#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 0.70 0.46 1.61 0.01 -1.26 -5.11 113.70 110.11 1uhr s SER 2 Ca 0.00 0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.56 1uhr s SER 2 Cb 0.00 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.81 1uhr s SER 2 CO 0.00 -0.27 0.00 -0.24 0.41 0.00 0.00 173.24 173.14 1uhr n SER 3 N 5.34 -6.41 -2.66 2.44 2.88 -1.26 -5.01 113.62 108.94 1uhr n SER 3 Ca -0.06 1.05 -0.04 0.00 -1.33 0.00 0.00 58.87 58.50 1uhr n SER 3 Cb 0.50 -3.86 0.05 0.00 -0.75 0.00 0.00 64.21 60.15 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 -3.88 -1.84 3.77 0.46 0.00 -1.26 -5.15 105.19 97.29 1uhr n GLY 4 Ca -0.06 1.24 -0.39 0.00 0.00 0.00 0.00 46.02 46.80 1uhr n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uhr s SER 5 N 0.48 6.58 -0.30 1.61 0.15 -1.26 -5.01 113.70 115.95 1uhr s SER 5 Ca 0.24 2.53 -0.11 0.00 0.70 0.00 0.00 55.95 59.31 1uhr s SER 5 Cb 0.17 -2.63 0.18 0.00 -1.71 0.00 0.00 66.02 62.02 1uhr s SER 5 CO -0.09 -0.65 0.93 -0.94 1.20 0.00 0.00 173.24 173.68 1uhr s SER 6 N -0.82 -0.70 0.00 5.45 1.04 -1.26 -5.04 113.70 112.37 1uhr s SER 6 Ca 0.54 0.57 0.00 0.00 0.48 0.00 0.00 55.95 57.54 1uhr s SER 6 Cb -0.36 1.64 0.00 0.00 0.10 0.00 0.00 66.02 67.41 1uhr s SER 6 CO 0.46 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.16 1uhr n GLY 7 N 5.34 1.23 3.19 7.32 0.00 -1.26 -4.51 105.19 116.49 1uhr n GLY 7 Ca -0.06 0.43 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 2.68 0.72 1.61 -0.21 -1.26 -5.11 119.66 118.09 1uhr s GLN 8 Ca 0.00 -1.08 -0.11 0.00 0.02 0.00 0.00 55.36 54.19 1uhr s GLN 8 Cb 0.00 -3.04 0.02 0.00 1.00 0.00 0.00 33.01 30.99 1uhr s GLN 8 CO 0.00 -0.47 1.07 -1.25 -2.12 0.00 0.00 175.29 172.51 1uhr s PRO 9 N 1.29 2.75 0.21 2.91 0.04 -1.26 -5.01 135.00 135.93 1uhr s PRO 9 Ca -0.02 0.88 -0.30 0.00 0.04 0.00 0.00 61.00 61.61 1uhr s PRO 9 Cb -0.18 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 1uhr s PRO 9 CO -0.03 -1.21 1.10 -1.25 0.04 0.00 0.00 177.00 175.64 1uhr s PRO 10 N -5.07 4.61 -0.20 0.56 0.04 -1.26 -5.03 135.00 128.65 1uhr s PRO 10 Ca 0.59 1.75 -0.04 0.00 0.04 0.00 0.00 61.00 63.33 1uhr s PRO 10 Cb -0.14 -3.25 0.07 0.00 0.04 0.00 0.00 34.50 31.22 1uhr s PRO 10 CO 0.55 0.12 0.09 -0.65 0.04 0.00 0.00 177.00 177.15 1uhr s GLN 11 N -0.72 0.21 0.23 4.56 -0.21 -1.26 -3.67 119.66 118.79 1uhr s GLN 11 Ca 0.48 -0.26 -0.02 0.00 0.02 0.00 0.00 55.36 55.58 1uhr s GLN 11 Cb -0.30 -1.75 -0.04 0.00 1.00 0.00 0.00 33.01 31.91 1uhr s GLN 11 CO 0.37 -0.74 0.44 -0.06 -2.12 0.00 0.00 175.29 173.17 1uhr s PHE 12 N 2.07 3.48 -0.08 0.91 0.40 0.39 -4.64 117.98 120.50 1uhr s PHE 12 Ca 0.03 0.43 -0.22 0.00 -0.60 0.00 0.00 56.93 56.57 1uhr s PHE 12 Cb -0.16 -1.92 -0.04 0.00 0.51 0.00 0.00 43.02 41.41 1uhr s PHE 12 CO -0.15 0.32 0.63 0.21 0.70 0.00 0.00 175.22 176.93 1uhr s LYS 13 N -3.39 4.40 0.38 0.44 2.20 0.68 -3.07 119.74 121.38 1uhr s LYS 13 Ca 0.40 0.74 -0.23 0.00 -0.36 0.00 0.00 55.97 56.52 1uhr s LYS 13 Cb -0.11 -3.44 -0.10 0.00 -1.51 0.00 0.00 37.83 32.67 1uhr s LYS 13 CO 0.29 0.11 0.96 -0.51 -0.36 0.00 0.00 175.35 175.84 1uhr s LEU 14 N 0.70 4.13 1.13 5.43 1.43 -1.16 -0.22 118.68 130.12 1uhr s LEU 14 Ca 0.34 1.79 -0.13 0.00 -1.03 0.00 0.00 54.13 55.09 1uhr s LEU 14 Cb -0.17 -4.28 0.23 0.00 0.03 0.00 0.00 46.19 42.00 1uhr s LEU 14 CO 0.16 -0.25 0.83 0.47 0.23 0.00 0.00 176.35 177.79 1uhr n ASP 15 N -0.08 -1.63 0.19 2.29 9.92 -0.48 -4.44 116.55 122.32 1uhr n ASP 15 Ca 0.05 -0.07 0.14 0.00 -0.53 0.00 0.00 54.79 54.37 1uhr n ASP 15 Cb 0.52 -1.23 0.44 0.00 -0.64 0.00 0.00 41.12 40.21 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 -2.46 0.00 0.00 -0.24 0.13 -1.96 1.04 132.00 128.52 1uhr h PRO 16 Ca -0.58 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.32 1uhr h PRO 16 Cb 1.33 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 1uhr h PRO 16 CO 0.46 0.00 -2.03 0.54 -0.23 0.00 0.00 178.00 176.74 1uhr n ARG 17 N -2.69 0.66 -0.08 0.86 1.74 -1.26 -4.33 116.66 111.56 1uhr n ARG 17 Ca 0.03 0.02 -0.23 0.00 -0.77 0.00 0.00 57.85 56.90 1uhr n ARG 17 Cb 0.37 -1.60 -0.12 0.00 -1.02 0.00 0.00 32.46 30.09 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 -2.68 2.17 -0.65 0.55 7.94 -1.15 -2.52 117.00 120.65 1uhr n LEU 18 Ca -0.20 0.31 0.50 0.00 -1.11 0.00 0.00 56.01 55.52 1uhr n LEU 18 Cb 0.94 -0.99 0.79 0.00 0.53 0.00 0.00 43.42 44.69 1uhr n LEU 18 CO 0.44 0.53 1.42 0.00 -1.11 0.00 0.00 177.39 178.66 1uhr n ALA 19 N -3.41 1.77 -0.09 1.96 0.00 0.36 0.60 120.51 121.69 1uhr n ALA 19 Ca -0.36 0.71 -0.23 0.00 0.00 0.00 0.00 53.44 53.55 1uhr n ALA 19 Cb 0.83 -1.12 -0.12 0.00 0.00 0.00 0.00 19.45 19.05 1uhr n ALA 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1uhr n ARG 20 N -4.13 0.63 -0.39 0.00 1.74 -1.26 -1.77 116.66 111.48 1uhr n ARG 20 Ca 0.44 0.35 -0.11 0.00 -0.77 0.00 0.00 57.85 57.76 1uhr n ARG 20 Cb 1.91 -1.63 -0.10 0.00 -1.02 0.00 0.00 32.46 31.62 1uhr n ARG 20 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1uhr h LEU 21 N -0.61 -2.14 0.21 0.55 5.85 0.46 -1.79 115.31 117.84 1uhr h LEU 21 Ca -0.50 0.32 -0.35 0.00 0.84 0.00 0.00 57.88 58.19 1uhr h LEU 21 Cb 1.64 0.94 0.02 0.00 0.37 0.00 0.00 40.66 43.63 1uhr h LEU 21 CO -0.19 -0.25 -1.67 -0.07 -0.34 0.00 0.00 178.44 175.93 1uhr h LEU 22 N -0.04 0.68 0.00 2.25 3.38 -1.30 -3.48 115.31 116.80 1uhr h LEU 22 Ca 0.15 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.20 1uhr h LEU 22 Cb 0.43 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1uhr h LEU 22 CO -0.90 1.76 0.00 0.61 0.09 0.00 0.00 178.44 179.99 1uhr n GLY 23 N 1.81 1.00 3.49 0.83 0.00 -0.68 -5.05 105.19 106.59 1uhr n GLY 23 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 4.81 0.04 -0.61 1.01 -0.94 -4.90 121.20 118.60 1uhr s ILE 24 Ca 0.00 -0.10 -0.22 0.00 0.00 0.00 0.00 60.65 60.33 1uhr s ILE 24 Cb 0.00 -4.27 -0.12 0.00 0.01 0.00 0.00 42.46 38.08 1uhr s ILE 24 CO 0.00 -0.72 1.33 0.45 0.00 0.00 0.00 174.94 176.00 1uhr h HIS 25 N 8.96 -0.74 -2.21 3.97 3.86 -1.96 -3.41 115.15 123.62 1uhr h HIS 25 Ca -0.26 -0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 58.82 1uhr h HIS 25 Cb 1.09 0.25 -0.28 0.00 1.06 0.00 0.00 27.41 29.53 1uhr h HIS 25 CO 0.75 -0.45 -0.41 0.99 0.86 0.00 0.00 177.93 179.67 1uhr s THR 26 N -4.72 -0.64 0.06 2.45 2.01 -1.26 -2.98 115.64 110.55 1uhr s THR 26 Ca -0.11 0.07 0.01 0.00 0.31 0.00 0.00 61.69 61.96 1uhr s THR 26 Cb 0.01 -0.74 -0.00 0.00 0.01 0.00 0.00 72.50 71.78 1uhr s THR 26 CO 0.35 -0.01 0.04 0.00 -0.69 0.00 0.00 174.62 174.31 1uhr n GLN 27 N 5.38 0.29 -0.08 4.92 3.00 -1.18 -4.93 117.38 124.79 1uhr n GLN 27 Ca -0.06 -0.53 0.00 0.00 -0.01 0.00 0.00 57.00 56.40 1uhr n GLN 27 Cb 0.50 0.39 0.00 0.00 0.00 0.00 0.00 30.24 31.13 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 -0.11 0.00 0.03 5.09 -2.24 -1.24 -0.46 114.28 115.34 1uhr n THR 28 Ca 0.01 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.58 1uhr n THR 28 Cb 0.10 -1.91 -0.14 0.00 -2.10 0.00 0.00 70.33 66.27 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 0.28 0.00 -0.78 2.43 -1.97 -2.26 114.38 112.08 1uhr h ARG 29 Ca 0.00 -0.47 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1uhr h ARG 29 Cb 0.00 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1uhr h ARG 29 CO 0.00 1.23 0.00 -0.35 -1.51 0.00 0.00 179.97 179.34 1uhr n PRO 30 N -4.01 0.16 -0.07 0.20 -0.04 -1.26 0.12 135.00 130.09 1uhr n PRO 30 Ca -0.20 0.10 -0.04 0.00 -0.04 0.00 0.00 63.50 63.32 1uhr n PRO 30 Cb 0.87 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.40 0.93 -0.01 0.52 0.31 -1.24 -3.90 118.33 113.55 1uhr n VAL 31 Ca 0.08 -0.72 -0.22 0.00 -0.01 0.00 0.00 64.34 63.47 1uhr n VAL 31 Cb 0.22 -0.33 -0.14 0.00 -0.91 0.00 0.00 33.84 32.68 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 0.81 -0.84 2.52 2.04 -1.10 -3.11 117.51 117.83 1uhr h ILE 32 Ca -0.37 -2.34 0.08 0.00 1.00 0.00 0.00 64.86 63.22 1uhr h ILE 32 Cb 1.83 2.53 -0.07 0.00 -0.74 0.00 0.00 36.82 40.37 1uhr h ILE 32 CO 0.02 0.74 0.50 -0.29 0.00 0.00 0.00 178.15 179.12 1uhr h ILE 33 N -0.22 0.98 0.53 -0.67 2.10 -0.55 -1.69 117.51 118.00 1uhr h ILE 33 Ca -0.37 -0.30 -0.03 0.00 1.08 0.00 0.00 64.86 65.24 1uhr h ILE 33 Cb 1.83 0.02 0.01 0.00 -1.09 0.00 0.00 36.82 37.59 1uhr h ILE 33 CO 0.03 0.16 -0.26 1.56 -1.08 0.00 0.00 178.15 178.57 1uhr h GLN 34 N 0.88 -0.69 -1.88 2.19 1.08 -1.71 0.16 115.11 115.15 1uhr h GLN 34 Ca 0.38 0.05 0.54 0.00 -1.45 0.00 0.00 58.65 58.17 1uhr h GLN 34 Cb 0.25 0.16 -0.08 0.00 -0.05 0.00 0.00 27.48 27.77 1uhr h GLN 34 CO -0.20 -0.46 1.39 0.00 -0.95 0.00 0.00 178.83 178.61 1uhr h ALA 35 N -1.53 3.78 0.00 3.87 0.00 -1.44 1.57 119.26 125.52 1uhr h ALA 35 Ca -0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1uhr h ALA 35 Cb 0.55 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1uhr h ALA 35 CO 0.12 -2.36 -0.04 1.25 0.00 0.00 0.00 179.25 178.22 1uhr h LEU 36 N 0.00 0.00 -0.68 0.00 5.85 -0.92 -3.19 115.31 116.37 1uhr h LEU 36 Ca 0.89 -0.88 0.11 0.00 0.84 0.00 0.00 57.88 58.85 1uhr h LEU 36 Cb 3.67 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 44.62 1uhr h LEU 36 CO -0.01 0.96 0.27 -0.50 -0.34 0.00 0.00 178.44 178.82 1uhr h TRP 37 N -1.00 0.47 0.00 1.25 4.06 0.49 1.16 115.95 122.38 1uhr h TRP 37 Ca -0.01 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.97 1uhr h TRP 37 Cb 0.90 -0.11 0.00 0.00 -1.00 0.00 0.00 29.16 28.96 1uhr h TRP 37 CO 0.24 0.10 0.00 0.94 -3.56 0.00 0.00 178.44 176.17 1uhr n GLN 38 N -4.98 0.12 -0.05 0.49 -0.06 0.21 -0.75 117.38 112.36 1uhr n GLN 38 Ca 0.11 0.62 -0.20 0.00 -2.00 0.00 0.00 57.00 55.53 1uhr n GLN 38 Cb 0.32 -1.91 -0.13 0.00 -4.06 0.00 0.00 30.24 24.47 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 0.18 0.00 3.69 5.03 0.14 -2.04 116.97 123.96 1uhr h TYR 39 Ca 0.00 -0.13 -0.03 0.00 2.58 0.00 0.00 58.73 61.15 1uhr h TYR 39 Cb 0.00 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.27 1uhr h TYR 39 CO 0.00 1.43 -0.13 0.82 -1.32 0.00 0.00 178.16 178.95 1uhr h ILE 40 N -0.71 0.38 0.05 1.81 2.04 -0.49 1.46 117.51 122.06 1uhr h ILE 40 Ca -0.26 -0.79 -0.13 0.00 1.00 0.00 0.00 64.86 64.67 1uhr h ILE 40 Cb 1.44 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 39.10 1uhr h ILE 40 CO -0.06 0.13 -0.65 0.11 0.00 0.00 0.00 178.15 177.68 1uhr h LYS 41 N 0.00 0.11 -0.10 2.37 1.57 -1.06 0.17 116.57 119.63 1uhr h LYS 41 Ca -0.00 -0.18 -0.15 0.00 -1.87 0.00 0.00 60.65 58.45 1uhr h LYS 41 Cb 0.57 0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.96 1uhr h LYS 41 CO 0.02 1.09 -0.52 1.15 -0.57 0.00 0.00 179.45 180.62 1uhr h THR 42 N -0.74 1.37 -0.02 -0.16 2.02 -1.21 -2.95 112.91 111.23 1uhr h THR 42 Ca -0.15 -1.85 0.00 0.00 0.77 0.00 0.00 66.41 65.18 1uhr h THR 42 Cb 1.33 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 69.96 1uhr h THR 42 CO 0.01 0.55 0.00 1.41 0.37 0.00 0.00 175.52 177.86 1uhr n HIS 43 N -4.22 0.02 -4.09 3.16 8.25 0.50 -4.91 115.22 113.92 1uhr n HIS 43 Ca -0.08 -0.01 -0.47 0.00 -0.26 0.00 0.00 57.72 56.90 1uhr n HIS 43 Cb 0.61 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.74 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 -0.60 -0.21 -0.01 -0.41 4.76 -0.56 -4.77 118.16 116.36 1uhr n LYS 44 Ca 0.20 0.04 0.14 0.00 -2.87 0.00 0.00 58.31 55.82 1uhr n LYS 44 Cb 0.17 -2.35 0.71 0.00 -1.84 0.00 0.00 35.03 31.71 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 -5.01 0.66 -4.65 -0.35 4.77 0.48 -4.89 117.00 108.01 1uhr n LEU 45 Ca -0.11 -0.23 -0.50 0.00 -0.03 0.00 0.00 56.01 55.14 1uhr n LEU 45 Cb 0.55 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 1uhr n LEU 45 CO 0.73 0.12 1.18 1.67 -1.33 0.00 0.00 177.39 179.76 1uhr n GLN 46 N -0.46 1.71 -1.70 3.23 7.27 -1.25 0.15 117.38 126.33 1uhr n GLN 46 Ca 0.20 0.62 -0.43 0.00 0.07 0.00 0.00 57.00 57.47 1uhr n GLN 46 Cb 0.21 -2.36 -0.03 0.00 2.41 0.00 0.00 30.24 30.47 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 4.04 3.83 0.18 1.69 2.03 -0.13 -4.60 116.55 123.59 1uhr n ASP 47 Ca 0.20 1.05 0.14 0.00 0.52 0.00 0.00 54.79 56.70 1uhr n ASP 47 Cb 0.24 -1.54 0.44 0.00 -0.72 0.00 0.00 41.12 39.54 1uhr n ASP 47 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1uhr h PRO 48 N 6.92 0.00 0.02 -0.67 0.13 -1.89 -3.25 132.00 133.26 1uhr h PRO 48 Ca -0.44 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1uhr h PRO 48 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1uhr h PRO 48 CO 0.94 0.00 -0.01 0.45 -0.23 0.00 0.00 178.00 179.15 1uhr h HIS 49 N 0.00 -0.02 -4.84 1.56 3.86 -1.96 -3.48 115.15 110.27 1uhr h HIS 49 Ca 0.00 -0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.97 1uhr h HIS 49 Cb 0.65 0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.11 1uhr h HIS 49 CO 0.00 0.47 -0.10 0.39 0.86 0.00 0.00 177.93 179.55 1uhr n GLU 50 N -4.72 1.10 0.00 2.45 -0.58 -1.23 -5.05 120.64 112.61 1uhr n GLU 50 Ca -0.05 -1.44 0.00 0.00 -0.42 0.00 0.00 57.16 55.25 1uhr n GLU 50 Cb 0.24 0.12 0.00 0.00 -0.57 0.00 0.00 31.44 31.23 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 -1.13 4.22 -0.00 3.49 5.12 -1.26 -4.44 116.66 122.67 1uhr n ARG 51 Ca 0.00 -0.16 0.04 0.00 -1.93 0.00 0.00 57.85 55.80 1uhr n ARG 51 Cb 0.26 -0.65 -0.05 0.00 -1.16 0.00 0.00 32.46 30.86 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 -0.65 3.91 -3.09 5.56 0.00 -1.26 -4.96 120.64 120.15 1uhr n GLU 52 Ca 0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 57.16 56.94 1uhr n GLU 52 Cb 0.00 -0.93 0.01 0.00 0.00 0.00 0.00 31.44 30.52 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 -1.87 3.14 -0.11 -1.84 0.40 -1.26 0.14 117.98 116.59 1uhr s PHE 53 Ca 0.03 0.06 -0.04 0.00 -0.60 0.00 0.00 56.93 56.38 1uhr s PHE 53 Cb 0.07 -2.27 0.06 0.00 0.51 0.00 0.00 43.02 41.38 1uhr s PHE 53 CO 0.36 -0.31 0.17 0.54 0.70 0.00 0.00 175.22 176.68 1uhr s VAL 54 N -2.46 -0.27 -0.66 -0.44 0.11 0.92 -0.95 120.40 116.65 1uhr s VAL 54 Ca 0.48 0.24 -0.27 0.00 -2.93 0.00 0.00 61.98 59.50 1uhr s VAL 54 Cb -0.10 -0.39 0.02 0.00 -1.53 0.00 0.00 36.38 34.38 1uhr s VAL 54 CO 0.36 0.06 1.37 -0.76 -3.33 0.00 0.00 175.10 172.80 1uhr s LEU 55 N 2.30 3.28 0.27 2.54 1.43 0.12 -3.20 118.68 125.42 1uhr s LEU 55 Ca 0.04 -0.09 -0.30 0.00 -1.03 0.00 0.00 54.13 52.75 1uhr s LEU 55 Cb -0.13 -2.77 -0.14 0.00 0.03 0.00 0.00 46.19 43.19 1uhr s LEU 55 CO -0.07 -1.82 1.23 0.00 0.23 0.00 0.00 176.35 175.91 1uhr n ASP 57 N 1.52 -1.18 -0.03 0.00 2.03 -1.26 -4.42 116.55 113.22 1uhr n ASP 57 Ca 0.10 -1.25 0.13 0.00 0.52 0.00 0.00 54.79 54.28 1uhr n ASP 57 Cb 0.32 -0.94 0.55 0.00 -0.72 0.00 0.00 41.12 40.32 1uhr n ASP 57 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1uhr h LYS 58 N 0.00 0.29 0.16 -0.67 -0.00 -1.97 1.22 116.57 115.59 1uhr h LYS 58 Ca -0.39 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.65 60.23 1uhr h LYS 58 Cb 1.14 -0.07 0.00 0.00 -0.00 0.00 0.00 32.23 33.31 1uhr h LYS 58 CO 0.26 0.19 -0.07 1.88 -0.00 0.00 0.00 179.45 181.71 1uhr h TYR 59 N 0.30 -0.19 -0.78 0.07 0.05 -1.99 -3.15 116.97 111.27 1uhr h TYR 59 Ca 0.24 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.01 1uhr h TYR 59 Cb 0.55 0.06 -0.04 0.00 1.01 0.00 0.00 36.73 38.32 1uhr h TYR 59 CO -0.00 0.21 0.47 -0.07 -1.05 0.00 0.00 178.16 177.72 1uhr h LEU 60 N -0.92 0.94 -2.51 3.88 3.38 -1.76 0.43 115.31 118.74 1uhr h LEU 60 Ca -0.02 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1uhr h LEU 60 Cb 0.49 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1uhr h LEU 60 CO 0.03 0.72 0.15 1.56 0.09 0.00 0.00 178.44 181.00 1uhr h GLN 61 N 1.08 0.00 0.00 1.13 4.20 0.14 1.70 115.11 123.36 1uhr h GLN 61 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 1uhr h GLN 61 Cb -0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1uhr h GLN 61 CO -0.05 0.00 -1.34 1.04 -0.67 0.00 0.00 178.83 177.80 1uhr n GLN 62 N -3.11 0.26 -0.04 1.46 1.13 0.07 -3.13 117.38 114.01 1uhr n GLN 62 Ca -0.02 -0.07 -0.05 0.00 -1.94 0.00 0.00 57.00 54.92 1uhr n GLN 62 Cb 0.22 -1.52 -0.02 0.00 0.11 0.00 0.00 30.24 29.04 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 -1.81 0.83 0.02 5.09 5.41 0.19 -4.67 119.36 124.42 1uhr n ILE 63 Ca 0.01 0.29 -0.09 0.00 1.00 0.00 0.00 62.75 63.96 1uhr n ILE 63 Cb 0.42 -1.92 0.06 0.00 -0.71 0.00 0.00 39.64 37.50 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 -0.51 0.63 -2.01 1.39 -1.00 0.19 -3.47 116.94 112.16 1uhr h PHE 64 Ca 0.00 -0.23 -0.28 0.00 2.81 0.00 0.00 57.97 60.27 1uhr h PHE 64 Cb 0.51 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.95 1uhr h PHE 64 CO -0.22 0.95 -0.36 0.39 -1.61 0.00 0.00 178.31 177.46 1uhr n GLU 65 N -3.94 -1.18 -3.84 1.51 -0.58 -0.96 -4.98 120.64 106.68 1uhr n GLU 65 Ca -0.03 0.67 -0.30 0.00 -0.42 0.00 0.00 57.16 57.08 1uhr n GLU 65 Cb 0.61 -4.94 -0.14 0.00 -0.57 0.00 0.00 31.44 26.41 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 -2.39 4.16 0.27 1.62 0.01 -1.26 -4.98 113.70 111.13 1uhr s SER 66 Ca 0.01 -2.33 -0.03 0.00 1.31 0.00 0.00 55.95 54.91 1uhr s SER 66 Cb -0.00 -1.25 0.58 0.00 0.21 0.00 0.00 66.02 65.55 1uhr s SER 66 CO 0.01 -0.33 1.61 0.06 0.41 0.00 0.00 173.24 175.00 1uhr h GLN 67 N 7.26 0.07 -3.12 12.44 3.07 -1.91 -3.33 115.11 129.59 1uhr h GLN 67 Ca -0.06 -0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.40 1uhr h GLN 67 Cb 0.97 -0.02 -0.34 0.00 0.08 0.00 0.00 27.48 28.16 1uhr h GLN 67 CO 0.53 0.05 -0.62 0.50 0.09 0.00 0.00 178.83 179.38 1uhr s ARG 68 N -6.07 0.06 0.19 0.06 3.52 -1.26 -2.60 118.95 112.85 1uhr s ARG 68 Ca -0.13 0.52 -0.00 0.00 -0.13 0.00 0.00 55.73 55.99 1uhr s ARG 68 Cb 0.25 -0.24 -0.04 0.00 -1.56 0.00 0.00 34.95 33.36 1uhr s ARG 68 CO 0.77 -0.27 0.09 0.00 -0.81 0.00 0.00 175.30 175.08 1uhr s MET 69 N 1.99 1.17 0.17 5.12 0.23 -1.19 -4.97 119.30 121.83 1uhr s MET 69 Ca -0.00 -1.60 -0.18 0.00 -1.03 0.00 0.00 55.69 52.87 1uhr s MET 69 Cb -0.12 0.06 -0.08 0.00 -1.53 0.00 0.00 34.83 33.17 1uhr s MET 69 CO -0.06 -0.30 0.65 0.15 -2.03 0.00 0.00 175.02 173.42 1uhr s LYS 70 N -4.07 4.16 0.61 3.16 1.02 -1.26 -0.05 119.74 123.30 1uhr s LYS 70 Ca 0.33 0.73 0.29 0.00 0.02 0.00 0.00 55.97 57.34 1uhr s LYS 70 Cb 0.07 -2.96 1.54 0.00 -0.52 0.00 0.00 37.83 35.96 1uhr s LYS 70 CO 0.09 0.46 1.93 0.74 -0.92 0.00 0.00 175.35 177.65 1uhr h PHE 71 N 3.64 0.00 0.00 3.18 0.04 0.98 1.51 116.94 126.29 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 -0.02 0.43 -0.60 0.00 0.00 178.31 178.77 1uhr n SER 72 N -3.55 0.24 -0.85 2.17 7.64 -1.26 -2.69 113.62 115.32 1uhr n SER 72 Ca 0.05 0.50 0.12 0.00 1.01 0.00 0.00 58.87 60.55 1uhr n SER 72 Cb 0.55 -0.55 0.25 0.00 -1.01 0.00 0.00 64.21 63.45 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 -1.71 2.15 -0.01 1.43 -0.58 0.52 -4.14 120.64 118.29 1uhr n GLU 73 Ca 0.07 -1.69 -0.16 0.00 -0.42 0.00 0.00 57.16 54.95 1uhr n GLU 73 Cb 0.37 -1.47 -0.10 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 3.83 1.44 0.00 -3.67 1.08 -1.37 -2.17 117.51 116.65 1uhr h ILE 74 Ca 0.00 -1.93 0.00 0.00 -0.39 0.00 0.00 64.86 62.54 1uhr h ILE 74 Cb 0.82 2.49 0.00 0.00 -3.07 0.00 0.00 36.82 37.06 1uhr h ILE 74 CO 0.00 0.56 0.00 -0.81 -0.69 0.00 0.00 178.15 177.21 1uhr n PRO 75 N -4.32 0.14 0.03 2.37 -0.04 -1.26 -1.59 135.00 130.34 1uhr n PRO 75 Ca -0.09 0.24 0.11 0.00 -0.04 0.00 0.00 63.50 63.72 1uhr n PRO 75 Cb 0.59 -1.71 0.04 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.96 0.28 -0.00 0.54 6.02 -1.18 -3.92 117.38 117.16 1uhr n GLN 76 Ca 0.04 0.01 0.08 0.00 -0.01 0.00 0.00 57.00 57.12 1uhr n GLN 76 Cb 0.30 -1.60 -0.11 0.00 1.02 0.00 0.00 30.24 29.85 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 -1.97 1.16 -0.08 -1.09 3.00 -0.82 -4.37 116.66 112.49 1uhr n ARG 77 Ca 0.02 -0.05 -0.14 0.00 -0.01 0.00 0.00 57.85 57.67 1uhr n ARG 77 Cb 0.43 -1.33 -0.05 0.00 0.00 0.00 0.00 32.46 31.51 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 0.81 -1.31 0.55 3.38 -1.41 -2.98 115.31 114.34 1uhr h LEU 78 Ca 0.00 -0.52 0.45 0.00 0.09 0.00 0.00 57.88 57.90 1uhr h LEU 78 Cb 0.51 -0.23 -0.14 0.00 0.09 0.00 0.00 40.66 40.89 1uhr h LEU 78 CO 0.00 1.17 0.81 0.45 0.09 0.00 0.00 178.44 180.95 1uhr h HIS 79 N 0.47 0.58 -0.03 1.13 3.86 -1.76 1.74 115.15 121.14 1uhr h HIS 79 Ca 0.02 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1uhr h HIS 79 Cb 1.00 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 29.33 1uhr h HIS 79 CO 0.08 -0.29 -0.03 0.00 0.86 0.00 0.00 177.93 178.54 1uhr h ALA 80 N 1.68 0.04 0.00 2.45 0.00 -1.80 -2.75 119.26 118.89 1uhr h ALA 80 Ca 0.86 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1uhr h ALA 80 Cb 2.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.40 1uhr h ALA 80 CO -0.51 -0.17 0.00 -0.07 0.00 0.00 0.00 179.25 178.49 1uhr h LEU 81 N -0.41 0.00 -8.99 0.00 3.38 0.20 -3.40 115.31 106.09 1uhr h LEU 81 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 1uhr h LEU 81 Cb 0.55 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.16 1uhr h LEU 81 CO 0.01 0.00 -0.25 -0.76 0.09 0.00 0.00 178.44 177.53 1uhr s LEU 82 N -5.35 4.07 0.27 1.67 1.43 0.42 -1.38 118.68 119.81 1uhr s LEU 82 Ca 0.00 0.32 0.12 0.00 -1.03 0.00 0.00 54.13 53.54 1uhr s LEU 82 Cb 0.09 -2.42 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 1uhr s LEU 82 CO 0.41 -0.14 -0.19 -0.04 0.23 0.00 0.00 176.35 176.62 1uhr s MET 83 N 1.84 1.70 -0.33 1.70 -1.94 0.69 -4.80 119.30 118.16 1uhr s MET 83 Ca 0.15 -1.71 -0.29 0.00 -1.71 0.00 0.00 55.69 52.13 1uhr s MET 83 Cb -0.15 -1.81 0.00 0.00 2.01 0.00 0.00 34.83 34.88 1uhr s MET 83 CO 0.09 0.34 1.37 -1.25 -0.01 0.00 0.00 175.02 175.56 1uhr s PRO 84 N -3.41 3.79 0.00 2.03 0.04 -1.26 -0.23 135.00 135.97 1uhr s PRO 84 Ca 0.29 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.51 1uhr s PRO 84 Cb -0.05 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.54 1uhr s PRO 84 CO 0.15 -1.28 0.00 -0.35 0.04 0.00 0.00 177.00 175.56 1uhr n PRO 85 N 7.59 0.01 -0.98 0.56 -0.04 -1.26 -4.90 135.00 135.98 1uhr n PRO 85 Ca 0.16 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.30 1uhr n PRO 85 Cb 0.47 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 34.06 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 -1.97 1.53 0.14 0.54 2.02 -1.26 -4.94 118.70 114.75 1uhr s GLU 86 Ca 0.00 1.52 -0.04 0.00 0.02 0.00 0.00 54.97 56.47 1uhr s GLU 86 Cb 0.00 -1.79 -0.04 0.00 0.10 0.00 0.00 34.13 32.40 1uhr s GLU 86 CO 0.00 -2.25 1.35 -1.00 0.02 0.00 0.00 175.26 173.38 1uhr h PRO 87 N -1.36 0.42 -1.41 0.39 0.13 -2.03 -3.45 132.00 124.69 1uhr h PRO 87 Ca -0.44 -0.41 0.13 0.00 -0.87 0.00 0.00 66.00 64.41 1uhr h PRO 87 Cb 1.27 0.11 -0.23 0.00 0.13 0.00 0.00 31.00 32.27 1uhr h PRO 87 CO 0.45 1.06 0.13 0.45 -0.23 0.00 0.00 178.00 179.87 1uhr s SER 88 N -7.04 -0.75 0.00 1.44 0.15 -1.26 -5.18 113.70 101.06 1uhr s SER 88 Ca -0.06 1.06 0.00 0.00 0.70 0.00 0.00 55.95 57.65 1uhr s SER 88 Cb 0.09 1.77 0.00 0.00 -1.71 0.00 0.00 66.02 66.17 1uhr s SER 88 CO 0.86 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.76 1uhr n GLY 89 N 4.91 5.25 3.77 9.45 0.00 -1.26 -5.17 105.19 122.13 1uhr n GLY 89 Ca -0.12 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 1uhr n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uhr s PRO 90 N 1.21 -0.35 -0.05 1.61 0.04 -1.26 -5.07 135.00 131.13 1uhr s PRO 90 Ca 0.00 -0.27 0.04 0.00 0.04 0.00 0.00 61.00 60.81 1uhr s PRO 90 Cb 0.00 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.80 1uhr s PRO 90 CO 0.00 -3.09 -0.17 -1.12 0.04 0.00 0.00 177.00 172.66 1uhr s SER 91 N -4.43 3.79 0.03 6.66 0.01 -1.26 -5.12 113.70 113.38 1uhr s SER 91 Ca 0.73 -0.27 0.01 0.00 1.31 0.00 0.00 55.95 57.72 1uhr s SER 91 Cb -0.06 -0.82 -0.02 0.00 0.21 0.00 0.00 66.02 65.33 1uhr s SER 91 CO 0.54 0.32 -0.05 -0.55 0.41 0.00 0.00 173.24 173.92 1uhr s SER 92 N -0.58 0.48 0.00 2.44 0.15 -1.26 -5.35 113.70 109.57 1uhr s SER 92 Ca 0.08 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.19 1uhr s SER 92 Cb -0.11 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 1uhr s SER 92 CO 0.01 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.78