.08 0.00 0.00 179.45 179.63 2doa s LEU 98 N -8.14 5.58 0.21 2.94 1.43 0.88 -5.01 118.68 116.57 2doa s LEU 98 Ca -0.20 -2.99 0.01 0.00 -1.03 0.00 0.00 54.13 49.92 2doa s LEU 98 Cb 0.01 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 2doa s LEU 98 CO 0.55 -0.65 0.38 -0.44 0.23 0.00 0.00 176.35 176.42 2doa s SER 99 N 2.47 6.36 0.00 2.29 0.01 -1.24 -4.61 113.70 118.99 2doa s SER 99 Ca 0.35 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.94 2doa s SER 99 Cb -0.06 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.20 2doa s SER 99 CO -0.05 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.17 2doa n GLY 100 N -0.80 1.06 3.68 3.44 0.00 -1.26 -4.96 105.19 106.34 2doa n GLY 100 Ca -0.06 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 2doa n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2doa s PRO 101 N 0.65 4.23 0.07 1.61 0.04 -1.26 -5.00 135.00 135.34 2doa s PRO 101 Ca 0.00 2.08 -0.11 0.00 0.04 0.00 0.00 61.00 63.01 2doa s PRO 101 Cb 0.00 -3.73 0.01 0.00 0.04 0.00 0.00 34.50 30.83 2doa s PRO 101 CO 0.00 -0.70 0.26 -1.12 0.04 0.00 0.00 177.00 175.47 2doa s SER 102 N 2.46 -0.02 0.07 6.66 0.01 -1.26 -5.09 113.70 116.53 2doa s SER 102 Ca 0.68 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.53 2doa s SER 102 Cb -0.33 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.26 2doa s SER 102 CO 0.28 -0.68 0.00 -1.54 0.41 0.00 0.00 173.24 171.70 2doa n SER 103 N 0.24 0.79 0.00 2.44 3.41 -1.26 -5.26 113.62 113.97 2doa n SER 103 Ca -0.17 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 2doa n SER 103 Cb 0.61 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 2doa n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49