#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhr n SER 2 N 0.00 -1.59 -4.64 1.61 2.88 -1.26 -5.12 113.62 105.49 1uhr n SER 2 Ca 0.00 0.58 -0.46 0.00 -1.33 0.00 0.00 58.87 57.66 1uhr n SER 2 Cb 0.00 1.74 -0.03 0.00 -0.75 0.00 0.00 64.21 65.17 1uhr n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1uhr n SER 3 N -3.05 2.32 -1.41 -3.46 2.88 -1.26 -4.98 113.62 104.66 1uhr n SER 3 Ca 0.00 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 1uhr n SER 3 Cb 0.00 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.11 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 2.25 1.05 3.05 0.46 0.00 -1.26 -5.14 105.19 105.60 1uhr n GLY 4 Ca 0.13 -1.95 -0.08 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.00 0.44 0.18 1.61 0.01 -1.26 -5.16 113.70 108.52 1uhr s SER 5 Ca 0.00 -0.77 0.02 0.00 1.31 0.00 0.00 55.95 56.51 1uhr s SER 5 Cb 0.00 0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.34 1uhr s SER 5 CO 0.00 -0.45 0.34 -0.94 0.41 0.00 0.00 173.24 172.60 1uhr s SER 6 N -2.25 6.35 1.15 2.44 1.04 -1.26 -4.92 113.70 116.24 1uhr s SER 6 Ca -0.03 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1uhr s SER 6 Cb -0.01 -1.94 0.00 0.00 0.10 0.00 0.00 66.02 64.18 1uhr s SER 6 CO -0.05 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.77 1uhr n GLY 7 N -0.75 3.06 3.71 7.32 0.00 -1.26 -4.70 105.19 112.58 1uhr n GLY 7 Ca -0.06 -0.33 -0.65 0.00 0.00 0.00 0.00 46.02 44.98 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 13.96 0.26 -1.54 1.61 3.00 -1.26 -4.91 117.38 128.50 1uhr n GLN 8 Ca 0.00 0.09 -0.29 0.00 -0.01 0.00 0.00 57.00 56.80 1uhr n GLN 8 Cb 0.00 -1.63 0.14 0.00 0.00 0.00 0.00 30.24 28.75 1uhr n GLN 8 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1uhr s PRO 9 N 2.75 1.02 0.93 -1.09 0.04 -1.26 -4.98 135.00 132.41 1uhr s PRO 9 Ca 1.02 0.24 -0.13 0.00 0.04 0.00 0.00 61.00 62.17 1uhr s PRO 9 Cb -1.38 -1.83 0.15 0.00 0.04 0.00 0.00 34.50 31.48 1uhr s PRO 9 CO 0.75 -2.27 1.15 -1.25 0.04 0.00 0.00 177.00 175.43 1uhr s PRO 10 N -5.31 0.96 -0.30 0.56 0.04 -1.26 -5.07 135.00 124.62 1uhr s PRO 10 Ca 0.65 0.21 -0.05 0.00 0.04 0.00 0.00 61.00 61.84 1uhr s PRO 10 Cb -0.14 -1.83 0.18 0.00 0.04 0.00 0.00 34.50 32.76 1uhr s PRO 10 CO 0.53 -2.30 0.74 -0.65 0.04 0.00 0.00 177.00 175.36 1uhr s GLN 11 N -5.34 0.45 0.09 4.56 -0.21 -1.26 -4.01 119.66 113.94 1uhr s GLN 11 Ca 0.65 0.81 0.02 0.00 0.02 0.00 0.00 55.36 56.86 1uhr s GLN 11 Cb -0.13 0.45 -0.04 0.00 1.00 0.00 0.00 33.01 34.29 1uhr s GLN 11 CO 0.53 -0.48 0.18 -0.06 -2.12 0.00 0.00 175.29 173.34 1uhr s PHE 12 N 2.88 3.39 -0.15 0.91 0.40 -0.17 -4.49 117.98 120.75 1uhr s PHE 12 Ca 0.14 0.16 -0.24 0.00 -0.60 0.00 0.00 56.93 56.39 1uhr s PHE 12 Cb -0.13 -1.68 -0.02 0.00 0.51 0.00 0.00 43.02 41.69 1uhr s PHE 12 CO -0.18 0.55 0.74 0.21 0.70 0.00 0.00 175.22 177.25 1uhr s LYS 13 N -2.63 4.31 0.37 0.44 2.20 0.33 -3.35 119.74 121.42 1uhr s LYS 13 Ca 0.33 0.88 -0.25 0.00 -0.36 0.00 0.00 55.97 56.57 1uhr s LYS 13 Cb -0.12 -3.54 -0.09 0.00 -1.51 0.00 0.00 37.83 32.56 1uhr s LYS 13 CO 0.26 -0.20 1.03 -0.51 -0.36 0.00 0.00 175.35 175.57 1uhr s LEU 14 N 1.72 4.22 1.10 5.43 1.43 -1.13 0.23 118.68 131.66 1uhr s LEU 14 Ca 0.36 2.01 -0.15 0.00 -1.03 0.00 0.00 54.13 55.31 1uhr s LEU 14 Cb -0.17 -4.11 0.15 0.00 0.03 0.00 0.00 46.19 42.10 1uhr s LEU 14 CO 0.13 -0.36 0.45 -0.67 0.23 0.00 0.00 176.35 176.13 1uhr n ASP 15 N 0.17 -1.96 0.17 2.29 2.03 -0.45 -4.39 116.55 114.42 1uhr n ASP 15 Ca 0.04 -0.03 0.13 0.00 0.52 0.00 0.00 54.79 55.46 1uhr n ASP 15 Cb 0.49 -1.12 0.44 0.00 -0.72 0.00 0.00 41.12 40.21 1uhr n ASP 15 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1uhr h PRO 16 N -2.17 0.00 0.00 -0.67 0.13 -1.95 1.03 132.00 128.38 1uhr h PRO 16 Ca -0.54 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.35 1uhr h PRO 16 Cb 1.33 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.42 1uhr h PRO 16 CO 0.41 0.00 -2.08 0.54 -0.23 0.00 0.00 178.00 176.64 1uhr n ARG 17 N -2.61 0.67 -0.07 0.86 1.74 -1.26 -4.36 116.66 111.63 1uhr n ARG 17 Ca 0.03 0.01 -0.22 0.00 -0.77 0.00 0.00 57.85 56.90 1uhr n ARG 17 Cb 0.37 -1.59 -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 -2.69 2.23 -0.61 0.55 7.94 -1.15 -2.62 117.00 120.66 1uhr n LEU 18 Ca -0.21 0.30 0.47 0.00 -1.11 0.00 0.00 56.01 55.46 1uhr n LEU 18 Cb 0.97 -1.01 0.75 0.00 0.53 0.00 0.00 43.42 44.66 1uhr n LEU 18 CO 0.44 0.57 1.35 0.00 -1.11 0.00 0.00 177.39 178.64 1uhr n ALA 19 N -3.34 1.66 -0.10 1.96 0.00 0.36 0.48 120.51 121.52 1uhr n ALA 19 Ca -0.35 0.72 -0.24 0.00 0.00 0.00 0.00 53.44 53.57 1uhr n ALA 19 Cb 0.86 -1.08 -0.11 0.00 0.00 0.00 0.00 19.45 19.11 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 -4.18 0.61 -0.39 0.00 3.00 -1.26 -1.53 116.66 112.91 1uhr n ARG 20 Ca 0.42 0.42 -0.10 0.00 -0.01 0.00 0.00 57.85 58.57 1uhr n ARG 20 Cb 1.81 -1.66 -0.09 0.00 0.00 0.00 0.00 32.46 32.51 1uhr n ARG 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1uhr h LEU 21 N -0.78 -2.05 0.18 0.55 5.85 0.28 -1.68 115.31 117.65 1uhr h LEU 21 Ca -0.48 0.31 -0.34 0.00 0.84 0.00 0.00 57.88 58.22 1uhr h LEU 21 Cb 1.54 0.91 0.01 0.00 0.37 0.00 0.00 40.66 43.49 1uhr h LEU 21 CO -0.22 -0.22 -1.65 -0.07 -0.34 0.00 0.00 178.44 175.94 1uhr h LEU 22 N -0.01 0.59 0.00 2.25 3.38 -1.25 -3.48 115.31 116.79 1uhr h LEU 22 Ca 0.15 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1uhr h LEU 22 Cb 0.39 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1uhr h LEU 22 CO -0.89 1.67 0.00 0.61 0.09 0.00 0.00 178.44 179.93 1uhr n GLY 23 N 1.78 0.83 3.44 0.83 0.00 -0.58 -5.03 105.19 106.47 1uhr n GLY 23 Ca -0.21 0.00 -0.44 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 -2.09 4.54 0.08 -0.61 1.01 -1.08 -4.90 121.20 118.15 1uhr s ILE 24 Ca 0.00 -0.88 -0.28 0.00 0.00 0.00 0.00 60.65 59.49 1uhr s ILE 24 Cb 0.00 -4.69 -0.12 0.00 0.01 0.00 0.00 42.46 37.66 1uhr s ILE 24 CO 0.00 -1.43 1.44 0.45 0.00 0.00 0.00 174.94 175.41 1uhr h HIS 25 N 9.25 -1.25 -2.54 3.97 3.86 -1.96 -3.41 115.15 123.08 1uhr h HIS 25 Ca -0.13 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.01 1uhr h HIS 25 Cb 1.06 0.53 -0.27 0.00 1.06 0.00 0.00 27.41 29.79 1uhr h HIS 25 CO 1.02 -0.48 -0.32 0.99 0.86 0.00 0.00 177.93 180.00 1uhr s THR 26 N -5.21 -0.37 0.04 2.45 2.01 -1.26 -2.85 115.64 110.44 1uhr s THR 26 Ca -0.13 0.13 -0.00 0.00 0.31 0.00 0.00 61.69 62.00 1uhr s THR 26 Cb 0.05 -0.66 0.00 0.00 0.01 0.00 0.00 72.50 71.90 1uhr s THR 26 CO 0.49 0.05 0.06 0.00 -0.69 0.00 0.00 174.62 174.53 1uhr n GLN 27 N 4.89 0.08 -1.36 4.92 3.00 -1.21 -4.94 117.38 122.75 1uhr n GLN 27 Ca -0.15 -0.36 -0.20 0.00 -0.01 0.00 0.00 57.00 56.28 1uhr n GLN 27 Cb 0.52 0.33 0.14 0.00 0.00 0.00 0.00 30.24 31.23 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 -0.07 0.00 0.04 5.09 -2.24 -1.26 -1.00 114.28 114.84 1uhr n THR 28 Ca 0.00 -0.71 -0.19 0.00 -2.27 0.00 0.00 64.05 60.88 1uhr n THR 28 Cb 0.07 -1.61 -0.14 0.00 -2.10 0.00 0.00 70.33 66.56 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 0.33 0.00 -0.78 2.43 -1.98 -1.84 114.38 112.54 1uhr h ARG 29 Ca -0.29 -0.49 0.00 0.00 -0.81 0.00 0.00 59.98 58.39 1uhr h ARG 29 Cb 0.82 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1uhr h ARG 29 CO 0.21 1.20 0.00 -0.35 -1.51 0.00 0.00 179.97 179.52 1uhr n PRO 30 N -4.16 0.26 -0.09 0.20 -0.04 -1.26 -0.65 135.00 129.26 1uhr n PRO 30 Ca -0.13 0.08 -0.16 0.00 -0.04 0.00 0.00 63.50 63.26 1uhr n PRO 30 Cb 0.78 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.33 1.52 -0.06 0.52 0.31 -1.22 -3.93 118.33 114.15 1uhr n VAL 31 Ca 0.10 -0.67 -0.13 0.00 -0.01 0.00 0.00 64.34 63.62 1uhr n VAL 31 Cb 0.20 -1.21 -0.12 0.00 -0.91 0.00 0.00 33.84 31.80 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 0.01 1.67 -0.99 2.52 2.04 -1.15 -2.53 117.51 119.07 1uhr h ILE 32 Ca -0.53 -2.09 0.25 0.00 1.00 0.00 0.00 64.86 63.49 1uhr h ILE 32 Cb 2.01 3.08 -0.13 0.00 -0.74 0.00 0.00 36.82 41.05 1uhr h ILE 32 CO -0.02 0.54 0.57 -0.29 0.00 0.00 0.00 178.15 178.95 1uhr h ILE 33 N -0.91 0.51 0.59 -0.67 2.10 -1.12 0.00 117.51 118.01 1uhr h ILE 33 Ca -0.00 -0.19 -0.03 0.00 1.08 0.00 0.00 64.86 65.72 1uhr h ILE 33 Cb 0.88 -0.08 0.01 0.00 -1.09 0.00 0.00 36.82 36.54 1uhr h ILE 33 CO 0.00 0.10 -0.28 1.56 -1.08 0.00 0.00 178.15 178.45 1uhr h GLN 34 N 0.54 -0.76 -1.33 2.19 1.08 -1.68 0.14 115.11 115.29 1uhr h GLN 34 Ca 0.65 0.05 0.39 0.00 -1.45 0.00 0.00 58.65 58.28 1uhr h GLN 34 Cb 1.25 0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 28.80 1uhr h GLN 34 CO -0.49 -0.51 1.14 0.00 -0.95 0.00 0.00 178.83 178.02 1uhr h ALA 35 N -1.32 3.23 0.02 3.87 0.00 -0.81 1.26 119.26 125.51 1uhr h ALA 35 Ca -0.08 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1uhr h ALA 35 Cb 0.61 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1uhr h ALA 35 CO 0.13 -1.83 -0.45 1.25 0.00 0.00 0.00 179.25 178.35 1uhr h LEU 36 N 0.00 0.07 -0.71 0.00 5.85 -0.78 -3.22 115.31 116.52 1uhr h LEU 36 Ca 0.63 -0.87 0.11 0.00 0.84 0.00 0.00 57.88 58.59 1uhr h LEU 36 Cb 2.91 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 43.84 1uhr h LEU 36 CO -0.01 1.19 0.32 -0.50 -0.34 0.00 0.00 178.44 179.11 1uhr h TRP 37 N -0.90 0.57 0.00 1.25 4.06 0.41 1.15 115.95 122.49 1uhr h TRP 37 Ca -0.11 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.87 1uhr h TRP 37 Cb 1.18 -0.15 0.00 0.00 -1.00 0.00 0.00 29.16 29.19 1uhr h TRP 37 CO 0.22 0.16 0.00 0.94 -3.56 0.00 0.00 178.44 176.20 1uhr n GLN 38 N -4.92 0.09 -0.06 0.49 7.27 0.18 -1.25 117.38 119.18 1uhr n GLN 38 Ca 0.12 0.52 -0.20 0.00 0.07 0.00 0.00 57.00 57.51 1uhr n GLN 38 Cb 0.32 -1.75 -0.13 0.00 2.41 0.00 0.00 30.24 31.10 1uhr n GLN 38 CO 0.00 0.00 0.00 -0.92 0.07 0.00 0.00 177.06 176.21 1uhr h TYR 39 N 0.00 0.15 0.00 3.69 5.03 0.13 -1.93 116.97 124.03 1uhr h TYR 39 Ca 0.00 -0.11 -0.02 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 38.36 1uhr h TYR 39 CO 0.00 1.41 -0.09 0.82 -1.32 0.00 0.00 178.16 178.98 1uhr h ILE 40 N -0.76 0.28 0.03 1.81 2.04 -0.69 1.50 117.51 121.72 1uhr h ILE 40 Ca -0.26 -0.63 -0.14 0.00 1.00 0.00 0.00 64.86 64.84 1uhr h ILE 40 Cb 1.40 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 1uhr h ILE 40 CO -0.07 0.09 -0.71 0.11 0.00 0.00 0.00 178.15 177.56 1uhr h LYS 41 N 0.00 0.06 -0.18 2.37 1.57 -1.29 0.28 116.57 119.38 1uhr h LYS 41 Ca -0.00 -0.10 -0.16 0.00 -1.87 0.00 0.00 60.65 58.52 1uhr h LYS 41 Cb 0.48 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1uhr h LYS 41 CO 0.01 1.05 -0.50 1.15 -0.57 0.00 0.00 179.45 180.59 1uhr h THR 42 N -0.84 1.32 -0.06 -0.16 2.02 -1.16 -2.82 112.91 111.21 1uhr h THR 42 Ca -0.18 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 65.27 1uhr h THR 42 Cb 1.27 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.61 1uhr h THR 42 CO -0.05 0.54 0.00 1.41 0.37 0.00 0.00 175.52 177.79 1uhr n HIS 43 N -4.17 0.08 -4.09 3.16 8.25 0.51 -4.92 115.22 114.05 1uhr n HIS 43 Ca -0.06 -0.04 -0.44 0.00 -0.26 0.00 0.00 57.72 56.92 1uhr n HIS 43 Cb 0.59 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.71 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 -0.30 -0.29 0.00 -0.41 4.76 -0.72 -4.77 118.16 116.42 1uhr n LYS 44 Ca 0.16 0.02 0.15 0.00 -2.87 0.00 0.00 58.31 55.77 1uhr n LYS 44 Cb 0.20 -2.34 0.72 0.00 -1.84 0.00 0.00 35.03 31.77 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 -4.84 0.66 -4.65 -0.35 4.77 0.91 -4.89 117.00 108.61 1uhr n LEU 45 Ca -0.12 -0.19 -0.50 0.00 -0.03 0.00 0.00 56.01 55.17 1uhr n LEU 45 Cb 0.54 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.54 1uhr n LEU 45 CO 0.72 0.11 1.15 1.67 -1.33 0.00 0.00 177.39 179.71 1uhr n GLN 46 N -0.55 1.64 -1.70 3.23 7.27 -1.24 -0.32 117.38 125.70 1uhr n GLN 46 Ca 0.20 0.59 -0.43 0.00 0.07 0.00 0.00 57.00 57.43 1uhr n GLN 46 Cb 0.24 -2.31 -0.03 0.00 2.41 0.00 0.00 30.24 30.54 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 3.89 3.78 0.04 1.69 2.03 -0.87 -4.64 116.55 122.47 1uhr n ASP 47 Ca 0.20 1.04 0.11 0.00 0.52 0.00 0.00 54.79 56.66 1uhr n ASP 47 Cb 0.23 -1.52 0.46 0.00 -0.72 0.00 0.00 41.12 39.56 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 4.35 0.07 -0.08 -0.67 -0.04 -1.26 -3.37 135.00 133.99 1uhr n PRO 48 Ca 0.17 0.19 -0.14 0.00 -0.04 0.00 0.00 63.50 63.67 1uhr n PRO 48 Cb 0.34 -1.61 -0.09 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 -5.01 0.54 3.86 -1.96 -3.48 115.15 109.09 1uhr h HIS 49 Ca 0.00 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.84 1uhr h HIS 49 Cb 0.43 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.86 1uhr h HIS 49 CO 0.00 0.94 -0.21 0.39 0.86 0.00 0.00 177.93 179.91 1uhr n GLU 50 N -4.55 1.06 -0.00 2.45 -0.58 -1.22 -5.06 120.64 112.75 1uhr n GLU 50 Ca -0.19 -2.18 0.01 0.00 -0.42 0.00 0.00 57.16 54.38 1uhr n GLU 50 Cb 0.48 0.34 -0.01 0.00 -0.57 0.00 0.00 31.44 31.68 1uhr n GLU 50 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1uhr n ARG 51 N -1.15 4.66 -0.02 3.49 1.85 -1.26 -4.34 116.66 119.88 1uhr n ARG 51 Ca -0.05 -0.00 0.07 0.00 -1.00 0.00 0.00 57.85 56.87 1uhr n ARG 51 Cb 0.39 -0.71 -0.16 0.00 -1.05 0.00 0.00 32.46 30.93 1uhr n ARG 51 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1uhr n GLU 52 N -1.19 0.67 -2.45 2.89 0.00 -1.26 -4.94 120.64 114.36 1uhr n GLU 52 Ca 0.00 -0.16 -0.25 0.00 0.00 0.00 0.00 57.16 56.76 1uhr n GLU 52 Cb 0.03 -1.49 0.04 0.00 0.00 0.00 0.00 31.44 30.03 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 -3.26 3.08 -0.13 -1.84 0.40 -1.26 0.50 117.98 115.47 1uhr s PHE 53 Ca -0.08 0.42 -0.05 0.00 -0.60 0.00 0.00 56.93 56.62 1uhr s PHE 53 Cb 0.12 -2.83 0.06 0.00 0.51 0.00 0.00 43.02 40.88 1uhr s PHE 53 CO 0.84 -0.96 0.27 0.54 0.70 0.00 0.00 175.22 176.62 1uhr s VAL 54 N -2.98 -0.36 -0.47 -0.44 0.11 0.50 -2.05 120.40 114.71 1uhr s VAL 54 Ca 0.56 0.25 -0.28 0.00 -2.93 0.00 0.00 61.98 59.58 1uhr s VAL 54 Cb -0.10 -0.45 0.03 0.00 -1.53 0.00 0.00 36.38 34.32 1uhr s VAL 54 CO 0.43 0.10 1.06 -0.76 -3.33 0.00 0.00 175.10 172.60 1uhr s LEU 55 N 2.21 3.78 0.41 2.54 1.43 0.56 -3.23 118.68 126.37 1uhr s LEU 55 Ca -0.01 0.33 -0.27 0.00 -1.03 0.00 0.00 54.13 53.15 1uhr s LEU 55 Cb -0.12 -3.42 -0.10 0.00 0.03 0.00 0.00 46.19 42.59 1uhr s LEU 55 CO -0.09 -1.18 1.46 0.00 0.23 0.00 0.00 176.35 176.77 1uhr s ASP 57 N -0.28 2.25 0.36 0.00 -1.08 -1.26 -4.41 116.67 112.24 1uhr s ASP 57 Ca 0.57 0.54 0.11 0.00 -0.52 0.00 0.00 52.55 53.25 1uhr s ASP 57 Cb -0.47 -0.76 0.88 0.00 -1.46 0.00 0.00 42.92 41.11 1uhr s ASP 57 CO 0.61 -3.30 1.82 0.07 0.52 0.00 0.00 175.17 174.89 1uhr h LYS 58 N -2.02 0.60 0.21 4.34 2.10 -1.97 1.58 116.57 121.41 1uhr h LYS 58 Ca -0.46 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.15 1uhr h LYS 58 Cb 1.28 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 1uhr h LYS 58 CO 0.40 0.40 -0.10 1.88 -2.00 0.00 0.00 179.45 180.03 1uhr h TYR 59 N 0.62 -0.26 -0.89 0.07 0.05 -1.99 -3.07 116.97 111.49 1uhr h TYR 59 Ca 0.52 -0.01 0.03 0.00 0.05 0.00 0.00 58.73 59.33 1uhr h TYR 59 Cb 0.99 0.09 -0.05 0.00 1.01 0.00 0.00 36.73 38.77 1uhr h TYR 59 CO -0.00 0.13 0.58 -0.07 -1.05 0.00 0.00 178.16 177.75 1uhr h LEU 60 N -0.86 0.96 -2.09 3.88 3.38 -1.65 0.18 115.31 119.11 1uhr h LEU 60 Ca -0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1uhr h LEU 60 Cb 0.51 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1uhr h LEU 60 CO 0.05 0.66 0.14 1.56 0.09 0.00 0.00 178.44 180.94 1uhr h GLN 61 N 1.12 0.00 0.00 1.13 4.20 0.22 1.74 115.11 123.52 1uhr h GLN 61 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 1uhr h GLN 61 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1uhr h GLN 61 CO -0.12 0.00 -1.34 1.04 -0.67 0.00 0.00 178.83 177.74 1uhr n GLN 62 N -2.72 0.24 -0.09 1.46 1.13 0.55 -2.89 117.38 115.07 1uhr n GLN 62 Ca -0.02 -0.07 -0.13 0.00 -1.94 0.00 0.00 57.00 54.84 1uhr n GLN 62 Cb 0.19 -1.51 -0.04 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 1.45 0.12 5.09 5.41 0.26 -4.69 119.36 125.21 1uhr n ILE 63 Ca 0.01 0.04 -0.22 0.00 1.00 0.00 0.00 62.75 63.58 1uhr n ILE 63 Cb 0.42 -2.17 -0.14 0.00 -0.71 0.00 0.00 39.64 37.03 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 0.92 -1.51 1.39 0.04 0.20 -3.48 116.94 113.58 1uhr h PHE 64 Ca -0.15 -0.63 -0.21 0.00 2.80 0.00 0.00 57.97 59.78 1uhr h PHE 64 Cb 1.06 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 39.15 1uhr h PHE 64 CO -0.32 1.48 -0.27 0.39 -0.60 0.00 0.00 178.31 179.00 1uhr n GLU 65 N -3.72 -0.90 -3.88 1.51 1.02 -1.09 -4.99 120.64 108.59 1uhr n GLU 65 Ca -0.14 0.50 -0.30 0.00 -0.02 0.00 0.00 57.16 57.19 1uhr n GLU 65 Cb 1.04 -4.56 -0.14 0.00 -0.02 0.00 0.00 31.44 27.76 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 -2.55 4.29 0.28 1.62 0.01 -1.26 -4.97 113.70 111.12 1uhr s SER 66 Ca 0.01 -2.34 0.01 0.00 1.31 0.00 0.00 55.95 54.94 1uhr s SER 66 Cb -0.00 -1.36 0.68 0.00 0.21 0.00 0.00 66.02 65.55 1uhr s SER 66 CO 0.01 -0.33 1.66 1.56 0.41 0.00 0.00 173.24 176.55 1uhr h GLN 67 N 7.29 0.25 -3.04 12.44 4.20 -1.92 -3.33 115.11 131.00 1uhr h GLN 67 Ca -0.06 -0.02 -0.25 0.00 0.06 0.00 0.00 58.65 58.38 1uhr h GLN 67 Cb 0.97 -0.06 -0.33 0.00 0.30 0.00 0.00 27.48 28.36 1uhr h GLN 67 CO 0.54 0.17 -0.58 0.50 -0.67 0.00 0.00 178.83 178.79 1uhr s ARG 68 N -5.94 0.10 0.15 1.46 3.52 -1.26 -3.16 118.95 113.82 1uhr s ARG 68 Ca -0.12 0.58 -0.01 0.00 -0.13 0.00 0.00 55.73 56.05 1uhr s ARG 68 Cb 0.25 -0.16 -0.04 0.00 -1.56 0.00 0.00 34.95 33.44 1uhr s ARG 68 CO 0.77 -0.26 0.07 0.00 -0.81 0.00 0.00 175.30 175.08 1uhr s MET 69 N 1.99 1.00 0.18 5.12 0.23 -1.20 -4.98 119.30 121.64 1uhr s MET 69 Ca -0.01 -1.49 -0.20 0.00 -1.03 0.00 0.00 55.69 52.96 1uhr s MET 69 Cb -0.12 0.22 -0.08 0.00 -1.53 0.00 0.00 34.83 33.32 1uhr s MET 69 CO -0.07 -0.28 0.68 0.15 -2.03 0.00 0.00 175.02 173.47 1uhr s LYS 70 N -4.07 4.27 0.49 3.16 1.02 -1.26 -0.37 119.74 122.98 1uhr s LYS 70 Ca 0.28 0.85 0.25 0.00 0.02 0.00 0.00 55.97 57.36 1uhr s LYS 70 Cb 0.07 -3.02 1.31 0.00 -0.52 0.00 0.00 37.83 35.67 1uhr s LYS 70 CO 0.04 0.48 1.90 0.74 -0.92 0.00 0.00 175.35 177.60 1uhr h PHE 71 N 3.80 0.21 0.00 3.18 0.04 -0.26 1.43 116.94 125.35 1uhr h PHE 71 Ca -0.48 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.30 1uhr h PHE 71 Cb 1.20 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.28 1uhr h PHE 71 CO 0.65 0.06 0.00 0.45 -0.60 0.00 0.00 178.31 178.87 1uhr n SER 72 N -4.38 0.26 -0.84 2.17 2.88 -1.26 -1.95 113.62 110.50 1uhr n SER 72 Ca 0.17 0.55 0.12 0.00 -1.33 0.00 0.00 58.87 58.37 1uhr n SER 72 Cb 0.78 -0.61 0.27 0.00 -0.75 0.00 0.00 64.21 63.90 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 -1.77 2.13 -0.01 -1.46 -0.58 0.49 -4.12 120.64 115.32 1uhr n GLU 73 Ca 0.05 -1.67 -0.16 0.00 -0.42 0.00 0.00 57.16 54.95 1uhr n GLU 73 Cb 0.27 -1.47 -0.11 0.00 -0.57 0.00 0.00 31.44 29.56 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 1.46 0.00 -3.67 1.08 -1.22 -2.52 117.51 116.35 1uhr h ILE 74 Ca 0.00 -2.00 0.00 0.00 -0.39 0.00 0.00 64.86 62.47 1uhr h ILE 74 Cb 0.80 2.61 0.00 0.00 -3.07 0.00 0.00 36.82 37.16 1uhr h ILE 74 CO 0.00 0.57 0.00 -0.81 -0.69 0.00 0.00 178.15 177.22 1uhr n PRO 75 N -4.32 0.06 0.04 2.37 -0.04 -1.26 -1.27 135.00 130.58 1uhr n PRO 75 Ca -0.10 0.17 0.11 0.00 -0.04 0.00 0.00 63.50 63.65 1uhr n PRO 75 Cb 0.60 -1.59 0.03 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.69 0.34 -0.00 0.54 1.13 -1.19 -3.98 117.38 112.53 1uhr n GLN 76 Ca 0.05 0.02 0.08 0.00 -1.94 0.00 0.00 57.00 55.20 1uhr n GLN 76 Cb 0.28 -1.63 -0.11 0.00 0.11 0.00 0.00 30.24 28.89 1uhr n GLN 76 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1uhr n ARG 77 N -2.08 1.06 -0.08 -1.09 3.00 -0.95 -4.38 116.66 112.14 1uhr n ARG 77 Ca 0.02 -0.09 -0.07 0.00 -0.01 0.00 0.00 57.85 57.70 1uhr n ARG 77 Cb 0.46 -1.32 0.09 0.00 0.00 0.00 0.00 32.46 31.69 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 -1.97 0.55 3.38 -1.31 -2.46 115.31 114.27 1uhr h LEU 78 Ca 0.00 -0.28 0.38 0.00 0.09 0.00 0.00 57.88 58.08 1uhr h LEU 78 Cb 0.58 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 1uhr h LEU 78 CO 0.00 0.97 0.97 0.45 0.09 0.00 0.00 178.44 180.92 1uhr h HIS 79 N 0.67 0.00 -0.01 1.13 3.86 -1.76 1.64 115.15 120.68 1uhr h HIS 79 Ca 0.09 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.22 1uhr h HIS 79 Cb 0.72 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.20 1uhr h HIS 79 CO 0.04 0.00 -0.33 0.00 0.86 0.00 0.00 177.93 178.50 1uhr h ALA 80 N 1.31 0.05 0.00 2.45 0.00 -1.72 -3.13 119.26 118.22 1uhr h ALA 80 Ca 0.63 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1uhr h ALA 80 Cb 2.56 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 20.36 1uhr h ALA 80 CO -0.01 0.15 -0.02 -0.07 0.00 0.00 0.00 179.25 179.30 1uhr h LEU 81 N -0.38 0.00 -8.71 0.00 3.38 0.76 -3.40 115.31 106.96 1uhr h LEU 81 Ca -0.04 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.28 1uhr h LEU 81 Cb 1.06 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.65 1uhr h LEU 81 CO 0.06 0.02 -0.08 -0.76 0.09 0.00 0.00 178.44 177.78 1uhr s LEU 82 N -6.25 4.44 0.22 1.67 1.43 0.48 -1.34 118.68 119.34 1uhr s LEU 82 Ca 0.01 -0.17 0.09 0.00 -1.03 0.00 0.00 54.13 53.03 1uhr s LEU 82 Cb 0.09 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 1uhr s LEU 82 CO 0.56 -0.51 -0.02 -0.04 0.23 0.00 0.00 176.35 176.57 1uhr s MET 83 N 2.37 2.28 -0.33 1.70 -1.94 0.13 -4.76 119.30 118.76 1uhr s MET 83 Ca 0.18 -1.30 -0.29 0.00 -1.71 0.00 0.00 55.69 52.56 1uhr s MET 83 Cb -0.16 -2.22 0.00 0.00 2.01 0.00 0.00 34.83 34.47 1uhr s MET 83 CO 0.14 0.40 1.36 -1.25 -0.01 0.00 0.00 175.02 175.66 1uhr s PRO 84 N -3.32 3.80 -0.58 2.03 0.04 -1.26 0.12 135.00 135.84 1uhr s PRO 84 Ca 0.29 1.19 -0.06 0.00 0.04 0.00 0.00 61.00 62.46 1uhr s PRO 84 Cb -0.08 -3.94 -0.14 0.00 0.04 0.00 0.00 34.50 30.39 1uhr s PRO 84 CO 0.19 -1.27 2.67 -0.35 0.04 0.00 0.00 177.00 178.27 1uhr n PRO 85 N 7.58 2.10 -3.82 0.56 -0.04 -1.26 -4.77 135.00 135.35 1uhr n PRO 85 Ca 0.16 -1.23 -0.11 0.00 -0.04 0.00 0.00 63.50 62.27 1uhr n PRO 85 Cb 0.47 -2.22 -0.08 0.00 -0.04 0.00 0.00 33.50 31.63 1uhr n PRO 85 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1uhr s GLU 86 N 2.15 0.70 0.00 0.54 1.03 -1.26 -5.04 118.70 116.82 1uhr s GLU 86 Ca 0.51 -0.57 0.00 0.00 0.03 0.00 0.00 54.97 54.94 1uhr s GLU 86 Cb 0.19 0.30 0.00 0.00 -0.80 0.00 0.00 34.13 33.82 1uhr s GLU 86 CO -0.02 -0.21 0.00 -0.35 -1.33 0.00 0.00 175.26 173.35 1uhr n PRO 87 N 0.74 0.66 -3.15 -4.83 -0.04 -1.26 -4.76 135.00 122.36 1uhr n PRO 87 Ca -0.19 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.06 1uhr n PRO 87 Cb 0.59 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.07 1uhr n PRO 87 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uhr n SER 88 N -0.67 -6.81 -4.56 3.54 2.88 -1.26 -5.02 113.62 101.72 1uhr n SER 88 Ca 0.00 0.28 -0.26 0.00 -1.33 0.00 0.00 58.87 57.57 1uhr n SER 88 Cb 0.00 -3.54 -0.11 0.00 -0.75 0.00 0.00 64.21 59.81 1uhr n SER 88 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1uhr s GLY 89 N -1.96 2.34 -1.01 0.46 0.00 -1.26 -5.06 107.32 100.83 1uhr s GLY 89 Ca 0.28 -2.21 -0.23 0.00 0.00 0.00 0.00 44.72 42.55 1uhr s GLY 89 CO 0.77 -2.00 1.72 2.56 0.00 0.00 0.00 173.10 176.16 1uhr s PRO 90 N -3.77 3.12 0.24 2.90 0.04 -1.26 -4.35 135.00 131.91 1uhr s PRO 90 Ca 0.35 -0.87 0.00 0.00 0.04 0.00 0.00 61.00 60.52 1uhr s PRO 90 Cb 0.09 -5.25 0.00 0.00 0.04 0.00 0.00 34.50 29.39 1uhr s PRO 90 CO 0.17 -2.84 0.00 0.45 0.04 0.00 0.00 177.00 174.82 1uhr n SER 91 N 11.37 0.08 -2.82 6.66 2.88 -1.26 -5.12 113.62 125.40 1uhr n SER 91 Ca 0.38 0.40 -0.02 0.00 -1.33 0.00 0.00 58.87 58.30 1uhr n SER 91 Cb 0.49 0.25 -0.02 0.00 -0.75 0.00 0.00 64.21 64.18 1uhr n SER 91 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1uhr n SER 92 N -3.43 -5.20 0.00 -3.46 2.88 -1.26 -5.31 113.62 97.84 1uhr n SER 92 Ca 0.00 1.15 0.02 0.00 -1.33 0.00 0.00 58.87 58.72 1uhr n SER 92 Cb 0.01 -4.04 0.15 0.00 -0.75 0.00 0.00 64.21 59.57 1uhr n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42