#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 4.10 -0.13 1.61 0.01 -1.26 -5.13 113.70 112.90 2doa s SER 2 Ca 0.00 -0.40 -0.29 0.00 1.31 0.00 0.00 55.95 56.56 2doa s SER 2 Cb 0.00 -0.73 0.09 0.00 0.21 0.00 0.00 66.02 65.59 2doa s SER 2 CO 0.00 0.22 0.82 -0.44 0.41 0.00 0.00 173.24 174.25 2doa s SER 3 N -1.79 -0.55 -0.20 2.44 0.01 -1.26 -5.16 113.70 107.18 2doa s SER 3 Ca 0.18 0.71 -0.07 0.00 1.31 0.00 0.00 55.95 58.08 2doa s SER 3 Cb -0.11 0.60 0.09 0.00 0.21 0.00 0.00 66.02 66.81 2doa s SER 3 CO 0.09 -0.44 0.42 -0.83 0.41 0.00 0.00 173.24 172.89 2doa s GLY 4 N -0.85 -0.36 0.21 3.44 0.00 -1.26 -5.16 107.32 103.33 2doa s GLY 4 Ca -0.05 1.51 -0.23 0.00 0.00 0.00 0.00 44.72 45.95 2doa s GLY 4 CO 0.05 2.37 0.88 -0.45 0.00 0.00 0.00 173.10 175.95 2doa s SER 5 N 2.53 -0.18 0.00 1.64 0.15 -1.26 -5.11 113.70 111.47 2doa s SER 5 Ca -0.02 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.11 2doa s SER 5 Cb -0.12 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 2doa s SER 5 CO -0.13 -1.08 0.00 -1.54 1.20 0.00 0.00 173.24 171.69 2doa n SER 6 N -0.56 0.00 -3.62 5.45 3.41 -1.26 -5.14 113.62 111.90 2doa n SER 6 Ca -0.05 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.30 2doa n SER 6 Cb 0.60 0.18 0.19 0.00 -0.26 0.00 0.00 64.21 64.92 2doa n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2doa n GLY 7 N -1.17 -1.78 5.00 5.00 0.00 -1.26 -3.76 105.19 107.22 2doa n GLY 7 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.86 0.00 0.19 1.61 0.31 -1.26 -4.09 118.33 111.22 2doa n VAL 8 Ca 0.14 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.61 2doa n VAL 8 Cb 0.51 0.00 0.70 0.00 -0.91 0.00 0.00 33.84 34.15 2doa n VAL 8 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2doa h SER 9 N 0.00 0.00 0.03 4.52 0.87 -1.88 -1.71 113.55 115.38 2doa h SER 9 Ca 0.00 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.30 2doa h SER 9 Cb 0.00 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 61.98 2doa h SER 9 CO 0.00 0.00 -1.05 -0.61 -0.53 0.00 0.00 176.83 174.64 2doa h GLN 10 N 0.00 0.67 -7.17 2.24 5.75 -1.71 -3.46 115.11 111.43 2doa h GLN 10 Ca 0.08 -0.75 -0.53 0.00 -0.15 0.00 0.00 58.65 57.29 2doa h GLN 10 Cb 0.34 0.22 0.19 0.00 1.07 0.00 0.00 27.48 29.30 2doa h GLN 10 CO -0.00 1.32 0.24 0.54 -2.65 0.00 0.00 178.83 178.28 2doa n ARG 11 N -3.87 0.04 -0.36 1.69 5.12 -0.64 -4.98 116.66 113.65 2doa n ARG 11 Ca -0.12 0.09 -0.14 0.00 -1.93 0.00 0.00 57.85 55.75 2doa n ARG 11 Cb 0.89 -2.38 0.14 0.00 -1.16 0.00 0.00 32.46 29.95 2doa n ARG 11 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 2doa n PRO 12 N -3.29 -1.63 -0.04 5.56 -0.02 -1.26 -4.86 135.00 129.45 2doa n PRO 12 Ca 0.13 -0.68 -0.10 0.00 -2.02 0.00 0.00 63.50 60.83 2doa n PRO 12 Cb 0.51 -1.23 -0.14 0.00 -0.02 0.00 0.00 33.50 32.61 2doa n PRO 12 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2doa n PHE 13 N -4.25 0.77 -0.18 6.00 7.35 -1.26 -3.53 117.46 122.36 2doa n PHE 13 Ca 0.06 0.27 -0.06 0.00 -0.76 0.00 0.00 57.45 56.96 2doa n PHE 13 Cb 0.28 -1.14 0.11 0.00 0.35 0.00 0.00 39.48 39.08 2doa n PHE 13 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 2doa h ARG 14 N 0.00 0.97 -0.02 -4.13 2.43 -2.00 -2.68 114.38 108.96 2doa h ARG 14 Ca -0.36 -0.25 -0.20 0.00 -0.81 0.00 0.00 59.98 58.36 2doa h ARG 14 Cb 2.07 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 31.49 2doa h ARG 14 CO 0.07 0.90 -0.85 -0.44 -1.51 0.00 0.00 179.97 178.14 2doa h ASP 15 N 0.91 0.36 -0.73 -3.80 3.32 -1.94 0.11 116.42 114.65 2doa h ASP 15 Ca 0.18 -0.28 0.01 0.00 0.02 0.00 0.00 57.03 56.97 2doa h ASP 15 Cb 0.42 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 2doa h ASP 15 CO 0.01 1.05 0.48 0.03 -1.72 0.00 0.00 179.24 179.09 2doa h ARG 16 N 0.17 0.95 0.11 3.56 3.08 -1.55 0.74 114.38 121.44 2doa h ARG 16 Ca -0.05 -0.06 -0.33 0.00 0.07 0.00 0.00 59.98 59.62 2doa h ARG 16 Cb 1.46 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 2doa h ARG 16 CO 0.14 0.63 -1.73 0.28 -1.07 0.00 0.00 179.97 178.21 2doa h VAL 17 N 0.97 0.91 -0.86 2.04 2.07 -1.51 -3.19 116.25 116.68 2doa h VAL 17 Ca 0.27 -2.60 -0.01 0.00 0.82 0.00 0.00 66.70 65.17 2doa h VAL 17 Cb -0.10 2.63 -0.04 0.00 -1.52 0.00 0.00 31.29 32.25 2doa h VAL 17 CO -0.06 0.79 0.49 0.25 0.02 0.00 0.00 177.57 179.06 2doa h LEU 18 N 0.06 1.06 -0.49 2.57 5.85 -0.68 -1.90 115.31 121.78 2doa h LEU 18 Ca -0.32 -0.09 -0.16 0.00 0.84 0.00 0.00 57.88 58.15 2doa h LEU 18 Cb 2.03 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.79 2doa h LEU 18 CO 0.13 0.84 -0.53 0.45 -0.34 0.00 0.00 178.44 178.99 2doa h HIS 19 N 1.19 0.79 0.91 1.25 3.86 -0.99 -2.39 115.15 119.76 2doa h HIS 19 Ca 0.30 -0.27 -0.04 0.00 -1.16 0.00 0.00 60.37 59.20 2doa h HIS 19 Cb 0.00 -0.15 0.01 0.00 1.06 0.00 0.00 27.41 28.33 2doa h HIS 19 CO 0.00 1.02 -0.44 -0.07 0.86 0.00 0.00 177.93 179.31 2doa h LEU 20 N 0.49 -1.04 -2.13 2.43 3.38 -1.45 -2.67 115.31 114.32 2doa h LEU 20 Ca 0.02 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2doa h LEU 20 Cb 1.08 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 2doa h LEU 20 CO 0.10 -0.73 0.06 -0.07 0.09 0.00 0.00 178.44 177.90 2doa h LEU 21 N -1.25 0.00 -0.18 1.67 3.38 -1.43 -2.40 115.31 115.08 2doa h LEU 21 Ca -0.13 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.87 2doa h LEU 21 Cb 0.94 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 2doa h LEU 21 CO 0.21 0.00 0.02 0.00 0.09 0.00 0.00 178.44 178.75 2doa h ALA 22 N 1.95 0.17 0.84 1.53 0.00 -1.09 -3.17 119.26 119.49 2doa h ALA 22 Ca 0.04 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2doa h ALA 22 Cb 0.16 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.03 2doa h ALA 22 CO -0.00 -0.42 -0.40 -0.07 0.00 0.00 0.00 179.25 178.36 2doa h LEU 23 N 0.08 -0.95 -7.37 0.00 3.38 -1.23 -3.48 115.31 105.74 2doa h LEU 23 Ca 0.08 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2doa h LEU 23 Cb 0.09 0.25 -0.12 0.00 0.09 0.00 0.00 40.66 40.97 2doa h LEU 23 CO -0.13 -0.63 0.03 0.00 0.09 0.00 0.00 178.44 177.80 2doa s ARG 24 N -5.30 1.21 0.68 1.13 1.70 -1.16 -4.92 118.95 112.29 2doa s ARG 24 Ca -0.16 -0.69 -0.17 0.00 -0.47 0.00 0.00 55.73 54.24 2doa s ARG 24 Cb 0.02 0.52 -0.05 0.00 -0.57 0.00 0.00 34.95 34.86 2doa s ARG 24 CO 0.49 -0.50 0.60 -2.30 -1.08 0.00 0.00 175.30 172.51 2doa n PRO 25 N -0.30 0.42 -3.67 3.89 -0.02 -1.26 -4.16 135.00 129.89 2doa n PRO 25 Ca -0.15 0.18 -0.11 0.00 -2.02 0.00 0.00 63.50 61.40 2doa n PRO 25 Cb 0.64 -1.86 -0.12 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 -1.82 -0.55 1.11 6.00 2.02 -0.87 -4.96 117.35 118.27 2doa s TYR 26 Ca 0.68 1.16 -0.16 0.00 -0.37 0.00 0.00 57.07 58.38 2doa s TYR 26 Cb -0.38 0.11 0.24 0.00 -0.40 0.00 0.00 41.96 41.54 2doa s TYR 26 CO 0.55 -0.38 1.11 1.03 -1.57 0.00 0.00 175.55 176.30 2doa s ARG 27 N 2.23 -0.44 0.19 -0.62 0.52 -1.26 -1.74 118.95 117.83 2doa s ARG 27 Ca -0.02 0.16 -0.07 0.00 -0.52 0.00 0.00 55.73 55.28 2doa s ARG 27 Cb -0.11 -1.67 0.11 0.00 0.52 0.00 0.00 34.95 33.80 2doa s ARG 27 CO -0.10 -3.24 1.59 0.87 0.02 0.00 0.00 175.30 174.44 2doa h LYS 28 N -2.25 0.85 0.12 3.54 1.57 -1.98 0.68 116.57 119.11 2doa h LYS 28 Ca -0.49 -0.36 -0.28 0.00 -1.87 0.00 0.00 60.65 57.64 2doa h LYS 28 Cb 1.31 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.59 2doa h LYS 28 CO 0.45 1.00 -1.35 0.00 -0.57 0.00 0.00 179.45 178.99 2doa h ALA 29 N 0.98 0.17 -0.10 3.86 0.00 -1.92 -1.75 119.26 120.50 2doa h ALA 29 Ca 0.09 -0.97 -0.15 0.00 0.00 0.00 0.00 54.91 53.88 2doa h ALA 29 Cb 0.79 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2doa h ALA 29 CO 0.07 1.04 -0.59 1.49 0.00 0.00 0.00 179.25 181.26 2doa h GLU 30 N 0.07 0.33 0.12 0.00 4.81 -1.91 -2.63 114.58 115.37 2doa h GLU 30 Ca -0.17 -0.22 -0.29 0.00 -0.13 0.00 0.00 59.36 58.54 2doa h GLU 30 Cb 1.99 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 31.39 2doa h GLU 30 CO 0.19 0.83 -1.40 1.25 -0.73 0.00 0.00 179.01 179.15 2doa h LEU 31 N 0.25 0.38 0.00 1.64 5.85 -0.95 -3.16 115.31 119.33 2doa h LEU 31 Ca -0.00 -0.48 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 2doa h LEU 31 Cb 1.11 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2doa h LEU 31 CO 0.10 1.39 -0.00 -0.07 -0.34 0.00 0.00 178.44 179.51 2doa h LEU 32 N 0.07 -0.00 -0.64 2.25 3.38 -1.30 -0.66 115.31 118.40 2doa h LEU 32 Ca -0.19 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.71 2doa h LEU 32 Cb 1.99 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.71 2doa h LEU 32 CO 0.18 0.08 0.42 -0.07 0.09 0.00 0.00 178.44 179.14 2doa h LEU 33 N -0.08 0.74 0.15 1.67 3.38 -1.60 0.10 115.31 119.67 2doa h LEU 33 Ca -0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2doa h LEU 33 Cb 0.08 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2doa h LEU 33 CO 0.00 0.53 -0.07 -0.09 0.09 0.00 0.00 178.44 178.90 2doa h ARG 34 N 0.87 -0.19 -0.11 1.13 1.12 -1.48 -2.48 114.38 113.24 2doa h ARG 34 Ca 0.23 0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 59.07 2doa h ARG 34 Cb -0.10 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 29.89 2doa h ARG 34 CO -0.05 -0.11 -0.14 -0.07 -3.11 0.00 0.00 179.97 176.49 2doa h LEU 35 N -0.21 0.16 -1.74 3.80 3.38 -0.92 -2.18 115.31 117.59 2doa h LEU 35 Ca -0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2doa h LEU 35 Cb 0.17 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2doa h LEU 35 CO 0.03 0.31 0.09 -0.61 0.09 0.00 0.00 178.44 178.35 2doa h GLN 36 N 0.16 0.26 -0.27 1.13 4.15 -0.35 0.59 115.11 120.78 2doa h GLN 36 Ca 0.03 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.36 2doa h GLN 36 Cb 0.34 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 2doa h GLN 36 CO 0.02 0.21 -0.13 0.87 -1.93 0.00 0.00 178.83 177.86 2doa h LYS 37 N 0.26 0.46 0.00 1.69 1.57 -1.10 -3.28 116.57 116.17 2doa h LYS 37 Ca 0.07 -0.13 -0.25 0.00 -1.87 0.00 0.00 60.65 58.46 2doa h LYS 37 Cb 0.04 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 2doa h LYS 37 CO -0.01 0.59 -1.38 -0.25 -0.57 0.00 0.00 179.45 177.84 2doa n ASP 38 N -4.20 1.87 -3.15 0.86 8.00 -0.59 -5.01 116.55 114.33 2doa n ASP 38 Ca 0.00 0.41 0.05 0.00 0.71 0.00 0.00 54.79 55.96 2doa n ASP 38 Cb 0.32 -0.95 -0.03 0.00 -0.02 0.00 0.00 41.12 40.44 2doa n ASP 38 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2doa s GLY 39 N -4.92 0.18 -0.29 0.44 0.00 0.20 -4.82 107.32 98.10 2doa s GLY 39 Ca -0.29 3.51 -0.15 0.00 0.00 0.00 0.00 44.72 47.79 2doa s GLY 39 CO 0.59 3.69 0.85 -2.27 0.00 0.00 0.00 173.10 175.96 2doa s LEU 40 N 2.46 -0.75 0.00 0.66 2.96 -1.25 -4.53 118.68 118.23 2doa s LEU 40 Ca -0.05 1.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.98 2doa s LEU 40 Cb -0.04 1.99 0.00 0.00 0.50 0.00 0.00 46.19 48.64 2doa s LEU 40 CO -0.11 -0.17 0.00 0.35 -1.32 0.00 0.00 176.35 175.10 2doa n THR 41 N 4.44 0.00 0.00 3.68 -2.24 -1.26 -4.89 114.28 114.00 2doa n THR 41 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2doa n THR 41 Cb 0.55 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 2doa n THR 41 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2doa n GLN 42 N -1.62 0.00 0.19 -0.78 0.00 -1.26 -4.75 117.38 109.15 2doa n GLN 42 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.00 57.05 2doa n GLN 42 Cb 0.00 -0.12 0.51 0.00 0.00 0.00 0.00 30.24 30.63 2doa n GLN 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2doa h ALA 43 N 0.00 1.76 0.04 1.69 0.00 -2.00 -2.01 119.26 118.73 2doa h ALA 43 Ca 0.00 -0.10 -0.26 0.00 0.00 0.00 0.00 54.91 54.55 2doa h ALA 43 Cb 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2doa h ALA 43 CO 0.00 0.18 -1.31 -0.44 0.00 0.00 0.00 179.25 177.69 2doa h ASP 44 N 0.11 0.12 0.53 0.00 3.32 -1.95 -3.10 116.42 115.45 2doa h ASP 44 Ca 0.03 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 2doa h ASP 44 Cb 0.18 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 39.70 2doa h ASP 44 CO 0.01 1.13 -0.25 0.11 -1.72 0.00 0.00 179.24 178.51 2doa h LYS 45 N 0.02 -0.68 -0.98 3.56 1.57 -1.71 -1.16 116.57 117.19 2doa h LYS 45 Ca -0.14 0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2doa h LYS 45 Cb 1.90 0.16 -0.05 0.00 0.08 0.00 0.00 32.23 34.31 2doa h LYS 45 CO 0.13 -0.38 0.65 0.22 -0.57 0.00 0.00 179.45 179.50 2doa h ASP 46 N -0.95 1.10 -0.15 0.86 1.82 -1.55 -1.84 116.42 115.72 2doa h ASP 46 Ca -0.07 -0.02 -0.05 0.00 -0.39 0.00 0.00 57.03 56.49 2doa h ASP 46 Cb 0.62 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 40.35 2doa h ASP 46 CO 0.12 0.78 -0.06 0.00 -1.61 0.00 0.00 179.24 178.47 2doa h ALA 47 N 1.41 1.38 -0.19 -0.78 0.00 -1.51 -2.33 119.26 117.24 2doa h ALA 47 Ca 0.37 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.12 2doa h ALA 47 Cb -0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2doa h ALA 47 CO -0.10 0.43 0.14 1.25 0.00 0.00 0.00 179.25 180.97 2doa h LEU 48 N 0.43 0.00 0.24 0.00 5.85 -0.32 0.24 115.31 121.76 2doa h LEU 48 Ca 0.09 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2doa h LEU 48 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2doa h LEU 48 CO 0.02 0.00 -0.12 -0.78 -0.34 0.00 0.00 178.44 177.22 2doa h ASP 49 N 0.00 -0.28 0.55 1.25 1.82 -1.41 -0.48 116.42 117.88 2doa h ASP 49 Ca 0.09 -0.25 -0.08 0.00 -0.39 0.00 0.00 57.03 56.40 2doa h ASP 49 Cb 0.36 0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.43 2doa h ASP 49 CO -0.00 0.19 -0.36 1.23 -1.61 0.00 0.00 179.24 178.69 2doa h GLY 50 N -0.85 0.00 0.49 -0.78 0.00 -1.49 -2.83 103.07 97.62 2doa h GLY 50 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 2doa h GLY 50 CO 0.06 0.00 -0.34 -2.00 0.00 0.00 0.00 176.54 174.25 2doa h LEU 51 N 0.00 0.28 -0.37 3.11 5.85 -0.58 -3.19 115.31 120.41 2doa h LEU 51 Ca -0.00 -0.81 0.05 0.00 0.84 0.00 0.00 57.88 57.96 2doa h LEU 51 Cb 0.73 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 2doa h LEU 51 CO 0.05 1.05 0.09 -0.07 -0.34 0.00 0.00 178.44 179.22 2doa h LEU 52 N -0.46 0.05 -2.50 2.25 3.38 -1.06 0.64 115.31 117.61 2doa h LEU 52 Ca -0.05 0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2doa h LEU 52 Cb 1.12 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 2doa h LEU 52 CO 0.07 0.06 0.05 1.56 0.09 0.00 0.00 178.44 180.28 2doa h GLN 53 N 0.22 0.00 0.00 1.13 1.08 -1.61 0.87 115.11 116.80 2doa h GLN 53 Ca 0.17 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.21 2doa h GLN 53 Cb 0.19 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 2doa h GLN 53 CO -0.21 0.00 -1.15 1.04 -0.95 0.00 0.00 178.83 177.56 2doa n GLN 54 N -3.66 0.53 -1.11 1.46 1.13 -0.10 -4.39 117.38 111.24 2doa n GLN 54 Ca -0.02 0.50 -0.23 0.00 -1.94 0.00 0.00 57.00 55.31 2doa n GLN 54 Cb 0.14 -1.68 0.13 0.00 0.11 0.00 0.00 30.24 28.95 2doa n GLN 54 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2doa n VAL 55 N -4.47 3.06 -3.64 5.09 0.24 0.21 -4.88 118.33 113.92 2doa n VAL 55 Ca -0.25 -1.91 -0.06 0.00 -2.04 0.00 0.00 64.34 60.07 2doa n VAL 55 Cb 0.56 -0.71 -0.07 0.00 -1.47 0.00 0.00 33.84 32.15 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 -3.00 -2.10 -0.44 2.33 0.00 0.30 -4.45 121.76 114.41 2doa s ALA 56 Ca 0.51 1.77 -0.15 0.00 0.00 0.00 0.00 51.96 54.09 2doa s ALA 56 Cb 0.43 -1.58 0.04 0.00 0.00 0.00 0.00 23.12 22.01 2doa s ALA 56 CO 0.07 -0.17 0.36 -0.80 0.00 0.00 0.00 175.76 175.21 2doa s ASN 57 N 0.01 6.13 0.30 0.00 0.01 0.11 -3.91 114.94 117.59 2doa s ASN 57 Ca 0.05 -1.04 -0.27 0.00 -0.71 0.00 0.00 52.86 50.88 2doa s ASN 57 Cb -0.05 -2.18 -0.10 0.00 0.41 0.00 0.00 41.25 39.34 2doa s ASN 57 CO -0.11 -0.55 0.96 -0.32 -1.51 0.00 0.00 177.10 175.58 2doa s MET 58 N 1.73 4.66 0.60 -0.60 1.75 -1.26 -3.15 119.30 123.02 2doa s MET 58 Ca 0.05 1.42 0.03 0.00 -1.25 0.00 0.00 55.69 55.95 2doa s MET 58 Cb -0.21 -2.97 0.08 0.00 2.84 0.00 0.00 34.83 34.57 2doa s MET 58 CO 0.09 0.33 0.83 0.45 -0.65 0.00 0.00 175.02 176.07 2doa s SER 59 N -1.42 4.95 -0.40 1.11 0.15 -1.25 -5.02 113.70 111.82 2doa s SER 59 Ca 0.47 -0.36 0.06 0.00 0.70 0.00 0.00 55.95 56.82 2doa s SER 59 Cb -0.22 -0.30 0.43 0.00 -1.71 0.00 0.00 66.02 64.22 2doa s SER 59 CO 0.28 -1.40 1.12 0.00 1.20 0.00 0.00 173.24 174.44 2doa n ALA 60 N -2.44 4.95 0.00 5.45 0.00 -1.26 -4.34 120.51 122.87 2doa n ALA 60 Ca 0.12 -4.14 0.00 0.00 0.00 0.00 0.00 53.44 49.42 2doa n ALA 60 Cb 0.60 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.53 2doa n ALA 60 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2doa n LYS 61 N -0.51 0.00 -0.13 0.00 -0.00 -1.26 -4.99 118.16 111.27 2doa n LYS 61 Ca 0.38 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.44 2doa n LYS 61 Cb 0.73 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 35.66 2doa n LYS 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2doa n ASP 62 N -1.84 1.95 0.00 -5.58 8.00 -1.26 -5.04 116.55 112.79 2doa n ASP 62 Ca 0.00 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.66 2doa n ASP 62 Cb 0.00 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.45 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 1.67 1.30 3.68 0.44 0.00 -1.26 -5.06 105.19 105.96 2doa n GLY 63 Ca -0.50 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.00 4.99 -0.19 2.61 2.01 -1.26 -3.85 115.64 117.94 2doa s THR 64 Ca 0.00 0.04 -0.21 0.00 0.31 0.00 0.00 61.69 61.82 2doa s THR 64 Cb 0.00 -3.25 -0.02 0.00 0.01 0.00 0.00 72.50 69.24 2doa s THR 64 CO 0.00 0.47 0.66 0.00 -0.69 0.00 0.00 174.62 175.06 2doa s THR 66 N 1.95 3.30 0.60 0.00 -4.23 -1.19 -2.04 115.64 114.02 2doa s THR 66 Ca 0.30 -0.62 -0.18 0.00 -1.18 0.00 0.00 61.69 60.01 2doa s THR 66 Cb -0.16 -2.33 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 2doa s THR 66 CO 0.11 0.58 1.13 -0.22 -0.54 0.00 0.00 174.62 175.68 2doa s LEU 67 N -0.58 3.59 0.83 4.79 2.96 -1.26 -0.72 118.68 128.29 2doa s LEU 67 Ca 0.08 2.14 -0.11 0.00 -0.22 0.00 0.00 54.13 56.02 2doa s LEU 67 Cb -0.11 -4.57 0.12 0.00 0.50 0.00 0.00 46.19 42.12 2doa s LEU 67 CO 0.01 -1.45 1.17 -1.10 -1.32 0.00 0.00 176.35 173.67 2doa s GLN 68 N -3.61 1.56 0.16 1.98 -0.21 -1.26 -4.85 119.66 113.43 2doa s GLN 68 Ca 0.71 -0.26 0.08 0.00 0.02 0.00 0.00 55.36 55.92 2doa s GLN 68 Cb -0.23 -2.00 -0.08 0.00 1.00 0.00 0.00 33.01 31.70 2doa s GLN 68 CO 0.33 -1.76 1.36 0.22 -2.12 0.00 0.00 175.29 173.32 2doa h ASP 69 N -1.09 0.00 0.53 5.90 3.58 -1.98 -3.20 116.42 120.15 2doa h ASP 69 Ca -0.44 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 56.71 2doa h ASP 69 Cb 1.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.34 2doa h ASP 69 CO 0.53 0.89 -1.39 0.00 -2.88 0.00 0.00 179.24 176.39 2doa h MET 71 N 0.08 0.00 -0.30 0.00 2.86 -1.96 -2.16 114.93 113.45 2doa h MET 71 Ca -0.19 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.53 2doa h MET 71 Cb 2.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.65 2doa h MET 71 CO 0.19 0.12 0.22 1.88 1.06 0.00 0.00 176.91 180.37 2doa h TYR 72 N 0.00 0.00 -0.46 -0.22 0.05 -1.61 -0.59 116.97 114.14 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 0.25 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.97 2doa h TYR 72 CO 0.00 0.00 0.03 0.87 -1.05 0.00 0.00 178.16 178.01 2doa h LYS 73 N 0.00 0.74 0.00 4.88 1.79 -1.58 -2.38 116.57 120.02 2doa h LYS 73 Ca 0.14 -0.18 -0.05 0.00 -2.18 0.00 0.00 60.65 58.38 2doa h LYS 73 Cb 0.57 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 2doa h LYS 73 CO -0.00 0.73 -0.24 -0.44 -1.08 0.00 0.00 179.45 178.42 2doa h ASP 74 N 0.70 0.00 -3.74 0.86 3.32 -1.25 -3.44 116.42 112.88 2doa h ASP 74 Ca 0.14 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.65 2doa h ASP 74 Cb 0.39 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.05 2doa h ASP 74 CO 0.01 0.24 0.77 0.52 -1.72 0.00 0.00 179.24 179.06 2doa n VAL 75 N -4.15 1.82 -2.62 -1.35 0.31 -0.90 -5.01 118.33 106.44 2doa n VAL 75 Ca -0.02 -0.46 -0.22 0.00 -0.01 0.00 0.00 64.34 63.64 2doa n VAL 75 Cb 0.30 -1.93 0.05 0.00 -0.91 0.00 0.00 33.84 31.35 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 -1.79 2.35 -0.28 5.55 -0.21 -1.26 -5.03 119.66 118.99 2doa s GLN 76 Ca 0.55 -0.84 0.09 0.00 0.02 0.00 0.00 55.36 55.18 2doa s GLN 76 Cb -0.49 -2.45 0.48 0.00 1.00 0.00 0.00 33.01 31.56 2doa s GLN 76 CO 0.61 -0.88 1.40 1.63 -2.12 0.00 0.00 175.29 175.93 2doa n LYS 77 N -2.46 1.89 -1.23 2.91 5.02 -1.26 -4.54 118.16 118.50 2doa n LYS 77 Ca 0.09 -3.29 -0.03 0.00 -2.02 0.00 0.00 58.31 53.06 2doa n LYS 77 Cb 0.60 -1.81 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 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 -0.34 -4.71 4.39 2.03 -1.26 -5.12 116.55 110.44 2doa n ASP 78 Ca 0.31 -2.01 -0.42 0.00 0.52 0.00 0.00 54.79 53.20 2doa n ASP 78 Cb 0.94 0.11 -0.03 0.00 -0.72 0.00 0.00 41.12 41.42 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 -0.05 2.79 0.31 -0.67 -0.11 -1.26 -4.89 118.94 115.07 2doa s TRP 79 Ca 0.11 0.31 0.23 0.00 1.22 0.00 0.00 56.10 57.98 2doa s TRP 79 Cb 0.14 -4.13 1.12 0.00 -1.50 0.00 0.00 33.47 29.11 2doa s TRP 79 CO -0.06 -4.32 1.94 -1.00 -4.62 0.00 0.00 176.95 168.88 2doa h PRO 80 N 7.11 0.00 -0.69 5.86 0.13 -1.99 -2.99 132.00 139.42 2doa h PRO 80 Ca -0.43 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.78 2doa h PRO 80 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2doa h PRO 80 CO 0.95 0.21 0.46 0.78 -0.23 0.00 0.00 178.00 180.17 2doa h GLY 81 N 1.32 0.84 -0.09 1.56 0.00 -1.93 -3.43 103.07 101.34 2doa h GLY 81 Ca -0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 2doa h GLY 81 CO 0.03 0.16 0.04 -1.72 0.00 0.00 0.00 176.54 175.05 2doa n TYR 82 N -4.49 -3.80 0.00 5.60 4.01 -1.13 -5.06 117.16 112.30 2doa n TYR 82 Ca 0.11 -0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2doa n TYR 82 Cb 0.31 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 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 -3.12 0.00 0.00 7.72 7.64 -1.26 -4.99 113.62 119.62 2doa n SER 83 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2doa n SER 83 Cb 0.06 0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 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 -2.36 0.00 -0.01 1.43 4.07 -1.26 -4.81 120.64 117.69 2doa n GLU 84 Ca 0.00 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 56.94 2doa n GLU 84 Cb 0.00 -0.09 -0.11 0.00 -0.06 0.00 0.00 31.44 31.19 2doa n GLU 84 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 2doa h GLY 85 N 0.00 0.37 1.30 8.31 0.00 -2.00 -3.07 103.07 107.98 2doa h GLY 85 Ca 0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 47.33 46.60 2doa h GLY 85 CO 0.00 0.55 -0.16 -0.55 0.00 0.00 0.00 176.54 176.38 2doa h ASP 86 N -0.22 0.82 -1.00 0.19 5.19 -1.96 -2.58 116.42 116.86 2doa h ASP 86 Ca -0.05 -0.27 0.02 0.00 -0.62 0.00 0.00 57.03 56.11 2doa h ASP 86 Cb 1.16 -0.22 -0.05 0.00 0.18 0.00 0.00 39.33 40.40 2doa h ASP 86 CO 0.09 0.98 0.66 1.56 -3.12 0.00 0.00 179.24 179.41 2doa h GLN 87 N 0.73 1.27 -0.26 3.56 4.20 -1.88 -1.70 115.11 121.03 2doa h GLN 87 Ca 0.11 -0.08 -0.14 0.00 0.06 0.00 0.00 58.65 58.60 2doa h GLN 87 Cb 0.66 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2doa h GLN 87 CO 0.05 0.84 -0.42 1.96 -0.67 0.00 0.00 178.83 180.59 2doa h GLN 88 N 1.31 0.65 0.00 1.46 4.20 -1.41 -2.80 115.11 118.52 2doa h GLN 88 Ca 0.38 -0.34 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 2doa h GLN 88 Cb -0.08 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 2doa h GLN 88 CO -0.10 0.95 -0.15 1.25 -0.67 0.00 0.00 178.83 180.10 2doa h LEU 89 N 0.53 0.00 -0.09 1.46 5.85 -0.99 -2.64 115.31 119.42 2doa h LEU 89 Ca 0.04 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.54 2doa h LEU 89 Cb 0.95 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 2doa h LEU 89 CO 0.09 0.15 -1.01 0.25 -0.34 0.00 0.00 178.44 177.58 2doa h LEU 90 N 0.00 0.23 0.01 2.25 5.85 -1.07 -3.23 115.31 119.34 2doa h LEU 90 Ca -0.00 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 2doa h LEU 90 Cb 0.49 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2doa h LEU 90 CO 0.02 1.10 -0.01 0.11 -0.34 0.00 0.00 178.44 179.32 2doa h LYS 91 N 0.07 -0.01 -0.34 1.25 1.79 -1.31 -0.65 116.57 117.37 2doa h LYS 91 Ca -0.06 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.47 2doa h LYS 91 Cb 1.71 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.34 2doa h LYS 91 CO 0.15 0.12 0.23 0.07 -1.08 0.00 0.00 179.45 178.95 2doa h ARG 92 N -0.15 0.17 -0.01 3.15 0.11 -1.64 -1.56 114.38 114.45 2doa h ARG 92 Ca -0.00 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 60.04 2doa h ARG 92 Cb 0.15 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.19 2doa h ARG 92 CO 0.00 0.11 -0.10 0.28 0.10 0.00 0.00 179.97 180.37 2doa h VAL 93 N 0.18 1.57 -0.16 0.08 2.07 -1.49 -0.30 116.25 118.20 2doa h VAL 93 Ca 0.15 -1.81 0.05 0.00 0.82 0.00 0.00 66.70 65.91 2doa h VAL 93 Cb 0.37 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 2doa h VAL 93 CO -0.02 0.48 0.12 -0.07 0.02 0.00 0.00 177.57 178.09 2doa h LEU 94 N -0.62 0.00 0.12 2.57 3.38 -0.66 0.57 115.31 120.67 2doa h LEU 94 Ca -0.01 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.69 2doa h LEU 94 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2doa h LEU 94 CO 0.02 0.00 -1.35 0.58 0.09 0.00 0.00 178.44 177.78 2doa h VAL 95 N 0.00 1.09 -0.18 1.22 2.07 -1.32 -2.91 116.25 116.21 2doa h VAL 95 Ca 0.08 -2.43 -0.11 0.00 0.82 0.00 0.00 66.70 65.06 2doa h VAL 95 Cb 0.31 2.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 2doa h VAL 95 CO -0.00 0.71 -0.37 0.03 0.02 0.00 0.00 177.57 177.96 2doa h ARG 96 N -0.30 0.39 0.00 1.57 3.08 -0.61 -3.35 114.38 115.17 2doa h ARG 96 Ca -0.28 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2doa h ARG 96 Cb 1.76 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.80 2doa h ARG 96 CO 0.08 0.71 0.00 1.63 -1.07 0.00 0.00 179.97 181.32 2doa n LYS 97 N -4.05 0.00 -1.57 0.04 4.76 0.20 -4.63 118.16 112.91 2doa n LYS 97 Ca -0.01 0.47 -0.37 0.00 -2.87 0.00 0.00 58.31 55.53 2doa n LYS 97 Cb 0.47 -1.11 -0.03 0.00 -1.84 0.00 0.00 35.03 32.52 2doa n LYS 97 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2doa s LEU 98 N -3.84 3.41 -0.25 -0.35 1.43 -1.10 -4.75 118.68 113.23 2doa s LEU 98 Ca 0.00 1.18 -0.03 0.00 -1.03 0.00 0.00 54.13 54.25 2doa s LEU 98 Cb 0.00 -2.63 -0.17 0.00 0.03 0.00 0.00 46.19 43.42 2doa s LEU 98 CO 0.00 -2.77 -0.18 -1.20 0.23 0.00 0.00 176.35 172.44 2doa n SER 99 N 15.38 1.99 0.00 2.29 7.64 -1.26 -4.78 113.62 134.88 2doa n SER 99 Ca 0.36 0.01 0.00 0.00 1.01 0.00 0.00 58.87 60.25 2doa n SER 99 Cb 0.54 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 2doa n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2doa n GLY 100 N 2.01 2.23 3.72 0.23 0.00 -1.26 -5.16 105.19 106.96 2doa n GLY 100 Ca -0.46 0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.39 1.55 -0.11 1.61 0.04 -1.26 -5.07 135.00 131.37 2doa s PRO 101 Ca 0.00 1.03 -0.09 0.00 0.04 0.00 0.00 61.00 61.99 2doa s PRO 101 Cb 0.00 -1.83 0.03 0.00 0.04 0.00 0.00 34.50 32.75 2doa s PRO 101 CO 0.00 -2.10 0.28 0.45 0.04 0.00 0.00 177.00 175.67 2doa s SER 102 N -3.30 -0.30 -0.25 6.66 0.15 -1.26 -5.16 113.70 110.24 2doa s SER 102 Ca 0.63 0.57 -0.19 0.00 0.70 0.00 0.00 55.95 57.66 2doa s SER 102 Cb -0.18 0.54 0.07 0.00 -1.71 0.00 0.00 66.02 64.74 2doa s SER 102 CO 0.57 -0.12 0.65 -0.55 1.20 0.00 0.00 173.24 174.99 2doa s SER 103 N 0.47 -0.77 0.00 5.45 0.15 -1.26 -5.33 113.70 112.41 2doa s SER 103 Ca -0.03 1.36 0.28 0.00 0.70 0.00 0.00 55.95 58.27 2doa s SER 103 Cb -0.04 1.32 1.67 0.00 -1.71 0.00 0.00 66.02 67.26 2doa s SER 103 CO -0.02 -0.23 2.02 0.61 1.20 0.00 0.00 173.24 176.81