#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 0.38 -3.61 1.61 7.64 -1.26 -5.06 113.62 113.32 2doa n SER 2 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 2doa n SER 2 Cb 0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.03 2doa n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2doa s SER 3 N -4.56 1.96 1.60 6.43 0.01 -1.26 -5.06 113.70 112.82 2doa s SER 3 Ca 0.00 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.85 2doa s SER 3 Cb 0.00 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.11 2doa s SER 3 CO 0.00 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 173.93 2doa n GLY 4 N 5.29 1.21 3.63 3.44 0.00 -1.26 -4.69 105.19 112.81 2doa n GLY 4 Ca -0.06 0.33 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 2doa n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2doa n SER 5 N 10.82 1.26 -4.57 1.61 7.64 -1.26 -4.95 113.62 124.17 2doa n SER 5 Ca 0.00 -2.06 -0.34 0.00 1.01 0.00 0.00 58.87 57.48 2doa n SER 5 Cb 0.00 -0.61 -0.11 0.00 -1.01 0.00 0.00 64.21 62.48 2doa n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2doa s SER 6 N -4.80 4.76 0.01 6.43 0.01 -1.26 -4.52 113.70 114.33 2doa s SER 6 Ca 0.62 -0.03 -0.01 0.00 1.31 0.00 0.00 55.95 57.84 2doa s SER 6 Cb -0.03 -1.39 -0.01 0.00 0.21 0.00 0.00 66.02 64.79 2doa s SER 6 CO 0.41 0.31 -0.01 -0.83 0.41 0.00 0.00 173.24 173.54 2doa s GLY 7 N -0.50 0.19 -0.03 3.44 0.00 -1.26 -4.99 107.32 104.17 2doa s GLY 7 Ca 0.08 -0.46 0.11 0.00 0.00 0.00 0.00 44.72 44.46 2doa s GLY 7 CO 0.02 -0.52 0.73 -2.08 0.00 0.00 0.00 173.10 171.25 2doa h VAL 8 N 4.68 0.94 -0.85 1.40 2.07 -1.95 -3.36 116.25 119.18 2doa h VAL 8 Ca -0.31 -2.78 0.02 0.00 0.82 0.00 0.00 66.70 64.45 2doa h VAL 8 Cb 1.21 2.47 -0.04 0.00 -1.52 0.00 0.00 31.29 33.40 2doa h VAL 8 CO 0.42 0.55 0.56 0.28 0.02 0.00 0.00 177.57 179.40 2doa h SER 9 N 0.00 0.94 -0.16 0.57 0.02 -1.95 -1.34 113.55 111.64 2doa h SER 9 Ca -0.26 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.68 2doa h SER 9 Cb 1.99 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 64.29 2doa h SER 9 CO 0.09 0.67 0.11 -0.61 -1.14 0.00 0.00 176.83 175.94 2doa h GLN 10 N 1.11 0.18 -7.19 3.45 4.15 -2.01 -3.43 115.11 111.38 2doa h GLN 10 Ca 0.32 -0.01 -0.49 0.00 0.77 0.00 0.00 58.65 59.24 2doa h GLN 10 Cb -0.06 -0.04 0.07 0.00 0.21 0.00 0.00 27.48 27.65 2doa h GLN 10 CO -0.08 0.12 0.38 1.03 -1.93 0.00 0.00 178.83 178.35 2doa s ARG 11 N -5.21 3.29 0.76 1.69 1.81 -0.51 -5.04 118.95 115.74 2doa s ARG 11 Ca -0.06 1.25 -0.13 0.00 -1.72 0.00 0.00 55.73 55.07 2doa s ARG 11 Cb 0.17 -2.03 0.20 0.00 -0.45 0.00 0.00 34.95 32.85 2doa s ARG 11 CO 0.69 -0.84 0.45 -0.35 -0.68 0.00 0.00 175.30 174.57 2doa n PRO 12 N -1.99 -3.49 0.01 3.54 -0.04 -1.26 -4.90 135.00 126.87 2doa n PRO 12 Ca 0.09 -0.75 -0.21 0.00 -0.04 0.00 0.00 63.50 62.59 2doa n PRO 12 Cb 0.53 -0.99 -0.14 0.00 -0.04 0.00 0.00 33.50 32.86 2doa n PRO 12 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2doa n PHE 13 N -4.47 1.28 0.02 0.54 7.35 -1.26 -3.42 117.46 117.50 2doa n PHE 13 Ca 0.07 0.27 0.05 0.00 -0.76 0.00 0.00 57.45 57.08 2doa n PHE 13 Cb 0.31 -1.17 0.46 0.00 0.35 0.00 0.00 39.48 39.43 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 0.07 0.47 0.04 -4.13 2.43 -2.00 -1.79 114.38 109.47 2doa h ARG 14 Ca -0.42 -0.03 -0.22 0.00 -0.81 0.00 0.00 59.98 58.50 2doa h ARG 14 Cb 2.04 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 31.48 2doa h ARG 14 CO 0.09 0.31 -1.00 -0.44 -1.51 0.00 0.00 179.97 177.42 2doa h ASP 15 N 0.48 0.32 -0.52 -3.80 3.32 -1.95 0.00 116.42 114.28 2doa h ASP 15 Ca 0.15 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 2doa h ASP 15 Cb -0.00 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 2doa h ASP 15 CO -0.03 1.14 0.29 0.03 -1.72 0.00 0.00 179.24 178.94 2doa h ARG 16 N 0.11 0.75 0.01 3.56 3.08 -1.35 -1.72 114.38 118.81 2doa h ARG 16 Ca -0.07 -0.08 -0.32 0.00 0.07 0.00 0.00 59.98 59.58 2doa h ARG 16 Cb 1.67 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 31.51 2doa h ARG 16 CO 0.16 0.56 -1.94 0.28 -1.07 0.00 0.00 179.97 177.96 2doa n VAL 17 N -4.39 1.55 0.22 2.04 0.31 -1.01 -3.45 118.33 113.60 2doa n VAL 17 Ca 0.05 -0.80 0.05 0.00 -0.01 0.00 0.00 64.34 63.63 2doa n VAL 17 Cb 0.11 -0.92 0.50 0.00 -0.91 0.00 0.00 33.84 32.62 2doa n VAL 17 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2doa h LEU 18 N 0.00 0.02 0.12 7.52 5.85 -0.78 -2.18 115.31 125.87 2doa h LEU 18 Ca -0.38 -0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.02 2doa h LEU 18 Cb 2.08 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.10 2doa h LEU 18 CO 0.06 0.18 -1.61 0.45 -0.34 0.00 0.00 178.44 177.18 2doa h HIS 19 N 0.02 0.48 0.25 1.25 3.86 -1.47 -2.98 115.15 116.56 2doa h HIS 19 Ca 0.00 -0.35 -0.01 0.00 -1.16 0.00 0.00 60.37 58.85 2doa h HIS 19 Cb 0.31 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.76 2doa h HIS 19 CO 0.00 1.44 -0.13 -0.07 0.86 0.00 0.00 177.93 180.03 2doa h LEU 20 N 0.07 -0.32 -1.22 2.43 3.38 -1.51 -2.53 115.31 115.61 2doa h LEU 20 Ca -0.28 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 2doa h LEU 20 Cb 2.03 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.86 2doa h LEU 20 CO 0.16 -0.22 -0.28 -0.07 0.09 0.00 0.00 178.44 178.11 2doa h LEU 21 N -0.36 0.00 -1.09 1.67 3.38 -1.56 -3.04 115.31 114.30 2doa h LEU 21 Ca -0.03 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.04 2doa h LEU 21 Cb 0.28 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 2doa h LEU 21 CO 0.05 0.28 0.61 0.00 0.09 0.00 0.00 178.44 179.47 2doa h ALA 22 N 1.72 1.56 -0.57 1.53 0.00 -1.29 -3.21 119.26 119.01 2doa h ALA 22 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2doa h ALA 22 Cb 0.72 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2doa h ALA 22 CO 0.04 0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.80 2doa n LEU 23 N -4.56 0.26 -4.01 0.00 4.77 -1.15 -4.96 117.00 107.34 2doa n LEU 23 Ca 0.17 0.68 -0.08 0.00 -0.03 0.00 0.00 56.01 56.75 2doa n LEU 23 Cb 0.32 -0.41 -0.09 0.00 -2.33 0.00 0.00 43.42 40.91 2doa n LEU 23 CO 0.30 -0.41 -0.27 0.00 -1.33 0.00 0.00 177.39 175.68 2doa s ARG 24 N -1.81 0.69 -0.11 3.23 1.70 -1.21 -4.93 118.95 116.51 2doa s ARG 24 Ca 0.00 -1.14 -0.37 0.00 -0.47 0.00 0.00 55.73 53.76 2doa s ARG 24 Cb 0.00 0.25 -0.14 0.00 -0.57 0.00 0.00 34.95 34.50 2doa s ARG 24 CO 0.00 -0.16 1.74 -2.30 -1.08 0.00 0.00 175.30 173.50 2doa n PRO 25 N 0.05 1.70 -4.99 3.89 -0.02 -1.26 -4.42 135.00 129.94 2doa n PRO 25 Ca -0.14 0.62 -0.32 0.00 -2.02 0.00 0.00 63.50 61.64 2doa n PRO 25 Cb 0.61 -2.38 -0.15 0.00 -0.02 0.00 0.00 33.50 31.56 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 3.16 2.67 0.87 6.00 2.02 -0.25 -4.85 117.35 126.98 2doa s TYR 26 Ca 0.92 -0.72 -0.13 0.00 -0.37 0.00 0.00 57.07 56.77 2doa s TYR 26 Cb -0.85 -1.74 0.12 0.00 -0.40 0.00 0.00 41.96 39.08 2doa s TYR 26 CO 0.55 -0.23 1.21 1.03 -1.57 0.00 0.00 175.55 176.53 2doa s ARG 27 N 0.15 1.43 0.08 -0.62 3.00 -1.26 -1.31 118.95 120.41 2doa s ARG 27 Ca -0.10 0.01 -0.20 0.00 0.00 0.00 0.00 55.73 55.44 2doa s ARG 27 Cb -0.16 -1.90 -0.09 0.00 0.00 0.00 0.00 34.95 32.80 2doa s ARG 27 CO 0.06 -1.95 1.53 0.87 0.00 0.00 0.00 175.30 175.81 2doa h LYS 28 N -1.31 0.36 -0.22 3.54 1.79 -1.96 0.13 116.57 118.91 2doa h LYS 28 Ca -0.46 -0.11 -0.12 0.00 -2.18 0.00 0.00 60.65 57.79 2doa h LYS 28 Cb 1.31 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.92 2doa h LYS 28 CO 0.58 0.53 -0.31 0.00 -1.08 0.00 0.00 179.45 179.16 2doa h ALA 29 N 0.82 0.33 -0.39 3.86 0.00 -1.94 -0.48 119.26 121.46 2doa h ALA 29 Ca 0.06 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2doa h ALA 29 Cb 0.35 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2doa h ALA 29 CO 0.01 0.37 0.13 0.93 0.00 0.00 0.00 179.25 180.69 2doa h GLU 30 N 0.29 0.60 -0.16 0.00 5.08 -1.94 -2.10 114.58 116.36 2doa h GLU 30 Ca 0.02 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.14 2doa h GLU 30 Cb 0.89 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2doa h GLU 30 CO 0.07 0.59 -0.42 1.25 -1.00 0.00 0.00 179.01 179.51 2doa h LEU 31 N 0.48 0.39 -0.07 1.33 5.85 -0.75 -2.62 115.31 119.93 2doa h LEU 31 Ca 0.13 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 2doa h LEU 31 Cb 0.23 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 2doa h LEU 31 CO -0.01 0.77 0.04 -0.07 -0.34 0.00 0.00 178.44 178.82 2doa h LEU 32 N 0.31 0.09 -1.29 2.25 3.38 -0.82 -1.54 115.31 117.69 2doa h LEU 32 Ca 0.03 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2doa h LEU 32 Cb 0.86 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2doa h LEU 32 CO 0.07 0.16 -0.03 -0.07 0.09 0.00 0.00 178.44 178.66 2doa h LEU 33 N 0.00 0.41 -0.15 1.67 3.38 -1.35 0.15 115.31 119.43 2doa h LEU 33 Ca 0.02 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2doa h LEU 33 Cb 0.10 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2doa h LEU 33 CO -0.00 0.50 0.03 -0.09 0.09 0.00 0.00 178.44 178.97 2doa h ARG 34 N 0.42 0.25 -0.20 1.13 1.12 -1.14 -2.59 114.38 113.38 2doa h ARG 34 Ca 0.09 -0.06 -0.15 0.00 -1.11 0.00 0.00 59.98 58.75 2doa h ARG 34 Cb 0.33 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.25 2doa h ARG 34 CO 0.01 0.42 -0.49 -0.07 -3.11 0.00 0.00 179.97 176.73 2doa h LEU 35 N 0.04 0.57 -2.06 3.80 3.38 -1.07 -2.93 115.31 117.04 2doa h LEU 35 Ca 0.05 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 2doa h LEU 35 Cb 0.29 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2doa h LEU 35 CO 0.00 0.97 -0.00 -0.61 0.09 0.00 0.00 178.44 178.89 2doa h GLN 36 N 0.42 0.00 -0.96 1.13 4.15 -0.87 0.15 115.11 119.13 2doa h GLN 36 Ca 0.02 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.47 2doa h GLN 36 Cb 1.01 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.65 2doa h GLN 36 CO 0.09 0.00 0.63 0.87 -1.93 0.00 0.00 178.83 178.49 2doa h LYS 37 N 0.00 1.20 0.06 1.69 1.57 -1.26 -2.97 116.57 116.86 2doa h LYS 37 Ca -0.00 -0.07 -0.33 0.00 -1.87 0.00 0.00 60.65 58.38 2doa h LYS 37 Cb 0.00 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.01 2doa h LYS 37 CO 0.00 0.80 -1.83 -0.25 -0.57 0.00 0.00 179.45 177.59 2doa n ASP 38 N -4.46 1.47 0.00 0.86 8.00 -0.73 -5.01 116.55 116.67 2doa n ASP 38 Ca 0.12 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.95 2doa n ASP 38 Cb 0.06 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 2doa n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2doa n GLY 39 N 1.76 2.42 2.82 0.44 0.00 0.47 -4.99 105.19 108.10 2doa n GLY 39 Ca -0.24 0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 0.71 0.00 0.99 2.96 -1.25 -4.61 118.68 117.48 2doa s LEU 40 Ca 0.00 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.11 2doa s LEU 40 Cb 0.00 0.12 0.03 0.00 0.50 0.00 0.00 46.19 46.83 2doa s LEU 40 CO 0.00 -0.16 0.21 0.35 -1.32 0.00 0.00 176.35 175.43 2doa n THR 41 N 4.45 0.00 -0.02 3.68 -2.24 -1.26 -4.94 114.28 113.94 2doa n THR 41 Ca -0.22 -1.73 -0.01 0.00 -2.27 0.00 0.00 64.05 59.81 2doa n THR 41 Cb 0.51 0.03 0.26 0.00 -2.10 0.00 0.00 70.33 69.03 2doa n THR 41 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2doa h GLN 42 N 0.00 0.58 -0.05 -0.78 1.08 -2.01 0.41 115.11 114.33 2doa h GLN 42 Ca -0.29 -0.13 -0.10 0.00 -1.45 0.00 0.00 58.65 56.68 2doa h GLN 42 Cb 0.98 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.32 2doa h GLN 42 CO 0.46 0.61 -0.44 0.00 -0.95 0.00 0.00 178.83 178.50 2doa h ALA 43 N 1.44 1.17 0.07 3.87 0.00 -2.00 -2.70 119.26 121.13 2doa h ALA 43 Ca 0.11 -0.42 -0.27 0.00 0.00 0.00 0.00 54.91 54.33 2doa h ALA 43 Cb 0.37 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2doa h ALA 43 CO 0.01 0.59 -1.37 -0.44 0.00 0.00 0.00 179.25 178.04 2doa h ASP 44 N 0.09 0.24 0.85 0.00 5.19 -1.82 -2.84 116.42 118.13 2doa h ASP 44 Ca 0.00 -0.31 -0.04 0.00 -0.62 0.00 0.00 57.03 56.06 2doa h ASP 44 Cb 0.82 -0.08 0.01 0.00 0.18 0.00 0.00 39.33 40.26 2doa h ASP 44 CO 0.06 1.26 -0.41 0.11 -3.12 0.00 0.00 179.24 177.14 2doa h LYS 45 N 0.04 -1.10 -0.39 3.56 1.57 -0.82 0.76 116.57 120.20 2doa h LYS 45 Ca -0.17 0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 2doa h LYS 45 Cb 1.94 0.25 -0.02 0.00 0.08 0.00 0.00 32.23 34.49 2doa h LYS 45 CO 0.15 -0.72 0.17 -0.44 -0.57 0.00 0.00 179.45 178.03 2doa h ASP 46 N -1.24 0.52 -0.10 0.86 5.19 -1.65 -2.44 116.42 117.57 2doa h ASP 46 Ca -0.12 -0.15 0.01 0.00 -0.62 0.00 0.00 57.03 56.15 2doa h ASP 46 Cb 0.88 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 40.25 2doa h ASP 46 CO 0.19 0.53 0.07 0.00 -3.12 0.00 0.00 179.24 176.91 2doa h ALA 47 N 1.02 1.96 -0.67 3.45 0.00 -1.51 -1.98 119.26 121.53 2doa h ALA 47 Ca 0.13 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2doa h ALA 47 Cb 0.16 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2doa h ALA 47 CO -0.01 0.03 0.27 1.25 0.00 0.00 0.00 179.25 180.78 2doa h LEU 48 N 0.11 0.93 -1.09 0.00 5.85 -0.33 0.35 115.31 121.12 2doa h LEU 48 Ca 0.04 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.62 2doa h LEU 48 Cb 0.03 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 2doa h LEU 48 CO -0.01 0.84 0.62 -0.78 -0.34 0.00 0.00 178.44 178.77 2doa h ASP 49 N 0.95 1.03 1.24 1.25 3.58 -1.26 0.16 116.42 123.37 2doa h ASP 49 Ca 0.22 -0.01 -0.15 0.00 0.42 0.00 0.00 57.03 57.51 2doa h ASP 49 Cb 0.20 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 2doa h ASP 49 CO -0.02 0.72 -0.77 1.23 -2.88 0.00 0.00 179.24 177.52 2doa h GLY 50 N 1.20 0.00 1.23 -0.78 0.00 -1.43 -3.21 103.07 100.08 2doa h GLY 50 Ca 0.37 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.42 2doa h GLY 50 CO -0.10 0.00 -1.10 -2.00 0.00 0.00 0.00 176.54 173.33 2doa h LEU 51 N 0.00 0.90 -0.30 3.11 5.85 -0.29 -3.13 115.31 121.46 2doa h LEU 51 Ca -0.02 -0.75 0.00 0.00 0.84 0.00 0.00 57.88 57.95 2doa h LEU 51 Cb 1.56 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 2doa h LEU 51 CO 0.09 1.55 0.19 -0.07 -0.34 0.00 0.00 178.44 179.86 2doa h LEU 52 N 0.36 0.35 -2.31 2.25 3.38 -0.80 0.53 115.31 119.09 2doa h LEU 52 Ca -0.15 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2doa h LEU 52 Cb 1.76 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.42 2doa h LEU 52 CO 0.21 0.28 -0.04 1.56 0.09 0.00 0.00 178.44 180.54 2doa h GLN 53 N 0.40 0.00 0.00 1.13 1.08 -1.64 0.89 115.11 116.97 2doa h GLN 53 Ca 0.11 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.20 2doa h GLN 53 Cb -0.02 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 2doa h GLN 53 CO -0.02 0.04 -0.79 1.96 -0.95 0.00 0.00 178.83 179.07 2doa h GLN 54 N 0.00 0.00 -0.95 1.46 4.20 -1.24 -3.38 115.11 115.20 2doa h GLN 54 Ca -0.00 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.34 2doa h GLN 54 Cb 0.13 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 27.70 2doa h GLN 54 CO 0.01 0.55 0.46 1.33 -0.67 0.00 0.00 178.83 180.51 2doa n VAL 55 N -4.54 2.76 -3.60 -0.54 0.24 0.18 -4.92 118.33 107.91 2doa n VAL 55 Ca -0.19 -1.53 -0.04 0.00 -2.04 0.00 0.00 64.34 60.54 2doa n VAL 55 Cb 0.46 -0.52 -0.02 0.00 -1.47 0.00 0.00 33.84 32.29 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 -2.70 -2.05 -0.13 2.33 0.00 0.31 -4.20 121.76 115.32 2doa s ALA 56 Ca 0.47 1.28 0.02 0.00 0.00 0.00 0.00 51.96 53.73 2doa s ALA 56 Cb 0.39 0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.59 2doa s ALA 56 CO 0.10 -0.72 -0.19 -0.80 0.00 0.00 0.00 175.76 174.15 2doa s ASN 57 N -2.41 3.42 -0.03 0.00 0.01 0.15 -3.94 114.94 112.14 2doa s ASN 57 Ca 0.10 -0.50 -0.02 0.00 -0.71 0.00 0.00 52.86 51.73 2doa s ASN 57 Cb 0.00 -1.50 -0.04 0.00 0.41 0.00 0.00 41.25 40.13 2doa s ASN 57 CO -0.05 0.12 0.10 -0.32 -1.51 0.00 0.00 177.10 175.45 2doa s MET 58 N 0.56 3.19 0.17 -0.60 -2.45 -1.26 -0.51 119.30 118.40 2doa s MET 58 Ca -0.11 -0.39 -0.05 0.00 -1.25 0.00 0.00 55.69 53.89 2doa s MET 58 Cb -0.16 -2.95 -0.06 0.00 1.25 0.00 0.00 34.83 32.91 2doa s MET 58 CO 0.04 0.68 0.41 0.45 1.05 0.00 0.00 175.02 177.65 2doa s SER 59 N -1.57 6.49 -0.42 1.11 0.15 -1.14 -5.00 113.70 113.31 2doa s SER 59 Ca 0.21 0.62 0.04 0.00 0.70 0.00 0.00 55.95 57.52 2doa s SER 59 Cb -0.12 -2.10 0.61 0.00 -1.71 0.00 0.00 66.02 62.70 2doa s SER 59 CO 0.12 0.01 1.86 0.00 1.20 0.00 0.00 173.24 176.43 2doa n ALA 60 N -0.11 5.41 0.00 5.45 0.00 -1.26 -3.70 120.51 126.31 2doa n ALA 60 Ca -0.02 -2.71 0.00 0.00 0.00 0.00 0.00 53.44 50.71 2doa n ALA 60 Cb 0.52 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.02 0.00 -0.07 0.00 5.02 -1.26 -4.97 118.16 115.87 2doa n LYS 61 Ca 0.56 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.75 2doa n LYS 61 Cb 1.56 -0.08 -0.09 0.00 -0.02 0.00 0.00 35.03 36.41 2doa n LYS 61 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2doa h ASP 62 N 0.00 0.00 -0.03 4.39 5.19 -2.00 -3.49 116.42 120.48 2doa h ASP 62 Ca 0.00 -0.65 0.00 0.00 -0.62 0.00 0.00 57.03 55.76 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 0.87 0.00 0.61 -3.12 0.00 0.00 179.24 177.60 2doa n GLY 63 N 1.65 1.59 3.23 2.75 0.00 -1.24 -5.05 105.19 108.12 2doa n GLY 63 Ca -0.08 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.03 1.49 -0.15 2.61 2.01 -1.26 -4.34 115.64 113.96 2doa s THR 64 Ca 0.00 -1.33 -0.07 0.00 0.31 0.00 0.00 61.69 60.60 2doa s THR 64 Cb 0.00 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 2doa s THR 64 CO 0.00 -0.02 0.09 0.00 -0.69 0.00 0.00 174.62 174.00 2doa s THR 66 N -0.20 2.03 0.46 0.00 -4.23 0.33 -1.09 115.64 112.94 2doa s THR 66 Ca 0.09 -1.04 -0.24 0.00 -1.18 0.00 0.00 61.69 59.32 2doa s THR 66 Cb -0.12 -1.73 -0.07 0.00 1.34 0.00 0.00 72.50 71.92 2doa s THR 66 CO 0.01 0.56 1.30 -0.22 -0.54 0.00 0.00 174.62 175.73 2doa s LEU 67 N -0.02 4.06 0.00 4.79 2.96 -1.26 0.32 118.68 129.53 2doa s LEU 67 Ca -0.08 2.62 -0.17 0.00 -0.22 0.00 0.00 54.13 56.29 2doa s LEU 67 Cb -0.15 -4.08 0.26 0.00 0.50 0.00 0.00 46.19 42.72 2doa s LEU 67 CO 0.05 -1.08 0.82 0.00 -1.32 0.00 0.00 176.35 174.82 2doa n GLN 68 N -0.35 -3.09 -0.00 1.98 6.02 -1.26 -4.85 117.38 115.83 2doa n GLN 68 Ca 0.06 -1.33 -0.19 0.00 -0.01 0.00 0.00 57.00 55.53 2doa n GLN 68 Cb 0.45 -1.35 -0.14 0.00 1.02 0.00 0.00 30.24 30.22 2doa n GLN 68 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2doa n ASP 69 N -4.67 1.94 0.09 1.08 9.92 -1.26 -4.07 116.55 119.57 2doa n ASP 69 Ca 0.12 0.23 -0.07 0.00 -0.53 0.00 0.00 54.79 54.54 2doa n ASP 69 Cb 0.47 -0.74 -0.03 0.00 -0.64 0.00 0.00 41.12 40.19 2doa n ASP 69 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2doa h MET 71 N 0.04 0.00 -0.19 0.00 2.86 -1.96 -1.30 114.93 114.38 2doa h MET 71 Ca -0.03 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 2doa h MET 71 Cb 1.57 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.22 2doa h MET 71 CO 0.13 0.00 0.14 1.88 1.06 0.00 0.00 176.91 180.12 2doa h TYR 72 N 0.00 0.00 -0.09 -0.22 0.05 -1.69 -0.37 116.97 114.65 2doa h TYR 72 Ca -0.00 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.80 2doa h TYR 72 Cb 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 2doa h TYR 72 CO 0.00 0.00 0.11 0.87 -1.05 0.00 0.00 178.16 178.09 2doa h LYS 73 N 0.00 0.00 -1.05 4.88 1.57 -1.42 -0.63 116.57 119.92 2doa h LYS 73 Ca 0.09 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.39 2doa h LYS 73 Cb 0.37 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 32.42 2doa h LYS 73 CO -0.00 0.00 0.61 -0.25 -0.57 0.00 0.00 179.45 179.24 2doa n ASP 74 N -3.73 4.73 -4.38 0.86 9.92 -0.15 -4.91 116.55 118.89 2doa n ASP 74 Ca -0.01 -3.42 -0.32 0.00 -0.53 0.00 0.00 54.79 50.51 2doa n ASP 74 Cb 0.21 -0.85 -0.14 0.00 -0.64 0.00 0.00 41.12 39.69 2doa n ASP 74 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2doa s VAL 75 N -3.16 2.77 0.39 2.53 1.01 -0.25 -4.99 120.40 118.71 2doa s VAL 75 Ca 0.50 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.75 2doa s VAL 75 Cb 0.41 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 2doa s VAL 75 CO 0.06 0.56 0.42 -1.10 0.00 0.00 0.00 175.10 175.05 2doa s GLN 76 N -0.21 2.71 -0.02 2.72 -0.21 -1.26 -5.04 119.66 118.35 2doa s GLN 76 Ca -0.00 -1.36 0.17 0.00 0.02 0.00 0.00 55.36 54.19 2doa s GLN 76 Cb -0.13 -2.54 -0.25 0.00 1.00 0.00 0.00 33.01 31.09 2doa s GLN 76 CO 0.03 -0.14 0.47 1.63 -2.12 0.00 0.00 175.29 175.16 2doa n LYS 77 N -1.61 0.78 -1.08 2.91 5.02 -1.26 -4.43 118.16 118.48 2doa n LYS 77 Ca 0.03 -0.12 -0.24 0.00 -2.02 0.00 0.00 58.31 55.97 2doa n LYS 77 Cb 0.60 -1.38 0.09 0.00 -0.02 0.00 0.00 35.03 34.33 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 -1.91 5.89 -4.66 4.39 -0.08 -1.26 -4.95 116.55 113.96 2doa n ASP 78 Ca -0.01 -3.41 -0.43 0.00 -1.51 0.00 0.00 54.79 49.43 2doa n ASP 78 Cb 0.40 -0.92 -0.02 0.00 2.34 0.00 0.00 41.12 42.91 2doa n ASP 78 CO 0.00 0.00 0.00 0.86 0.12 0.00 0.00 177.20 178.18 2doa s TRP 79 N -2.85 3.16 0.57 -0.67 -0.11 -1.26 -4.81 118.94 112.97 2doa s TRP 79 Ca 0.49 1.29 0.30 0.00 1.22 0.00 0.00 56.10 59.40 2doa s TRP 79 Cb 0.39 -3.36 1.44 0.00 -1.50 0.00 0.00 33.47 30.44 2doa s TRP 79 CO 0.03 -0.97 1.83 -1.35 -4.62 0.00 0.00 176.95 171.87 2doa h PRO 80 N 7.69 0.00 -0.25 5.86 0.11 -1.92 -1.22 132.00 142.28 2doa h PRO 80 Ca -0.24 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.88 2doa h PRO 80 Cb 1.09 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2doa h PRO 80 CO 0.96 0.00 0.13 0.78 -0.21 0.00 0.00 178.00 179.66 2doa h GLY 81 N 0.00 0.33 -0.81 -0.55 0.00 -1.95 -3.44 103.07 96.66 2doa h GLY 81 Ca 0.33 -0.10 -0.44 0.00 0.00 0.00 0.00 47.33 47.12 2doa h GLY 81 CO -0.00 0.09 0.29 -0.19 0.00 0.00 0.00 176.54 176.72 2doa s TYR 82 N -6.17 1.74 0.19 5.60 2.02 -0.46 -5.02 117.35 115.24 2doa s TYR 82 Ca -0.13 0.61 0.00 0.00 -0.37 0.00 0.00 57.07 57.18 2doa s TYR 82 Cb 0.09 -3.61 0.00 0.00 -0.40 0.00 0.00 41.96 38.05 2doa s TYR 82 CO 0.70 -2.83 0.00 0.45 -1.57 0.00 0.00 175.55 172.29 2doa n SER 83 N -4.02 -1.04 0.06 2.29 2.88 -1.26 -4.94 113.62 107.58 2doa n SER 83 Ca 0.11 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 2doa n SER 83 Cb 0.59 1.14 0.00 0.00 -0.75 0.00 0.00 64.21 65.20 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 -3.00 0.00 0.18 -1.46 2.13 -1.26 -4.78 120.64 112.46 2doa n GLU 84 Ca 0.00 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.89 2doa n GLU 84 Cb 0.00 0.00 0.57 0.00 0.27 0.00 0.00 31.44 32.28 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 0.17 1.40 8.31 0.00 -2.00 -1.77 103.07 109.19 2doa h GLY 85 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 47.33 46.96 2doa h GLY 85 CO 0.00 0.06 -1.32 -0.55 0.00 0.00 0.00 176.54 174.73 2doa h ASP 86 N 0.16 0.70 0.24 0.19 3.32 -1.96 -2.98 116.42 116.09 2doa h ASP 86 Ca 0.04 -0.71 -0.01 0.00 0.02 0.00 0.00 57.03 56.37 2doa h ASP 86 Cb -0.00 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.32 2doa h ASP 86 CO -0.01 1.54 -0.12 1.56 -1.72 0.00 0.00 179.24 180.50 2doa h GLN 87 N 0.16 -0.31 -0.46 3.56 4.20 -1.73 -1.44 115.11 119.08 2doa h GLN 87 Ca -0.19 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.54 2doa h GLN 87 Cb 2.02 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 29.85 2doa h GLN 87 CO 0.24 -0.15 0.30 1.96 -0.67 0.00 0.00 178.83 180.51 2doa h GLN 88 N -0.41 0.61 -0.30 1.46 1.08 -1.47 -1.63 115.11 114.46 2doa h GLN 88 Ca -0.03 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.03 2doa h GLN 88 Cb 0.31 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 2doa h GLN 88 CO 0.05 0.41 -0.21 1.25 -0.95 0.00 0.00 178.83 179.38 2doa h LEU 89 N 0.63 0.56 -0.87 1.46 5.85 -1.32 -2.71 115.31 118.91 2doa h LEU 89 Ca 0.17 -0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 2doa h LEU 89 Cb -0.06 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 2doa h LEU 89 CO -0.03 0.77 -0.52 0.25 -0.34 0.00 0.00 178.44 178.57 2doa h LEU 90 N 0.50 0.00 0.77 2.25 5.85 -0.33 -3.12 115.31 121.23 2doa h LEU 90 Ca 0.08 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2doa h LEU 90 Cb 0.65 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 2doa h LEU 90 CO 0.05 0.52 -0.47 0.11 -0.34 0.00 0.00 178.44 178.30 2doa h LYS 91 N 0.00 -1.12 -0.20 1.25 1.79 -1.08 0.15 116.57 117.37 2doa h LYS 91 Ca -0.01 0.08 0.06 0.00 -2.18 0.00 0.00 60.65 58.60 2doa h LYS 91 Cb 0.99 0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 31.89 2doa h LYS 91 CO 0.07 -0.75 0.15 0.07 -1.08 0.00 0.00 179.45 177.90 2doa h ARG 92 N -1.16 0.00 -0.15 3.15 0.11 -1.61 -1.71 114.38 113.00 2doa h ARG 92 Ca -0.10 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.81 2doa h ARG 92 Cb 0.93 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.02 2doa h ARG 92 CO 0.11 0.00 -0.55 0.28 0.10 0.00 0.00 179.97 179.91 2doa h VAL 93 N 0.00 1.33 -0.27 0.08 2.07 -1.37 -2.87 116.25 115.23 2doa h VAL 93 Ca 0.09 -1.81 -0.03 0.00 0.82 0.00 0.00 66.70 65.78 2doa h VAL 93 Cb 0.38 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 2doa h VAL 93 CO -0.00 0.56 0.06 -0.07 0.02 0.00 0.00 177.57 178.13 2doa h LEU 94 N 0.29 0.35 -0.16 2.57 3.38 0.18 -1.54 115.31 120.39 2doa h LEU 94 Ca -0.03 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2doa h LEU 94 Cb 1.18 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 2doa h LEU 94 CO 0.12 0.37 -0.11 0.58 0.09 0.00 0.00 178.44 179.49 2doa h VAL 95 N 0.39 1.33 -0.20 1.22 2.07 -1.41 0.83 116.25 120.47 2doa h VAL 95 Ca 0.09 -1.21 -0.06 0.00 0.82 0.00 0.00 66.70 66.35 2doa h VAL 95 Cb 0.17 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2doa h VAL 95 CO -0.00 0.36 -0.12 0.03 0.02 0.00 0.00 177.57 177.85 2doa h ARG 96 N 0.01 0.33 0.00 1.57 2.47 -1.26 -3.34 114.38 114.16 2doa h ARG 96 Ca 0.03 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 2doa h ARG 96 Cb 0.61 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 2doa h ARG 96 CO 0.03 0.46 -0.12 0.87 0.56 0.00 0.00 179.97 181.77 2doa h LYS 97 N 0.31 0.00 -6.61 0.04 1.79 -1.21 -3.46 116.57 107.43 2doa h LYS 97 Ca 0.06 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 58.01 2doa h LYS 97 Cb 0.41 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.06 2doa h LYS 97 CO 0.02 0.00 0.43 -0.51 -1.08 0.00 0.00 179.45 178.31 2doa s LEU 98 N -5.62 4.49 -0.19 2.94 1.43 0.29 -4.54 118.68 117.48 2doa s LEU 98 Ca -0.04 1.95 -0.13 0.00 -1.03 0.00 0.00 54.13 54.89 2doa s LEU 98 Cb 0.00 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.68 2doa s LEU 98 CO 0.05 -0.16 0.26 -0.24 0.23 0.00 0.00 176.35 176.49 2doa n SER 99 N 2.63 -0.20 0.00 2.29 2.88 -1.26 -4.27 113.62 115.69 2doa n SER 99 Ca 0.03 1.34 0.00 0.00 -1.33 0.00 0.00 58.87 58.91 2doa n SER 99 Cb 0.48 -5.26 0.00 0.00 -0.75 0.00 0.00 64.21 58.68 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 1.70 4.81 2.18 0.46 0.00 -1.26 -4.71 105.19 108.37 2doa n GLY 100 Ca -0.43 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.68 0.14 1.61 -0.02 -1.26 -4.94 135.00 128.84 2doa n PRO 101 Ca 0.00 -0.64 -0.05 0.00 -2.02 0.00 0.00 63.50 60.79 2doa n PRO 101 Cb 0.00 -1.12 -0.03 0.00 -0.02 0.00 0.00 33.50 32.34 2doa n PRO 101 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2doa h SER 102 N -2.61 -0.30 -3.22 2.55 0.87 -2.06 -3.42 113.55 105.35 2doa h SER 102 Ca -0.17 0.01 -0.56 0.00 -1.23 0.00 0.00 61.79 59.84 2doa h SER 102 Cb 0.58 0.08 -0.40 0.00 -0.44 0.00 0.00 62.40 62.22 2doa h SER 102 CO 0.10 -0.19 -0.76 -0.55 -0.53 0.00 0.00 176.83 174.90 2doa s SER 103 N -2.81 3.61 0.00 6.23 0.15 -1.26 -5.22 113.70 114.41 2doa s SER 103 Ca -0.05 -1.30 0.00 0.00 0.70 0.00 0.00 55.95 55.30 2doa s SER 103 Cb 0.01 -0.78 0.00 0.00 -1.71 0.00 0.00 66.02 63.54 2doa s SER 103 CO 0.15 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.84