#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 6.67 -0.28 1.61 0.15 -1.26 -4.91 113.70 115.68 1uhr s SER 2 Ca 0.00 -2.07 -0.24 0.00 0.70 0.00 0.00 55.95 54.34 1uhr s SER 2 Cb 0.00 -2.44 0.10 0.00 -1.71 0.00 0.00 66.02 61.97 1uhr s SER 2 CO 0.00 -1.11 0.89 -0.55 1.20 0.00 0.00 173.24 173.67 1uhr s SER 3 N 3.80 -0.60 0.00 5.45 0.15 -1.26 -5.18 113.70 116.07 1uhr s SER 3 Ca 0.37 1.13 0.00 0.00 0.70 0.00 0.00 55.95 58.15 1uhr s SER 3 Cb -0.03 1.16 0.00 0.00 -1.71 0.00 0.00 66.02 65.44 1uhr s SER 3 CO -0.08 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1uhr n GLY 4 N 2.66 4.16 2.02 9.45 0.00 -1.26 -5.07 105.19 117.15 1uhr n GLY 4 Ca -0.14 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1uhr n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uhr n SER 5 N 0.00 -8.46 0.00 1.61 2.88 -1.26 -5.09 113.62 103.30 1uhr n SER 5 Ca 0.00 1.39 0.00 0.00 -1.33 0.00 0.00 58.87 58.93 1uhr n SER 5 Cb 0.00 -4.71 0.00 0.00 -0.75 0.00 0.00 64.21 58.75 1uhr n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1uhr n SER 6 N 1.69 0.00 0.00 -3.46 7.64 -1.26 -5.14 113.62 113.09 1uhr n SER 6 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1uhr n SER 6 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1uhr n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uhr n GLY 7 N -0.11 -2.28 3.63 0.23 0.00 -1.26 -4.77 105.19 100.63 1uhr n GLY 7 Ca 0.00 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 1.35 -2.06 1.61 6.02 -1.26 -4.95 117.38 118.09 1uhr n GLN 8 Ca 0.00 0.49 -0.33 0.00 -0.01 0.00 0.00 57.00 57.15 1uhr n GLN 8 Cb 0.00 -2.14 0.01 0.00 1.02 0.00 0.00 30.24 29.13 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 -2.24 3.37 0.94 -1.09 0.04 -1.26 -5.05 135.00 129.71 1uhr s PRO 9 Ca 0.66 1.16 -0.13 0.00 0.04 0.00 0.00 61.00 62.73 1uhr s PRO 9 Cb -0.51 -2.04 0.15 0.00 0.04 0.00 0.00 34.50 32.14 1uhr s PRO 9 CO 0.55 -0.76 1.15 -1.25 0.04 0.00 0.00 177.00 176.73 1uhr s PRO 10 N -4.13 0.91 -0.30 0.56 0.04 -1.26 -5.07 135.00 125.76 1uhr s PRO 10 Ca 0.63 0.20 -0.11 0.00 0.04 0.00 0.00 61.00 61.76 1uhr s PRO 10 Cb -0.15 -1.82 0.15 0.00 0.04 0.00 0.00 34.50 32.72 1uhr s PRO 10 CO 0.37 -2.33 0.79 -0.65 0.04 0.00 0.00 177.00 175.21 1uhr s GLN 11 N -5.34 0.45 0.09 4.56 -0.21 -1.26 -4.08 119.66 113.87 1uhr s GLN 11 Ca 0.65 1.08 0.03 0.00 0.02 0.00 0.00 55.36 57.14 1uhr s GLN 11 Cb -0.13 0.64 -0.04 0.00 1.00 0.00 0.00 33.01 34.48 1uhr s GLN 11 CO 0.53 -0.22 0.11 -0.06 -2.12 0.00 0.00 175.29 173.53 1uhr s PHE 12 N 2.74 3.23 -0.01 0.91 0.40 0.02 -4.59 117.98 120.69 1uhr s PHE 12 Ca -0.01 0.08 -0.28 0.00 -0.60 0.00 0.00 56.93 56.13 1uhr s PHE 12 Cb -0.10 -1.62 -0.04 0.00 0.51 0.00 0.00 43.02 41.77 1uhr s PHE 12 CO -0.18 0.53 0.87 0.21 0.70 0.00 0.00 175.22 177.35 1uhr s LYS 13 N -2.52 4.53 0.32 0.44 2.20 0.20 -3.42 119.74 121.48 1uhr s LYS 13 Ca 0.30 1.22 -0.22 0.00 -0.36 0.00 0.00 55.97 56.91 1uhr s LYS 13 Cb -0.12 -3.44 -0.10 0.00 -1.51 0.00 0.00 37.83 32.66 1uhr s LYS 13 CO 0.23 0.03 0.87 -0.51 -0.36 0.00 0.00 175.35 175.61 1uhr s LEU 14 N 0.77 4.24 1.10 5.43 1.43 -1.18 0.29 118.68 130.77 1uhr s LEU 14 Ca 0.46 1.64 -0.14 0.00 -1.03 0.00 0.00 54.13 55.07 1uhr s LEU 14 Cb -0.20 -4.00 0.20 0.00 0.03 0.00 0.00 46.19 42.22 1uhr s LEU 14 CO 0.25 -0.11 0.76 -0.67 0.23 0.00 0.00 176.35 176.81 1uhr n ASP 15 N 0.29 -1.57 0.15 2.29 2.03 -0.44 -4.44 116.55 114.86 1uhr n ASP 15 Ca 0.02 -0.01 0.13 0.00 0.52 0.00 0.00 54.79 55.44 1uhr n ASP 15 Cb 0.51 -1.22 0.45 0.00 -0.72 0.00 0.00 41.12 40.14 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 -2.33 0.00 0.00 -0.67 0.13 -1.96 1.03 132.00 128.20 1uhr h PRO 16 Ca -0.55 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.31 1uhr h PRO 16 Cb 1.32 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.41 1uhr h PRO 16 CO 0.44 0.00 -2.09 0.54 -0.23 0.00 0.00 178.00 176.66 1uhr n ARG 17 N -2.46 0.67 -0.09 0.86 1.74 -1.26 -4.27 116.66 111.86 1uhr n ARG 17 Ca 0.03 0.03 -0.23 0.00 -0.77 0.00 0.00 57.85 56.91 1uhr n ARG 17 Cb 0.35 -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 -2.72 2.11 -0.60 0.55 7.94 -1.14 -2.54 117.00 120.60 1uhr n LEU 18 Ca -0.22 0.33 0.48 0.00 -1.11 0.00 0.00 56.01 55.49 1uhr n LEU 18 Cb 0.99 -0.98 0.80 0.00 0.53 0.00 0.00 43.42 44.77 1uhr n LEU 18 CO 0.44 0.49 1.44 0.00 -1.11 0.00 0.00 177.39 178.65 1uhr h ALA 19 N -0.42 3.65 0.02 1.96 0.00 0.89 1.52 119.26 126.89 1uhr h ALA 19 Ca -0.44 -0.06 -0.35 0.00 0.00 0.00 0.00 54.91 54.06 1uhr h ALA 19 Cb 1.55 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.42 1uhr h ALA 19 CO -0.17 -2.16 -2.14 2.89 0.00 0.00 0.00 179.25 177.67 1uhr n ARG 20 N -4.02 0.68 0.20 0.00 -4.01 -1.26 -1.79 116.66 106.47 1uhr n ARG 20 Ca 0.39 0.16 -0.16 0.00 -1.04 0.00 0.00 57.85 57.21 1uhr n ARG 20 Cb 1.80 -1.63 -0.09 0.00 -3.04 0.00 0.00 32.46 29.49 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 0.01 -1.33 0.00 2.89 5.85 0.24 -3.00 115.31 119.96 1uhr h LEU 21 Ca -0.46 0.12 -0.24 0.00 0.84 0.00 0.00 57.88 58.15 1uhr h LEU 21 Cb 2.07 0.46 -0.04 0.00 0.37 0.00 0.00 40.66 43.53 1uhr h LEU 21 CO 0.03 -0.56 -1.29 -0.07 -0.34 0.00 0.00 178.44 176.20 1uhr h LEU 22 N -0.82 0.00 0.00 2.25 3.38 -1.25 -3.48 115.31 115.39 1uhr h LEU 22 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1uhr h LEU 22 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1uhr h LEU 22 CO -0.14 0.96 0.00 0.61 0.09 0.00 0.00 178.44 179.96 1uhr n GLY 23 N 1.43 0.79 3.51 0.83 0.00 -0.74 -5.03 105.19 105.99 1uhr n GLY 23 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.06 4.58 0.05 -0.61 1.01 -0.97 -4.90 121.20 118.29 1uhr s ILE 24 Ca 0.00 0.16 -0.27 0.00 0.00 0.00 0.00 60.65 60.54 1uhr s ILE 24 Cb 0.00 -4.42 -0.15 0.00 0.01 0.00 0.00 42.46 37.91 1uhr s ILE 24 CO 0.00 -0.92 1.41 0.45 0.00 0.00 0.00 174.94 175.88 1uhr h HIS 25 N 9.14 -0.95 -1.44 3.97 3.86 -1.96 -3.40 115.15 124.37 1uhr h HIS 25 Ca -0.26 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 58.93 1uhr h HIS 25 Cb 1.08 0.33 -0.24 0.00 1.06 0.00 0.00 27.41 29.64 1uhr h HIS 25 CO 0.84 -0.55 -0.34 0.99 0.86 0.00 0.00 177.93 179.72 1uhr s THR 26 N -5.15 -0.84 0.00 2.45 2.01 -1.26 -3.09 115.64 109.75 1uhr s THR 26 Ca -0.14 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.84 1uhr s THR 26 Cb 0.02 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.61 1uhr s THR 26 CO 0.44 -0.04 0.00 0.00 -0.69 0.00 0.00 174.62 174.33 1uhr n GLN 27 N 5.41 1.29 -0.15 4.92 3.00 -1.22 -4.92 117.38 125.70 1uhr n GLN 27 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1uhr n GLN 27 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.75 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 -0.03 5.09 -2.24 -1.26 -0.80 114.28 115.04 1uhr n THR 28 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 1uhr n THR 28 Cb 0.00 -1.79 -0.13 0.00 -2.10 0.00 0.00 70.33 66.31 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 0.11 0.00 -0.78 2.43 -1.97 -2.49 114.38 111.68 1uhr h ARG 29 Ca 0.00 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1uhr h ARG 29 Cb 0.00 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1uhr h ARG 29 CO 0.00 1.09 0.00 -0.35 -1.51 0.00 0.00 179.97 179.20 1uhr n PRO 30 N -4.35 0.40 -0.09 0.20 -0.04 -1.26 -0.06 135.00 129.79 1uhr n PRO 30 Ca -0.17 0.06 -0.09 0.00 -0.04 0.00 0.00 63.50 63.26 1uhr n PRO 30 Cb 0.67 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.23 1.28 -0.04 0.52 0.31 -1.24 -3.90 118.33 114.03 1uhr n VAL 31 Ca 0.12 -0.82 -0.21 0.00 -0.01 0.00 0.00 64.34 63.41 1uhr n VAL 31 Cb 0.16 -0.44 -0.13 0.00 -0.91 0.00 0.00 33.84 32.52 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 0.89 -0.82 2.52 2.04 -1.12 -3.08 117.51 117.94 1uhr h ILE 32 Ca -0.51 -2.30 0.11 0.00 1.00 0.00 0.00 64.86 63.17 1uhr h ILE 32 Cb 2.15 2.48 -0.08 0.00 -0.74 0.00 0.00 36.82 40.63 1uhr h ILE 32 CO 0.03 0.61 0.44 -0.29 0.00 0.00 0.00 178.15 178.94 1uhr h ILE 33 N -0.48 0.83 0.66 -0.67 2.10 -0.71 -1.19 117.51 118.05 1uhr h ILE 33 Ca -0.35 -0.24 -0.03 0.00 1.08 0.00 0.00 64.86 65.32 1uhr h ILE 33 Cb 1.65 0.07 0.01 0.00 -1.09 0.00 0.00 36.82 37.45 1uhr h ILE 33 CO -0.04 0.13 -0.32 1.56 -1.08 0.00 0.00 178.15 178.40 1uhr h GLN 34 N 0.70 -0.85 -1.58 2.19 1.08 -1.71 0.14 115.11 115.08 1uhr h GLN 34 Ca 0.42 0.06 0.46 0.00 -1.45 0.00 0.00 58.65 58.13 1uhr h GLN 34 Cb 0.48 0.19 -0.06 0.00 -0.05 0.00 0.00 27.48 28.04 1uhr h GLN 34 CO -0.29 -0.57 1.26 0.00 -0.95 0.00 0.00 178.83 178.27 1uhr h ALA 35 N -1.39 3.49 0.00 3.87 0.00 -1.37 1.36 119.26 125.22 1uhr h ALA 35 Ca -0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1uhr h ALA 35 Cb 0.68 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1uhr h ALA 35 CO 0.15 -2.07 -0.19 1.25 0.00 0.00 0.00 179.25 178.39 1uhr h LEU 36 N 0.00 0.00 -0.60 0.00 5.85 -0.83 -3.21 115.31 116.52 1uhr h LEU 36 Ca 0.75 -0.89 0.10 0.00 0.84 0.00 0.00 57.88 58.68 1uhr h LEU 36 Cb 3.26 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 44.21 1uhr h LEU 36 CO -0.01 1.05 0.18 -0.50 -0.34 0.00 0.00 178.44 178.83 1uhr h TRP 37 N -1.00 0.31 0.00 1.25 4.06 0.44 1.12 115.95 122.12 1uhr h TRP 37 Ca -0.05 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.93 1uhr h TRP 37 Cb 1.01 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 29.12 1uhr h TRP 37 CO 0.24 0.04 0.02 0.94 -3.56 0.00 0.00 178.44 176.12 1uhr n GLN 38 N -5.06 0.14 -0.05 0.49 -0.06 0.19 -1.19 117.38 111.84 1uhr n GLN 38 Ca 0.09 0.64 -0.20 0.00 -2.00 0.00 0.00 57.00 55.53 1uhr n GLN 38 Cb 0.30 -1.98 -0.13 0.00 -4.06 0.00 0.00 30.24 24.37 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 0.13 -1.52 116.97 124.48 1uhr h TYR 39 Ca 0.00 -0.13 -0.02 0.00 2.58 0.00 0.00 58.73 61.16 1uhr h TYR 39 Cb 0.03 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.30 1uhr h TYR 39 CO 0.00 1.38 -0.11 0.82 -1.32 0.00 0.00 178.16 178.93 1uhr h ILE 40 N -0.73 0.43 0.00 1.81 2.04 -0.37 1.73 117.51 122.43 1uhr h ILE 40 Ca -0.23 -0.58 -0.09 0.00 1.00 0.00 0.00 64.86 64.96 1uhr h ILE 40 Cb 1.40 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 1uhr h ILE 40 CO -0.05 0.11 -0.51 0.11 0.00 0.00 0.00 178.15 177.81 1uhr h LYS 41 N 0.00 0.00 -0.34 2.37 1.57 -1.26 0.80 116.57 119.71 1uhr h LYS 41 Ca -0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1uhr h LYS 41 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1uhr h LYS 41 CO 0.01 0.86 -0.21 1.15 -0.57 0.00 0.00 179.45 180.69 1uhr h THR 42 N -1.00 1.29 -0.05 -0.16 2.02 -1.08 -2.48 112.91 111.45 1uhr h THR 42 Ca -0.13 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 65.69 1uhr h THR 42 Cb 1.01 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 1uhr h THR 42 CO -0.08 0.44 0.00 1.41 0.37 0.00 0.00 175.52 177.66 1uhr n HIS 43 N -4.28 0.06 -4.02 3.16 8.25 0.59 -4.92 115.22 114.05 1uhr n HIS 43 Ca -0.03 -0.03 -0.41 0.00 -0.26 0.00 0.00 57.72 56.99 1uhr n HIS 43 Cb 0.43 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.55 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 -0.29 -0.64 0.00 -0.41 4.76 -0.66 -4.79 118.16 116.13 1uhr n LYS 44 Ca 0.18 0.16 0.15 0.00 -2.87 0.00 0.00 58.31 55.93 1uhr n LYS 44 Cb 0.22 -3.03 0.75 0.00 -1.84 0.00 0.00 35.03 31.13 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 -4.82 0.08 -4.67 -0.35 4.77 0.27 -4.86 117.00 107.42 1uhr n LEU 45 Ca -0.14 0.21 -0.51 0.00 -0.03 0.00 0.00 56.01 55.54 1uhr n LEU 45 Cb 0.59 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.38 1uhr n LEU 45 CO 0.74 0.02 1.27 1.67 -1.33 0.00 0.00 177.39 179.76 1uhr n GLN 46 N -1.20 1.68 -1.68 3.23 7.27 -1.23 -0.22 117.38 125.23 1uhr n GLN 46 Ca 0.15 0.61 -0.45 0.00 0.07 0.00 0.00 57.00 57.38 1uhr n GLN 46 Cb 0.24 -2.36 -0.04 0.00 2.41 0.00 0.00 30.24 30.49 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 4.84 3.25 0.07 1.69 2.03 -0.76 -4.66 116.55 123.01 1uhr n ASP 47 Ca 0.22 1.09 0.12 0.00 0.52 0.00 0.00 54.79 56.73 1uhr n ASP 47 Cb 0.23 -1.46 0.46 0.00 -0.72 0.00 0.00 41.12 39.62 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 3.32 0.13 -0.08 -0.67 -0.04 -1.26 -3.46 135.00 132.94 1uhr n PRO 48 Ca 0.16 0.24 -0.12 0.00 -0.04 0.00 0.00 63.50 63.73 1uhr n PRO 48 Cb 0.30 -1.70 -0.07 0.00 -0.04 0.00 0.00 33.50 32.00 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 -5.32 0.54 3.86 -1.97 -3.48 115.15 108.78 1uhr h HIS 49 Ca 0.00 0.00 -0.40 0.00 -1.16 0.00 0.00 60.37 58.81 1uhr h HIS 49 Cb 0.48 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.92 1uhr h HIS 49 CO 0.00 0.74 -0.18 0.39 0.86 0.00 0.00 177.93 179.74 1uhr n GLU 50 N -4.57 0.92 -0.00 2.45 -0.58 -1.22 -5.05 120.64 112.58 1uhr n GLU 50 Ca -0.16 -2.37 0.01 0.00 -0.42 0.00 0.00 57.16 54.21 1uhr n GLU 50 Cb 0.42 0.23 -0.01 0.00 -0.57 0.00 0.00 31.44 31.52 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 -1.42 6.24 -0.01 3.49 5.12 -1.26 -4.30 116.66 124.50 1uhr n ARG 51 Ca -0.01 -0.00 0.08 0.00 -1.93 0.00 0.00 57.85 55.99 1uhr n ARG 51 Cb 0.43 -0.58 -0.14 0.00 -1.16 0.00 0.00 32.46 31.01 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 -1.06 0.60 -2.45 5.56 0.00 -1.26 -4.94 120.64 117.09 1uhr n GLU 52 Ca 0.00 -0.15 -0.24 0.00 0.00 0.00 0.00 57.16 56.77 1uhr n GLU 52 Cb 0.02 -1.43 0.05 0.00 0.00 0.00 0.00 31.44 30.08 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 -3.19 3.01 -0.13 -1.84 0.40 -1.26 0.02 117.98 114.98 1uhr s PHE 53 Ca -0.07 0.34 -0.05 0.00 -0.60 0.00 0.00 56.93 56.55 1uhr s PHE 53 Cb 0.11 -2.88 0.07 0.00 0.51 0.00 0.00 43.02 40.83 1uhr s PHE 53 CO 0.74 -1.02 0.28 0.54 0.70 0.00 0.00 175.22 176.46 1uhr s VAL 54 N -2.98 -0.43 -0.58 -0.44 0.11 0.96 -1.84 120.40 115.20 1uhr s VAL 54 Ca 0.57 0.27 -0.27 0.00 -2.93 0.00 0.00 61.98 59.62 1uhr s VAL 54 Cb -0.10 -0.46 0.03 0.00 -1.53 0.00 0.00 36.38 34.32 1uhr s VAL 54 CO 0.42 0.11 1.13 -0.76 -3.33 0.00 0.00 175.10 172.68 1uhr s LEU 55 N 2.43 3.62 0.23 2.54 1.43 0.70 -2.95 118.68 126.67 1uhr s LEU 55 Ca 0.01 -0.07 -0.32 0.00 -1.03 0.00 0.00 54.13 52.73 1uhr s LEU 55 Cb -0.12 -3.03 -0.13 0.00 0.03 0.00 0.00 46.19 42.95 1uhr s LEU 55 CO -0.09 -1.44 1.57 0.00 0.23 0.00 0.00 176.35 176.62 1uhr s ASP 57 N 0.67 0.37 0.21 0.00 1.47 -1.26 -4.27 116.67 113.87 1uhr s ASP 57 Ca 0.71 0.63 -0.11 0.00 1.18 0.00 0.00 52.55 54.95 1uhr s ASP 57 Cb -0.58 -0.86 0.28 0.00 -0.34 0.00 0.00 42.92 41.43 1uhr s ASP 57 CO 0.43 -4.46 1.66 0.50 0.68 0.00 0.00 175.17 173.98 1uhr h LYS 58 N -2.81 0.09 0.97 2.11 3.64 -1.97 1.48 116.57 120.08 1uhr h LYS 58 Ca -0.44 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 58.89 1uhr h LYS 58 Cb 1.30 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 33.11 1uhr h LYS 58 CO 0.31 0.06 -0.47 1.88 -2.27 0.00 0.00 179.45 178.96 1uhr h TYR 59 N 0.10 -1.21 -0.86 1.91 0.05 -1.99 -2.45 116.97 112.52 1uhr h TYR 59 Ca 0.32 -0.03 0.13 0.00 0.05 0.00 0.00 58.73 59.20 1uhr h TYR 59 Cb 0.51 0.40 -0.09 0.00 1.01 0.00 0.00 36.73 38.56 1uhr h TYR 59 CO -0.38 -0.75 0.47 -0.07 -1.05 0.00 0.00 178.16 176.38 1uhr h LEU 60 N -1.31 0.62 -2.12 3.88 3.38 -1.71 0.77 115.31 118.82 1uhr h LEU 60 Ca -0.13 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1uhr h LEU 60 Cb 1.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1uhr h LEU 60 CO 0.22 0.29 0.16 1.56 0.09 0.00 0.00 178.44 180.77 1uhr h GLN 61 N 0.71 0.00 0.00 1.13 4.20 0.23 1.79 115.11 123.17 1uhr h GLN 61 Ca 0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.16 1uhr h GLN 61 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1uhr h GLN 61 CO -0.32 0.00 -1.42 1.04 -0.67 0.00 0.00 178.83 177.46 1uhr n GLN 62 N -2.75 0.31 -0.08 1.46 1.13 0.26 -2.99 117.38 114.71 1uhr n GLN 62 Ca -0.02 -0.08 -0.09 0.00 -1.94 0.00 0.00 57.00 54.87 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 -1.87 1.48 0.05 5.09 5.41 0.26 -4.67 119.36 125.10 1uhr n ILE 63 Ca 0.00 0.15 -0.15 0.00 1.00 0.00 0.00 62.75 63.75 1uhr n ILE 63 Cb 0.44 -2.28 -0.06 0.00 -0.71 0.00 0.00 39.64 37.04 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 -0.92 0.79 -1.54 1.39 0.04 0.21 -3.48 116.94 113.43 1uhr h PHE 64 Ca -0.01 -0.41 -0.23 0.00 2.80 0.00 0.00 57.97 60.12 1uhr h PHE 64 Cb 0.93 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.96 1uhr h PHE 64 CO -0.39 1.23 -0.29 0.39 -0.60 0.00 0.00 178.31 178.65 1uhr n GLU 65 N -3.81 -0.92 -3.85 1.51 1.02 -1.06 -4.99 120.64 108.54 1uhr n GLU 65 Ca -0.08 0.60 -0.30 0.00 -0.02 0.00 0.00 57.16 57.36 1uhr n GLU 65 Cb 0.83 -4.74 -0.15 0.00 -0.02 0.00 0.00 31.44 27.36 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 -2.52 4.29 0.27 1.62 0.01 -1.26 -4.98 113.70 111.13 1uhr s SER 66 Ca 0.00 -2.01 -0.00 0.00 1.31 0.00 0.00 55.95 55.25 1uhr s SER 66 Cb 0.00 -1.21 0.62 0.00 0.21 0.00 0.00 66.02 65.64 1uhr s SER 66 CO 0.00 -0.38 1.67 0.06 0.41 0.00 0.00 173.24 175.00 1uhr h GLN 67 N 7.69 0.26 -3.23 12.44 3.07 -1.92 -3.33 115.11 130.09 1uhr h GLN 67 Ca -0.08 -0.02 -0.30 0.00 0.09 0.00 0.00 58.65 58.34 1uhr h GLN 67 Cb 1.00 -0.06 -0.35 0.00 0.08 0.00 0.00 27.48 28.15 1uhr h GLN 67 CO 0.50 0.17 -0.66 0.50 0.09 0.00 0.00 178.83 179.43 1uhr s ARG 68 N -5.97 0.02 0.14 0.06 3.52 -1.26 -2.86 118.95 112.60 1uhr s ARG 68 Ca -0.12 0.43 -0.00 0.00 -0.13 0.00 0.00 55.73 55.90 1uhr s ARG 68 Cb 0.24 -0.29 -0.04 0.00 -1.56 0.00 0.00 34.95 33.30 1uhr s ARG 68 CO 0.77 -0.26 0.05 0.00 -0.81 0.00 0.00 175.30 175.05 1uhr s MET 69 N 1.83 0.97 0.20 5.12 0.23 -1.15 -4.97 119.30 121.52 1uhr s MET 69 Ca -0.01 -1.47 -0.20 0.00 -1.03 0.00 0.00 55.69 52.99 1uhr s MET 69 Cb -0.12 0.14 -0.08 0.00 -1.53 0.00 0.00 34.83 33.24 1uhr s MET 69 CO -0.05 -0.24 0.70 0.15 -2.03 0.00 0.00 175.02 173.55 1uhr s LYS 70 N -4.03 4.25 0.54 3.16 1.02 -1.26 -0.02 119.74 123.40 1uhr s LYS 70 Ca 0.25 0.85 0.27 0.00 0.02 0.00 0.00 55.97 57.35 1uhr s LYS 70 Cb 0.07 -2.94 1.44 0.00 -0.52 0.00 0.00 37.83 35.88 1uhr s LYS 70 CO 0.03 0.44 1.98 0.74 -0.92 0.00 0.00 175.35 177.61 1uhr h PHE 71 N 3.59 0.00 0.00 3.18 0.04 -0.71 1.12 116.94 124.16 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 0.64 0.00 0.00 0.45 -0.60 0.00 0.00 178.31 178.80 1uhr n SER 72 N -4.22 0.31 -0.88 2.17 2.88 -1.26 -2.37 113.62 110.25 1uhr n SER 72 Ca 0.10 0.54 0.12 0.00 -1.33 0.00 0.00 58.87 58.29 1uhr n SER 72 Cb 0.62 -0.62 0.26 0.00 -0.75 0.00 0.00 64.21 63.72 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 -1.80 2.17 -0.01 -1.46 -0.58 0.38 -4.14 120.64 115.21 1uhr n GLU 73 Ca 0.06 -1.74 -0.16 0.00 -0.42 0.00 0.00 57.16 54.89 1uhr n GLU 73 Cb 0.33 -1.47 -0.11 0.00 -0.57 0.00 0.00 31.44 29.62 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 3.76 1.47 0.00 -3.67 1.08 -1.29 -2.43 117.51 116.43 1uhr h ILE 74 Ca 0.00 -2.01 0.00 0.00 -0.39 0.00 0.00 64.86 62.46 1uhr h ILE 74 Cb 0.81 2.63 0.00 0.00 -3.07 0.00 0.00 36.82 37.20 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 -4.33 0.08 0.04 2.37 -0.04 -1.26 -1.37 135.00 130.48 1uhr n PRO 75 Ca -0.10 0.19 0.11 0.00 -0.04 0.00 0.00 63.50 63.66 1uhr n PRO 75 Cb 0.60 -1.61 0.02 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.75 0.37 -0.01 0.54 6.02 -1.19 -3.99 117.38 117.37 1uhr n GLN 76 Ca 0.05 0.01 0.09 0.00 -0.01 0.00 0.00 57.00 57.14 1uhr n GLN 76 Cb 0.28 -1.64 -0.14 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 -2.13 0.65 -0.22 -1.09 3.00 -0.92 -4.34 116.66 111.61 1uhr n ARG 77 Ca 0.01 -0.14 -0.08 0.00 -0.01 0.00 0.00 57.85 57.63 1uhr n ARG 77 Cb 0.47 -1.42 0.04 0.00 0.00 0.00 0.00 32.46 31.54 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 1.05 -1.64 0.55 3.38 -1.35 -2.41 115.31 114.89 1uhr h LEU 78 Ca 0.00 -0.28 0.44 0.00 0.09 0.00 0.00 57.88 58.13 1uhr h LEU 78 Cb 0.77 -0.28 -0.10 0.00 0.09 0.00 0.00 40.66 41.14 1uhr h LEU 78 CO 0.00 1.08 0.98 0.45 0.09 0.00 0.00 178.44 181.03 1uhr h HIS 79 N 1.00 0.33 -0.03 1.13 3.86 -1.76 1.69 115.15 121.37 1uhr h HIS 79 Ca 0.18 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.35 1uhr h HIS 79 Cb 0.51 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.91 1uhr h HIS 79 CO 0.04 -0.10 -0.20 0.00 0.86 0.00 0.00 177.93 178.53 1uhr h ALA 80 N 1.43 0.07 0.00 2.45 0.00 -1.71 -2.99 119.26 118.51 1uhr h ALA 80 Ca 0.79 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1uhr h ALA 80 Cb 2.73 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.52 1uhr h ALA 80 CO -0.24 0.05 0.00 -0.07 0.00 0.00 0.00 179.25 178.98 1uhr h LEU 81 N -0.40 0.00 -9.09 0.00 3.38 0.15 -3.41 115.31 105.95 1uhr h LEU 81 Ca -0.02 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.34 1uhr h LEU 81 Cb 0.87 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.49 1uhr h LEU 81 CO 0.04 0.00 -0.29 -0.76 0.09 0.00 0.00 178.44 177.52 1uhr s LEU 82 N -5.19 4.12 0.25 1.67 1.43 0.48 -1.32 118.68 120.11 1uhr s LEU 82 Ca 0.02 0.36 0.11 0.00 -1.03 0.00 0.00 54.13 53.60 1uhr s LEU 82 Cb 0.09 -2.39 -0.05 0.00 0.03 0.00 0.00 46.19 43.87 1uhr s LEU 82 CO 0.43 -0.06 -0.20 -0.04 0.23 0.00 0.00 176.35 176.71 1uhr s MET 83 N 1.40 1.61 -0.33 1.70 -1.94 0.14 -4.80 119.30 117.08 1uhr s MET 83 Ca 0.15 -1.69 -0.29 0.00 -1.71 0.00 0.00 55.69 52.15 1uhr s MET 83 Cb -0.15 -1.73 0.00 0.00 2.01 0.00 0.00 34.83 34.96 1uhr s MET 83 CO 0.07 0.33 1.37 -1.25 -0.01 0.00 0.00 175.02 175.54 1uhr s PRO 84 N -3.31 3.79 -0.61 2.03 0.04 -1.26 0.61 135.00 136.30 1uhr s PRO 84 Ca 0.27 1.19 -0.06 0.00 0.04 0.00 0.00 61.00 62.44 1uhr s PRO 84 Cb -0.05 -3.94 -0.14 0.00 0.04 0.00 0.00 34.50 30.41 1uhr s PRO 84 CO 0.13 -1.28 2.66 -0.35 0.04 0.00 0.00 177.00 178.20 1uhr n PRO 85 N 7.60 2.14 -4.12 0.56 -0.04 -1.26 -4.79 135.00 135.08 1uhr n PRO 85 Ca 0.16 -1.26 -0.10 0.00 -0.04 0.00 0.00 63.50 62.25 1uhr n PRO 85 Cb 0.47 -2.23 -0.10 0.00 -0.04 0.00 0.00 33.50 31.59 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 2.18 0.68 -0.08 0.54 -1.05 -1.26 -5.04 118.70 114.68 1uhr s GLU 86 Ca 0.51 -1.12 -0.27 0.00 -0.15 0.00 0.00 54.97 53.94 1uhr s GLU 86 Cb 0.19 -0.13 -0.23 0.00 -0.44 0.00 0.00 34.13 33.51 1uhr s GLU 86 CO -0.02 -0.02 1.02 -1.00 0.95 0.00 0.00 175.26 176.19 1uhr h PRO 87 N 3.49 0.02 -4.10 -4.83 0.13 -2.06 -3.50 132.00 121.16 1uhr h PRO 87 Ca -0.35 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1uhr h PRO 87 Cb 1.17 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.24 1uhr h PRO 87 CO 0.57 0.77 -0.91 0.45 -0.23 0.00 0.00 178.00 178.65 1uhr n SER 88 N -4.71 -2.28 -4.51 1.44 2.88 -1.26 -4.97 113.62 100.22 1uhr n SER 88 Ca -0.09 0.91 -0.31 0.00 -1.33 0.00 0.00 58.87 58.05 1uhr n SER 88 Cb 0.38 -3.64 0.17 0.00 -0.75 0.00 0.00 64.21 60.37 1uhr n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uhr n GLY 89 N 1.08 -1.44 2.66 0.46 0.00 -1.26 -4.79 105.19 101.91 1uhr n GLY 89 Ca -0.21 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 1uhr n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uhr n PRO 90 N -3.32 2.52 -2.85 1.61 -0.04 -1.26 -4.85 135.00 126.81 1uhr n PRO 90 Ca 0.07 -1.94 -0.43 0.00 -0.04 0.00 0.00 63.50 61.16 1uhr n PRO 90 Cb 0.54 -2.80 -0.03 0.00 -0.04 0.00 0.00 33.50 31.17 1uhr n PRO 90 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1uhr s SER 91 N 3.39 6.34 0.88 3.54 0.01 -1.26 -5.02 113.70 121.59 1uhr s SER 91 Ca 0.52 -1.34 -0.10 0.00 1.31 0.00 0.00 55.95 56.34 1uhr s SER 91 Cb 0.14 -2.43 0.12 0.00 0.21 0.00 0.00 66.02 64.06 1uhr s SER 91 CO -0.02 -1.34 1.12 -0.55 0.41 0.00 0.00 173.24 172.86 1uhr s SER 92 N 3.77 3.35 0.00 2.44 0.15 -1.26 -5.25 113.70 116.89 1uhr s SER 92 Ca 0.28 2.03 0.13 0.00 0.70 0.00 0.00 55.95 59.08 1uhr s SER 92 Cb -0.11 -2.53 0.10 0.00 -1.71 0.00 0.00 66.02 61.77 1uhr s SER 92 CO 0.03 -2.81 0.90 0.61 1.20 0.00 0.00 173.24 173.17