#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 3.14 -0.17 1.61 0.01 -1.26 -5.00 113.70 112.04 1uhr s SER 2 Ca 0.00 -1.06 -0.11 0.00 1.31 0.00 0.00 55.95 56.09 1uhr s SER 2 Cb 0.00 -0.37 0.04 0.00 0.21 0.00 0.00 66.02 65.90 1uhr s SER 2 CO 0.00 -0.40 0.22 -0.24 0.41 0.00 0.00 173.24 173.23 1uhr n SER 3 N 5.21 -0.75 0.00 2.44 2.88 -1.26 -5.07 113.62 117.08 1uhr n SER 3 Ca -0.06 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 1uhr n SER 3 Cb 0.45 -4.81 0.00 0.00 -0.75 0.00 0.00 64.21 59.10 1uhr n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uhr n GLY 4 N 1.48 1.56 3.77 0.46 0.00 -1.26 -5.16 105.19 106.03 1uhr n GLY 4 Ca -0.37 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 1uhr n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uhr s SER 5 N 1.20 4.60 0.39 1.61 0.01 -1.26 -5.15 113.70 115.10 1uhr s SER 5 Ca 0.00 -0.95 0.04 0.00 1.31 0.00 0.00 55.95 56.35 1uhr s SER 5 Cb 0.00 -0.54 -0.06 0.00 0.21 0.00 0.00 66.02 65.63 1uhr s SER 5 CO 0.00 -0.52 0.04 -0.55 0.41 0.00 0.00 173.24 172.62 1uhr s SER 6 N -3.94 3.20 0.00 2.44 0.15 -1.26 -5.08 113.70 109.20 1uhr s SER 6 Ca 0.42 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.61 1uhr s SER 6 Cb 0.01 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 1uhr s SER 6 CO 0.24 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1uhr n GLY 7 N -0.90 0.81 3.45 9.45 0.00 -1.26 -4.98 105.19 111.76 1uhr n GLY 7 Ca -0.06 -1.35 -0.32 0.00 0.00 0.00 0.00 46.02 44.28 1uhr n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1uhr n GLN 8 N 2.06 -1.63 -1.53 1.61 6.02 -1.26 -4.93 117.38 117.73 1uhr n GLN 8 Ca 0.00 1.31 -0.29 0.00 -0.01 0.00 0.00 57.00 58.01 1uhr n GLN 8 Cb 0.00 -1.83 0.16 0.00 1.02 0.00 0.00 30.24 29.58 1uhr n GLN 8 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1uhr s PRO 9 N -2.18 0.75 0.73 -1.09 0.04 -1.26 -5.04 135.00 126.94 1uhr s PRO 9 Ca 0.32 0.14 -0.11 0.00 0.04 0.00 0.00 61.00 61.39 1uhr s PRO 9 Cb -0.03 -1.81 0.03 0.00 0.04 0.00 0.00 34.50 32.73 1uhr s PRO 9 CO 0.72 -2.43 1.07 -1.25 0.04 0.00 0.00 177.00 175.15 1uhr s PRO 10 N -5.38 2.68 -0.29 0.56 0.04 -1.26 -5.07 135.00 126.27 1uhr s PRO 10 Ca 0.66 0.86 -0.00 0.00 0.04 0.00 0.00 61.00 62.55 1uhr s PRO 10 Cb -0.13 -1.97 0.19 0.00 0.04 0.00 0.00 34.50 32.63 1uhr s PRO 10 CO 0.54 -1.25 0.58 -0.65 0.04 0.00 0.00 177.00 176.25 1uhr s GLN 11 N -5.08 0.55 0.01 4.56 -0.21 -1.26 -3.89 119.66 114.35 1uhr s GLN 11 Ca 0.59 0.91 -0.03 0.00 0.02 0.00 0.00 55.36 56.86 1uhr s GLN 11 Cb -0.14 0.44 -0.04 0.00 1.00 0.00 0.00 33.01 34.27 1uhr s GLN 11 CO 0.55 -0.68 0.20 -0.06 -2.12 0.00 0.00 175.29 173.18 1uhr s PHE 12 N 2.83 3.54 0.02 0.91 0.40 0.74 -4.45 117.98 121.97 1uhr s PHE 12 Ca 0.19 0.36 -0.29 0.00 -0.60 0.00 0.00 56.93 56.59 1uhr s PHE 12 Cb -0.14 -1.83 -0.04 0.00 0.51 0.00 0.00 43.02 41.52 1uhr s PHE 12 CO -0.21 0.63 0.95 0.21 0.70 0.00 0.00 175.22 177.49 1uhr s LYS 13 N -2.06 4.57 0.25 0.44 2.20 0.43 -3.16 119.74 122.41 1uhr s LYS 13 Ca 0.29 1.37 -0.22 0.00 -0.36 0.00 0.00 55.97 57.05 1uhr s LYS 13 Cb -0.13 -3.44 -0.09 0.00 -1.51 0.00 0.00 37.83 32.67 1uhr s LYS 13 CO 0.21 0.02 0.80 -0.51 -0.36 0.00 0.00 175.35 175.50 1uhr s LEU 14 N 0.76 4.37 1.07 5.43 1.43 -1.09 0.26 118.68 130.91 1uhr s LEU 14 Ca 0.49 1.57 -0.15 0.00 -1.03 0.00 0.00 54.13 55.02 1uhr s LEU 14 Cb -0.21 -3.68 0.15 0.00 0.03 0.00 0.00 46.19 42.47 1uhr s LEU 14 CO 0.27 0.02 0.51 0.47 0.23 0.00 0.00 176.35 177.86 1uhr n ASP 15 N 0.77 -1.80 0.17 2.29 9.92 -0.43 -4.41 116.55 123.06 1uhr n ASP 15 Ca -0.01 0.04 0.13 0.00 -0.53 0.00 0.00 54.79 54.42 1uhr n ASP 15 Cb 0.50 -1.16 0.45 0.00 -0.64 0.00 0.00 41.12 40.27 1uhr n ASP 15 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1uhr h PRO 16 N -2.11 0.00 0.00 -0.24 0.13 -1.96 1.04 132.00 128.87 1uhr h PRO 16 Ca -0.52 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.37 1uhr h PRO 16 Cb 1.32 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.41 1uhr h PRO 16 CO 0.41 0.00 -2.05 0.54 -0.23 0.00 0.00 178.00 176.66 1uhr n ARG 17 N -2.57 0.66 -0.07 0.86 1.74 -1.26 -4.22 116.66 111.81 1uhr n ARG 17 Ca 0.03 0.02 -0.22 0.00 -0.77 0.00 0.00 57.85 56.90 1uhr n ARG 17 Cb 0.36 -1.60 -0.12 0.00 -1.02 0.00 0.00 32.46 30.08 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 -2.69 2.25 -0.46 0.55 7.94 -1.14 -2.69 117.00 120.77 1uhr n LEU 18 Ca -0.20 0.28 0.42 0.00 -1.11 0.00 0.00 56.01 55.40 1uhr n LEU 18 Cb 0.95 -1.00 0.78 0.00 0.53 0.00 0.00 43.42 44.68 1uhr n LEU 18 CO 0.44 0.58 1.39 0.00 -1.11 0.00 0.00 177.39 178.69 1uhr h ALA 19 N -0.32 3.39 0.00 1.96 0.00 0.93 1.47 119.26 126.69 1uhr h ALA 19 Ca -0.45 -0.05 -0.31 0.00 0.00 0.00 0.00 54.91 54.10 1uhr h ALA 19 Cb 1.66 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.50 1uhr h ALA 19 CO -0.13 -1.81 -1.96 2.89 0.00 0.00 0.00 179.25 178.24 1uhr n ARG 20 N -4.09 0.65 0.47 0.00 -4.01 -1.26 -1.56 116.66 106.87 1uhr n ARG 20 Ca 0.32 0.17 -0.18 0.00 -1.04 0.00 0.00 57.85 57.12 1uhr n ARG 20 Cb 1.52 -1.69 -0.09 0.00 -3.04 0.00 0.00 32.46 29.17 1uhr n ARG 20 CO 0.00 0.00 0.00 1.25 -3.04 0.00 0.00 177.63 175.84 1uhr h LEU 21 N 0.00 -1.02 0.07 2.89 5.85 0.21 -3.25 115.31 120.06 1uhr h LEU 21 Ca -0.38 0.04 -0.27 0.00 0.84 0.00 0.00 57.88 58.11 1uhr h LEU 21 Cb 2.07 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 43.35 1uhr h LEU 21 CO 0.06 -0.73 -1.35 -0.07 -0.34 0.00 0.00 178.44 176.01 1uhr h LEU 22 N -1.21 0.22 0.00 2.25 3.38 -1.09 -3.48 115.31 115.38 1uhr h LEU 22 Ca -0.12 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1uhr h LEU 22 Cb 0.92 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1uhr h LEU 22 CO 0.20 1.23 0.00 0.61 0.09 0.00 0.00 178.44 180.57 1uhr n GLY 23 N 1.53 0.75 3.35 0.83 0.00 -0.60 -5.03 105.19 106.02 1uhr n GLY 23 Ca -0.10 -0.30 -0.45 0.00 0.00 0.00 0.00 46.02 45.16 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 5.03 0.06 -0.61 1.01 -1.06 -4.94 121.20 118.70 1uhr s ILE 24 Ca 0.00 -1.19 -0.20 0.00 0.00 0.00 0.00 60.65 59.25 1uhr s ILE 24 Cb 0.00 -4.38 -0.09 0.00 0.01 0.00 0.00 42.46 38.00 1uhr s ILE 24 CO 0.00 -0.95 1.32 0.45 0.00 0.00 0.00 174.94 175.76 1uhr h HIS 25 N 9.01 -0.91 -1.93 3.97 3.86 -1.96 -3.41 115.15 123.78 1uhr h HIS 25 Ca -0.29 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 58.90 1uhr h HIS 25 Cb 1.10 0.39 -0.25 0.00 1.06 0.00 0.00 27.41 29.70 1uhr h HIS 25 CO 0.77 -0.35 -0.33 0.99 0.86 0.00 0.00 177.93 179.86 1uhr s THR 26 N -4.61 -0.77 0.00 2.45 2.01 -1.26 -2.68 115.64 110.77 1uhr s THR 26 Ca -0.10 0.04 0.00 0.00 0.31 0.00 0.00 61.69 61.94 1uhr s THR 26 Cb 0.04 -0.84 0.00 0.00 0.01 0.00 0.00 72.50 71.71 1uhr s THR 26 CO 0.35 -0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.27 1uhr n GLN 27 N 5.40 0.78 -1.77 4.92 3.00 -1.19 -4.89 117.38 123.64 1uhr n GLN 27 Ca -0.06 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.71 1uhr n GLN 27 Cb 0.50 0.00 0.14 0.00 0.00 0.00 0.00 30.24 30.88 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 0.00 0.00 -0.02 5.09 -2.24 -1.25 -0.19 114.28 115.68 1uhr n THR 28 Ca 0.00 -0.96 -0.16 0.00 -2.27 0.00 0.00 64.05 60.66 1uhr n THR 28 Cb 0.00 -1.39 -0.12 0.00 -2.10 0.00 0.00 70.33 66.73 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 0.24 0.00 -0.78 2.43 -1.96 -1.59 114.38 112.71 1uhr h ARG 29 Ca -0.32 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 1uhr h ARG 29 Cb 0.97 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1uhr h ARG 29 CO 0.26 0.99 0.00 -0.35 -1.51 0.00 0.00 179.97 179.36 1uhr n PRO 30 N -4.41 0.33 -0.09 0.20 -0.04 -1.26 -0.39 135.00 129.35 1uhr n PRO 30 Ca -0.10 0.07 -0.08 0.00 -0.04 0.00 0.00 63.50 63.35 1uhr n PRO 30 Cb 0.57 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.28 1.29 -0.08 0.52 0.31 -1.20 -4.09 118.33 113.81 1uhr n VAL 31 Ca 0.11 -0.83 -0.12 0.00 -0.01 0.00 0.00 64.34 63.49 1uhr n VAL 31 Cb 0.18 -0.47 -0.07 0.00 -0.91 0.00 0.00 33.84 32.58 1uhr n VAL 31 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1uhr h ILE 32 N 0.00 0.58 -0.95 2.52 2.04 -0.97 -3.06 117.51 117.67 1uhr h ILE 32 Ca -0.48 -1.63 0.28 0.00 1.00 0.00 0.00 64.86 64.02 1uhr h ILE 32 Cb 2.13 1.29 -0.17 0.00 -0.74 0.00 0.00 36.82 39.33 1uhr h ILE 32 CO 0.03 0.20 0.15 -0.29 0.00 0.00 0.00 178.15 178.24 1uhr h ILE 33 N -1.00 0.10 0.66 -0.67 2.10 -0.96 0.20 117.51 117.95 1uhr h ILE 33 Ca -0.14 -0.02 -0.03 0.00 1.08 0.00 0.00 64.86 65.75 1uhr h ILE 33 Cb 0.83 0.04 0.01 0.00 -1.09 0.00 0.00 36.82 36.60 1uhr h ILE 33 CO -0.09 0.01 -0.32 1.56 -1.08 0.00 0.00 178.15 178.24 1uhr h GLN 34 N 0.06 -0.85 -0.98 2.19 1.08 -1.72 0.26 115.11 115.15 1uhr h GLN 34 Ca 0.62 0.06 0.36 0.00 -1.45 0.00 0.00 58.65 58.23 1uhr h GLN 34 Cb 1.33 0.19 -0.18 0.00 -0.05 0.00 0.00 27.48 28.77 1uhr h GLN 34 CO -0.82 -0.57 0.33 0.00 -0.95 0.00 0.00 178.83 176.82 1uhr n ALA 35 N -2.62 0.81 0.02 3.87 0.00 0.07 0.16 120.51 122.81 1uhr n ALA 35 Ca -0.11 1.02 -0.13 0.00 0.00 0.00 0.00 53.44 54.22 1uhr n ALA 35 Cb 0.35 -0.91 -0.09 0.00 0.00 0.00 0.00 19.45 18.80 1uhr n ALA 35 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1uhr h LEU 36 N 0.00 -0.04 -0.88 0.00 5.85 -0.56 -2.86 115.31 116.82 1uhr h LEU 36 Ca 0.74 -0.37 0.15 0.00 0.84 0.00 0.00 57.88 59.23 1uhr h LEU 36 Cb 1.82 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 42.77 1uhr h LEU 36 CO -0.82 0.35 0.48 -0.50 -0.34 0.00 0.00 178.44 177.61 1uhr h TRP 37 N -0.45 0.84 0.00 1.25 4.06 0.37 1.50 115.95 123.53 1uhr h TRP 37 Ca -0.01 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.98 1uhr h TRP 37 Cb 0.41 -0.24 0.00 0.00 -1.00 0.00 0.00 29.16 28.33 1uhr h TRP 37 CO 0.06 0.22 0.00 0.94 -3.56 0.00 0.00 178.44 176.10 1uhr n GLN 38 N -4.83 0.07 -0.06 0.49 -0.06 0.29 -1.03 117.38 112.24 1uhr n GLN 38 Ca 0.18 0.50 -0.21 0.00 -2.00 0.00 0.00 57.00 55.47 1uhr n GLN 38 Cb 0.43 -1.69 -0.13 0.00 -4.06 0.00 0.00 30.24 24.79 1uhr n GLN 38 CO 0.00 0.00 0.00 -0.92 -0.20 0.00 0.00 177.06 175.94 1uhr h TYR 39 N 0.00 0.16 0.00 3.69 5.03 0.23 -2.20 116.97 123.88 1uhr h TYR 39 Ca 0.00 -0.12 -0.01 0.00 2.58 0.00 0.00 58.73 61.18 1uhr h TYR 39 Cb 0.08 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.35 1uhr h TYR 39 CO 0.00 1.46 -0.04 0.82 -1.32 0.00 0.00 178.16 179.08 1uhr h ILE 40 N -0.72 0.12 0.08 1.81 2.04 -0.81 1.43 117.51 121.46 1uhr h ILE 40 Ca -0.29 -0.62 -0.20 0.00 1.00 0.00 0.00 64.86 64.74 1uhr h ILE 40 Cb 1.44 1.55 -0.00 0.00 -0.74 0.00 0.00 36.82 39.07 1uhr h ILE 40 CO -0.08 0.04 -1.02 0.11 0.00 0.00 0.00 178.15 177.20 1uhr h LYS 41 N 0.00 0.17 0.00 2.37 1.57 -1.21 0.26 116.57 119.73 1uhr h LYS 41 Ca -0.00 -0.29 -0.16 0.00 -1.87 0.00 0.00 60.65 58.33 1uhr h LYS 41 Cb 0.55 0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.98 1uhr h LYS 41 CO 0.01 1.14 -0.63 1.15 -0.57 0.00 0.00 179.45 180.54 1uhr h THR 42 N -0.56 1.42 -0.02 -0.16 2.02 -1.22 -3.07 112.91 111.32 1uhr h THR 42 Ca -0.23 -2.10 0.00 0.00 0.77 0.00 0.00 66.41 64.85 1uhr h THR 42 Cb 1.53 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 70.54 1uhr h THR 42 CO 0.02 0.61 0.00 1.41 0.37 0.00 0.00 175.52 177.93 1uhr n HIS 43 N -4.20 0.02 -4.10 3.16 8.25 0.49 -4.91 115.22 113.94 1uhr n HIS 43 Ca -0.10 -0.01 -0.43 0.00 -0.26 0.00 0.00 57.72 56.92 1uhr n HIS 43 Cb 0.69 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.80 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 -0.70 -0.33 -0.05 -0.41 5.02 -0.81 -4.77 118.16 116.12 1uhr n LYS 44 Ca 0.19 0.02 0.10 0.00 -2.02 0.00 0.00 58.31 56.60 1uhr n LYS 44 Cb 0.13 -2.38 0.45 0.00 -0.02 0.00 0.00 35.03 33.21 1uhr n LYS 44 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1uhr n LEU 45 N -4.80 0.98 -4.62 -0.35 4.77 0.01 -4.91 117.00 108.08 1uhr n LEU 45 Ca -0.13 -0.41 -0.47 0.00 -0.03 0.00 0.00 56.01 54.97 1uhr n LEU 45 Cb 0.54 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 1uhr n LEU 45 CO 0.72 0.20 0.92 1.67 -1.33 0.00 0.00 177.39 179.57 1uhr n GLN 46 N -0.13 1.60 -2.02 3.23 7.27 -1.25 -0.35 117.38 125.73 1uhr n GLN 46 Ca 0.15 0.57 -0.42 0.00 0.07 0.00 0.00 57.00 57.37 1uhr n GLN 46 Cb 0.22 -2.19 -0.03 0.00 2.41 0.00 0.00 30.24 30.66 1uhr n GLN 46 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1uhr s ASP 47 N 0.30 6.68 0.25 1.69 2.15 -0.90 -4.55 116.67 122.30 1uhr s ASP 47 Ca 0.74 2.42 0.25 0.00 0.43 0.00 0.00 52.55 56.39 1uhr s ASP 47 Cb -0.77 -2.57 0.90 0.00 -0.30 0.00 0.00 42.92 40.17 1uhr s ASP 47 CO 0.48 -0.80 1.75 1.55 -0.17 0.00 0.00 175.17 177.98 1uhr h PRO 48 N 7.65 0.00 0.00 4.34 0.13 -1.90 -3.25 132.00 138.97 1uhr h PRO 48 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1uhr h PRO 48 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1uhr h PRO 48 CO 0.91 0.00 -0.10 0.45 -0.23 0.00 0.00 178.00 179.03 1uhr h HIS 49 N 0.00 0.00 -4.99 1.56 3.86 -1.96 -3.48 115.15 110.15 1uhr h HIS 49 Ca 0.00 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 58.87 1uhr h HIS 49 Cb 0.56 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.00 1uhr h HIS 49 CO 0.00 0.42 -0.18 0.39 0.86 0.00 0.00 177.93 179.42 1uhr n GLU 50 N -4.69 1.07 -0.00 2.45 -0.58 -1.23 -5.06 120.64 112.60 1uhr n GLU 50 Ca -0.06 -2.02 0.02 0.00 -0.42 0.00 0.00 57.16 54.68 1uhr n GLU 50 Cb 0.22 0.28 -0.03 0.00 -0.57 0.00 0.00 31.44 31.34 1uhr n GLU 50 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1uhr n ARG 51 N -1.15 0.30 0.02 3.49 5.12 -1.26 -4.37 116.66 118.81 1uhr n ARG 51 Ca -0.03 -0.04 0.11 0.00 -1.93 0.00 0.00 57.85 55.96 1uhr n ARG 51 Cb 0.36 -1.09 -0.05 0.00 -1.16 0.00 0.00 32.46 30.52 1uhr n ARG 51 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1uhr n GLU 52 N -1.63 0.39 -2.87 5.56 0.00 -1.26 -4.92 120.64 115.91 1uhr n GLU 52 Ca -0.01 -0.04 -0.22 0.00 0.00 0.00 0.00 57.16 56.89 1uhr n GLU 52 Cb 0.11 -1.59 0.02 0.00 0.00 0.00 0.00 31.44 29.98 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 -3.28 3.05 -0.13 -1.84 0.40 -1.26 0.15 117.98 115.06 1uhr s PHE 53 Ca 0.00 0.08 -0.06 0.00 -0.60 0.00 0.00 56.93 56.35 1uhr s PHE 53 Cb 0.14 -2.48 0.06 0.00 0.51 0.00 0.00 43.02 41.24 1uhr s PHE 53 CO 0.84 -0.55 0.31 0.54 0.70 0.00 0.00 175.22 177.05 1uhr s VAL 54 N -2.61 -0.13 -0.34 -0.44 0.11 0.34 -2.13 120.40 115.20 1uhr s VAL 54 Ca 0.52 0.16 -0.26 0.00 -2.93 0.00 0.00 61.98 59.46 1uhr s VAL 54 Cb -0.10 -0.47 0.01 0.00 -1.53 0.00 0.00 36.38 34.29 1uhr s VAL 54 CO 0.38 0.06 0.94 -0.76 -3.33 0.00 0.00 175.10 172.39 1uhr s LEU 55 N 1.57 3.99 0.03 2.54 1.43 0.52 -3.17 118.68 125.60 1uhr s LEU 55 Ca -0.07 0.75 -0.30 0.00 -1.03 0.00 0.00 54.13 53.47 1uhr s LEU 55 Cb -0.10 -3.31 -0.06 0.00 0.03 0.00 0.00 46.19 42.75 1uhr s LEU 55 CO -0.10 -0.81 1.36 0.00 0.23 0.00 0.00 176.35 177.03 1uhr n ASP 57 N 4.82 -3.48 -0.01 0.00 -0.08 -1.26 -4.09 116.55 112.46 1uhr n ASP 57 Ca 0.12 -0.87 -0.12 0.00 -1.51 0.00 0.00 54.79 52.41 1uhr n ASP 57 Cb 0.44 -0.89 -0.06 0.00 2.34 0.00 0.00 41.12 42.94 1uhr n ASP 57 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1uhr h LYS 58 N 0.00 -0.48 0.07 -0.67 3.64 -1.96 1.57 116.57 118.74 1uhr h LYS 58 Ca -0.36 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.08 1uhr h LYS 58 Cb 1.17 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 33.05 1uhr h LYS 58 CO 0.22 -0.32 -0.45 1.88 -2.27 0.00 0.00 179.45 178.51 1uhr h TYR 59 N -0.49 -1.29 -0.70 1.91 0.05 -1.98 -0.80 116.97 113.67 1uhr h TYR 59 Ca 0.07 0.04 0.09 0.00 0.05 0.00 0.00 58.73 58.98 1uhr h TYR 59 Cb 0.63 0.56 -0.07 0.00 1.01 0.00 0.00 36.73 38.86 1uhr h TYR 59 CO -0.50 -0.54 0.35 -0.07 -1.05 0.00 0.00 178.16 176.35 1uhr h LEU 60 N -0.66 0.46 -2.22 3.88 3.38 -1.73 0.53 115.31 118.96 1uhr h LEU 60 Ca 0.02 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1uhr h LEU 60 Cb 0.70 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1uhr h LEU 60 CO -0.29 0.27 0.13 1.56 0.09 0.00 0.00 178.44 180.20 1uhr h GLN 61 N 0.60 0.00 0.00 1.13 4.20 0.33 1.65 115.11 123.02 1uhr h GLN 61 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 1uhr h GLN 61 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1uhr h GLN 61 CO -0.26 0.00 -1.33 1.04 -0.67 0.00 0.00 178.83 177.61 1uhr n GLN 62 N -2.78 0.24 -0.07 1.46 1.13 0.17 -2.96 117.38 114.57 1uhr n GLN 62 Ca -0.02 -0.07 -0.08 0.00 -1.94 0.00 0.00 57.00 54.89 1uhr n GLN 62 Cb 0.18 -1.51 -0.03 0.00 0.11 0.00 0.00 30.24 28.99 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 -1.79 1.46 0.08 5.09 5.41 0.23 -4.68 119.36 125.15 1uhr n ILE 63 Ca 0.01 0.17 -0.15 0.00 1.00 0.00 0.00 62.75 63.78 1uhr n ILE 63 Cb 0.42 -2.26 -0.08 0.00 -0.71 0.00 0.00 39.64 37.01 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 -0.88 0.67 -1.82 1.39 0.04 0.18 -3.48 116.94 113.05 1uhr h PHE 64 Ca 0.00 -0.39 -0.25 0.00 2.80 0.00 0.00 57.97 60.12 1uhr h PHE 64 Cb 0.88 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.95 1uhr h PHE 64 CO -0.38 1.24 -0.33 0.39 -0.60 0.00 0.00 178.31 178.63 1uhr n GLU 65 N -3.72 -1.02 -3.83 1.51 -0.58 -1.05 -4.98 120.64 106.97 1uhr n GLU 65 Ca -0.08 0.62 -0.30 0.00 -0.42 0.00 0.00 57.16 56.97 1uhr n GLU 65 Cb 0.89 -4.82 -0.14 0.00 -0.57 0.00 0.00 31.44 26.80 1uhr n GLU 65 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1uhr s SER 66 N -2.43 4.15 0.27 1.62 0.01 -1.26 -4.98 113.70 111.08 1uhr s SER 66 Ca 0.00 -2.22 -0.01 0.00 1.31 0.00 0.00 55.95 55.03 1uhr s SER 66 Cb -0.00 -1.20 0.60 0.00 0.21 0.00 0.00 66.02 65.62 1uhr s SER 66 CO 0.00 -0.34 1.67 0.06 0.41 0.00 0.00 173.24 175.04 1uhr h GLN 67 N 7.39 0.26 -3.37 12.44 3.07 -1.92 -3.34 115.11 129.63 1uhr h GLN 67 Ca -0.07 -0.02 -0.36 0.00 0.09 0.00 0.00 58.65 58.30 1uhr h GLN 67 Cb 0.98 -0.06 -0.38 0.00 0.08 0.00 0.00 27.48 28.10 1uhr h GLN 67 CO 0.51 0.17 -0.74 0.50 0.09 0.00 0.00 178.83 179.37 1uhr s ARG 68 N -5.98 -0.05 0.15 0.06 3.52 -1.26 -2.98 118.95 112.40 1uhr s ARG 68 Ca -0.12 0.33 -0.01 0.00 -0.13 0.00 0.00 55.73 55.80 1uhr s ARG 68 Cb 0.24 -0.46 -0.04 0.00 -1.56 0.00 0.00 34.95 33.12 1uhr s ARG 68 CO 0.77 -0.29 0.06 0.00 -0.81 0.00 0.00 175.30 175.03 1uhr s MET 69 N 1.91 1.00 0.16 5.12 0.23 -1.19 -4.99 119.30 121.54 1uhr s MET 69 Ca 0.02 -1.49 -0.20 0.00 -1.03 0.00 0.00 55.69 52.99 1uhr s MET 69 Cb -0.12 0.19 -0.08 0.00 -1.53 0.00 0.00 34.83 33.29 1uhr s MET 69 CO -0.03 -0.27 0.67 0.15 -2.03 0.00 0.00 175.02 173.51 1uhr s LYS 70 N -4.05 4.26 0.55 3.16 1.02 -1.26 -0.50 119.74 122.91 1uhr s LYS 70 Ca 0.27 0.84 0.29 0.00 0.02 0.00 0.00 55.97 57.38 1uhr s LYS 70 Cb 0.07 -3.05 1.46 0.00 -0.52 0.00 0.00 37.83 35.79 1uhr s LYS 70 CO 0.04 0.50 1.93 0.74 -0.92 0.00 0.00 175.35 177.64 1uhr h PHE 71 N 3.88 0.00 0.00 3.18 0.04 0.10 1.53 116.94 125.68 1uhr h PHE 71 Ca -0.48 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.29 1uhr h PHE 71 Cb 1.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.35 1uhr h PHE 71 CO 0.65 0.00 0.00 0.43 -0.60 0.00 0.00 178.31 178.79 1uhr n SER 72 N -4.17 0.26 -0.66 2.17 7.64 -1.26 -2.51 113.62 115.10 1uhr n SER 72 Ca 0.13 0.53 0.13 0.00 1.01 0.00 0.00 58.87 60.67 1uhr n SER 72 Cb 0.78 -0.60 0.27 0.00 -1.01 0.00 0.00 64.21 63.65 1uhr n SER 72 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1uhr n GLU 73 N -1.75 1.80 -0.04 1.43 -0.58 0.52 -4.12 120.64 117.90 1uhr n GLU 73 Ca 0.06 -1.32 -0.14 0.00 -0.42 0.00 0.00 57.16 55.34 1uhr n GLU 73 Cb 0.35 -1.47 -0.08 0.00 -0.57 0.00 0.00 31.44 29.66 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 3.22 1.40 0.00 -3.67 1.08 -1.22 -2.73 117.51 115.59 1uhr h ILE 74 Ca 0.00 -1.59 0.00 0.00 -0.39 0.00 0.00 64.86 62.88 1uhr h ILE 74 Cb 0.74 2.16 0.00 0.00 -3.07 0.00 0.00 36.82 36.65 1uhr h ILE 74 CO 0.00 0.46 0.00 -0.81 -0.69 0.00 0.00 178.15 177.11 1uhr n PRO 75 N -4.46 0.11 0.15 2.37 -0.04 -1.26 -1.53 135.00 130.34 1uhr n PRO 75 Ca -0.07 0.22 0.12 0.00 -0.04 0.00 0.00 63.50 63.72 1uhr n PRO 75 Cb 0.46 -1.66 0.10 0.00 -0.04 0.00 0.00 33.50 32.36 1uhr n PRO 75 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1uhr h GLN 76 N 0.00 0.00 0.00 0.54 4.15 -1.68 -3.31 115.11 114.81 1uhr h GLN 76 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 1uhr h GLN 76 Cb 0.46 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 1uhr h GLN 76 CO 0.00 0.00 -1.90 0.54 -1.93 0.00 0.00 178.83 175.54 1uhr n ARG 77 N -2.78 0.63 -0.24 1.69 3.00 -1.00 -4.37 116.66 113.60 1uhr n ARG 77 Ca 0.02 -0.15 -0.05 0.00 -0.01 0.00 0.00 57.85 57.65 1uhr n ARG 77 Cb 0.53 -1.45 0.05 0.00 0.00 0.00 0.00 32.46 31.59 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 0.78 -1.53 0.55 3.38 -1.36 -1.31 115.31 115.82 1uhr h LEU 78 Ca -0.05 -0.03 0.43 0.00 0.09 0.00 0.00 57.88 58.31 1uhr h LEU 78 Cb 1.00 -0.19 -0.11 0.00 0.09 0.00 0.00 40.66 41.45 1uhr h LEU 78 CO 0.00 0.57 0.91 0.45 0.09 0.00 0.00 178.44 180.46 1uhr h HIS 79 N 0.91 0.42 -0.09 1.13 3.86 -1.76 1.92 115.15 121.55 1uhr h HIS 79 Ca 0.24 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.37 1uhr h HIS 79 Cb -0.09 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.28 1uhr h HIS 79 CO -0.02 -0.13 -0.35 0.00 0.86 0.00 0.00 177.93 178.28 1uhr h ALA 80 N 1.51 0.16 0.00 2.45 0.00 -1.51 -2.90 119.26 118.97 1uhr h ALA 80 Ca 0.79 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1uhr h ALA 80 Cb 2.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.36 1uhr h ALA 80 CO -0.32 0.24 0.00 1.28 0.00 0.00 0.00 179.25 180.45 1uhr n LEU 81 N -4.38 0.60 -4.47 0.00 4.77 0.49 -4.48 117.00 109.53 1uhr n LEU 81 Ca -0.08 0.62 -0.41 0.00 -0.03 0.00 0.00 56.01 56.11 1uhr n LEU 81 Cb 0.52 -0.51 -0.11 0.00 -2.33 0.00 0.00 43.42 40.99 1uhr n LEU 81 CO 0.43 -0.43 -0.12 -0.76 -1.33 0.00 0.00 177.39 175.18 1uhr s LEU 82 N -4.28 4.73 0.27 2.23 1.43 0.53 -1.31 118.68 122.28 1uhr s LEU 82 Ca 0.06 -0.69 0.10 0.00 -1.03 0.00 0.00 54.13 52.56 1uhr s LEU 82 Cb 0.10 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1uhr s LEU 82 CO 0.43 -0.33 -0.01 -0.04 0.23 0.00 0.00 176.35 176.62 1uhr s MET 83 N 1.67 2.26 -0.31 1.70 -1.94 0.14 -4.77 119.30 118.05 1uhr s MET 83 Ca 0.05 -1.44 -0.29 0.00 -1.71 0.00 0.00 55.69 52.30 1uhr s MET 83 Cb -0.18 -2.14 -0.00 0.00 2.01 0.00 0.00 34.83 34.52 1uhr s MET 83 CO 0.09 0.36 1.36 -1.25 -0.01 0.00 0.00 175.02 175.57 1uhr s PRO 84 N -3.67 3.83 -0.59 2.03 0.04 -1.26 0.16 135.00 135.54 1uhr s PRO 84 Ca 0.31 1.23 -0.06 0.00 0.04 0.00 0.00 61.00 62.52 1uhr s PRO 84 Cb -0.06 -3.93 -0.14 0.00 0.04 0.00 0.00 34.50 30.41 1uhr s PRO 84 CO 0.20 -1.23 2.66 -0.35 0.04 0.00 0.00 177.00 178.32 1uhr n PRO 85 N 7.51 2.12 -4.23 0.56 -0.04 -1.26 -4.81 135.00 134.85 1uhr n PRO 85 Ca 0.16 -1.25 -0.16 0.00 -0.04 0.00 0.00 63.50 62.20 1uhr n PRO 85 Cb 0.47 -2.23 -0.11 0.00 -0.04 0.00 0.00 33.50 31.59 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 1.00 0.00 0.54 8.01 -1.26 -5.03 118.70 124.13 1uhr s GLU 86 Ca 0.51 -1.26 0.00 0.00 0.01 0.00 0.00 54.97 54.23 1uhr s GLU 86 Cb 0.19 -0.77 0.00 0.00 -4.31 0.00 0.00 34.13 29.24 1uhr s GLU 86 CO -0.02 0.13 0.00 -0.35 0.01 0.00 0.00 175.26 175.03 1uhr n PRO 87 N 0.39 0.66 -2.97 0.39 -0.04 -1.26 -4.80 135.00 127.37 1uhr n PRO 87 Ca -0.14 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.22 1uhr n PRO 87 Cb 0.58 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.05 1uhr n PRO 87 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1uhr n SER 88 N -0.69 -7.39 -4.38 3.54 7.64 -1.26 -5.02 113.62 106.06 1uhr n SER 88 Ca 0.00 0.69 -0.30 0.00 1.01 0.00 0.00 58.87 60.27 1uhr n SER 88 Cb 0.00 -4.24 -0.14 0.00 -1.01 0.00 0.00 64.21 58.82 1uhr n SER 88 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1uhr s GLY 89 N -1.90 1.49 -0.16 0.23 0.00 -1.26 -5.10 107.32 100.62 1uhr s GLY 89 Ca 0.16 -1.29 -0.29 0.00 0.00 0.00 0.00 44.72 43.30 1uhr s GLY 89 CO 0.69 -1.20 1.27 2.56 0.00 0.00 0.00 173.10 176.43 1uhr s PRO 90 N -1.46 4.24 0.24 2.90 0.04 -1.26 -5.02 135.00 134.68 1uhr s PRO 90 Ca 0.13 1.68 -0.01 0.00 0.04 0.00 0.00 61.00 62.84 1uhr s PRO 90 Cb -0.10 -3.76 -0.04 0.00 0.04 0.00 0.00 34.50 30.64 1uhr s PRO 90 CO 0.04 -0.70 0.44 0.45 0.04 0.00 0.00 177.00 177.27 1uhr s SER 91 N 1.99 6.37 -0.77 6.66 0.15 -1.26 -5.05 113.70 121.80 1uhr s SER 91 Ca 0.55 0.44 -0.15 0.00 0.70 0.00 0.00 55.95 57.49 1uhr s SER 91 Cb -0.22 -2.02 0.19 0.00 -1.71 0.00 0.00 66.02 62.26 1uhr s SER 91 CO 0.15 -0.12 0.73 -0.55 1.20 0.00 0.00 173.24 174.66 1uhr s SER 92 N -3.38 6.63 0.00 5.45 0.15 -1.26 -5.34 113.70 115.95 1uhr s SER 92 Ca 0.39 -2.45 0.00 0.00 0.70 0.00 0.00 55.95 54.59 1uhr s SER 92 Cb -0.11 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 1uhr s SER 92 CO 0.30 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.69