#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2doa h SER 2 N 0.00 0.44 -3.85 1.61 0.02 -2.09 -3.41 113.55 106.27 2doa h SER 2 Ca 0.00 -0.88 -0.77 0.00 -0.84 0.00 0.00 61.79 59.30 2doa h SER 2 Cb 0.00 -0.14 -0.28 0.00 0.14 0.00 0.00 62.40 62.12 2doa h SER 2 CO 0.00 1.66 0.05 -0.44 -1.14 0.00 0.00 176.83 176.96 2doa s SER 3 N -7.10 6.55 0.00 3.07 0.01 -1.26 -5.00 113.70 109.98 2doa s SER 3 Ca -0.19 -2.84 0.00 0.00 1.31 0.00 0.00 55.95 54.23 2doa s SER 3 Cb 0.05 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 64.13 2doa s SER 3 CO 0.79 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 174.55 2doa n GLY 4 N 3.72 2.72 2.51 3.44 0.00 -1.26 -5.10 105.19 111.21 2doa n GLY 4 Ca 0.14 -1.50 -0.15 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 -1.62 -2.67 1.61 7.64 -1.26 -5.02 113.62 112.30 2doa n SER 5 Ca 0.00 -2.90 -0.03 0.00 1.01 0.00 0.00 58.87 56.94 2doa n SER 5 Cb 0.00 0.65 0.04 0.00 -1.01 0.00 0.00 64.21 63.90 2doa n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2doa n SER 6 N 1.95 -1.37 0.00 6.43 2.88 -1.26 -5.17 113.62 117.08 2doa n SER 6 Ca 0.18 -1.05 0.00 0.00 -1.33 0.00 0.00 58.87 56.67 2doa n SER 6 Cb 0.56 0.70 0.00 0.00 -0.75 0.00 0.00 64.21 64.72 2doa n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2doa n GLY 7 N 2.37 5.33 2.41 0.46 0.00 -1.26 -4.89 105.19 109.61 2doa n GLY 7 Ca 0.09 -1.39 -0.18 0.00 0.00 0.00 0.00 46.02 44.54 2doa n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2doa n VAL 8 N 0.00 -0.64 0.00 1.61 0.31 -1.26 -4.68 118.33 113.67 2doa n VAL 8 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2doa n VAL 8 Cb 0.00 -2.36 0.00 0.00 -0.91 0.00 0.00 33.84 30.57 2doa n VAL 8 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2doa n SER 9 N -1.72 0.00 0.10 4.52 3.41 -1.26 -4.82 113.62 113.85 2doa n SER 9 Ca -0.21 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.36 2doa n SER 9 Cb 0.65 0.02 0.09 0.00 -0.26 0.00 0.00 64.21 64.70 2doa n SER 9 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2doa h GLN 10 N 0.00 0.12 -7.19 4.33 4.20 -1.91 -3.45 115.11 111.21 2doa h GLN 10 Ca 0.00 -0.10 -0.53 0.00 0.06 0.00 0.00 58.65 58.07 2doa h GLN 10 Cb 0.00 0.02 0.16 0.00 0.30 0.00 0.00 27.48 27.96 2doa h GLN 10 CO 0.00 0.78 0.38 1.03 -0.67 0.00 0.00 178.83 180.35 2doa s ARG 11 N -3.48 2.04 0.87 1.46 1.81 -1.26 -4.97 118.95 115.43 2doa s ARG 11 Ca -0.02 1.75 -0.12 0.00 -1.72 0.00 0.00 55.73 55.62 2doa s ARG 11 Cb 0.12 -1.82 0.11 0.00 -0.45 0.00 0.00 34.95 32.90 2doa s ARG 11 CO 0.79 -1.90 1.11 -0.35 -0.68 0.00 0.00 175.30 174.27 2doa n PRO 12 N -2.85 -0.17 -0.26 3.54 -0.04 -1.26 -4.87 135.00 129.09 2doa n PRO 12 Ca 0.13 0.02 -0.07 0.00 -0.04 0.00 0.00 63.50 63.55 2doa n PRO 12 Cb 0.50 -2.35 0.05 0.00 -0.04 0.00 0.00 33.50 31.66 2doa n PRO 12 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2doa h PHE 13 N -1.44 1.17 -0.76 0.54 3.57 -1.94 -2.63 116.94 115.45 2doa h PHE 13 Ca -0.44 -0.12 0.03 0.00 3.53 0.00 0.00 57.97 60.97 2doa h PHE 13 Cb 1.28 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.64 2doa h PHE 13 CO 0.47 0.92 0.50 -0.09 -2.23 0.00 0.00 178.31 177.89 2doa h ARG 14 N 1.07 0.91 -0.39 1.11 2.43 -1.99 -2.03 114.38 115.49 2doa h ARG 14 Ca 0.23 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 2doa h ARG 14 Cb 0.30 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 2doa h ARG 14 CO -0.01 0.60 0.09 -0.44 -1.51 0.00 0.00 179.97 178.71 2doa h ASP 15 N 0.94 0.60 -0.63 -3.80 3.32 -1.83 0.57 116.42 115.59 2doa h ASP 15 Ca 0.30 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 2doa h ASP 15 Cb 0.03 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 2doa h ASP 15 CO -0.08 0.69 0.39 0.03 -1.72 0.00 0.00 179.24 178.54 2doa h ARG 16 N 0.50 0.84 0.01 3.56 3.08 -1.22 0.25 114.38 121.40 2doa h ARG 16 Ca 0.12 -0.07 -0.19 0.00 0.07 0.00 0.00 59.98 59.91 2doa h ARG 16 Cb 0.32 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 2doa h ARG 16 CO 0.00 0.59 -0.90 0.28 -1.07 0.00 0.00 179.97 178.88 2doa h VAL 17 N 0.85 1.60 -0.17 2.04 2.07 -1.26 -2.71 116.25 118.67 2doa h VAL 17 Ca 0.23 -2.94 -0.04 0.00 0.82 0.00 0.00 66.70 64.76 2doa h VAL 17 Cb -0.04 2.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2doa h VAL 17 CO -0.04 0.84 -0.06 0.25 0.02 0.00 0.00 177.57 178.58 2doa h LEU 18 N 0.02 0.35 -0.80 2.57 5.85 0.53 -2.27 115.31 121.57 2doa h LEU 18 Ca -0.02 -0.39 -0.11 0.00 0.84 0.00 0.00 57.88 58.20 2doa h LEU 18 Cb 1.57 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 2doa h LEU 18 CO 0.12 0.66 -0.26 0.45 -0.34 0.00 0.00 178.44 179.07 2doa h HIS 19 N 0.04 0.70 0.89 1.25 3.86 -1.03 -1.95 115.15 118.91 2doa h HIS 19 Ca 0.04 -0.16 -0.04 0.00 -1.16 0.00 0.00 60.37 59.05 2doa h HIS 19 Cb 0.52 -0.17 0.01 0.00 1.06 0.00 0.00 27.41 28.83 2doa h HIS 19 CO 0.06 0.82 -0.43 -0.07 0.86 0.00 0.00 177.93 179.17 2doa h LEU 20 N 0.54 -1.01 -2.12 2.43 3.38 -1.43 -2.79 115.31 114.31 2doa h LEU 20 Ca 0.07 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.08 2doa h LEU 20 Cb 0.73 0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 2doa h LEU 20 CO 0.06 -0.68 0.02 -0.07 0.09 0.00 0.00 178.44 177.85 2doa h LEU 21 N -1.26 0.00 -0.88 1.67 3.38 -1.44 -2.08 115.31 114.70 2doa h LEU 21 Ca -0.12 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.90 2doa h LEU 21 Cb 0.92 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.61 2doa h LEU 21 CO 0.20 0.00 0.55 0.00 0.09 0.00 0.00 178.44 179.28 2doa h ALA 22 N 1.99 1.19 0.39 1.53 0.00 -1.08 -2.93 119.26 120.35 2doa h ALA 22 Ca 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2doa h ALA 22 Cb 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2doa h ALA 22 CO -0.00 0.33 -0.19 -0.07 0.00 0.00 0.00 179.25 179.32 2doa h LEU 23 N 1.02 -0.45 -7.03 0.00 3.38 -1.21 -3.48 115.31 107.54 2doa h LEU 23 Ca 0.37 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.30 2doa h LEU 23 Cb 0.13 0.12 -0.14 0.00 0.09 0.00 0.00 40.66 40.86 2doa h LEU 23 CO -0.16 -0.12 0.39 0.00 0.09 0.00 0.00 178.44 178.64 2doa s ARG 24 N -4.93 1.00 -0.01 1.13 1.70 -1.11 -4.94 118.95 111.79 2doa s ARG 24 Ca -0.15 -0.38 -0.36 0.00 -0.47 0.00 0.00 55.73 54.38 2doa s ARG 24 Cb 0.02 0.45 -0.14 0.00 -0.57 0.00 0.00 34.95 34.71 2doa s ARG 24 CO 0.54 -0.44 1.62 -2.30 -1.08 0.00 0.00 175.30 173.65 2doa n PRO 25 N -0.30 1.70 -4.01 3.89 -0.02 -1.26 -4.32 135.00 130.68 2doa n PRO 25 Ca -0.11 0.62 -0.31 0.00 -2.02 0.00 0.00 63.50 61.68 2doa n PRO 25 Cb 0.63 -2.36 -0.16 0.00 -0.02 0.00 0.00 33.50 31.59 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 2.10 2.51 1.31 6.00 2.02 -1.06 -4.86 117.35 125.38 2doa s TYR 26 Ca 0.88 -1.66 -0.19 0.00 -0.37 0.00 0.00 57.07 55.72 2doa s TYR 26 Cb -0.83 -1.68 0.33 0.00 -0.40 0.00 0.00 41.96 39.38 2doa s TYR 26 CO 0.49 -0.76 0.99 1.03 -1.57 0.00 0.00 175.55 175.73 2doa s ARG 27 N 1.36 -2.02 0.07 -0.62 0.52 -1.26 -2.95 118.95 114.06 2doa s ARG 27 Ca -0.02 0.27 -0.29 0.00 -0.52 0.00 0.00 55.73 55.18 2doa s ARG 27 Cb -0.16 -1.47 -0.17 0.00 0.52 0.00 0.00 34.95 33.66 2doa s ARG 27 CO -0.08 -4.31 1.63 0.87 0.02 0.00 0.00 175.30 173.43 2doa h LYS 28 N -3.02 -0.51 -0.32 3.54 1.57 -1.98 0.15 116.57 116.00 2doa h LYS 28 Ca -0.49 0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.15 2doa h LYS 28 Cb 1.33 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.75 2doa h LYS 28 CO 0.36 -0.32 -0.49 0.00 -0.57 0.00 0.00 179.45 178.43 2doa h ALA 29 N 0.04 0.52 -0.13 3.86 0.00 -1.92 -0.05 119.26 121.58 2doa h ALA 29 Ca -0.05 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 2doa h ALA 29 Cb 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2doa h ALA 29 CO 0.09 0.68 -0.07 1.49 0.00 0.00 0.00 179.25 181.44 2doa h GLU 30 N 0.70 0.19 0.03 0.00 4.81 -1.89 -1.47 114.58 116.94 2doa h GLU 30 Ca 0.03 -0.03 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 2doa h GLU 30 Cb 1.09 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 2doa h GLU 30 CO 0.11 0.28 -1.50 1.25 -0.73 0.00 0.00 179.01 178.42 2doa h LEU 31 N 0.19 0.09 -0.12 1.64 5.85 -0.58 -3.25 115.31 119.13 2doa h LEU 31 Ca 0.04 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 2doa h LEU 31 Cb 0.25 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 2doa h LEU 31 CO 0.01 1.12 0.00 -0.07 -0.34 0.00 0.00 178.44 179.17 2doa h LEU 32 N 0.02 0.20 -1.46 2.25 3.38 -0.59 -1.98 115.31 117.12 2doa h LEU 32 Ca -0.21 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.43 2doa h LEU 32 Cb 1.95 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.63 2doa h LEU 32 CO 0.11 0.45 0.08 -0.07 0.09 0.00 0.00 178.44 179.10 2doa h LEU 33 N -0.06 0.40 -0.18 1.67 3.38 -1.43 -0.39 115.31 118.68 2doa h LEU 33 Ca 0.03 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2doa h LEU 33 Cb 0.35 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2doa h LEU 33 CO 0.01 0.40 -0.05 -0.09 0.09 0.00 0.00 178.44 178.79 2doa h ARG 34 N 0.43 0.36 -0.01 1.13 1.12 -1.55 -3.04 114.38 112.83 2doa h ARG 34 Ca 0.10 -0.14 -0.10 0.00 -1.11 0.00 0.00 59.98 58.74 2doa h ARG 34 Cb 0.16 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.09 2doa h ARG 34 CO -0.00 0.63 -0.44 -0.07 -3.11 0.00 0.00 179.97 176.97 2doa h LEU 35 N 0.07 0.02 -1.93 3.80 3.38 -1.05 -2.80 115.31 116.80 2doa h LEU 35 Ca 0.05 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.04 2doa h LEU 35 Cb 0.51 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2doa h LEU 35 CO 0.02 0.46 0.13 -0.61 0.09 0.00 0.00 178.44 178.53 2doa h GLN 36 N 0.02 0.09 -0.13 1.13 4.15 -0.96 0.83 115.11 120.24 2doa h GLN 36 Ca -0.00 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.38 2doa h GLN 36 Cb 0.79 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 2doa h GLN 36 CO 0.06 0.06 -0.07 0.87 -1.93 0.00 0.00 178.83 177.82 2doa h LYS 37 N 0.09 0.19 0.00 1.69 1.57 -1.46 -3.33 116.57 115.33 2doa h LYS 37 Ca 0.08 -0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 58.64 2doa h LYS 37 Cb 0.21 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 2doa h LYS 37 CO -0.01 0.28 -1.58 -0.25 -0.57 0.00 0.00 179.45 177.32 2doa n ASP 38 N -4.35 1.83 -3.58 0.86 8.00 -0.29 -5.05 116.55 113.97 2doa n ASP 38 Ca -0.01 0.31 -0.02 0.00 0.71 0.00 0.00 54.79 55.78 2doa n ASP 38 Cb 0.21 -0.72 -0.06 0.00 -0.02 0.00 0.00 41.12 40.53 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 -5.11 -0.28 -0.29 0.44 0.00 0.27 -5.04 107.32 97.31 2doa s GLY 39 Ca -0.30 2.86 -0.25 0.00 0.00 0.00 0.00 44.72 47.03 2doa s GLY 39 CO 0.42 2.81 1.33 -2.27 0.00 0.00 0.00 173.10 175.39 2doa s LEU 40 N 1.94 -0.16 0.00 0.66 2.96 -1.26 -4.29 118.68 118.53 2doa s LEU 40 Ca -0.07 0.31 0.00 0.00 -0.22 0.00 0.00 54.13 54.15 2doa s LEU 40 Cb -0.06 1.32 0.00 0.00 0.50 0.00 0.00 46.19 47.95 2doa s LEU 40 CO -0.17 -0.06 0.00 0.35 -1.32 0.00 0.00 176.35 175.15 2doa n THR 41 N 1.72 0.00 0.00 3.68 -2.24 -1.26 -4.91 114.28 111.26 2doa n THR 41 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2doa n THR 41 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 -2.10 0.00 -0.13 -0.78 -0.06 -1.26 -4.75 117.38 108.30 2doa n GLN 42 Ca 0.00 0.00 0.02 0.00 -2.00 0.00 0.00 57.00 55.02 2doa n GLN 42 Cb 0.00 -0.11 0.31 0.00 -4.06 0.00 0.00 30.24 26.38 2doa n GLN 42 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2doa h ALA 43 N 0.00 1.53 0.03 1.69 0.00 -2.00 -1.14 119.26 119.38 2doa h ALA 43 Ca 0.00 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.61 2doa h ALA 43 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2doa h ALA 43 CO 0.00 0.42 -1.26 -0.44 0.00 0.00 0.00 179.25 177.97 2doa h ASP 44 N 0.84 0.09 -0.18 0.00 5.19 -1.96 -3.04 116.42 117.36 2doa h ASP 44 Ca 0.22 -0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.50 2doa h ASP 44 Cb -0.07 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.41 2doa h ASP 44 CO -0.05 1.09 0.04 0.11 -3.12 0.00 0.00 179.24 177.31 2doa h LYS 45 N 0.02 0.29 -0.03 3.56 1.57 -1.72 0.10 116.57 120.36 2doa h LYS 45 Ca -0.12 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.49 2doa h LYS 45 Cb 1.88 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 34.14 2doa h LYS 45 CO 0.13 0.44 -0.45 0.22 -0.57 0.00 0.00 179.45 179.22 2doa h ASP 46 N 0.09 0.08 0.97 0.86 1.82 -1.35 -2.88 116.42 116.02 2doa h ASP 46 Ca 0.06 -0.03 -0.16 0.00 -0.39 0.00 0.00 57.03 56.50 2doa h ASP 46 Cb 0.29 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.25 2doa h ASP 46 CO 0.00 0.52 -0.76 0.00 -1.61 0.00 0.00 179.24 177.40 2doa h ALA 47 N 1.48 0.63 -0.50 -0.78 0.00 -1.39 -3.28 119.26 115.42 2doa h ALA 47 Ca 0.00 -0.69 0.02 0.00 0.00 0.00 0.00 54.91 54.25 2doa h ALA 47 Cb 0.83 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2doa h ALA 47 CO 0.06 0.94 0.29 1.25 0.00 0.00 0.00 179.25 181.80 2doa h LEU 48 N 0.00 0.47 -0.20 0.00 5.85 -0.56 0.51 115.31 121.39 2doa h LEU 48 Ca -0.01 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2doa h LEU 48 Cb 1.45 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 2doa h LEU 48 CO 0.10 0.33 0.12 -0.78 -0.34 0.00 0.00 178.44 177.87 2doa h ASP 49 N 0.59 0.21 0.49 1.25 1.82 -1.61 0.17 116.42 119.33 2doa h ASP 49 Ca 0.20 -0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.78 2doa h ASP 49 Cb 0.03 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 39.98 2doa h ASP 49 CO -0.10 0.15 -0.27 1.23 -1.61 0.00 0.00 179.24 178.65 2doa h GLY 50 N 0.25 0.00 0.35 -0.78 0.00 -1.56 -2.71 103.07 98.62 2doa h GLY 50 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 2doa h GLY 50 CO -0.02 0.00 -0.31 -2.00 0.00 0.00 0.00 176.54 174.21 2doa h LEU 51 N 0.00 0.20 -2.16 3.11 5.85 -0.34 -3.05 115.31 118.92 2doa h LEU 51 Ca -0.00 -0.91 0.03 0.00 0.84 0.00 0.00 57.88 57.84 2doa h LEU 51 Cb 0.58 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 2doa h LEU 51 CO 0.03 1.09 0.09 -0.07 -0.34 0.00 0.00 178.44 179.25 2doa h LEU 52 N -0.65 0.00 -0.07 2.25 3.38 -0.64 0.72 115.31 120.30 2doa h LEU 52 Ca -0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 2doa h LEU 52 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2doa h LEU 52 CO 0.06 0.00 -0.50 1.56 0.09 0.00 0.00 178.44 179.65 2doa h GLN 53 N 0.00 0.00 0.00 1.13 1.08 -1.54 -2.19 115.11 113.60 2doa h GLN 53 Ca 0.05 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.03 2doa h GLN 53 Cb 0.24 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.64 2doa h GLN 53 CO -0.00 0.50 -1.47 1.04 -0.95 0.00 0.00 178.83 177.94 2doa n GLN 54 N -3.24 0.54 -1.12 1.46 6.02 -0.02 -4.45 117.38 116.57 2doa n GLN 54 Ca 0.02 0.40 -0.24 0.00 -0.01 0.00 0.00 57.00 57.17 2doa n GLN 54 Cb 0.72 -1.60 0.13 0.00 1.02 0.00 0.00 30.24 30.51 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 -4.42 3.10 -3.60 5.09 0.24 0.23 -4.92 118.33 114.05 2doa n VAL 55 Ca -0.31 -2.00 -0.04 0.00 -2.04 0.00 0.00 64.34 59.95 2doa n VAL 55 Cb 0.64 -0.77 -0.02 0.00 -1.47 0.00 0.00 33.84 32.21 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 -3.03 -2.08 -0.15 2.33 0.00 -0.82 -4.48 121.76 113.52 2doa s ALA 56 Ca 0.52 1.65 -0.02 0.00 0.00 0.00 0.00 51.96 54.11 2doa s ALA 56 Cb 0.43 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.29 2doa s ALA 56 CO 0.06 -0.56 -0.09 -0.80 0.00 0.00 0.00 175.76 174.36 2doa s ASN 57 N -2.06 4.24 0.21 0.00 0.01 0.27 -4.06 114.94 113.54 2doa s ASN 57 Ca 0.09 -0.30 -0.25 0.00 -0.71 0.00 0.00 52.86 51.70 2doa s ASN 57 Cb -0.01 -1.67 -0.08 0.00 0.41 0.00 0.00 41.25 39.89 2doa s ASN 57 CO -0.04 0.13 0.81 -0.32 -1.51 0.00 0.00 177.10 176.17 2doa s MET 58 N 0.56 4.56 0.05 -0.60 1.75 -1.26 -1.46 119.30 122.90 2doa s MET 58 Ca -0.06 1.18 -0.27 0.00 -1.25 0.00 0.00 55.69 55.28 2doa s MET 58 Cb -0.15 -3.14 -0.05 0.00 2.84 0.00 0.00 34.83 34.33 2doa s MET 58 CO 0.03 0.50 0.86 0.45 -0.65 0.00 0.00 175.02 176.21 2doa s SER 59 N -1.30 7.32 -1.31 1.11 0.15 -1.20 -4.95 113.70 113.52 2doa s SER 59 Ca 0.39 1.58 -0.10 0.00 0.70 0.00 0.00 55.95 58.53 2doa s SER 59 Cb -0.22 -2.52 0.15 0.00 -1.71 0.00 0.00 66.02 61.72 2doa s SER 59 CO 0.26 -0.07 1.96 0.00 1.20 0.00 0.00 173.24 176.59 2doa n ALA 60 N 3.05 5.52 0.00 5.45 0.00 -1.26 -3.53 120.51 129.74 2doa n ALA 60 Ca 0.01 -4.24 0.00 0.00 0.00 0.00 0.00 53.44 49.20 2doa n ALA 60 Cb 0.50 -3.04 0.00 0.00 0.00 0.00 0.00 19.45 16.91 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 3.97 0.00 0.05 0.00 4.81 -1.26 -5.04 118.16 120.69 2doa n LYS 61 Ca 0.43 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 2doa n LYS 61 Cb 0.36 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.41 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 -1.44 0.59 0.00 3.14 9.92 -1.25 -5.09 116.55 122.42 2doa n ASP 62 Ca 0.00 0.17 0.00 0.00 -0.53 0.00 0.00 54.79 54.43 2doa n ASP 62 Cb 0.00 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.37 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 3.02 0.32 3.53 0.44 0.00 -1.23 -5.00 105.19 106.27 2doa n GLY 63 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.41 5.21 0.43 2.61 2.01 -1.26 -3.73 115.64 120.50 2doa s THR 64 Ca 0.00 -0.13 -0.25 0.00 0.31 0.00 0.00 61.69 61.62 2doa s THR 64 Cb 0.00 -3.80 -0.08 0.00 0.01 0.00 0.00 72.50 68.63 2doa s THR 64 CO 0.00 -0.10 1.25 0.00 -0.69 0.00 0.00 174.62 175.08 2doa s THR 66 N -1.36 0.11 0.71 0.00 -4.23 -0.53 -2.56 115.64 107.78 2doa s THR 66 Ca 0.60 0.28 -0.16 0.00 -1.18 0.00 0.00 61.69 61.23 2doa s THR 66 Cb -0.35 -0.31 0.03 0.00 1.34 0.00 0.00 72.50 73.21 2doa s THR 66 CO 0.43 0.21 1.26 -0.22 -0.54 0.00 0.00 174.62 175.76 2doa s LEU 67 N 2.01 3.40 0.73 4.79 2.96 -1.26 -0.56 118.68 130.74 2doa s LEU 67 Ca 0.04 2.52 -0.08 0.00 -0.22 0.00 0.00 54.13 56.39 2doa s LEU 67 Cb -0.12 -4.61 0.06 0.00 0.50 0.00 0.00 46.19 42.02 2doa s LEU 67 CO -0.04 -2.27 1.06 -1.10 -1.32 0.00 0.00 176.35 172.67 2doa s GLN 68 N -3.69 2.18 0.09 1.98 -0.21 -1.26 -4.83 119.66 113.92 2doa s GLN 68 Ca 0.79 -0.13 -0.15 0.00 0.02 0.00 0.00 55.36 55.88 2doa s GLN 68 Cb -0.34 -2.11 -0.09 0.00 1.00 0.00 0.00 33.01 31.47 2doa s GLN 68 CO 0.44 -1.31 1.42 -0.44 -2.12 0.00 0.00 175.29 173.29 2doa h ASP 69 N -0.71 0.70 -0.04 5.90 5.19 -1.95 -2.90 116.42 122.62 2doa h ASP 69 Ca -0.45 -0.46 -0.20 0.00 -0.62 0.00 0.00 57.03 55.30 2doa h ASP 69 Cb 1.32 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.63 2doa h ASP 69 CO 0.62 1.01 -0.71 0.00 -3.12 0.00 0.00 179.24 177.04 2doa h MET 71 N 0.47 0.00 -0.22 0.00 2.86 -1.95 -1.10 114.93 115.00 2doa h MET 71 Ca -0.03 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2doa h MET 71 Cb 1.32 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.97 2doa h MET 71 CO 0.14 0.00 0.15 1.88 1.06 0.00 0.00 176.91 180.14 2doa h TYR 72 N 0.00 0.21 -0.06 -0.22 0.05 -1.43 -0.83 116.97 114.70 2doa h TYR 72 Ca 0.05 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.75 2doa h TYR 72 Cb 0.19 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 2doa h TYR 72 CO 0.00 0.12 -0.32 0.87 -1.05 0.00 0.00 178.16 177.78 2doa h LYS 73 N 0.22 0.10 0.00 4.88 1.79 -1.34 -2.46 116.57 119.76 2doa h LYS 73 Ca 0.09 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.47 2doa h LYS 73 Cb 0.09 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 2doa h LYS 73 CO -0.02 0.42 -0.27 -0.44 -1.08 0.00 0.00 179.45 178.06 2doa h ASP 74 N 0.09 0.00 -3.23 0.86 3.32 -1.23 -3.44 116.42 112.80 2doa h ASP 74 Ca 0.01 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.49 2doa h ASP 74 Cb 0.62 0.00 0.10 0.00 0.22 0.00 0.00 39.33 40.27 2doa h ASP 74 CO 0.05 0.27 0.56 0.52 -1.72 0.00 0.00 179.24 178.92 2doa n VAL 75 N -3.86 1.76 -3.99 -1.35 0.31 -0.93 -4.99 118.33 105.27 2doa n VAL 75 Ca -0.02 -0.44 -0.30 0.00 -0.01 0.00 0.00 64.34 63.57 2doa n VAL 75 Cb 0.36 -1.59 -0.05 0.00 -0.91 0.00 0.00 33.84 31.64 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 -1.55 3.16 0.15 5.55 -0.21 -1.26 -5.02 119.66 120.48 2doa s GLN 76 Ca 0.58 -0.59 0.16 0.00 0.02 0.00 0.00 55.36 55.53 2doa s GLN 76 Cb -0.57 -2.87 -0.05 0.00 1.00 0.00 0.00 33.01 30.51 2doa s GLN 76 CO 0.59 0.58 1.09 0.87 -2.12 0.00 0.00 175.29 176.29 2doa h LYS 77 N 3.06 0.00 -1.43 2.91 1.57 -1.98 -3.33 116.57 117.36 2doa h LYS 77 Ca -0.46 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.80 2doa h LYS 77 Cb 1.17 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.27 2doa h LYS 77 CO 0.70 0.37 0.64 -0.25 -0.57 0.00 0.00 179.45 180.34 2doa n ASP 78 N -3.02 7.03 -4.65 0.86 8.00 -1.26 -4.94 116.55 118.57 2doa n ASP 78 Ca -0.04 -3.42 -0.42 0.00 0.71 0.00 0.00 54.79 51.61 2doa n ASP 78 Cb 0.79 -1.05 -0.03 0.00 -0.02 0.00 0.00 41.12 40.80 2doa n ASP 78 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2doa s TRP 79 N -2.75 3.31 0.60 1.24 -0.11 -1.25 -4.92 118.94 115.06 2doa s TRP 79 Ca 0.49 1.25 0.29 0.00 1.22 0.00 0.00 56.10 59.35 2doa s TRP 79 Cb 0.38 -3.16 1.43 0.00 -1.50 0.00 0.00 33.47 30.62 2doa s TRP 79 CO -0.07 -0.45 1.84 -1.35 -4.62 0.00 0.00 176.95 172.30 2doa h PRO 80 N 7.62 0.00 0.04 5.86 0.11 -1.96 -1.76 132.00 141.90 2doa h PRO 80 Ca -0.21 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.90 2doa h PRO 80 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2doa h PRO 80 CO 0.92 0.00 -0.07 0.78 -0.21 0.00 0.00 178.00 179.42 2doa h GLY 81 N 0.00 -0.11 -0.84 -0.55 0.00 -1.94 -3.44 103.07 96.19 2doa h GLY 81 Ca 0.23 0.08 -0.44 0.00 0.00 0.00 0.00 47.33 47.20 2doa h GLY 81 CO -0.00 -0.08 0.22 -0.19 0.00 0.00 0.00 176.54 176.49 2doa s TYR 82 N -6.17 1.83 0.10 5.60 2.02 -0.66 -5.01 117.35 115.05 2doa s TYR 82 Ca -0.14 0.80 0.00 0.00 -0.37 0.00 0.00 57.07 57.36 2doa s TYR 82 Cb 0.07 -3.39 0.00 0.00 -0.40 0.00 0.00 41.96 38.24 2doa s TYR 82 CO 0.66 -2.98 0.00 0.45 -1.57 0.00 0.00 175.55 172.11 2doa n SER 83 N -4.19 -0.44 0.08 2.29 2.88 -1.26 -4.95 113.62 108.04 2doa n SER 83 Ca 0.08 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 2doa n SER 83 Cb 0.58 0.57 0.00 0.00 -0.75 0.00 0.00 64.21 64.62 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 -2.76 0.00 -0.18 -1.46 2.13 -1.26 -4.87 120.64 112.23 2doa n GLU 84 Ca 0.00 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 2doa n GLU 84 Cb 0.00 0.00 0.11 0.00 0.27 0.00 0.00 31.44 31.82 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 1.04 1.88 8.31 0.00 -2.00 -2.33 103.07 109.97 2doa h GLY 85 Ca 0.00 -0.66 -0.23 0.00 0.00 0.00 0.00 47.33 46.44 2doa h GLY 85 CO 0.00 0.61 -1.08 -0.55 0.00 0.00 0.00 176.54 175.52 2doa h ASP 86 N 0.91 0.13 -0.81 0.19 3.32 -1.97 -3.17 116.42 115.02 2doa h ASP 86 Ca 0.19 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 2doa h ASP 86 Cb 0.39 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 2doa h ASP 86 CO 0.01 1.11 0.34 1.56 -1.72 0.00 0.00 179.24 180.54 2doa h GLN 87 N 0.02 1.20 -0.31 3.56 4.20 -1.85 -0.61 115.11 121.33 2doa h GLN 87 Ca -0.05 -0.21 -0.13 0.00 0.06 0.00 0.00 58.65 58.33 2doa h GLN 87 Cb 1.83 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 29.40 2doa h GLN 87 CO 0.15 0.96 -0.33 1.96 -0.67 0.00 0.00 178.83 180.90 2doa h GLN 88 N 1.18 0.67 -0.20 1.46 4.20 -1.49 -2.94 115.11 117.99 2doa h GLN 88 Ca 0.27 -0.31 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 2doa h GLN 88 Cb 0.19 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 2doa h GLN 88 CO -0.03 0.91 -0.13 1.25 -0.67 0.00 0.00 178.83 180.17 2doa h LEU 89 N 0.57 0.46 -2.16 1.46 5.85 -1.45 -2.93 115.31 117.11 2doa h LEU 89 Ca 0.06 -0.44 0.05 0.00 0.84 0.00 0.00 57.88 58.40 2doa h LEU 89 Cb 0.84 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 2doa h LEU 89 CO 0.07 0.79 0.15 0.25 -0.34 0.00 0.00 178.44 179.37 2doa h LEU 90 N 0.12 0.00 0.05 2.25 6.46 -1.09 -1.40 115.31 121.70 2doa h LEU 90 Ca 0.04 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2doa h LEU 90 Cb 0.64 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.57 2doa h LEU 90 CO 0.04 0.00 -0.02 0.11 -0.62 0.00 0.00 178.44 177.94 2doa h LYS 91 N 0.00 -0.06 -0.12 1.25 1.57 -1.33 -2.71 116.57 115.16 2doa h LYS 91 Ca 0.08 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 2doa h LYS 91 Cb 0.39 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2doa h LYS 91 CO -0.00 0.34 -0.21 0.07 -0.57 0.00 0.00 179.45 179.08 2doa h ARG 92 N -0.49 0.21 -0.07 3.15 0.11 -1.36 -2.70 114.38 113.24 2doa h ARG 92 Ca -0.01 -0.06 -0.00 0.00 0.10 0.00 0.00 59.98 60.01 2doa h ARG 92 Cb 0.44 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 31.49 2doa h ARG 92 CO 0.01 0.42 0.03 0.28 0.10 0.00 0.00 179.97 180.81 2doa h VAL 93 N 0.19 1.09 -0.69 0.08 2.07 -1.23 -2.49 116.25 115.27 2doa h VAL 93 Ca 0.03 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 2doa h VAL 93 Cb 0.48 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 2doa h VAL 93 CO 0.03 0.08 0.31 -0.07 0.02 0.00 0.00 177.57 177.94 2doa h LEU 94 N 0.01 0.90 -1.83 2.57 3.38 -1.33 -0.97 115.31 118.03 2doa h LEU 94 Ca 0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2doa h LEU 94 Cb 0.09 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 2doa h LEU 94 CO -0.00 0.78 -0.01 0.58 0.09 0.00 0.00 178.44 179.88 2doa h VAL 95 N 0.98 1.05 0.03 1.22 2.07 -1.24 0.80 116.25 121.17 2doa h VAL 95 Ca 0.24 -0.20 -0.27 0.00 0.82 0.00 0.00 66.70 67.29 2doa h VAL 95 Cb 0.14 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 2doa h VAL 95 CO -0.03 0.07 -1.42 0.03 0.02 0.00 0.00 177.57 176.23 2doa h ARG 96 N 0.09 0.07 0.04 1.57 2.47 -0.92 -3.34 114.38 114.36 2doa h ARG 96 Ca 0.02 -0.12 -0.24 0.00 -1.26 0.00 0.00 59.98 58.38 2doa h ARG 96 Cb 0.08 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.42 2doa h ARG 96 CO 0.00 0.84 -1.20 0.87 0.56 0.00 0.00 179.97 181.04 2doa h LYS 97 N 0.02 0.08 -6.85 0.04 1.79 -0.55 -3.46 116.57 107.64 2doa h LYS 97 Ca -0.18 -0.13 -0.47 0.00 -2.18 0.00 0.00 60.65 57.68 2doa h LYS 97 Cb 1.93 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 32.61 2doa h LYS 97 CO 0.12 0.98 0.19 -0.51 -1.08 0.00 0.00 179.45 179.15 2doa s LEU 98 N -6.73 4.02 -0.05 2.94 1.43 0.27 -4.96 118.68 115.60 2doa s LEU 98 Ca -0.02 1.43 -0.02 0.00 -1.03 0.00 0.00 54.13 54.50 2doa s LEU 98 Cb 0.09 -4.24 0.03 0.00 0.03 0.00 0.00 46.19 42.09 2doa s LEU 98 CO 0.84 -0.26 0.04 -0.44 0.23 0.00 0.00 176.35 176.76 2doa s SER 99 N -2.23 1.15 0.00 2.29 0.01 -1.26 -4.84 113.70 108.81 2doa s SER 99 Ca 0.57 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.87 2doa s SER 99 Cb -0.10 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.93 2doa s SER 99 CO 0.16 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.19 2doa n GLY 100 N 5.16 3.19 3.35 3.44 0.00 -1.26 -5.14 105.19 113.93 2doa n GLY 100 Ca -0.06 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 2doa n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2doa n PRO 101 N 0.00 -3.49 -3.77 1.61 -0.04 -1.26 -5.02 135.00 123.03 2doa n PRO 101 Ca 0.00 -1.64 -0.37 0.00 -0.04 0.00 0.00 63.50 61.45 2doa n PRO 101 Cb 0.00 -1.65 -0.13 0.00 -0.04 0.00 0.00 33.50 31.68 2doa n PRO 101 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2doa s SER 102 N -4.09 5.07 -0.04 3.54 0.15 -1.26 -4.92 113.70 112.14 2doa s SER 102 Ca 0.68 -0.67 -0.01 0.00 0.70 0.00 0.00 55.95 56.66 2doa s SER 102 Cb -0.08 -1.87 -0.02 0.00 -1.71 0.00 0.00 66.02 62.34 2doa s SER 102 CO 0.53 -0.17 -0.05 -0.24 1.20 0.00 0.00 173.24 174.51 2doa n SER 103 N 4.86 1.99 0.00 5.45 2.88 -1.26 -5.36 113.62 122.18 2doa n SER 103 Ca -0.15 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 2doa n SER 103 Cb 0.48 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 2doa n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42