#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 -0.57 -2.70 1.61 7.64 -1.26 -5.09 113.62 113.25 2doa n SER 2 Ca 0.00 -2.32 -0.06 0.00 1.01 0.00 0.00 58.87 57.50 2doa n SER 2 Cb 0.00 1.21 0.07 0.00 -1.01 0.00 0.00 64.21 64.48 2doa n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2doa n SER 3 N -2.07 0.12 -2.59 6.43 3.41 -1.26 -4.97 113.62 112.69 2doa n SER 3 Ca 0.04 -2.49 -0.32 0.00 -0.26 0.00 0.00 58.87 55.83 2doa n SER 3 Cb 0.38 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2doa n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2doa n GLY 4 N -0.45 4.94 3.67 5.00 0.00 -1.26 -4.93 105.19 112.16 2doa n GLY 4 Ca 0.02 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.65 2doa n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2doa s SER 5 N -0.45 3.69 0.47 1.61 0.01 -1.26 -5.17 113.70 112.61 2doa s SER 5 Ca 0.54 -1.60 0.05 0.00 1.31 0.00 0.00 55.95 56.25 2doa s SER 5 Cb 0.41 0.34 -0.03 0.00 0.21 0.00 0.00 66.02 66.95 2doa s SER 5 CO -0.26 -0.79 0.14 -0.44 0.41 0.00 0.00 173.24 172.29 2doa s SER 6 N -3.77 4.27 0.00 2.44 0.01 -1.26 -4.92 113.70 110.48 2doa s SER 6 Ca 0.16 -1.36 0.00 0.00 1.31 0.00 0.00 55.95 56.06 2doa s SER 6 Cb 0.04 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.31 2doa s SER 6 CO 0.09 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 173.60 2doa n GLY 7 N -1.31 4.25 0.10 3.44 0.00 -1.26 -4.93 105.19 105.48 2doa n GLY 7 Ca -0.08 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 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 1.29 0.03 1.61 0.31 -1.26 -4.15 118.33 116.17 2doa n VAL 8 Ca 0.00 -0.76 -0.10 0.00 -0.01 0.00 0.00 64.34 63.46 2doa n VAL 8 Cb 0.00 -0.60 -0.13 0.00 -0.91 0.00 0.00 33.84 32.20 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 0.11 0.25 4.52 0.87 -1.91 -3.31 113.55 114.07 2doa h SER 9 Ca -0.51 -0.15 -0.09 0.00 -1.23 0.00 0.00 61.79 59.81 2doa h SER 9 Cb 2.12 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 64.03 2doa h SER 9 CO 0.02 1.13 -0.35 -0.61 -0.53 0.00 0.00 176.83 176.48 2doa h GLN 10 N 0.02 0.16 -7.11 2.24 4.15 -1.94 -3.44 115.11 109.19 2doa h GLN 10 Ca -0.17 -0.06 -0.49 0.00 0.77 0.00 0.00 58.65 58.70 2doa h GLN 10 Cb 1.92 -0.01 0.05 0.00 0.21 0.00 0.00 27.48 29.66 2doa h GLN 10 CO 0.12 0.49 0.40 1.03 -1.93 0.00 0.00 178.83 178.94 2doa s ARG 11 N -4.26 3.49 0.98 1.69 1.81 -1.25 -5.02 118.95 116.39 2doa s ARG 11 Ca -0.04 1.43 -0.13 0.00 -1.72 0.00 0.00 55.73 55.27 2doa s ARG 11 Cb 0.14 -2.04 0.20 0.00 -0.45 0.00 0.00 34.95 32.80 2doa s ARG 11 CO 0.75 -0.70 0.45 -2.30 -0.68 0.00 0.00 175.30 172.82 2doa n PRO 12 N -1.36 -1.75 -0.06 3.54 -0.02 -1.26 -4.82 135.00 129.26 2doa n PRO 12 Ca 0.10 -0.76 -0.15 0.00 -2.02 0.00 0.00 63.50 60.67 2doa n PRO 12 Cb 0.52 -1.41 -0.13 0.00 -0.02 0.00 0.00 33.50 32.46 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 -2.84 0.05 -0.20 6.00 3.57 -1.95 -3.22 116.94 118.36 2doa h PHE 13 Ca -0.21 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.26 2doa h PHE 13 Cb 0.69 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 2doa h PHE 13 CO 0.00 1.08 0.13 -0.09 -2.23 0.00 0.00 178.31 177.20 2doa h ARG 14 N -0.94 0.24 -0.53 1.11 2.43 -1.99 -1.60 114.38 113.10 2doa h ARG 14 Ca -0.05 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 2doa h ARG 14 Cb 1.09 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 2doa h ARG 14 CO -0.01 0.16 -0.03 -0.44 -1.51 0.00 0.00 179.97 178.14 2doa h ASP 15 N 0.24 0.89 -0.48 -3.80 5.19 -1.92 0.61 116.42 117.16 2doa h ASP 15 Ca 0.07 -0.25 -0.09 0.00 -0.62 0.00 0.00 57.03 56.14 2doa h ASP 15 Cb 0.01 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.26 2doa h ASP 15 CO -0.02 0.97 -0.07 0.03 -3.12 0.00 0.00 179.24 177.04 2doa h ARG 16 N 0.84 0.89 0.11 3.56 3.08 -1.31 -2.41 114.38 119.14 2doa h ARG 16 Ca 0.15 -0.32 -0.28 0.00 0.07 0.00 0.00 59.98 59.60 2doa h ARG 16 Cb 0.54 -0.06 0.02 0.00 0.08 0.00 0.00 29.97 30.55 2doa h ARG 16 CO 0.03 0.96 -1.20 0.28 -1.07 0.00 0.00 179.97 178.97 2doa h VAL 17 N 0.74 1.37 -0.12 2.04 2.07 -1.30 -2.11 116.25 118.93 2doa h VAL 17 Ca 0.13 -2.63 0.00 0.00 0.82 0.00 0.00 66.70 65.02 2doa h VAL 17 Cb 0.60 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 33.09 2doa h VAL 17 CO 0.04 0.79 0.08 0.25 0.02 0.00 0.00 177.57 178.74 2doa h LEU 18 N 0.20 0.12 0.03 2.57 5.85 0.26 -0.08 115.31 124.26 2doa h LEU 18 Ca -0.16 -0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.27 2doa h LEU 18 Cb 1.88 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.83 2doa h LEU 18 CO 0.22 0.09 -1.66 0.45 -0.34 0.00 0.00 178.44 177.20 2doa h HIS 19 N 0.15 0.10 0.21 1.25 3.86 -1.46 -3.23 115.15 116.02 2doa h HIS 19 Ca 0.04 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 2doa h HIS 19 Cb 0.00 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2doa h HIS 19 CO -0.00 1.13 -0.10 -0.07 0.86 0.00 0.00 177.93 179.75 2doa h LEU 20 N 0.01 -0.24 -1.70 2.43 3.38 -0.72 -2.69 115.31 115.79 2doa h LEU 20 Ca -0.27 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2doa h LEU 20 Cb 1.99 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.79 2doa h LEU 20 CO 0.09 0.13 0.18 -0.07 0.09 0.00 0.00 178.44 178.86 2doa h LEU 21 N -0.64 0.33 -0.61 1.67 3.38 -1.18 -2.12 115.31 116.14 2doa h LEU 21 Ca -0.03 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2doa h LEU 21 Cb 0.46 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2doa h LEU 21 CO 0.05 0.25 0.27 0.00 0.09 0.00 0.00 178.44 179.10 2doa h ALA 22 N 1.81 0.79 -0.57 1.53 0.00 -1.56 -2.87 119.26 118.38 2doa h ALA 22 Ca 0.10 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2doa h ALA 22 Cb -0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2doa h ALA 22 CO -0.02 0.37 0.14 -0.07 0.00 0.00 0.00 179.25 179.67 2doa h LEU 23 N 0.84 0.87 -7.00 0.00 3.38 -1.05 -3.47 115.31 108.87 2doa h LEU 23 Ca 0.21 -0.23 0.22 0.00 0.09 0.00 0.00 57.88 58.16 2doa h LEU 23 Cb 0.15 -0.23 -0.21 0.00 0.09 0.00 0.00 40.66 40.46 2doa h LEU 23 CO -0.02 0.88 0.78 0.00 0.09 0.00 0.00 178.44 180.17 2doa s ARG 24 N -5.30 0.33 0.17 1.13 1.70 -1.01 -4.97 118.95 110.99 2doa s ARG 24 Ca -0.13 -0.05 -0.34 0.00 -0.47 0.00 0.00 55.73 54.75 2doa s ARG 24 Cb 0.13 0.15 -0.15 0.00 -0.57 0.00 0.00 34.95 34.51 2doa s ARG 24 CO 0.81 -0.13 1.42 -2.30 -1.08 0.00 0.00 175.30 174.03 2doa n PRO 25 N 0.17 1.78 -3.93 3.89 -0.02 -1.26 -4.11 135.00 131.52 2doa n PRO 25 Ca -0.02 0.64 -0.29 0.00 -2.02 0.00 0.00 63.50 61.81 2doa n PRO 25 Cb 0.58 -2.31 -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 0.40 1.94 1.06 6.00 2.02 -0.41 -4.87 117.35 123.47 2doa s TYR 26 Ca 0.76 -1.22 -0.18 0.00 -0.37 0.00 0.00 57.07 56.06 2doa s TYR 26 Cb -0.75 -1.43 0.27 0.00 -0.40 0.00 0.00 41.96 39.65 2doa s TYR 26 CO 0.45 -0.65 0.79 0.54 -1.57 0.00 0.00 175.55 175.11 2doa n ARG 27 N 4.81 -3.38 0.03 -0.62 3.00 -1.26 -2.10 116.66 117.14 2doa n ARG 27 Ca -0.13 -1.29 -0.20 0.00 -0.01 0.00 0.00 57.85 56.23 2doa n ARG 27 Cb 0.48 -1.38 -0.10 0.00 0.00 0.00 0.00 32.46 31.45 2doa n ARG 27 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2doa h LYS 28 N 0.00 0.67 0.17 5.56 3.64 -1.92 -2.03 116.57 122.66 2doa h LYS 28 Ca -0.32 -0.70 -0.26 0.00 -1.27 0.00 0.00 60.65 58.10 2doa h LYS 28 Cb 1.02 0.19 0.03 0.00 -0.41 0.00 0.00 32.23 33.06 2doa h LYS 28 CO 0.20 1.29 -1.13 0.00 -2.27 0.00 0.00 179.45 177.55 2doa h ALA 29 N 0.40 -0.10 -0.10 5.00 0.00 -1.93 -2.32 119.26 120.22 2doa h ALA 29 Ca -0.11 -0.76 -0.07 0.00 0.00 0.00 0.00 54.91 53.97 2doa h ALA 29 Cb 1.61 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 2doa h ALA 29 CO 0.19 0.54 -0.24 1.49 0.00 0.00 0.00 179.25 181.23 2doa h GLU 30 N -0.04 0.17 0.13 0.00 4.81 -1.93 -2.55 114.58 115.17 2doa h GLU 30 Ca -0.19 -0.05 -0.28 0.00 -0.13 0.00 0.00 59.36 58.71 2doa h GLU 30 Cb 1.87 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 31.24 2doa h GLU 30 CO 0.21 0.42 -1.24 1.25 -0.73 0.00 0.00 179.01 178.92 2doa h LEU 31 N 0.16 0.51 -0.88 1.64 5.85 -1.44 -3.02 115.31 118.14 2doa h LEU 31 Ca 0.03 -0.53 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 2doa h LEU 31 Cb 0.52 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 2doa h LEU 31 CO 0.04 1.40 0.47 -0.07 -0.34 0.00 0.00 178.44 179.93 2doa h LEU 32 N 0.11 1.11 -0.34 2.25 3.38 -1.16 -1.49 115.31 119.17 2doa h LEU 32 Ca -0.15 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 2doa h LEU 32 Cb 1.95 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.41 2doa h LEU 32 CO 0.21 0.90 -0.28 -0.07 0.09 0.00 0.00 178.44 179.29 2doa h LEU 33 N 1.23 0.84 -0.33 1.67 3.38 -1.54 -1.54 115.31 119.02 2doa h LEU 33 Ca 0.31 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2doa h LEU 33 Cb 0.05 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2doa h LEU 33 CO -0.05 1.11 0.21 -0.09 0.09 0.00 0.00 178.44 179.72 2doa h ARG 34 N 0.57 0.44 -0.02 1.13 1.12 -1.36 -2.05 114.38 114.21 2doa h ARG 34 Ca 0.06 -0.03 -0.09 0.00 -1.11 0.00 0.00 59.98 58.81 2doa h ARG 34 Cb 0.86 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.71 2doa h ARG 34 CO 0.07 0.30 -0.43 -0.07 -3.11 0.00 0.00 179.97 176.74 2doa h LEU 35 N 0.44 0.05 -0.82 3.80 3.38 -1.27 -2.92 115.31 117.97 2doa h LEU 35 Ca 0.12 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2doa h LEU 35 Cb -0.04 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2doa h LEU 35 CO -0.03 0.47 0.11 -0.61 0.09 0.00 0.00 178.44 178.48 2doa h GLN 36 N 0.04 0.99 -0.11 1.13 4.15 -0.72 0.82 115.11 121.42 2doa h GLN 36 Ca 0.00 -0.24 -0.01 0.00 0.77 0.00 0.00 58.65 59.16 2doa h GLN 36 Cb 0.77 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 2doa h GLN 36 CO 0.06 0.91 0.01 0.87 -1.93 0.00 0.00 178.83 178.75 2doa h LYS 37 N 0.94 0.15 0.04 1.69 1.57 -1.19 -2.90 116.57 116.88 2doa h LYS 37 Ca 0.19 -0.02 -0.35 0.00 -1.87 0.00 0.00 60.65 58.60 2doa h LYS 37 Cb 0.39 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 2doa h LYS 37 CO 0.01 0.17 -2.12 -0.25 -0.57 0.00 0.00 179.45 176.68 2doa n ASP 38 N -4.45 1.37 0.00 0.86 9.92 -0.94 -5.02 116.55 118.30 2doa n ASP 38 Ca -0.01 0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 2doa n ASP 38 Cb 0.14 -0.20 0.00 0.00 -0.64 0.00 0.00 41.12 40.42 2doa n ASP 38 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2doa n GLY 39 N 1.91 0.92 2.95 0.44 0.00 0.28 -4.89 105.19 106.79 2doa n GLY 39 Ca -0.32 0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 1.39 0.00 0.99 2.96 -1.10 -4.74 118.68 118.19 2doa s LEU 40 Ca 0.00 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 2doa s LEU 40 Cb 0.00 -0.71 0.02 0.00 0.50 0.00 0.00 46.19 46.00 2doa s LEU 40 CO 0.00 -0.04 0.15 0.35 -1.32 0.00 0.00 176.35 175.50 2doa n THR 41 N 4.21 0.00 0.08 3.68 -2.24 -1.26 -4.86 114.28 113.90 2doa n THR 41 Ca -0.20 -1.75 0.04 0.00 -2.27 0.00 0.00 64.05 59.87 2doa n THR 41 Cb 0.51 0.12 0.45 0.00 -2.10 0.00 0.00 70.33 69.31 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 0.36 -0.09 -0.78 1.08 -2.01 -0.58 115.11 113.09 2doa h GLN 42 Ca -0.29 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 56.85 2doa h GLN 42 Cb 0.97 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.32 2doa h GLN 42 CO 0.48 0.30 -0.01 0.00 -0.95 0.00 0.00 178.83 178.65 2doa h ALA 43 N 1.76 0.13 -0.08 3.87 0.00 -2.00 -2.75 119.26 120.19 2doa h ALA 43 Ca 0.09 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2doa h ALA 43 Cb 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2doa h ALA 43 CO -0.01 -0.16 -0.35 -0.44 0.00 0.00 0.00 179.25 178.29 2doa h ASP 44 N -0.13 0.15 0.63 0.00 3.32 -1.87 -1.85 116.42 116.67 2doa h ASP 44 Ca 0.03 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 2doa h ASP 44 Cb 0.40 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 39.91 2doa h ASP 44 CO 0.01 0.50 -0.30 0.11 -1.72 0.00 0.00 179.24 177.84 2doa h LYS 45 N 0.13 -0.81 -0.93 3.56 1.57 -1.01 0.48 116.57 119.56 2doa h LYS 45 Ca 0.02 0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2doa h LYS 45 Cb 0.69 0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.14 2doa h LYS 45 CO 0.05 -0.54 0.61 -0.44 -0.57 0.00 0.00 179.45 178.56 2doa h ASP 46 N -0.84 1.06 0.07 0.86 5.19 -1.53 -1.86 116.42 119.36 2doa h ASP 46 Ca -0.09 -0.03 -0.08 0.00 -0.62 0.00 0.00 57.03 56.22 2doa h ASP 46 Cb 0.65 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.88 2doa h ASP 46 CO 0.14 0.77 -0.25 0.00 -3.12 0.00 0.00 179.24 176.78 2doa h ALA 47 N 1.42 1.26 -0.41 3.45 0.00 -1.27 -2.70 119.26 121.02 2doa h ALA 47 Ca 0.34 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2doa h ALA 47 Cb -0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2doa h ALA 47 CO -0.07 0.49 0.15 1.25 0.00 0.00 0.00 179.25 181.07 2doa h LEU 48 N 0.28 0.53 0.53 0.00 5.85 0.82 -1.03 115.31 122.29 2doa h LEU 48 Ca 0.04 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2doa h LEU 48 Cb 0.60 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2doa h LEU 48 CO 0.04 0.49 -0.26 -0.78 -0.34 0.00 0.00 178.44 177.59 2doa h ASP 49 N 0.58 -0.63 0.57 1.25 3.58 -1.33 0.77 116.42 121.20 2doa h ASP 49 Ca 0.14 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.56 2doa h ASP 49 Cb 0.14 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 2doa h ASP 49 CO -0.01 -0.44 -0.28 1.23 -2.88 0.00 0.00 179.24 176.86 2doa h GLY 50 N -0.72 0.00 0.59 -0.78 0.00 -1.57 -2.88 103.07 97.71 2doa h GLY 50 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 2doa h GLY 50 CO 0.11 0.00 -0.19 -2.00 0.00 0.00 0.00 176.54 174.46 2doa h LEU 51 N 0.00 0.27 -0.23 3.11 5.85 -0.90 -3.00 115.31 120.40 2doa h LEU 51 Ca -0.00 -0.62 0.02 0.00 0.84 0.00 0.00 57.88 58.12 2doa h LEU 51 Cb 0.64 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 2doa h LEU 51 CO 0.04 0.84 0.07 -0.07 -0.34 0.00 0.00 178.44 178.97 2doa h LEU 52 N -0.29 0.07 -2.53 2.25 3.38 -0.79 0.76 115.31 118.16 2doa h LEU 52 Ca -0.01 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.00 2doa h LEU 52 Cb 0.81 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2doa h LEU 52 CO 0.04 0.07 0.04 1.56 0.09 0.00 0.00 178.44 180.25 2doa h GLN 53 N 0.17 0.00 0.00 1.13 1.08 -1.59 0.84 115.11 116.75 2doa h GLN 53 Ca 0.10 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.11 2doa h GLN 53 Cb 0.07 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.47 2doa h GLN 53 CO -0.11 0.00 -1.22 0.94 -0.95 0.00 0.00 178.83 177.49 2doa n GLN 54 N -3.65 0.53 -1.08 1.46 0.00 -0.45 -4.38 117.38 109.81 2doa n GLN 54 Ca -0.02 0.49 -0.22 0.00 -0.00 0.00 0.00 57.00 57.25 2doa n GLN 54 Cb 0.13 -1.67 0.14 0.00 0.00 0.00 0.00 30.24 28.83 2doa n GLN 54 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 2doa n VAL 55 N -4.46 2.99 -3.62 1.69 0.24 0.25 -4.91 118.33 110.52 2doa n VAL 55 Ca -0.27 -1.83 -0.04 0.00 -2.04 0.00 0.00 64.34 60.16 2doa n VAL 55 Cb 0.58 -0.67 -0.04 0.00 -1.47 0.00 0.00 33.84 32.25 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 -2.92 -2.08 -0.46 2.33 0.00 0.29 -4.43 121.76 114.50 2doa s ALA 56 Ca 0.50 1.77 -0.08 0.00 0.00 0.00 0.00 51.96 54.15 2doa s ALA 56 Cb 0.42 -0.95 0.12 0.00 0.00 0.00 0.00 23.12 22.70 2doa s ALA 56 CO 0.07 -0.36 0.32 -0.80 0.00 0.00 0.00 175.76 175.00 2doa s ASN 57 N -1.38 5.62 0.52 0.00 0.01 0.74 -3.95 114.94 116.50 2doa s ASN 57 Ca 0.07 -1.96 -0.23 0.00 -0.71 0.00 0.00 52.86 50.04 2doa s ASN 57 Cb -0.01 -1.98 -0.06 0.00 0.41 0.00 0.00 41.25 39.62 2doa s ASN 57 CO -0.05 -0.66 1.34 -0.32 -1.51 0.00 0.00 177.10 175.90 2doa s MET 58 N 1.29 3.33 0.20 -0.60 -2.45 -1.26 -3.02 119.30 116.80 2doa s MET 58 Ca 0.06 2.20 -0.13 0.00 -1.25 0.00 0.00 55.69 56.57 2doa s MET 58 Cb -0.25 -2.35 -0.07 0.00 1.25 0.00 0.00 34.83 33.40 2doa s MET 58 CO -0.02 -1.03 0.59 0.45 1.05 0.00 0.00 175.02 176.07 2doa s SER 59 N -0.93 6.77 -0.56 1.11 0.15 -0.75 -4.95 113.70 114.55 2doa s SER 59 Ca 0.68 1.08 -0.02 0.00 0.70 0.00 0.00 55.95 58.40 2doa s SER 59 Cb -0.39 -2.29 0.37 0.00 -1.71 0.00 0.00 66.02 62.00 2doa s SER 59 CO 0.47 -0.00 2.03 0.00 1.20 0.00 0.00 173.24 176.95 2doa n ALA 60 N 0.34 5.95 -0.13 5.45 0.00 -1.26 -3.76 120.51 127.10 2doa n ALA 60 Ca -0.02 -2.89 0.00 0.00 0.00 0.00 0.00 53.44 50.53 2doa n ALA 60 Cb 0.52 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.51 0.00 -0.08 0.00 5.02 -1.26 -4.99 118.16 116.35 2doa n LYS 61 Ca 0.52 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.64 2doa n LYS 61 Cb 0.63 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.51 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 -2.31 1.69 0.00 4.39 -0.08 -1.26 -5.02 116.55 113.96 2doa n ASP 62 Ca 0.00 0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 2doa n ASP 62 Cb 0.00 -0.33 0.00 0.00 2.34 0.00 0.00 41.12 43.13 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 2.08 1.97 3.66 0.27 0.00 -1.25 -4.99 105.19 106.94 2doa n GLY 63 Ca -0.39 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 4.87 -0.36 2.61 2.01 -1.26 -3.03 115.64 118.48 2doa s THR 64 Ca 0.00 1.58 -0.16 0.00 0.31 0.00 0.00 61.69 63.43 2doa s THR 64 Cb 0.00 -4.12 -0.00 0.00 0.01 0.00 0.00 72.50 68.39 2doa s THR 64 CO 0.00 -0.01 0.37 0.00 -0.69 0.00 0.00 174.62 174.29 2doa s THR 66 N 2.02 4.91 0.37 0.00 -4.23 -1.17 -1.29 115.64 116.26 2doa s THR 66 Ca 0.11 -0.53 -0.25 0.00 -1.18 0.00 0.00 61.69 59.84 2doa s THR 66 Cb -0.17 -3.35 -0.09 0.00 1.34 0.00 0.00 72.50 70.23 2doa s THR 66 CO 0.12 0.19 1.07 -0.22 -0.54 0.00 0.00 174.62 175.24 2doa s LEU 67 N -2.27 4.25 1.05 4.79 2.96 -1.26 -0.18 118.68 128.01 2doa s LEU 67 Ca 0.30 2.12 -0.14 0.00 -0.22 0.00 0.00 54.13 56.19 2doa s LEU 67 Cb -0.12 -4.03 0.21 0.00 0.50 0.00 0.00 46.19 42.75 2doa s LEU 67 CO 0.22 -0.42 1.10 -1.10 -1.32 0.00 0.00 176.35 174.83 2doa s GLN 68 N -2.22 0.02 0.00 1.98 -0.21 -1.26 -4.87 119.66 113.11 2doa s GLN 68 Ca 0.54 0.36 -0.16 0.00 0.02 0.00 0.00 55.36 56.13 2doa s GLN 68 Cb -0.25 -1.70 -0.09 0.00 1.00 0.00 0.00 33.01 31.97 2doa s GLN 68 CO 0.32 -2.97 0.88 -0.44 -2.12 0.00 0.00 175.29 170.96 2doa h ASP 69 N -2.06 -0.48 -0.07 5.90 5.19 -1.99 -3.16 116.42 119.75 2doa h ASP 69 Ca -0.53 0.02 0.02 0.00 -0.62 0.00 0.00 57.03 55.92 2doa h ASP 69 Cb 1.33 0.12 -0.00 0.00 0.18 0.00 0.00 39.33 40.96 2doa h ASP 69 CO 0.53 -0.23 0.07 0.00 -3.12 0.00 0.00 179.24 176.49 2doa h MET 71 N 0.00 0.45 -0.16 0.00 2.86 -1.92 -0.17 114.93 115.99 2doa h MET 71 Ca 0.03 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 2doa h MET 71 Cb 0.17 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2doa h MET 71 CO -0.00 0.30 0.12 1.88 1.06 0.00 0.00 176.91 180.27 2doa h TYR 72 N 0.47 0.00 -0.03 -0.22 0.05 -1.28 -0.41 116.97 115.55 2doa h TYR 72 Ca 0.27 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 59.01 2doa h TYR 72 Cb 0.47 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 2doa h TYR 72 CO -0.00 0.00 -0.19 0.87 -1.05 0.00 0.00 178.16 177.79 2doa h LYS 73 N 0.00 0.05 -0.00 4.88 1.79 -1.18 -2.17 116.57 119.94 2doa h LYS 73 Ca 0.08 -0.01 -0.13 0.00 -2.18 0.00 0.00 60.65 58.40 2doa h LYS 73 Cb 0.31 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 2doa h LYS 73 CO -0.00 0.25 -0.63 -0.44 -1.08 0.00 0.00 179.45 177.55 2doa h ASP 74 N 0.05 0.01 -2.91 0.86 3.32 -1.16 -3.44 116.42 113.15 2doa h ASP 74 Ca 0.01 -0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 2doa h ASP 74 Cb 0.37 -0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.99 2doa h ASP 74 CO 0.03 0.63 0.92 0.52 -1.72 0.00 0.00 179.24 179.62 2doa n VAL 75 N -3.79 0.51 -1.91 -1.35 0.31 -0.82 -4.99 118.33 106.29 2doa n VAL 75 Ca -0.01 -0.13 -0.30 0.00 -0.01 0.00 0.00 64.34 63.89 2doa n VAL 75 Cb 0.62 -1.92 0.20 0.00 -0.91 0.00 0.00 33.84 31.84 2doa n VAL 75 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2doa s GLN 76 N 0.31 0.44 -0.04 5.55 -0.21 -1.26 -5.03 119.66 119.42 2doa s GLN 76 Ca 0.70 -0.45 0.09 0.00 0.02 0.00 0.00 55.36 55.72 2doa s GLN 76 Cb -0.52 -1.83 -0.14 0.00 1.00 0.00 0.00 33.01 31.52 2doa s GLN 76 CO 0.41 -2.54 0.15 1.63 -2.12 0.00 0.00 175.29 172.81 2doa n LYS 77 N -3.85 1.13 -1.67 2.91 4.76 -1.26 -4.60 118.16 115.58 2doa n LYS 77 Ca 0.16 -0.06 -0.31 0.00 -2.87 0.00 0.00 58.31 55.23 2doa n LYS 77 Cb 0.59 -1.24 0.05 0.00 -1.84 0.00 0.00 35.03 32.60 2doa n LYS 77 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2doa n ASP 78 N -2.03 6.55 -4.66 4.39 2.03 -1.26 -5.02 116.55 116.55 2doa n ASP 78 Ca -0.07 -3.78 -0.42 0.00 0.52 0.00 0.00 54.79 51.05 2doa n ASP 78 Cb 0.46 -0.73 -0.03 0.00 -0.72 0.00 0.00 41.12 40.11 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 -3.75 1.52 0.56 -0.67 -0.11 -1.26 -4.85 118.94 110.38 2doa s TRP 79 Ca 0.58 -0.20 0.30 0.00 1.22 0.00 0.00 56.10 58.00 2doa s TRP 79 Cb 0.46 -4.12 1.46 0.00 -1.50 0.00 0.00 33.47 29.77 2doa s TRP 79 CO -0.02 -4.92 1.89 -1.35 -4.62 0.00 0.00 176.95 167.93 2doa h PRO 80 N 10.37 0.00 -0.11 5.86 0.11 -1.96 -1.62 132.00 144.65 2doa h PRO 80 Ca -0.46 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.66 2doa h PRO 80 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2doa h PRO 80 CO 0.95 0.00 0.05 0.78 -0.21 0.00 0.00 178.00 179.56 2doa h GLY 81 N 0.00 0.14 -0.97 -0.55 0.00 -1.89 -3.44 103.07 96.36 2doa h GLY 81 Ca 0.31 -0.03 -0.48 0.00 0.00 0.00 0.00 47.33 47.13 2doa h GLY 81 CO -0.00 0.03 0.30 -0.19 0.00 0.00 0.00 176.54 176.68 2doa s TYR 82 N -6.18 2.60 0.00 5.60 2.02 -0.61 -4.98 117.35 115.79 2doa s TYR 82 Ca -0.13 1.09 0.00 0.00 -0.37 0.00 0.00 57.07 57.65 2doa s TYR 82 Cb 0.08 -3.20 0.00 0.00 -0.40 0.00 0.00 41.96 38.43 2doa s TYR 82 CO 0.68 -2.12 0.00 0.45 -1.57 0.00 0.00 175.55 172.99 2doa n SER 83 N -3.65 0.00 0.21 2.29 2.88 -1.26 -4.92 113.62 109.16 2doa n SER 83 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2doa n SER 83 Cb 0.57 0.31 0.00 0.00 -0.75 0.00 0.00 64.21 64.34 2doa n SER 83 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2doa n GLU 84 N -2.47 0.00 -0.14 -1.46 4.71 -1.26 -4.83 120.64 115.20 2doa n GLU 84 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.06 2doa n GLU 84 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.42 2doa n GLU 84 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 2doa h GLY 85 N 0.00 0.67 1.54 0.62 0.00 -2.00 -2.26 103.07 101.65 2doa h GLY 85 Ca 0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 46.79 2doa h GLY 85 CO 0.00 0.38 -0.46 -0.55 0.00 0.00 0.00 176.54 175.91 2doa h ASP 86 N 0.50 0.53 0.27 0.19 3.32 -1.95 -2.20 116.42 117.09 2doa h ASP 86 Ca 0.13 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 2doa h ASP 86 Cb 0.27 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2doa h ASP 86 CO -0.00 0.92 -0.13 1.56 -1.72 0.00 0.00 179.24 179.87 2doa h GLN 87 N 0.40 -0.35 -0.66 3.56 4.20 -1.84 0.45 115.11 120.86 2doa h GLN 87 Ca 0.02 0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 2doa h GLN 87 Cb 0.96 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.80 2doa h GLN 87 CO 0.09 -0.23 0.18 1.96 -0.67 0.00 0.00 178.83 180.16 2doa h GLN 88 N -0.37 1.03 -0.17 1.46 4.20 -1.43 -1.83 115.11 118.00 2doa h GLN 88 Ca -0.04 -0.22 -0.12 0.00 0.06 0.00 0.00 58.65 58.34 2doa h GLN 88 Cb 0.28 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 2doa h GLN 88 CO 0.06 0.89 -0.40 1.25 -0.67 0.00 0.00 178.83 179.96 2doa h LEU 89 N 0.98 0.40 -0.81 1.46 5.85 -1.15 -2.89 115.31 119.15 2doa h LEU 89 Ca 0.21 -0.17 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 2doa h LEU 89 Cb 0.31 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2doa h LEU 89 CO -0.00 0.77 -0.53 0.25 -0.34 0.00 0.00 178.44 178.59 2doa h LEU 90 N 0.32 0.20 0.53 2.25 5.85 0.29 -2.92 115.31 121.83 2doa h LEU 90 Ca 0.03 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 2doa h LEU 90 Cb 0.85 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.83 2doa h LEU 90 CO 0.07 0.69 -0.26 0.11 -0.34 0.00 0.00 178.44 178.71 2doa h LYS 91 N 0.14 -0.69 -0.90 1.25 1.79 -1.13 -1.59 116.57 115.44 2doa h LYS 91 Ca 0.00 0.05 0.08 0.00 -2.18 0.00 0.00 60.65 58.60 2doa h LYS 91 Cb 0.98 0.16 -0.07 0.00 -1.58 0.00 0.00 32.23 31.72 2doa h LYS 91 CO 0.08 -0.43 0.55 0.07 -1.08 0.00 0.00 179.45 178.64 2doa h ARG 92 N -0.79 0.95 -0.59 3.15 0.11 -1.58 -1.41 114.38 114.22 2doa h ARG 92 Ca -0.07 -0.06 0.01 0.00 0.10 0.00 0.00 59.98 59.95 2doa h ARG 92 Cb 0.58 -0.21 -0.03 0.00 1.11 0.00 0.00 29.97 31.42 2doa h ARG 92 CO 0.12 0.63 0.39 0.28 0.10 0.00 0.00 179.97 181.49 2doa h VAL 93 N 0.98 1.15 -0.71 0.08 2.07 -1.36 0.27 116.25 118.73 2doa h VAL 93 Ca 0.41 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.58 2doa h VAL 93 Cb 0.25 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 2doa h VAL 93 CO -0.20 0.15 0.21 -0.07 0.02 0.00 0.00 177.57 177.67 2doa h LEU 94 N 0.80 1.05 -0.56 2.57 3.38 -0.52 -0.70 115.31 121.32 2doa h LEU 94 Ca 0.22 -0.22 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 2doa h LEU 94 Cb -0.09 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.38 2doa h LEU 94 CO -0.05 0.99 -0.61 0.58 0.09 0.00 0.00 178.44 179.44 2doa h VAL 95 N 1.05 1.36 -0.08 1.22 2.07 -0.87 0.26 116.25 121.26 2doa h VAL 95 Ca 0.23 -1.94 -0.14 0.00 0.82 0.00 0.00 66.70 65.66 2doa h VAL 95 Cb 0.33 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 2doa h VAL 95 CO -0.00 0.59 -0.58 -0.09 0.02 0.00 0.00 177.57 177.50 2doa h ARG 96 N 0.29 0.26 0.00 1.57 9.65 -0.22 -3.36 114.38 122.57 2doa h ARG 96 Ca -0.01 -0.17 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 2doa h ARG 96 Cb 1.14 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.74 2doa h ARG 96 CO 0.10 0.76 -0.32 0.87 2.80 0.00 0.00 179.97 184.18 2doa h LYS 97 N 0.19 0.00 -5.58 0.20 1.79 -1.05 -3.42 116.57 108.70 2doa h LYS 97 Ca -0.00 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.16 2doa h LYS 97 Cb 1.07 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.68 2doa h LYS 97 CO 0.09 0.00 0.88 -0.51 -1.08 0.00 0.00 179.45 178.83 2doa s LEU 98 N -8.28 3.09 -0.41 2.94 1.43 0.90 -4.73 118.68 113.62 2doa s LEU 98 Ca -0.09 -1.16 0.09 0.00 -1.03 0.00 0.00 54.13 51.94 2doa s LEU 98 Cb 0.01 -2.57 0.29 0.00 0.03 0.00 0.00 46.19 43.94 2doa s LEU 98 CO 0.14 -2.95 0.62 -1.20 0.23 0.00 0.00 176.35 173.19 2doa n SER 99 N 14.32 0.85 -1.90 2.29 7.64 -1.26 -4.71 113.62 130.85 2doa n SER 99 Ca 0.43 -2.90 0.00 0.00 1.01 0.00 0.00 58.87 57.41 2doa n SER 99 Cb 0.47 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 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 0.93 1.21 3.52 0.23 0.00 -1.26 -4.87 105.19 104.95 2doa n GLY 100 Ca 0.23 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.26 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 0.64 0.06 1.61 -0.02 -1.26 -4.16 135.00 131.87 2doa n PRO 101 Ca 0.00 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 2doa n PRO 101 Cb 0.00 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 30.87 2doa n PRO 101 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2doa n SER 102 N 13.32 -1.03 -4.01 2.55 7.64 -1.26 -5.06 113.62 125.78 2doa n SER 102 Ca 0.49 0.27 -0.32 0.00 1.01 0.00 0.00 58.87 60.31 2doa n SER 102 Cb 0.32 1.23 -0.12 0.00 -1.01 0.00 0.00 64.21 64.63 2doa n SER 102 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2doa s SER 103 N -1.33 4.73 0.00 6.43 1.04 -1.26 -5.28 113.70 118.03 2doa s SER 103 Ca 0.00 -3.03 0.00 0.00 0.48 0.00 0.00 55.95 53.40 2doa s SER 103 Cb 0.00 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 64.39 2doa s SER 103 CO 0.00 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.56