#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 -6.29 -3.69 1.61 2.88 -1.26 -5.05 113.62 101.82 1uhr n SER 2 Ca 0.00 1.14 -0.14 0.00 -1.33 0.00 0.00 58.87 58.54 1uhr n SER 2 Cb 0.00 -4.13 -0.07 0.00 -0.75 0.00 0.00 64.21 59.26 1uhr n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1uhr s SER 3 N -1.18 -0.30 0.00 -3.46 1.04 -1.26 -5.09 113.70 103.45 1uhr s SER 3 Ca -0.05 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.54 1uhr s SER 3 Cb 0.00 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1uhr s SER 3 CO 0.54 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.81 1uhr n GLY 4 N 0.93 -1.76 1.45 7.32 0.00 -1.26 -5.05 105.19 106.83 1uhr n GLY 4 Ca -0.20 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 0.55 -4.56 1.61 2.88 -1.26 -5.08 113.62 107.77 1uhr n SER 5 Ca 0.00 0.29 -0.40 0.00 -1.33 0.00 0.00 58.87 57.43 1uhr n SER 5 Cb 0.00 -0.02 0.02 0.00 -0.75 0.00 0.00 64.21 63.47 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 -3.47 0.35 -4.60 -3.46 7.64 -1.26 -4.91 113.62 103.90 1uhr n SER 6 Ca 0.00 0.91 -0.30 0.00 1.01 0.00 0.00 58.87 60.49 1uhr n SER 6 Cb 0.00 -1.28 0.20 0.00 -1.01 0.00 0.00 64.21 62.12 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 1.42 -0.94 3.09 0.23 0.00 -1.26 -4.33 105.19 103.40 1uhr n GLY 7 Ca 0.11 -0.87 -0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -4.48 -1.02 -1.57 1.61 6.02 -1.26 -4.92 117.38 111.77 1uhr n GLN 8 Ca 0.09 1.21 -0.31 0.00 -0.01 0.00 0.00 57.00 57.99 1uhr n GLN 8 Cb 0.53 -1.73 0.06 0.00 1.02 0.00 0.00 30.24 30.11 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 -0.95 2.80 -0.56 -1.09 0.04 -1.26 -4.96 135.00 129.03 1uhr s PRO 9 Ca -0.01 0.90 -0.28 0.00 0.04 0.00 0.00 61.00 61.66 1uhr s PRO 9 Cb 0.00 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.57 1uhr s PRO 9 CO 0.14 -1.18 1.50 -1.25 0.04 0.00 0.00 177.00 176.24 1uhr s PRO 10 N -5.06 3.21 -0.15 0.56 0.04 -1.26 -4.98 135.00 127.35 1uhr s PRO 10 Ca 0.58 0.52 -0.01 0.00 0.04 0.00 0.00 61.00 62.13 1uhr s PRO 10 Cb -0.14 -4.17 -0.01 0.00 0.04 0.00 0.00 34.50 30.22 1uhr s PRO 10 CO 0.55 -2.04 -0.10 -0.65 0.04 0.00 0.00 177.00 174.79 1uhr s GLN 11 N 5.73 3.41 0.20 4.56 1.11 -1.26 -3.80 119.66 129.61 1uhr s GLN 11 Ca 0.56 -0.65 0.08 0.00 0.01 0.00 0.00 55.36 55.35 1uhr s GLN 11 Cb -0.12 -2.75 -0.04 0.00 -1.01 0.00 0.00 33.01 29.09 1uhr s GLN 11 CO 0.25 0.12 -0.01 -0.06 0.01 0.00 0.00 175.29 175.60 1uhr s PHE 12 N 0.62 2.78 -0.09 0.91 0.40 0.16 -4.64 117.98 118.11 1uhr s PHE 12 Ca -0.06 -0.17 -0.19 0.00 -0.60 0.00 0.00 56.93 55.91 1uhr s PHE 12 Cb -0.15 -1.32 -0.04 0.00 0.51 0.00 0.00 43.02 42.02 1uhr s PHE 12 CO 0.03 0.54 0.52 0.21 0.70 0.00 0.00 175.22 177.23 1uhr s LYS 13 N -3.16 4.34 0.33 0.44 2.20 0.24 -2.91 119.74 121.22 1uhr s LYS 13 Ca 0.28 0.55 -0.22 0.00 -0.36 0.00 0.00 55.97 56.23 1uhr s LYS 13 Cb -0.08 -3.42 -0.10 0.00 -1.51 0.00 0.00 37.83 32.72 1uhr s LYS 13 CO 0.19 0.19 0.88 -0.51 -0.36 0.00 0.00 175.35 175.73 1uhr s LEU 14 N 0.50 4.19 1.13 5.43 1.43 -1.18 0.64 118.68 130.82 1uhr s LEU 14 Ca 0.28 1.64 -0.13 0.00 -1.03 0.00 0.00 54.13 54.89 1uhr s LEU 14 Cb -0.16 -4.09 0.24 0.00 0.03 0.00 0.00 46.19 42.21 1uhr s LEU 14 CO 0.12 -0.15 0.90 -0.67 0.23 0.00 0.00 176.35 176.79 1uhr n ASP 15 N 0.12 -1.53 0.16 2.29 2.03 -0.44 -4.45 116.55 114.73 1uhr n ASP 15 Ca 0.03 -0.06 0.13 0.00 0.52 0.00 0.00 54.79 55.41 1uhr n ASP 15 Cb 0.52 -1.26 0.45 0.00 -0.72 0.00 0.00 41.12 40.11 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 -2.49 0.00 0.00 -0.67 0.13 -1.96 1.04 132.00 128.05 1uhr h PRO 16 Ca -0.58 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.30 1uhr h PRO 16 Cb 1.33 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.41 1uhr h PRO 16 CO 0.46 0.00 -2.06 0.54 -0.23 0.00 0.00 178.00 176.71 1uhr n ARG 17 N -2.52 0.66 -0.09 0.86 1.74 -1.26 -4.31 116.66 111.74 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 0.36 -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 -2.71 2.08 -0.70 0.55 7.94 -1.14 -2.59 117.00 120.42 1uhr n LEU 18 Ca -0.21 0.34 0.53 0.00 -1.11 0.00 0.00 56.01 55.56 1uhr n LEU 18 Cb 0.97 -0.97 0.82 0.00 0.53 0.00 0.00 43.42 44.78 1uhr n LEU 18 CO 0.44 0.47 1.49 0.00 -1.11 0.00 0.00 177.39 178.68 1uhr h ALA 19 N -0.46 3.85 0.06 1.96 0.00 0.93 1.28 119.26 126.87 1uhr h ALA 19 Ca -0.44 -0.07 -0.38 0.00 0.00 0.00 0.00 54.91 54.03 1uhr h ALA 19 Cb 1.53 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.42 1uhr h ALA 19 CO -0.19 -2.41 -2.24 2.89 0.00 0.00 0.00 179.25 177.30 1uhr n ARG 20 N -3.95 0.71 -0.03 0.00 1.85 -1.26 -1.78 116.66 112.19 1uhr n ARG 20 Ca 0.44 0.20 -0.14 0.00 -1.00 0.00 0.00 57.85 57.36 1uhr n ARG 20 Cb 2.00 -1.62 -0.09 0.00 -1.05 0.00 0.00 32.46 31.70 1uhr n ARG 20 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1uhr h LEU 21 N 0.04 -1.61 0.10 2.89 5.85 0.18 -2.72 115.31 120.04 1uhr h LEU 21 Ca -0.50 0.19 -0.29 0.00 0.84 0.00 0.00 57.88 58.12 1uhr h LEU 21 Cb 1.97 0.63 -0.01 0.00 0.37 0.00 0.00 40.66 43.62 1uhr h LEU 21 CO 0.00 -0.43 -1.44 -0.07 -0.34 0.00 0.00 178.44 176.15 1uhr h LEU 22 N -0.51 0.33 0.00 2.25 3.38 -1.25 -3.48 115.31 116.04 1uhr h LEU 22 Ca 0.03 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1uhr h LEU 22 Cb 0.61 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1uhr h LEU 22 CO -0.42 1.36 0.00 0.61 0.09 0.00 0.00 178.44 180.08 1uhr n GLY 23 N 1.61 0.80 3.36 0.83 0.00 -0.74 -5.03 105.19 106.01 1uhr n GLY 23 Ca -0.14 -0.22 -0.45 0.00 0.00 0.00 0.00 46.02 45.22 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 4.94 0.04 -0.61 1.01 -0.98 -4.92 121.20 118.67 1uhr s ILE 24 Ca 0.00 -1.17 -0.12 0.00 0.00 0.00 0.00 60.65 59.36 1uhr s ILE 24 Cb 0.00 -4.46 -0.05 0.00 0.01 0.00 0.00 42.46 37.97 1uhr s ILE 24 CO 0.00 -1.06 1.19 0.45 0.00 0.00 0.00 174.94 175.52 1uhr h HIS 25 N 9.08 -0.55 -2.55 3.97 3.86 -1.96 -3.41 115.15 123.58 1uhr h HIS 25 Ca -0.28 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 58.84 1uhr h HIS 25 Cb 1.09 0.24 -0.28 0.00 1.06 0.00 0.00 27.41 29.52 1uhr h HIS 25 CO 0.82 -0.20 -0.37 0.99 0.86 0.00 0.00 177.93 180.02 1uhr s THR 26 N -3.96 -0.57 0.00 2.45 2.01 -1.26 -3.09 115.64 111.22 1uhr s THR 26 Ca -0.06 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1uhr s THR 26 Cb 0.02 -0.65 0.00 0.00 0.01 0.00 0.00 72.50 71.89 1uhr s THR 26 CO 0.21 0.07 0.00 0.00 -0.69 0.00 0.00 174.62 174.21 1uhr n GLN 27 N 5.27 0.00 -0.18 4.92 3.00 -1.15 -4.94 117.38 124.30 1uhr n GLN 27 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 1uhr n GLN 27 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.74 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 -1.26 0.36 114.28 116.22 1uhr n THR 28 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 1uhr n THR 28 Cb 0.00 -1.73 -0.13 0.00 -2.10 0.00 0.00 70.33 66.36 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 0.16 0.00 -0.78 2.43 -1.97 -2.57 114.38 111.65 1uhr h ARG 29 Ca 0.00 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1uhr h ARG 29 Cb 0.00 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1uhr h ARG 29 CO 0.00 1.13 0.00 -0.35 -1.51 0.00 0.00 179.97 179.24 1uhr n PRO 30 N -4.22 0.24 -0.03 0.20 -0.04 -1.26 0.74 135.00 130.63 1uhr n PRO 30 Ca -0.20 0.09 0.05 0.00 -0.04 0.00 0.00 63.50 63.40 1uhr n PRO 30 Cb 0.75 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.34 0.33 -0.09 0.52 0.31 -1.24 -3.88 118.33 112.93 1uhr n VAL 31 Ca 0.09 -0.56 -0.19 0.00 -0.01 0.00 0.00 64.34 63.67 1uhr n VAL 31 Cb 0.20 -0.10 -0.12 0.00 -0.91 0.00 0.00 33.84 32.90 1uhr n VAL 31 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1uhr n ILE 32 N -2.34 1.57 -0.35 2.52 5.41 -0.97 -3.57 119.36 121.62 1uhr n ILE 32 Ca -0.11 -0.58 -0.00 0.00 1.00 0.00 0.00 62.75 63.06 1uhr n ILE 32 Cb 0.69 -1.53 0.13 0.00 -0.71 0.00 0.00 39.64 38.22 1uhr n ILE 32 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 176.55 176.26 1uhr h ILE 33 N -0.03 1.17 0.66 1.39 2.10 0.10 -1.68 117.51 121.21 1uhr h ILE 33 Ca -0.54 -0.41 -0.03 0.00 1.08 0.00 0.00 64.86 64.95 1uhr h ILE 33 Cb 1.92 -0.15 0.01 0.00 -1.09 0.00 0.00 36.82 37.51 1uhr h ILE 33 CO -0.06 0.22 -0.31 1.56 -1.08 0.00 0.00 178.15 178.48 1uhr h GLN 34 N 1.21 -0.85 -1.07 2.19 1.08 -1.75 0.16 115.11 116.08 1uhr h GLN 34 Ca 0.38 0.06 0.31 0.00 -1.45 0.00 0.00 58.65 57.95 1uhr h GLN 34 Cb -0.00 0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 27.58 1uhr h GLN 34 CO -0.12 -0.54 0.97 0.00 -0.95 0.00 0.00 178.83 178.19 1uhr h ALA 35 N -1.06 2.94 0.06 3.87 0.00 -1.56 1.06 119.26 124.57 1uhr h ALA 35 Ca -0.09 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1uhr h ALA 35 Cb 0.70 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1uhr h ALA 35 CO 0.15 -1.52 -0.65 1.25 0.00 0.00 0.00 179.25 178.48 1uhr h LEU 36 N 0.00 0.19 -0.75 0.00 5.85 -0.92 -3.20 115.31 116.48 1uhr h LEU 36 Ca 0.51 -0.89 0.09 0.00 0.84 0.00 0.00 57.88 58.43 1uhr h LEU 36 Cb 2.43 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 43.33 1uhr h LEU 36 CO -0.01 1.29 0.40 -0.50 -0.34 0.00 0.00 178.44 179.28 1uhr h TRP 37 N -0.71 0.72 0.00 1.25 4.06 0.38 0.83 115.95 122.48 1uhr h TRP 37 Ca -0.14 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.84 1uhr h TRP 37 Cb 1.35 -0.21 0.00 0.00 -1.00 0.00 0.00 29.16 29.30 1uhr h TRP 37 CO 0.20 0.28 0.00 0.94 -3.56 0.00 0.00 178.44 176.31 1uhr n GLN 38 N -4.81 0.15 -0.00 0.49 7.27 0.17 -1.64 117.38 119.01 1uhr n GLN 38 Ca 0.12 0.57 -0.20 0.00 0.07 0.00 0.00 57.00 57.56 1uhr n GLN 38 Cb 0.27 -1.92 -0.14 0.00 2.41 0.00 0.00 30.24 30.86 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 0.36 0.00 3.69 5.03 0.66 -1.04 116.97 125.67 1uhr h TYR 39 Ca 0.00 -0.26 -0.04 0.00 2.58 0.00 0.00 58.73 61.01 1uhr h TYR 39 Cb 0.11 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.37 1uhr h TYR 39 CO 0.00 1.41 -0.17 0.82 -1.32 0.00 0.00 178.16 178.89 1uhr h ILE 40 N -0.50 0.61 0.02 1.81 2.04 -0.67 1.54 117.51 122.36 1uhr h ILE 40 Ca -0.23 -0.78 -0.12 0.00 1.00 0.00 0.00 64.86 64.74 1uhr h ILE 40 Cb 1.57 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 1uhr h ILE 40 CO 0.04 0.17 -0.64 0.11 0.00 0.00 0.00 178.15 177.84 1uhr h LYS 41 N 0.00 0.04 -0.29 2.37 1.57 -1.40 0.36 116.57 119.22 1uhr h LYS 41 Ca -0.00 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.57 1uhr h LYS 41 Cb 0.49 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1uhr h LYS 41 CO 0.02 1.03 -0.40 1.15 -0.57 0.00 0.00 179.45 180.69 1uhr h THR 42 N -0.90 1.29 -0.07 -0.16 2.02 -1.01 -2.56 112.91 111.53 1uhr h THR 42 Ca -0.16 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 65.45 1uhr h THR 42 Cb 1.22 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1uhr h THR 42 CO -0.06 0.51 0.00 1.41 0.37 0.00 0.00 175.52 177.74 1uhr n HIS 43 N -4.04 0.07 -4.10 3.16 8.25 0.52 -4.95 115.22 114.13 1uhr n HIS 43 Ca -0.02 -0.03 -0.46 0.00 -0.26 0.00 0.00 57.72 56.95 1uhr n HIS 43 Cb 0.53 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.65 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 0.48 -0.23 -0.01 -0.41 5.02 -0.11 -4.77 118.16 118.12 1uhr n LYS 44 Ca 0.18 0.04 0.14 0.00 -2.02 0.00 0.00 58.31 56.64 1uhr n LYS 44 Cb 0.41 -2.42 0.66 0.00 -0.02 0.00 0.00 35.03 33.65 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 -5.02 0.78 -4.63 -0.35 4.77 0.11 -4.90 117.00 107.76 1uhr n LEU 45 Ca -0.12 -0.28 -0.49 0.00 -0.03 0.00 0.00 56.01 55.09 1uhr n LEU 45 Cb 0.56 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 1uhr n LEU 45 CO 0.74 0.14 1.05 1.67 -1.33 0.00 0.00 177.39 179.66 1uhr n GLN 46 N -0.36 1.63 -1.93 3.23 7.27 -1.25 -0.31 117.38 125.66 1uhr n GLN 46 Ca 0.20 0.59 -0.42 0.00 0.07 0.00 0.00 57.00 57.43 1uhr n GLN 46 Cb 0.22 -2.29 -0.03 0.00 2.41 0.00 0.00 30.24 30.55 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 0.78 6.59 0.07 1.69 2.15 -0.97 -4.61 116.67 122.37 1uhr s ASP 47 Ca 0.82 2.57 0.23 0.00 0.43 0.00 0.00 52.55 56.60 1uhr s ASP 47 Cb -0.82 -2.58 0.92 0.00 -0.30 0.00 0.00 42.92 40.13 1uhr s ASP 47 CO 0.43 -0.85 1.71 -0.81 -0.17 0.00 0.00 175.17 175.48 1uhr n PRO 48 N 4.57 0.07 -0.08 4.34 -0.04 -1.26 -3.28 135.00 139.32 1uhr n PRO 48 Ca 0.15 0.19 -0.15 0.00 -0.04 0.00 0.00 63.50 63.65 1uhr n PRO 48 Cb 0.39 -1.60 -0.11 0.00 -0.04 0.00 0.00 33.50 32.14 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 -4.58 0.54 3.86 -1.96 -3.48 115.15 109.53 1uhr h HIS 49 Ca 0.00 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.93 1uhr h HIS 49 Cb 0.43 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.85 1uhr h HIS 49 CO 0.00 1.00 -0.18 0.39 0.86 0.00 0.00 177.93 180.00 1uhr n GLU 50 N -4.58 1.36 -0.00 2.45 -0.58 -1.21 -5.06 120.64 113.02 1uhr n GLU 50 Ca -0.15 -1.59 0.01 0.00 -0.42 0.00 0.00 57.16 55.01 1uhr n GLU 50 Cb 0.48 0.35 -0.01 0.00 -0.57 0.00 0.00 31.44 31.69 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 -0.72 2.85 -0.02 3.49 1.85 -1.26 -4.39 116.66 118.47 1uhr n ARG 51 Ca -0.07 -0.01 0.06 0.00 -1.00 0.00 0.00 57.85 56.83 1uhr n ARG 51 Cb 0.28 -0.84 -0.15 0.00 -1.05 0.00 0.00 32.46 30.70 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 -1.34 0.66 -2.41 2.89 0.00 -1.26 -4.94 120.64 114.25 1uhr n GLU 52 Ca -0.00 -0.11 -0.26 0.00 0.00 0.00 0.00 57.16 56.79 1uhr n GLU 52 Cb 0.04 -1.56 0.04 0.00 0.00 0.00 0.00 31.44 29.96 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 -3.25 3.15 -0.14 -1.84 0.40 -1.26 -0.03 117.98 115.01 1uhr s PHE 53 Ca -0.08 0.52 -0.05 0.00 -0.60 0.00 0.00 56.93 56.72 1uhr s PHE 53 Cb 0.12 -2.82 0.07 0.00 0.51 0.00 0.00 43.02 40.89 1uhr s PHE 53 CO 0.88 -0.93 0.29 0.54 0.70 0.00 0.00 175.22 176.70 1uhr s VAL 54 N -3.01 -0.38 -0.34 -0.44 0.11 0.19 -2.29 120.40 114.25 1uhr s VAL 54 Ca 0.55 0.24 -0.28 0.00 -2.93 0.00 0.00 61.98 59.56 1uhr s VAL 54 Cb -0.11 -0.47 0.02 0.00 -1.53 0.00 0.00 36.38 34.29 1uhr s VAL 54 CO 0.44 0.10 1.01 -0.76 -3.33 0.00 0.00 175.10 172.56 1uhr s LEU 55 N 2.23 3.94 0.32 2.54 1.43 0.57 -3.21 118.68 126.51 1uhr s LEU 55 Ca -0.01 0.84 -0.29 0.00 -1.03 0.00 0.00 54.13 53.64 1uhr s LEU 55 Cb -0.12 -3.42 -0.10 0.00 0.03 0.00 0.00 46.19 42.58 1uhr s LEU 55 CO -0.09 -0.87 1.36 0.00 0.23 0.00 0.00 176.35 176.98 1uhr n ASP 57 N 1.04 -1.49 -0.35 0.00 2.03 -1.26 -4.38 116.55 112.15 1uhr n ASP 57 Ca 0.01 -1.08 0.03 0.00 0.52 0.00 0.00 54.79 54.28 1uhr n ASP 57 Cb 0.41 -0.78 0.20 0.00 -0.72 0.00 0.00 41.12 40.24 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 1.08 0.19 -0.67 2.10 -1.97 1.29 116.57 118.59 1uhr h LYS 58 Ca -0.32 -0.07 -0.01 0.00 -2.00 0.00 0.00 60.65 58.26 1uhr h LYS 58 Cb 0.96 -0.24 0.00 0.00 -0.90 0.00 0.00 32.23 32.04 1uhr h LYS 58 CO 0.21 0.72 -0.09 1.88 -2.00 0.00 0.00 179.45 180.17 1uhr h TYR 59 N 1.12 -0.24 -0.75 0.07 0.05 -1.99 -2.93 116.97 112.29 1uhr h TYR 59 Ca 0.42 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.19 1uhr h TYR 59 Cb 0.20 0.08 -0.04 0.00 1.01 0.00 0.00 36.73 37.98 1uhr h TYR 59 CO -0.00 0.14 0.43 -0.07 -1.05 0.00 0.00 178.16 177.60 1uhr h LEU 60 N -0.67 0.92 -2.02 3.88 3.38 -1.78 -0.01 115.31 119.01 1uhr h LEU 60 Ca -0.03 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1uhr h LEU 60 Cb 0.48 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1uhr h LEU 60 CO 0.04 0.74 0.22 1.56 0.09 0.00 0.00 178.44 181.09 1uhr h GLN 61 N 1.03 0.00 0.00 1.13 4.20 0.17 1.92 115.11 123.56 1uhr h GLN 61 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1uhr h GLN 61 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1uhr h GLN 61 CO -0.05 0.00 -1.45 1.04 -0.67 0.00 0.00 178.83 177.70 1uhr n GLN 62 N -2.75 0.35 -0.08 1.46 1.13 -0.09 -2.99 117.38 114.41 1uhr n GLN 62 Ca -0.02 -0.09 -0.09 0.00 -1.94 0.00 0.00 57.00 54.86 1uhr n GLN 62 Cb 0.27 -1.53 -0.03 0.00 0.11 0.00 0.00 30.24 29.06 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 -1.92 1.48 0.06 5.09 5.41 0.32 -4.69 119.36 125.10 1uhr n ILE 63 Ca 0.00 0.14 -0.20 0.00 1.00 0.00 0.00 62.75 63.69 1uhr n ILE 63 Cb 0.46 -2.27 -0.10 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 -0.92 0.99 -1.70 1.39 0.04 0.23 -3.48 116.94 113.49 1uhr h PHE 64 Ca -0.02 -0.56 -0.23 0.00 2.80 0.00 0.00 57.97 59.95 1uhr h PHE 64 Cb 0.94 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.98 1uhr h PHE 64 CO -0.38 1.40 -0.30 0.39 -0.60 0.00 0.00 178.31 178.81 1uhr n GLU 65 N -3.83 -0.99 -3.85 1.51 1.02 -1.04 -4.98 120.64 108.48 1uhr n GLU 65 Ca -0.11 0.56 -0.30 0.00 -0.02 0.00 0.00 57.16 57.29 1uhr n GLU 65 Cb 0.90 -4.71 -0.14 0.00 -0.02 0.00 0.00 31.44 27.47 1uhr n GLU 65 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1uhr s SER 66 N -2.49 4.17 0.29 1.62 0.01 -1.26 -4.97 113.70 111.06 1uhr s SER 66 Ca 0.01 -2.45 0.01 0.00 1.31 0.00 0.00 55.95 54.83 1uhr s SER 66 Cb -0.00 -1.31 0.69 0.00 0.21 0.00 0.00 66.02 65.60 1uhr s SER 66 CO 0.01 -0.31 1.64 0.06 0.41 0.00 0.00 173.24 175.05 1uhr h GLN 67 N 7.12 0.18 -3.11 12.44 3.07 -1.92 -3.32 115.11 129.57 1uhr h GLN 67 Ca -0.06 -0.01 -0.26 0.00 0.09 0.00 0.00 58.65 58.41 1uhr h GLN 67 Cb 0.95 -0.04 -0.34 0.00 0.08 0.00 0.00 27.48 28.13 1uhr h GLN 67 CO 0.55 0.12 -0.60 0.50 0.09 0.00 0.00 178.83 179.48 1uhr s ARG 68 N -5.95 0.07 0.15 0.06 3.52 -1.26 -2.93 118.95 112.61 1uhr s ARG 68 Ca -0.12 0.52 -0.01 0.00 -0.13 0.00 0.00 55.73 56.00 1uhr s ARG 68 Cb 0.26 -0.21 -0.04 0.00 -1.56 0.00 0.00 34.95 33.39 1uhr s ARG 68 CO 0.77 -0.25 0.07 0.00 -0.81 0.00 0.00 175.30 175.07 1uhr s MET 69 N 1.91 1.01 0.17 5.12 0.23 -1.20 -4.98 119.30 121.56 1uhr s MET 69 Ca -0.01 -1.49 -0.20 0.00 -1.03 0.00 0.00 55.69 52.95 1uhr s MET 69 Cb -0.12 0.18 -0.08 0.00 -1.53 0.00 0.00 34.83 33.29 1uhr s MET 69 CO -0.06 -0.27 0.67 0.15 -2.03 0.00 0.00 175.02 173.48 1uhr s LYS 70 N -4.05 4.25 0.66 3.16 1.02 -1.26 -0.63 119.74 122.89 1uhr s LYS 70 Ca 0.27 0.83 0.31 0.00 0.02 0.00 0.00 55.97 57.40 1uhr s LYS 70 Cb 0.07 -3.04 1.68 0.00 -0.52 0.00 0.00 37.83 36.02 1uhr s LYS 70 CO 0.04 0.50 1.95 0.74 -0.92 0.00 0.00 175.35 177.66 1uhr h PHE 71 N 3.86 0.00 0.00 3.18 0.04 -0.76 1.55 116.94 124.81 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 -0.24 0.45 -0.60 0.00 0.00 178.31 178.57 1uhr n SER 72 N -2.93 0.40 -0.87 2.17 2.88 -1.26 -3.06 113.62 110.94 1uhr n SER 72 Ca -0.02 0.25 0.12 0.00 -1.33 0.00 0.00 58.87 57.89 1uhr n SER 72 Cb 0.37 -0.24 0.21 0.00 -0.75 0.00 0.00 64.21 63.80 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 -1.74 2.19 -0.02 -1.46 -0.58 0.53 -4.16 120.64 115.41 1uhr n GLU 73 Ca 0.06 -1.75 -0.16 0.00 -0.42 0.00 0.00 57.16 54.89 1uhr n GLU 73 Cb 0.37 -1.47 -0.10 0.00 -0.57 0.00 0.00 31.44 29.67 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 4.10 1.43 0.00 -3.67 1.08 -1.44 -1.72 117.51 117.29 1uhr h ILE 74 Ca 0.00 -1.91 0.00 0.00 -0.39 0.00 0.00 64.86 62.56 1uhr h ILE 74 Cb 0.88 2.46 0.00 0.00 -3.07 0.00 0.00 36.82 37.09 1uhr h ILE 74 CO 0.00 0.55 0.00 -0.81 -0.69 0.00 0.00 178.15 177.20 1uhr n PRO 75 N -4.31 0.18 0.04 2.37 -0.04 -1.26 -1.21 135.00 130.77 1uhr n PRO 75 Ca -0.09 0.28 0.11 0.00 -0.04 0.00 0.00 63.50 63.76 1uhr n PRO 75 Cb 0.59 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 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 -2.10 0.41 -0.01 0.54 6.02 -1.18 -3.99 117.38 117.07 1uhr n GLN 76 Ca 0.04 0.01 0.10 0.00 -0.01 0.00 0.00 57.00 57.14 1uhr n GLN 76 Cb 0.32 -1.65 -0.16 0.00 1.02 0.00 0.00 30.24 29.77 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 -2.18 0.59 -0.24 -1.09 3.00 -0.65 -4.29 116.66 111.80 1uhr n ARG 77 Ca 0.01 -0.16 -0.07 0.00 -0.01 0.00 0.00 57.85 57.61 1uhr n ARG 77 Cb 0.48 -1.49 0.06 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 1.05 -1.19 0.55 3.38 -1.29 -2.39 115.31 115.41 1uhr h LEU 78 Ca 0.00 -0.23 0.38 0.00 0.09 0.00 0.00 57.88 58.12 1uhr h LEU 78 Cb 0.89 -0.28 -0.14 0.00 0.09 0.00 0.00 40.66 41.22 1uhr h LEU 78 CO 0.00 1.01 0.68 0.45 0.09 0.00 0.00 178.44 180.68 1uhr h HIS 79 N 1.04 0.73 -0.13 1.13 3.86 -1.75 1.77 115.15 121.81 1uhr h HIS 79 Ca 0.21 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 1uhr h HIS 79 Cb 0.38 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.66 1uhr h HIS 79 CO 0.03 -0.21 -0.00 0.00 0.86 0.00 0.00 177.93 178.61 1uhr h ALA 80 N 1.75 0.17 0.00 2.45 0.00 -1.69 -2.40 119.26 119.54 1uhr h ALA 80 Ca 0.77 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.49 1uhr h ALA 80 Cb 2.10 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.84 1uhr h ALA 80 CO -0.53 -0.13 -0.01 -0.07 0.00 0.00 0.00 179.25 178.51 1uhr h LEU 81 N -0.04 0.00 -8.97 0.00 3.38 0.13 -3.41 115.31 106.40 1uhr h LEU 81 Ca 0.04 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.39 1uhr h LEU 81 Cb 0.36 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.99 1uhr h LEU 81 CO 0.01 0.01 -0.02 -0.76 0.09 0.00 0.00 178.44 177.77 1uhr s LEU 82 N -6.23 4.05 0.25 1.67 1.43 0.51 -1.33 118.68 119.03 1uhr s LEU 82 Ca 0.01 0.52 0.11 0.00 -1.03 0.00 0.00 54.13 53.74 1uhr s LEU 82 Cb 0.09 -2.66 -0.05 0.00 0.03 0.00 0.00 46.19 43.60 1uhr s LEU 82 CO 0.55 -0.29 -0.14 -0.04 0.23 0.00 0.00 176.35 176.66 1uhr s MET 83 N 2.31 1.87 -0.27 1.70 -1.94 0.21 -4.77 119.30 118.40 1uhr s MET 83 Ca 0.21 -1.57 -0.29 0.00 -1.71 0.00 0.00 55.69 52.33 1uhr s MET 83 Cb -0.16 -1.94 -0.00 0.00 2.01 0.00 0.00 34.83 34.74 1uhr s MET 83 CO 0.09 0.37 1.33 -1.25 -0.01 0.00 0.00 175.02 175.55 1uhr s PRO 84 N -3.32 3.94 -0.61 2.03 0.04 -1.26 0.79 135.00 136.62 1uhr s PRO 84 Ca 0.28 1.35 -0.06 0.00 0.04 0.00 0.00 61.00 62.61 1uhr s PRO 84 Cb -0.06 -3.88 -0.14 0.00 0.04 0.00 0.00 34.50 30.46 1uhr s PRO 84 CO 0.15 -1.09 2.67 -0.35 0.04 0.00 0.00 177.00 178.43 1uhr n PRO 85 N 7.26 2.14 -4.35 0.56 -0.04 -1.26 -4.82 135.00 134.50 1uhr n PRO 85 Ca 0.15 -1.26 -0.23 0.00 -0.04 0.00 0.00 63.50 62.12 1uhr n PRO 85 Cb 0.46 -2.24 -0.11 0.00 -0.04 0.00 0.00 33.50 31.57 1uhr n PRO 85 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1uhr s GLU 86 N 2.17 1.31 0.00 0.54 2.02 -1.26 -5.06 118.70 118.42 1uhr s GLU 86 Ca 0.52 -1.41 0.00 0.00 0.02 0.00 0.00 54.97 54.10 1uhr s GLU 86 Cb 0.19 -1.44 0.00 0.00 0.10 0.00 0.00 34.13 32.98 1uhr s GLU 86 CO -0.02 0.30 0.00 -0.35 0.02 0.00 0.00 175.26 175.21 1uhr n PRO 87 N 0.37 0.66 0.00 0.39 -0.04 -1.26 -4.38 135.00 130.74 1uhr n PRO 87 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1uhr n PRO 87 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 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 -0.68 0.00 -4.38 3.54 2.88 -1.26 -4.96 113.62 108.76 1uhr n SER 88 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 1uhr n SER 88 Cb 0.00 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 63.70 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 0.00 -2.30 3.57 0.46 0.00 -1.26 -4.81 105.19 100.85 1uhr n GLY 89 Ca 0.00 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 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 -4.14 3.18 0.04 1.61 0.04 -1.26 -4.93 135.00 129.54 1uhr s PRO 90 Ca 0.65 -1.22 0.07 0.00 0.04 0.00 0.00 61.00 60.54 1uhr s PRO 90 Cb -0.22 -5.32 -0.03 0.00 0.04 0.00 0.00 34.50 28.97 1uhr s PRO 90 CO 0.66 -2.98 -0.17 0.45 0.04 0.00 0.00 177.00 174.99 1uhr s SER 91 N 5.82 3.85 0.06 6.66 0.15 -1.26 -5.03 113.70 123.95 1uhr s SER 91 Ca 0.60 -0.41 -0.01 0.00 0.70 0.00 0.00 55.95 56.83 1uhr s SER 91 Cb -0.00 -0.63 -0.00 0.00 -1.71 0.00 0.00 66.02 63.67 1uhr s SER 91 CO 0.04 0.25 -0.01 -0.24 1.20 0.00 0.00 173.24 174.48 1uhr n SER 92 N 1.53 0.86 0.00 5.45 2.88 -1.26 -5.11 113.62 117.97 1uhr n SER 92 Ca -0.16 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1uhr n SER 92 Cb 0.52 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 1uhr n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42