#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhr s SER 2 N 0.00 4.86 -0.52 1.61 1.04 -1.26 -5.10 113.70 114.34 1uhr s SER 2 Ca 0.00 -0.76 0.04 0.00 0.48 0.00 0.00 55.95 55.71 1uhr s SER 2 Cb 0.00 -0.70 0.15 0.00 0.10 0.00 0.00 66.02 65.57 1uhr s SER 2 CO 0.00 -0.44 0.34 -0.55 0.98 0.00 0.00 173.24 173.57 1uhr s SER 3 N -3.96 3.65 -1.27 7.02 0.15 -1.26 -5.02 113.70 113.01 1uhr s SER 3 Ca 0.42 -3.13 -0.17 0.00 0.70 0.00 0.00 55.95 53.77 1uhr s SER 3 Cb -0.02 -1.16 -0.01 0.00 -1.71 0.00 0.00 66.02 63.11 1uhr s SER 3 CO 0.25 -0.19 2.09 0.61 1.20 0.00 0.00 173.24 177.20 1uhr n GLY 4 N 2.88 3.65 3.38 9.45 0.00 -1.26 -4.88 105.19 118.40 1uhr n GLY 4 Ca 0.16 -1.47 -0.21 0.00 0.00 0.00 0.00 46.02 44.50 1uhr n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uhr s SER 5 N 3.87 2.87 -0.55 1.61 1.04 -1.26 -5.10 113.70 116.18 1uhr s SER 5 Ca 0.51 -0.99 0.04 0.00 0.48 0.00 0.00 55.95 55.99 1uhr s SER 5 Cb 0.12 -0.18 0.17 0.00 0.10 0.00 0.00 66.02 66.23 1uhr s SER 5 CO -0.01 -0.08 0.41 -0.44 0.98 0.00 0.00 173.24 174.09 1uhr s SER 6 N -3.23 3.19 0.00 7.02 0.01 -1.26 -4.90 113.70 114.52 1uhr s SER 6 Ca 0.23 -3.40 0.00 0.00 1.31 0.00 0.00 55.95 54.09 1uhr s SER 6 Cb -0.03 -1.04 0.00 0.00 0.21 0.00 0.00 66.02 65.16 1uhr s SER 6 CO 0.09 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.21 1uhr n GLY 7 N 2.49 -1.88 3.86 3.44 0.00 -1.26 -5.14 105.19 106.69 1uhr n GLY 7 Ca 0.24 0.55 -0.34 0.00 0.00 0.00 0.00 46.02 46.47 1uhr n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uhr s GLN 8 N -0.09 3.32 0.79 1.61 -0.21 -1.26 -5.10 119.66 118.73 1uhr s GLN 8 Ca 0.00 -0.33 -0.11 0.00 0.02 0.00 0.00 55.36 54.94 1uhr s GLN 8 Cb 0.00 -3.04 0.07 0.00 1.00 0.00 0.00 33.01 31.04 1uhr s GLN 8 CO 0.00 0.69 1.10 -1.25 -2.12 0.00 0.00 175.29 173.71 1uhr s PRO 9 N -1.65 2.11 0.35 2.91 0.04 -1.26 -5.02 135.00 132.49 1uhr s PRO 9 Ca 0.23 0.65 -0.26 0.00 0.04 0.00 0.00 61.00 61.66 1uhr s PRO 9 Cb -0.12 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 1uhr s PRO 9 CO 0.14 -1.60 1.06 -1.25 0.04 0.00 0.00 177.00 175.39 1uhr s PRO 10 N -5.15 4.34 -0.25 0.56 0.04 -1.26 -5.04 135.00 128.24 1uhr s PRO 10 Ca 0.61 1.61 -0.02 0.00 0.04 0.00 0.00 61.00 63.24 1uhr s PRO 10 Cb -0.14 -2.78 0.13 0.00 0.04 0.00 0.00 34.50 31.74 1uhr s PRO 10 CO 0.54 -0.00 0.32 -0.65 0.04 0.00 0.00 177.00 177.25 1uhr s GLN 11 N -2.10 0.30 0.03 4.56 -0.21 -1.26 -3.62 119.66 117.37 1uhr s GLN 11 Ca 0.53 0.24 0.01 0.00 0.02 0.00 0.00 55.36 56.15 1uhr s GLN 11 Cb -0.26 -0.71 -0.04 0.00 1.00 0.00 0.00 33.01 33.00 1uhr s GLN 11 CO 0.32 -0.78 0.10 -0.06 -2.12 0.00 0.00 175.29 172.75 1uhr s PHE 12 N 2.44 3.28 0.33 0.91 0.40 0.22 -4.48 117.98 121.08 1uhr s PHE 12 Ca 0.10 0.17 -0.25 0.00 -0.60 0.00 0.00 56.93 56.34 1uhr s PHE 12 Cb -0.15 -1.70 -0.10 0.00 0.51 0.00 0.00 43.02 41.58 1uhr s PHE 12 CO -0.20 0.55 0.94 0.21 0.70 0.00 0.00 175.22 177.41 1uhr s LYS 13 N -2.06 4.54 -0.07 0.44 2.20 0.45 -2.07 119.74 123.17 1uhr s LYS 13 Ca 0.27 1.30 -0.11 0.00 -0.36 0.00 0.00 55.97 57.06 1uhr s LYS 13 Cb -0.12 -2.73 -0.05 0.00 -1.51 0.00 0.00 37.83 33.42 1uhr s LYS 13 CO 0.18 0.25 0.28 -0.51 -0.36 0.00 0.00 175.35 175.19 1uhr s LEU 14 N -2.17 4.41 1.04 5.43 1.43 0.50 -0.91 118.68 128.41 1uhr s LEU 14 Ca 0.51 0.70 -0.15 0.00 -1.03 0.00 0.00 54.13 54.17 1uhr s LEU 14 Cb -0.18 -2.34 0.10 0.00 0.03 0.00 0.00 46.19 43.81 1uhr s LEU 14 CO 0.23 0.34 0.38 -0.67 0.23 0.00 0.00 176.35 176.85 1uhr n ASP 15 N 2.07 -1.96 0.11 2.29 2.03 -0.82 -4.40 116.55 115.88 1uhr n ASP 15 Ca -0.16 0.10 0.12 0.00 0.52 0.00 0.00 54.79 55.37 1uhr n ASP 15 Cb 0.53 -1.14 0.45 0.00 -0.72 0.00 0.00 41.12 40.25 1uhr n ASP 15 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1uhr n PRO 16 N -2.46 0.21 -0.06 -0.67 -0.04 -1.26 0.13 135.00 130.85 1uhr n PRO 16 Ca 0.04 0.30 -0.06 0.00 -0.04 0.00 0.00 63.50 63.75 1uhr n PRO 16 Cb 0.57 -1.81 -0.15 0.00 -0.04 0.00 0.00 33.50 32.06 1uhr n PRO 16 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1uhr n ARG 17 N -2.20 0.67 -0.08 0.54 1.74 -1.26 -4.14 116.66 111.94 1uhr n ARG 17 Ca 0.04 0.03 -0.23 0.00 -0.77 0.00 0.00 57.85 56.93 1uhr n ARG 17 Cb 0.33 -1.59 -0.12 0.00 -1.02 0.00 0.00 32.46 30.06 1uhr n ARG 17 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1uhr n LEU 18 N -2.74 2.23 -0.30 0.55 7.94 -1.14 -2.88 117.00 120.66 1uhr n LEU 18 Ca -0.25 0.29 0.34 0.00 -1.11 0.00 0.00 56.01 55.29 1uhr n LEU 18 Cb 1.04 -0.99 0.74 0.00 0.53 0.00 0.00 43.42 44.74 1uhr n LEU 18 CO 0.44 0.57 1.32 0.00 -1.11 0.00 0.00 177.39 178.60 1uhr h ALA 19 N -0.34 3.07 0.00 1.96 0.00 0.90 1.55 119.26 126.41 1uhr h ALA 19 Ca -0.44 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.24 1uhr h ALA 19 Cb 1.64 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.48 1uhr h ALA 19 CO -0.13 -1.45 -1.53 2.89 0.00 0.00 0.00 179.25 179.03 1uhr n ARG 20 N -4.11 0.63 0.30 0.00 1.85 -1.26 -1.11 116.66 112.97 1uhr n ARG 20 Ca 0.25 0.19 -0.14 0.00 -1.00 0.00 0.00 57.85 57.15 1uhr n ARG 20 Cb 1.23 -1.77 -0.07 0.00 -1.05 0.00 0.00 32.46 30.80 1uhr n ARG 20 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1uhr h LEU 21 N 0.00 -0.67 0.23 2.89 5.85 0.22 -3.33 115.31 120.50 1uhr h LEU 21 Ca -0.19 -0.02 -0.34 0.00 0.84 0.00 0.00 57.88 58.17 1uhr h LEU 21 Cb 1.63 0.17 0.03 0.00 0.37 0.00 0.00 40.66 42.86 1uhr h LEU 21 CO 0.04 -0.29 -1.59 -0.07 -0.34 0.00 0.00 178.44 176.19 1uhr h LEU 22 N -1.13 0.77 0.00 2.25 3.38 -0.96 -3.48 115.31 116.13 1uhr h LEU 22 Ca -0.08 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 56.96 1uhr h LEU 22 Cb 0.65 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1uhr h LEU 22 CO 0.13 1.75 0.00 0.61 0.09 0.00 0.00 178.44 181.02 1uhr n GLY 23 N 1.78 1.15 3.54 0.83 0.00 -0.27 -5.08 105.19 107.13 1uhr n GLY 23 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1uhr n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uhr s ILE 24 N -2.00 4.25 -0.05 -0.61 1.01 -0.90 -4.93 121.20 117.97 1uhr s ILE 24 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 60.65 60.40 1uhr s ILE 24 Cb 0.00 -2.90 -0.01 0.00 0.01 0.00 0.00 42.46 39.56 1uhr s ILE 24 CO 0.00 0.46 -0.05 1.12 0.00 0.00 0.00 174.94 176.47 1uhr h HIS 25 N 6.91 0.00 -3.25 3.97 2.07 -1.91 -3.36 115.15 119.57 1uhr h HIS 25 Ca -0.34 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 56.69 1uhr h HIS 25 Cb 1.18 0.00 -0.38 0.00 2.57 0.00 0.00 27.41 30.78 1uhr h HIS 25 CO 0.56 0.00 -0.78 0.99 -3.07 0.00 0.00 177.93 175.63 1uhr s THR 26 N -1.43 0.62 0.17 6.12 2.01 -1.26 0.19 115.64 122.05 1uhr s THR 26 Ca -0.04 -0.20 0.01 0.00 0.31 0.00 0.00 61.69 61.77 1uhr s THR 26 Cb 0.01 -0.83 -0.00 0.00 0.01 0.00 0.00 72.50 71.68 1uhr s THR 26 CO 0.06 0.16 0.20 0.00 -0.69 0.00 0.00 174.62 174.35 1uhr n GLN 27 N 5.05 0.28 -1.09 4.92 3.00 -0.88 -4.91 117.38 123.75 1uhr n GLN 27 Ca -0.09 -1.47 -0.16 0.00 -0.01 0.00 0.00 57.00 55.27 1uhr n GLN 27 Cb 0.49 1.32 0.11 0.00 0.00 0.00 0.00 30.24 32.16 1uhr n GLN 27 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1uhr n THR 28 N -0.29 0.00 0.01 5.09 -2.24 -1.24 0.70 114.28 116.32 1uhr n THR 28 Ca 0.02 -0.56 -0.18 0.00 -2.27 0.00 0.00 64.05 61.06 1uhr n THR 28 Cb 0.29 -1.69 -0.13 0.00 -2.10 0.00 0.00 70.33 66.70 1uhr n THR 28 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1uhr h ARG 29 N 0.00 0.27 0.00 -0.78 9.65 -1.96 -2.29 114.38 119.27 1uhr h ARG 29 Ca -0.23 -0.38 0.00 0.00 -1.10 0.00 0.00 59.98 58.27 1uhr h ARG 29 Cb 0.65 0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.36 1uhr h ARG 29 CO 0.17 1.13 0.00 -0.35 2.80 0.00 0.00 179.97 183.72 1uhr n PRO 30 N -4.26 0.31 -0.04 0.20 -0.04 -1.26 0.07 135.00 129.97 1uhr n PRO 30 Ca -0.12 0.07 0.01 0.00 -0.04 0.00 0.00 63.50 63.43 1uhr n PRO 30 Cb 0.70 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.50 1uhr n PRO 30 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1uhr n VAL 31 N -1.29 0.68 -0.11 0.52 0.31 -1.21 -4.00 118.33 113.22 1uhr n VAL 31 Ca 0.11 -0.67 -0.20 0.00 -0.01 0.00 0.00 64.34 63.57 1uhr n VAL 31 Cb 0.18 -0.25 -0.08 0.00 -0.91 0.00 0.00 33.84 32.78 1uhr n VAL 31 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1uhr n ILE 32 N -2.51 1.51 -0.31 2.52 5.41 -0.86 -3.18 119.36 121.93 1uhr n ILE 32 Ca -0.17 -0.08 0.16 0.00 1.00 0.00 0.00 62.75 63.67 1uhr n ILE 32 Cb 0.84 -2.09 0.35 0.00 -0.71 0.00 0.00 39.64 38.03 1uhr n ILE 32 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 176.55 176.26 1uhr h ILE 33 N -1.00 0.35 0.52 1.39 2.10 -0.60 0.13 117.51 120.39 1uhr h ILE 33 Ca -0.36 -0.10 -0.03 0.00 1.08 0.00 0.00 64.86 65.45 1uhr h ILE 33 Cb 1.24 0.03 0.01 0.00 -1.09 0.00 0.00 36.82 37.00 1uhr h ILE 33 CO -0.22 0.05 -0.25 1.56 -1.08 0.00 0.00 178.15 178.21 1uhr h GLN 34 N 0.29 -0.67 -1.60 2.19 1.08 -1.75 0.92 115.11 115.57 1uhr h GLN 34 Ca 0.61 0.05 0.47 0.00 -1.45 0.00 0.00 58.65 58.32 1uhr h GLN 34 Cb 1.26 0.15 -0.06 0.00 -0.05 0.00 0.00 27.48 28.78 1uhr h GLN 34 CO -0.61 -0.45 1.27 0.00 -0.95 0.00 0.00 178.83 178.09 1uhr h ALA 35 N -1.30 3.51 0.02 3.87 0.00 -1.20 1.48 119.26 125.66 1uhr h ALA 35 Ca -0.07 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1uhr h ALA 35 Cb 0.53 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1uhr h ALA 35 CO 0.12 -2.10 -0.52 1.25 0.00 0.00 0.00 179.25 178.00 1uhr h LEU 36 N 0.00 0.08 -0.24 0.00 5.85 -0.61 -3.27 115.31 117.13 1uhr h LEU 36 Ca 0.76 -0.86 0.06 0.00 0.84 0.00 0.00 57.88 58.68 1uhr h LEU 36 Cb 3.30 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 44.24 1uhr h LEU 36 CO -0.01 1.21 -0.17 -0.50 -0.34 0.00 0.00 178.44 178.63 1uhr h TRP 37 N -0.88 -0.44 0.00 1.25 4.06 0.43 0.73 115.95 121.11 1uhr h TRP 37 Ca -0.13 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.85 1uhr h TRP 37 Cb 1.20 0.23 0.00 0.00 -1.00 0.00 0.00 29.16 29.60 1uhr h TRP 37 CO 0.21 -0.25 0.39 0.37 -3.56 0.00 0.00 178.44 175.61 1uhr h GLN 38 N -0.17 0.00 0.07 0.49 4.15 -0.16 0.18 115.11 119.67 1uhr h GLN 38 Ca 0.13 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.46 1uhr h GLN 38 Cb 0.37 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.07 1uhr h GLN 38 CO -0.34 0.00 -0.42 -0.92 -1.93 0.00 0.00 178.83 175.22 1uhr h TYR 39 N 0.00 0.26 0.00 3.99 5.03 0.41 0.33 116.97 127.00 1uhr h TYR 39 Ca 0.00 -0.19 -0.02 0.00 2.58 0.00 0.00 58.73 61.10 1uhr h TYR 39 Cb 0.79 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 39.05 1uhr h TYR 39 CO 0.00 1.16 -0.12 0.82 -1.32 0.00 0.00 178.16 178.70 1uhr h ILE 40 N -0.70 0.89 0.00 1.81 2.04 0.02 1.84 117.51 123.41 1uhr h ILE 40 Ca -0.08 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 1uhr h ILE 40 Cb 1.32 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 38.64 1uhr h ILE 40 CO 0.07 0.12 -0.17 0.11 0.00 0.00 0.00 178.15 178.28 1uhr h LYS 41 N 0.00 0.00 -0.83 2.37 6.56 -1.24 1.55 116.57 124.97 1uhr h LYS 41 Ca -0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.55 1uhr h LYS 41 Cb 0.24 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.86 1uhr h LYS 41 CO 0.02 0.45 0.38 1.15 -2.06 0.00 0.00 179.45 179.39 1uhr h THR 42 N -1.00 1.26 -0.19 -0.16 2.02 -0.74 -0.88 112.91 113.22 1uhr h THR 42 Ca -0.03 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1uhr h THR 42 Cb 0.53 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1uhr h THR 42 CO -0.02 0.32 0.00 1.41 0.37 0.00 0.00 175.52 177.60 1uhr n HIS 43 N -4.29 0.24 -4.10 3.16 8.25 0.63 -4.94 115.22 114.16 1uhr n HIS 43 Ca 0.08 -0.12 -0.46 0.00 -0.26 0.00 0.00 57.72 56.96 1uhr n HIS 43 Cb 0.16 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.28 1uhr n HIS 43 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1uhr n LYS 44 N 0.40 -0.24 0.00 -0.41 4.76 -0.17 -4.77 118.16 117.73 1uhr n LYS 44 Ca 0.16 0.04 0.15 0.00 -2.87 0.00 0.00 58.31 55.79 1uhr n LYS 44 Cb 0.34 -2.43 0.74 0.00 -1.84 0.00 0.00 35.03 31.84 1uhr n LYS 44 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1uhr n LEU 45 N -5.00 0.13 -4.67 -0.35 4.77 0.51 -4.86 117.00 107.53 1uhr n LEU 45 Ca -0.12 0.18 -0.51 0.00 -0.03 0.00 0.00 56.01 55.52 1uhr n LEU 45 Cb 0.56 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.36 1uhr n LEU 45 CO 0.74 0.02 1.28 1.67 -1.33 0.00 0.00 177.39 179.77 1uhr n GLN 46 N -1.16 1.67 -1.70 3.23 7.27 -1.23 0.05 117.38 125.50 1uhr n GLN 46 Ca 0.15 0.61 -0.44 0.00 0.07 0.00 0.00 57.00 57.40 1uhr n GLN 46 Cb 0.24 -2.35 -0.03 0.00 2.41 0.00 0.00 30.24 30.50 1uhr n GLN 46 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1uhr n ASP 47 N 4.91 3.60 0.04 1.69 2.03 -0.75 -4.65 116.55 123.41 1uhr n ASP 47 Ca 0.22 1.08 0.11 0.00 0.52 0.00 0.00 54.79 56.72 1uhr n ASP 47 Cb 0.22 -1.51 0.46 0.00 -0.72 0.00 0.00 41.12 39.57 1uhr n ASP 47 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1uhr n PRO 48 N 3.57 0.08 -0.08 -0.67 -0.04 -1.26 -3.48 135.00 133.12 1uhr n PRO 48 Ca 0.16 0.20 -0.11 0.00 -0.04 0.00 0.00 63.50 63.70 1uhr n PRO 48 Cb 0.32 -1.62 -0.06 0.00 -0.04 0.00 0.00 33.50 32.10 1uhr n PRO 48 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uhr h HIS 49 N 0.00 0.00 -1.08 0.54 3.86 -1.96 -3.48 115.15 113.02 1uhr h HIS 49 Ca 0.00 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.64 1uhr h HIS 49 Cb 0.44 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.84 1uhr h HIS 49 CO 0.00 0.65 -0.40 -1.21 0.86 0.00 0.00 177.93 177.83 1uhr s GLU 50 N -2.21 2.30 0.00 2.45 0.41 -1.23 -5.04 118.70 115.38 1uhr s GLU 50 Ca -0.19 -1.89 0.09 0.00 -0.41 0.00 0.00 54.97 52.57 1uhr s GLU 50 Cb 0.03 -2.07 0.03 0.00 -1.78 0.00 0.00 34.13 30.33 1uhr s GLU 50 CO 0.38 -0.35 0.67 0.54 -0.49 0.00 0.00 175.26 176.01 1uhr n ARG 51 N -1.51 1.43 -0.02 1.61 1.74 -1.26 -4.15 116.66 114.50 1uhr n ARG 51 Ca -0.02 -0.76 0.04 0.00 -0.77 0.00 0.00 57.85 56.35 1uhr n ARG 51 Cb 0.64 -1.10 -0.10 0.00 -1.02 0.00 0.00 32.46 30.88 1uhr n ARG 51 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1uhr n GLU 52 N 0.04 0.68 -2.72 5.56 0.00 -1.26 -4.97 120.64 117.96 1uhr n GLU 52 Ca 0.04 -0.10 -0.22 0.00 0.00 0.00 0.00 57.16 56.88 1uhr n GLU 52 Cb 0.21 -1.31 0.03 0.00 0.00 0.00 0.00 31.44 30.37 1uhr n GLU 52 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1uhr s PHE 53 N -2.80 3.01 -0.11 -1.84 0.40 -1.26 0.29 117.98 115.67 1uhr s PHE 53 Ca -0.05 0.13 -0.04 0.00 -0.60 0.00 0.00 56.93 56.37 1uhr s PHE 53 Cb 0.07 -2.63 0.05 0.00 0.51 0.00 0.00 43.02 41.03 1uhr s PHE 53 CO 0.53 -0.72 0.22 0.54 0.70 0.00 0.00 175.22 176.49 1uhr s VAL 54 N -2.73 -0.29 -0.55 -0.44 0.11 0.16 -1.82 120.40 114.85 1uhr s VAL 54 Ca 0.54 0.28 -0.28 0.00 -2.93 0.00 0.00 61.98 59.59 1uhr s VAL 54 Cb -0.10 -0.37 0.03 0.00 -1.53 0.00 0.00 36.38 34.40 1uhr s VAL 54 CO 0.39 0.12 1.16 -0.76 -3.33 0.00 0.00 175.10 172.68 1uhr s LEU 55 N 2.13 3.54 0.38 2.54 1.43 0.11 -3.27 118.68 125.53 1uhr s LEU 55 Ca -0.00 0.20 -0.27 0.00 -1.03 0.00 0.00 54.13 53.03 1uhr s LEU 55 Cb -0.12 -3.27 -0.11 0.00 0.03 0.00 0.00 46.19 42.72 1uhr s LEU 55 CO -0.07 -1.40 1.26 0.00 0.23 0.00 0.00 176.35 176.36 1uhr s ASP 57 N -0.43 2.33 0.49 0.00 1.01 -1.26 -4.43 116.67 114.38 1uhr s ASP 57 Ca 0.58 0.44 0.22 0.00 0.71 0.00 0.00 52.55 54.49 1uhr s ASP 57 Cb -0.55 -0.58 1.25 0.00 1.01 0.00 0.00 42.92 44.05 1uhr s ASP 57 CO 0.60 -3.23 1.95 0.07 0.21 0.00 0.00 175.17 174.77 1uhr h LYS 58 N -1.98 0.18 0.06 8.23 2.10 -1.97 1.52 116.57 124.71 1uhr h LYS 58 Ca -0.45 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1uhr h LYS 58 Cb 1.26 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1uhr h LYS 58 CO 0.38 0.12 -0.03 1.88 -2.00 0.00 0.00 179.45 179.80 1uhr h TYR 59 N 0.18 -0.07 -0.78 0.07 0.05 -1.99 -3.18 116.97 111.25 1uhr h TYR 59 Ca 0.32 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.06 1uhr h TYR 59 Cb 0.99 0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.72 1uhr h TYR 59 CO -0.00 0.53 0.35 -0.07 -1.05 0.00 0.00 178.16 177.92 1uhr h LEU 60 N -0.88 1.03 -2.38 3.88 3.38 -1.65 -0.45 115.31 118.24 1uhr h LEU 60 Ca -0.01 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1uhr h LEU 60 Cb 0.63 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1uhr h LEU 60 CO 0.01 0.89 0.15 1.56 0.09 0.00 0.00 178.44 181.15 1uhr h GLN 61 N 1.12 0.00 0.00 1.13 4.20 0.20 1.85 115.11 123.61 1uhr h GLN 61 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1uhr h GLN 61 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1uhr h GLN 61 CO -0.03 0.00 -1.33 1.04 -0.67 0.00 0.00 178.83 177.84 1uhr n GLN 62 N -2.90 0.25 -0.08 1.46 1.13 -0.24 -2.94 117.38 114.06 1uhr n GLN 62 Ca -0.02 -0.07 -0.09 0.00 -1.94 0.00 0.00 57.00 54.88 1uhr n GLN 62 Cb 0.21 -1.52 -0.03 0.00 0.11 0.00 0.00 30.24 29.01 1uhr n GLN 62 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1uhr n ILE 63 N -1.80 1.47 0.08 5.09 5.41 0.23 -4.68 119.36 125.16 1uhr n ILE 63 Ca 0.01 0.13 -0.18 0.00 1.00 0.00 0.00 62.75 63.71 1uhr n ILE 63 Cb 0.42 -2.25 -0.10 0.00 -0.71 0.00 0.00 39.64 37.00 1uhr n ILE 63 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1uhr h PHE 64 N -0.90 0.82 -1.89 1.39 0.04 0.22 -3.48 116.94 113.15 1uhr h PHE 64 Ca -0.04 -0.49 -0.25 0.00 2.80 0.00 0.00 57.97 59.99 1uhr h PHE 64 Cb 0.94 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 39.01 1uhr h PHE 64 CO -0.37 1.34 -0.32 0.39 -0.60 0.00 0.00 178.31 178.74 1uhr n GLU 65 N -3.75 -1.21 -3.86 1.51 1.02 -1.04 -4.99 120.64 108.32 1uhr n GLU 65 Ca -0.10 0.59 -0.30 0.00 -0.02 0.00 0.00 57.16 57.33 1uhr n GLU 65 Cb 0.93 -4.77 -0.15 0.00 -0.02 0.00 0.00 31.44 27.43 1uhr n GLU 65 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1uhr s SER 66 N -2.49 4.27 0.27 1.62 0.01 -1.26 -4.98 113.70 111.14 1uhr s SER 66 Ca 0.02 -2.16 -0.02 0.00 1.31 0.00 0.00 55.95 55.11 1uhr s SER 66 Cb -0.01 -1.26 0.60 0.00 0.21 0.00 0.00 66.02 65.56 1uhr s SER 66 CO 0.03 -0.36 1.64 0.06 0.41 0.00 0.00 173.24 175.02 1uhr h GLN 67 N 7.49 0.16 -3.21 12.44 3.07 -1.92 -3.34 115.11 129.82 1uhr h GLN 67 Ca -0.07 -0.01 -0.29 0.00 0.09 0.00 0.00 58.65 58.37 1uhr h GLN 67 Cb 0.99 -0.04 -0.35 0.00 0.08 0.00 0.00 27.48 28.16 1uhr h GLN 67 CO 0.52 0.11 -0.64 0.50 0.09 0.00 0.00 178.83 179.40 1uhr s ARG 68 N -6.01 0.03 0.15 0.06 3.52 -1.26 -2.95 118.95 112.50 1uhr s ARG 68 Ca -0.13 0.44 -0.01 0.00 -0.13 0.00 0.00 55.73 55.91 1uhr s ARG 68 Cb 0.24 -0.26 -0.04 0.00 -1.56 0.00 0.00 34.95 33.33 1uhr s ARG 68 CO 0.76 -0.25 0.07 0.00 -0.81 0.00 0.00 175.30 175.07 1uhr s MET 69 N 1.78 1.01 0.19 5.12 0.23 -1.20 -4.98 119.30 121.46 1uhr s MET 69 Ca -0.02 -1.50 -0.23 0.00 -1.03 0.00 0.00 55.69 52.91 1uhr s MET 69 Cb -0.12 0.18 -0.08 0.00 -1.53 0.00 0.00 34.83 33.28 1uhr s MET 69 CO -0.05 -0.27 0.77 0.15 -2.03 0.00 0.00 175.02 173.58 1uhr s LYS 70 N -4.06 4.46 0.40 3.16 1.02 -1.26 -0.66 119.74 122.80 1uhr s LYS 70 Ca 0.27 1.07 0.16 0.00 0.02 0.00 0.00 55.97 57.49 1uhr s LYS 70 Cb 0.07 -3.11 1.03 0.00 -0.52 0.00 0.00 37.83 35.30 1uhr s LYS 70 CO 0.04 0.50 1.83 0.74 -0.92 0.00 0.00 175.35 177.54 1uhr h PHE 71 N 3.97 0.64 0.00 3.18 0.04 -0.47 1.45 116.94 125.76 1uhr h PHE 71 Ca -0.47 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.32 1uhr h PHE 71 Cb 1.20 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 39.16 1uhr h PHE 71 CO 0.64 0.15 0.00 0.45 -0.60 0.00 0.00 178.31 178.95 1uhr n SER 72 N -4.56 0.21 -0.89 2.17 2.88 -1.26 -1.82 113.62 110.35 1uhr n SER 72 Ca 0.21 0.54 0.12 0.00 -1.33 0.00 0.00 58.87 58.40 1uhr n SER 72 Cb 0.70 -0.59 0.26 0.00 -0.75 0.00 0.00 64.21 63.83 1uhr n SER 72 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1uhr n GLU 73 N -1.72 2.18 0.00 -1.46 -0.58 0.50 -4.12 120.64 115.44 1uhr n GLU 73 Ca 0.04 -1.76 -0.17 0.00 -0.42 0.00 0.00 57.16 54.85 1uhr n GLU 73 Cb 0.25 -1.47 -0.12 0.00 -0.57 0.00 0.00 31.44 29.53 1uhr n GLU 73 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1uhr h ILE 74 N 3.71 1.48 0.00 -3.67 1.08 -1.09 -3.00 117.51 116.02 1uhr h ILE 74 Ca 0.00 -2.13 0.00 0.00 -0.39 0.00 0.00 64.86 62.34 1uhr h ILE 74 Cb 0.81 2.76 0.00 0.00 -3.07 0.00 0.00 36.82 37.32 1uhr h ILE 74 CO 0.00 0.60 0.00 -0.81 -0.69 0.00 0.00 178.15 177.25 1uhr n PRO 75 N -4.29 0.08 0.06 2.37 -0.04 -1.26 -1.79 135.00 130.13 1uhr n PRO 75 Ca -0.11 0.19 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 1uhr n PRO 75 Cb 0.65 -1.62 0.18 0.00 -0.04 0.00 0.00 33.50 32.67 1uhr n PRO 75 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1uhr n GLN 76 N -1.76 0.28 -0.00 0.54 6.02 -1.20 -3.74 117.38 117.51 1uhr n GLN 76 Ca 0.05 0.09 0.07 0.00 -0.01 0.00 0.00 57.00 57.20 1uhr n GLN 76 Cb 0.28 -1.68 -0.10 0.00 1.02 0.00 0.00 30.24 29.76 1uhr n GLN 76 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1uhr n ARG 77 N -2.10 1.22 -0.22 -1.09 3.00 -0.96 -4.42 116.66 112.09 1uhr n ARG 77 Ca 0.03 -0.08 -0.08 0.00 -0.01 0.00 0.00 57.85 57.71 1uhr n ARG 77 Cb 0.44 -1.27 0.05 0.00 0.00 0.00 0.00 32.46 31.67 1uhr n ARG 77 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1uhr h LEU 78 N 0.00 1.04 -1.79 0.55 3.38 -1.44 -2.37 115.31 114.68 1uhr h LEU 78 Ca 0.00 -0.27 0.48 0.00 0.09 0.00 0.00 57.88 58.17 1uhr h LEU 78 Cb 0.53 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 40.91 1uhr h LEU 78 CO 0.00 1.07 1.11 0.45 0.09 0.00 0.00 178.44 181.15 1uhr h HIS 79 N 1.00 0.18 -0.01 1.13 3.86 -1.77 1.85 115.15 121.38 1uhr h HIS 79 Ca 0.19 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.35 1uhr h HIS 79 Cb 0.50 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.93 1uhr h HIS 79 CO 0.04 -0.06 -0.19 0.00 0.86 0.00 0.00 177.93 178.57 1uhr h ALA 80 N 1.29 0.04 0.00 2.45 0.00 -1.72 -3.03 119.26 118.30 1uhr h ALA 80 Ca 0.82 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1uhr h ALA 80 Cb 3.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.83 1uhr h ALA 80 CO -0.15 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.42 1uhr n LEU 81 N -4.56 0.00 -4.40 0.00 4.77 0.47 -4.47 117.00 108.81 1uhr n LEU 81 Ca -0.09 0.48 -0.40 0.00 -0.03 0.00 0.00 56.01 55.96 1uhr n LEU 81 Cb 0.46 -0.48 -0.11 0.00 -2.33 0.00 0.00 43.42 40.96 1uhr n LEU 81 CO 0.38 -0.18 -0.17 -0.76 -1.33 0.00 0.00 177.39 175.33 1uhr s LEU 82 N -2.95 4.51 0.25 2.23 1.43 0.52 -1.95 118.68 122.72 1uhr s LEU 82 Ca 0.10 -0.83 0.10 0.00 -1.03 0.00 0.00 54.13 52.47 1uhr s LEU 82 Cb 0.12 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 1uhr s LEU 82 CO 0.33 -0.32 -0.09 -0.04 0.23 0.00 0.00 176.35 176.45 1uhr s MET 83 N 1.57 2.02 -0.21 1.70 -1.94 -0.09 -4.76 119.30 117.59 1uhr s MET 83 Ca 0.03 -1.50 -0.29 0.00 -1.71 0.00 0.00 55.69 52.21 1uhr s MET 83 Cb -0.18 -2.02 -0.01 0.00 2.01 0.00 0.00 34.83 34.62 1uhr s MET 83 CO 0.07 0.37 1.31 -1.25 -0.01 0.00 0.00 175.02 175.50 1uhr s PRO 84 N -3.42 4.09 -0.60 2.03 0.04 -1.26 0.17 135.00 136.05 1uhr s PRO 84 Ca 0.29 1.52 -0.06 0.00 0.04 0.00 0.00 61.00 62.79 1uhr s PRO 84 Cb -0.06 -3.83 -0.14 0.00 0.04 0.00 0.00 34.50 30.51 1uhr s PRO 84 CO 0.17 -0.89 2.67 -0.35 0.04 0.00 0.00 177.00 178.63 1uhr n PRO 85 N 6.94 2.14 -4.37 0.56 -0.04 -1.26 -4.82 135.00 134.14 1uhr n PRO 85 Ca 0.15 -1.26 -0.22 0.00 -0.04 0.00 0.00 63.50 62.12 1uhr n PRO 85 Cb 0.45 -2.23 -0.11 0.00 -0.04 0.00 0.00 33.50 31.57 1uhr n PRO 85 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1uhr s GLU 86 N 2.18 1.37 0.14 0.54 0.41 -1.26 -5.05 118.70 117.04 1uhr s GLU 86 Ca 0.51 -1.50 -0.04 0.00 -0.41 0.00 0.00 54.97 53.54 1uhr s GLU 86 Cb 0.19 -1.44 -0.05 0.00 -1.78 0.00 0.00 34.13 31.05 1uhr s GLU 86 CO -0.02 0.29 1.35 -1.00 -0.49 0.00 0.00 175.26 175.38 1uhr h PRO 87 N 3.03 0.42 -0.80 0.39 0.13 -1.98 -3.23 132.00 129.96 1uhr h PRO 87 Ca -0.42 -0.41 0.19 0.00 -0.87 0.00 0.00 66.00 64.49 1uhr h PRO 87 Cb 1.22 0.11 -0.13 0.00 0.13 0.00 0.00 31.00 32.32 1uhr h PRO 87 CO 0.53 1.07 0.17 1.03 -0.23 0.00 0.00 178.00 180.57 1uhr h SER 88 N 0.26 -0.06 -4.55 1.44 0.87 -1.96 -3.48 113.55 106.07 1uhr h SER 88 Ca -0.06 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1uhr h SER 88 Cb 1.48 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.70 1uhr h SER 88 CO 0.15 -0.11 0.00 0.61 -0.53 0.00 0.00 176.83 176.95 1uhr n GLY 89 N -1.38 -0.02 0.14 5.77 0.00 -1.22 -4.80 105.19 103.67 1uhr n GLY 89 Ca 0.17 -1.73 -0.16 0.00 0.00 0.00 0.00 46.02 44.30 1uhr n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uhr h PRO 90 N 0.00 0.37 0.00 1.61 0.13 -1.90 -3.48 132.00 128.74 1uhr h PRO 90 Ca 0.00 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1uhr h PRO 90 Cb 0.00 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.22 1uhr h PRO 90 CO 0.00 1.03 0.00 -1.13 -0.23 0.00 0.00 178.00 177.67 1uhr n SER 91 N -4.31 -1.89 -0.04 1.44 3.41 -1.26 -5.03 113.62 105.94 1uhr n SER 91 Ca -0.09 0.57 -0.04 0.00 -0.26 0.00 0.00 58.87 59.05 1uhr n SER 91 Cb 0.60 1.98 -0.01 0.00 -0.26 0.00 0.00 64.21 66.52 1uhr n SER 91 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1uhr n SER 92 N -3.04 0.97 -0.02 4.04 2.88 -1.26 -5.22 113.62 111.97 1uhr n SER 92 Ca 0.00 0.27 0.16 0.00 -1.33 0.00 0.00 58.87 57.97 1uhr n SER 92 Cb 0.00 -0.65 0.93 0.00 -0.75 0.00 0.00 64.21 63.74 1uhr n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42