#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 -0.95 0.38 1.61 0.15 -1.26 -5.17 113.70 108.46 1uhr s SER 2 Ca 0.00 0.62 -0.02 0.00 0.70 0.00 0.00 55.95 57.25 1uhr s SER 2 Cb 0.00 1.81 -0.04 0.00 -1.71 0.00 0.00 66.02 66.08 1uhr s SER 2 CO 0.00 -0.18 0.62 -0.94 1.20 0.00 0.00 173.24 173.94 1uhr s SER 3 N 2.90 6.30 0.97 5.45 1.04 -1.26 -5.08 113.70 124.02 1uhr s SER 3 Ca 0.10 0.61 -0.08 0.00 0.48 0.00 0.00 55.95 57.06 1uhr s SER 3 Cb -0.13 -2.10 0.13 0.00 0.10 0.00 0.00 66.02 64.02 1uhr s SER 3 CO -0.16 -0.37 0.29 0.61 0.98 0.00 0.00 173.24 174.59 1uhr n GLY 4 N -1.84 -2.90 3.15 7.32 0.00 -1.26 -5.05 105.19 104.60 1uhr n GLY 4 Ca -0.03 -0.95 0.05 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.12 -1.01 -0.20 1.61 0.15 -1.26 -5.06 113.70 105.81 1uhr s SER 5 Ca 0.23 0.27 -0.06 0.00 0.70 0.00 0.00 55.95 57.08 1uhr s SER 5 Cb -0.04 1.70 0.02 0.00 -1.71 0.00 0.00 66.02 65.99 1uhr s SER 5 CO 0.19 -0.19 0.13 -1.20 1.20 0.00 0.00 173.24 173.37 1uhr n SER 6 N 5.33 -4.04 0.00 5.45 7.64 -1.26 -5.01 113.62 121.73 1uhr n SER 6 Ca 0.03 1.29 0.00 0.00 1.01 0.00 0.00 58.87 61.20 1uhr n SER 6 Cb 0.55 -4.73 0.00 0.00 -1.01 0.00 0.00 64.21 59.02 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 1.43 2.59 3.35 0.23 0.00 -1.26 -5.10 105.19 106.42 1uhr n GLY 7 Ca -0.22 -1.84 -0.45 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.88 0.00 -1.57 1.61 6.02 -1.26 -4.91 117.38 115.40 1uhr n GLN 8 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 1uhr n GLN 8 Cb 0.00 -1.00 0.06 0.00 1.02 0.00 0.00 30.24 30.32 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 -1.00 2.73 -0.82 -1.09 0.04 -1.26 -4.87 135.00 128.74 1uhr s PRO 9 Ca 0.62 0.87 -0.25 0.00 0.04 0.00 0.00 61.00 62.28 1uhr s PRO 9 Cb -0.80 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 31.77 1uhr s PRO 9 CO 0.59 -1.23 1.63 -1.25 0.04 0.00 0.00 177.00 176.78 1uhr s PRO 10 N -5.07 3.00 -0.09 0.56 0.04 -1.26 -4.97 135.00 127.21 1uhr s PRO 10 Ca 0.59 -0.26 -0.02 0.00 0.04 0.00 0.00 61.00 61.35 1uhr s PRO 10 Cb -0.14 -4.74 -0.03 0.00 0.04 0.00 0.00 34.50 29.62 1uhr s PRO 10 CO 0.55 -2.61 -0.01 -0.65 0.04 0.00 0.00 177.00 174.32 1uhr s GLN 11 N 6.18 3.00 0.05 4.56 -0.21 -1.26 -3.75 119.66 128.22 1uhr s GLN 11 Ca 0.54 -0.43 0.09 0.00 0.02 0.00 0.00 55.36 55.59 1uhr s GLN 11 Cb -0.07 -2.78 -0.03 0.00 1.00 0.00 0.00 33.01 31.13 1uhr s GLN 11 CO 0.06 0.67 -0.26 -0.06 -2.12 0.00 0.00 175.29 173.59 1uhr s PHE 12 N -0.80 2.24 0.01 0.91 0.40 0.31 -4.64 117.98 116.40 1uhr s PHE 12 Ca 0.12 -0.41 -0.30 0.00 -0.60 0.00 0.00 56.93 55.75 1uhr s PHE 12 Cb -0.11 -1.34 -0.03 0.00 0.51 0.00 0.00 43.02 42.04 1uhr s PHE 12 CO 0.02 0.13 0.98 0.21 0.70 0.00 0.00 175.22 177.26 1uhr s LYS 13 N -1.26 4.57 0.27 0.44 2.20 0.50 -2.82 119.74 123.64 1uhr s LYS 13 Ca 0.11 1.42 -0.20 0.00 -0.36 0.00 0.00 55.97 56.94 1uhr s LYS 13 Cb -0.10 -3.45 -0.09 0.00 -1.51 0.00 0.00 37.83 32.68 1uhr s LYS 13 CO 0.02 -0.03 0.77 -0.51 -0.36 0.00 0.00 175.35 175.24 1uhr s LEU 14 N 0.93 4.27 1.11 5.43 1.43 -1.17 0.87 118.68 131.55 1uhr s LEU 14 Ca 0.51 1.46 -0.16 0.00 -1.03 0.00 0.00 54.13 54.92 1uhr s LEU 14 Cb -0.21 -3.79 0.16 0.00 0.03 0.00 0.00 46.19 42.38 1uhr s LEU 14 CO 0.28 -0.05 0.44 -0.67 0.23 0.00 0.00 176.35 176.58 1uhr n ASP 15 N 0.42 -1.99 0.17 2.29 2.03 -0.43 -4.38 116.55 114.66 1uhr n ASP 15 Ca -0.00 -0.05 0.13 0.00 0.52 0.00 0.00 54.79 55.40 1uhr n ASP 15 Cb 0.51 -1.11 0.45 0.00 -0.72 0.00 0.00 41.12 40.25 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 -2.20 0.00 0.00 -0.67 0.13 -1.96 1.01 132.00 128.31 1uhr h PRO 16 Ca -0.54 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.33 1uhr h PRO 16 Cb 1.34 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 -2.06 0.54 -0.23 0.00 0.00 178.00 176.67 1uhr n ARG 17 N -2.60 0.66 -0.08 0.86 1.74 -1.26 -4.31 116.66 111.67 1uhr n ARG 17 Ca 0.03 0.04 -0.23 0.00 -0.77 0.00 0.00 57.85 56.93 1uhr n ARG 17 Cb 0.36 -1.61 -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 -2.73 2.15 -0.67 0.55 7.94 -1.15 -2.42 117.00 120.68 1uhr n LEU 18 Ca -0.22 0.32 0.51 0.00 -1.11 0.00 0.00 56.01 55.52 1uhr n LEU 18 Cb 0.99 -0.99 0.81 0.00 0.53 0.00 0.00 43.42 44.76 1uhr n LEU 18 CO 0.44 0.51 1.47 0.00 -1.11 0.00 0.00 177.39 178.70 1uhr h ALA 19 N -0.36 3.77 0.03 1.96 0.00 0.87 0.64 119.26 126.17 1uhr h ALA 19 Ca -0.42 -0.06 -0.37 0.00 0.00 0.00 0.00 54.91 54.06 1uhr h ALA 19 Cb 1.58 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 1uhr h ALA 19 CO -0.14 -2.32 -2.14 0.54 0.00 0.00 0.00 179.25 175.19 1uhr n ARG 20 N -4.00 0.64 -0.36 0.00 1.74 -1.26 -1.74 116.66 111.70 1uhr n ARG 20 Ca 0.43 0.29 -0.10 0.00 -0.77 0.00 0.00 57.85 57.70 1uhr n ARG 20 Cb 1.94 -1.60 -0.08 0.00 -1.02 0.00 0.00 32.46 31.69 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 -0.44 -2.02 0.09 0.55 5.85 0.57 -1.80 115.31 118.10 1uhr h LEU 21 Ca -0.53 0.31 -0.32 0.00 0.84 0.00 0.00 57.88 58.18 1uhr h LEU 21 Cb 1.74 0.89 -0.02 0.00 0.37 0.00 0.00 40.66 43.64 1uhr h LEU 21 CO -0.16 -0.27 -1.70 -0.07 -0.34 0.00 0.00 178.44 175.91 1uhr h LEU 22 N -0.08 0.28 0.00 2.25 3.38 -1.36 -3.48 115.31 116.30 1uhr h LEU 22 Ca 0.16 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1uhr h LEU 22 Cb 0.47 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1uhr h LEU 22 CO -0.87 1.43 0.00 0.61 0.09 0.00 0.00 178.44 179.70 1uhr n GLY 23 N 1.72 0.89 3.41 0.83 0.00 -0.68 -5.03 105.19 106.33 1uhr n GLY 23 Ca -0.20 -0.06 -0.44 0.00 0.00 0.00 0.00 46.02 45.31 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 4.61 0.08 -0.61 1.01 -0.91 -4.90 121.20 118.48 1uhr s ILE 24 Ca 0.00 -0.78 -0.25 0.00 0.00 0.00 0.00 60.65 59.62 1uhr s ILE 24 Cb 0.00 -4.59 -0.10 0.00 0.01 0.00 0.00 42.46 37.77 1uhr s ILE 24 CO 0.00 -1.30 1.40 0.45 0.00 0.00 0.00 174.94 175.50 1uhr h HIS 25 N 9.31 -1.14 -1.69 3.97 3.86 -1.96 -3.41 115.15 124.09 1uhr h HIS 25 Ca -0.26 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.01 1uhr h HIS 25 Cb 1.07 0.49 -0.23 0.00 1.06 0.00 0.00 27.41 29.81 1uhr h HIS 25 CO 0.92 -0.43 -0.28 0.99 0.86 0.00 0.00 177.93 180.00 1uhr s THR 26 N -5.00 -0.88 0.12 2.45 2.01 -1.26 -3.02 115.64 110.06 1uhr s THR 26 Ca -0.12 0.02 0.02 0.00 0.31 0.00 0.00 61.69 61.92 1uhr s THR 26 Cb 0.05 -0.92 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 1uhr s THR 26 CO 0.44 -0.01 0.07 0.00 -0.69 0.00 0.00 174.62 174.43 1uhr n GLN 27 N 5.42 0.48 -1.41 4.92 3.00 -1.13 -4.86 117.38 123.80 1uhr n GLN 27 Ca -0.06 -1.06 -0.22 0.00 -0.01 0.00 0.00 57.00 55.65 1uhr n GLN 27 Cb 0.50 0.72 0.16 0.00 0.00 0.00 0.00 30.24 31.61 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 -0.24 0.00 0.03 5.09 -2.24 -1.26 0.11 114.28 115.77 1uhr n THR 28 Ca 0.00 -0.72 -0.19 0.00 -2.27 0.00 0.00 64.05 60.87 1uhr n THR 28 Cb 0.19 -1.60 -0.13 0.00 -2.10 0.00 0.00 70.33 66.69 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 0.31 0.00 -0.78 2.43 -1.96 -1.79 114.38 112.60 1uhr h ARG 29 Ca -0.33 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.40 1uhr h ARG 29 Cb 0.91 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1uhr h ARG 29 CO 0.23 1.17 0.00 -0.35 -1.51 0.00 0.00 179.97 179.51 1uhr n PRO 30 N -4.20 0.28 -0.10 0.20 -0.04 -1.26 -0.33 135.00 129.55 1uhr n PRO 30 Ca -0.12 0.08 -0.11 0.00 -0.04 0.00 0.00 63.50 63.30 1uhr n PRO 30 Cb 0.74 -1.50 -0.15 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 -1.31 1.42 -0.08 0.52 0.31 -1.21 -4.15 118.33 113.83 1uhr n VAL 31 Ca 0.10 -0.81 -0.12 0.00 -0.01 0.00 0.00 64.34 63.49 1uhr n VAL 31 Cb 0.19 -0.63 -0.08 0.00 -0.91 0.00 0.00 33.84 32.40 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 0.92 -0.97 2.52 2.04 -1.06 -3.06 117.51 117.89 1uhr h ILE 32 Ca -0.54 -1.84 0.32 0.00 1.00 0.00 0.00 64.86 63.79 1uhr h ILE 32 Cb 2.19 1.89 -0.17 0.00 -0.74 0.00 0.00 36.82 39.99 1uhr h ILE 32 CO 0.01 0.31 0.27 -0.29 0.00 0.00 0.00 178.15 178.45 1uhr h ILE 33 N -1.00 0.08 0.56 -0.67 2.10 -0.92 0.11 117.51 117.77 1uhr h ILE 33 Ca -0.11 -0.02 -0.03 0.00 1.08 0.00 0.00 64.86 65.78 1uhr h ILE 33 Cb 0.84 0.02 0.01 0.00 -1.09 0.00 0.00 36.82 36.59 1uhr h ILE 33 CO -0.07 0.01 -0.27 1.56 -1.08 0.00 0.00 178.15 178.31 1uhr h GLN 34 N 0.06 -0.73 -1.87 2.19 1.08 -1.72 0.11 115.11 114.24 1uhr h GLN 34 Ca 0.68 0.05 0.54 0.00 -1.45 0.00 0.00 58.65 58.47 1uhr h GLN 34 Cb 1.57 0.17 -0.07 0.00 -0.05 0.00 0.00 27.48 29.09 1uhr h GLN 34 CO -0.81 -0.48 1.39 0.00 -0.95 0.00 0.00 178.83 177.98 1uhr h ALA 35 N -1.45 3.78 0.00 3.87 0.00 -0.80 1.55 119.26 126.20 1uhr h ALA 35 Ca -0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1uhr h ALA 35 Cb 0.58 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1uhr h ALA 35 CO 0.13 -2.35 -0.09 1.25 0.00 0.00 0.00 179.25 178.19 1uhr h LEU 36 N 0.00 0.00 -0.75 0.00 5.85 -0.59 -3.22 115.31 116.60 1uhr h LEU 36 Ca 0.89 -0.86 0.13 0.00 0.84 0.00 0.00 57.88 58.88 1uhr h LEU 36 Cb 3.65 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 44.60 1uhr h LEU 36 CO -0.01 0.98 0.34 -0.50 -0.34 0.00 0.00 178.44 178.91 1uhr h TRP 37 N -1.00 0.59 0.00 1.25 4.06 0.45 1.35 115.95 122.65 1uhr h TRP 37 Ca -0.02 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.96 1uhr h TRP 37 Cb 0.92 -0.15 0.00 0.00 -1.00 0.00 0.00 29.16 28.93 1uhr h TRP 37 CO 0.24 0.13 0.00 0.94 -3.56 0.00 0.00 178.44 176.19 1uhr n GLN 38 N -4.94 0.11 -0.05 0.49 -0.06 0.20 -1.11 117.38 112.02 1uhr n GLN 38 Ca 0.14 0.58 -0.20 0.00 -2.00 0.00 0.00 57.00 55.52 1uhr n GLN 38 Cb 0.37 -1.84 -0.13 0.00 -4.06 0.00 0.00 30.24 24.58 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 0.19 0.00 3.69 5.03 0.18 -1.87 116.97 124.18 1uhr h TYR 39 Ca 0.00 -0.14 -0.03 0.00 2.58 0.00 0.00 58.73 61.14 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 1.41 -0.15 0.82 -1.32 0.00 0.00 178.16 178.93 1uhr h ILE 40 N -0.70 0.47 0.01 1.81 2.04 -0.65 1.56 117.51 122.05 1uhr h ILE 40 Ca -0.25 -0.76 -0.08 0.00 1.00 0.00 0.00 64.86 64.77 1uhr h ILE 40 Cb 1.43 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 39.03 1uhr h ILE 40 CO -0.05 0.14 -0.42 0.11 0.00 0.00 0.00 178.15 177.93 1uhr h LYS 41 N 0.00 0.02 -0.18 2.37 1.57 -1.23 0.18 116.57 119.30 1uhr h LYS 41 Ca -0.00 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 1uhr h LYS 41 Cb 0.51 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1uhr h LYS 41 CO 0.02 1.01 -0.33 1.15 -0.57 0.00 0.00 179.45 180.74 1uhr h THR 42 N -0.96 1.34 -0.01 -0.16 2.02 -1.17 -2.79 112.91 111.18 1uhr h THR 42 Ca -0.11 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 65.51 1uhr h THR 42 Cb 1.13 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 1uhr h THR 42 CO -0.05 0.48 0.00 1.41 0.37 0.00 0.00 175.52 177.73 1uhr n HIS 43 N -4.33 0.01 -4.13 3.16 8.25 0.53 -4.91 115.22 113.80 1uhr n HIS 43 Ca -0.06 -0.01 -0.44 0.00 -0.26 0.00 0.00 57.72 56.95 1uhr n HIS 43 Cb 0.49 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.60 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 -0.58 -0.34 -0.01 -0.41 5.02 -0.49 -4.76 118.16 116.59 1uhr n LYS 44 Ca 0.21 0.05 0.13 0.00 -2.02 0.00 0.00 58.31 56.68 1uhr n LYS 44 Cb 0.18 -2.59 0.71 0.00 -0.02 0.00 0.00 35.03 33.32 1uhr n LYS 44 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1uhr n LEU 45 N -4.95 0.41 -4.65 -0.35 4.77 0.53 -4.88 117.00 107.88 1uhr n LEU 45 Ca -0.15 -0.15 -0.50 0.00 -0.03 0.00 0.00 56.01 55.18 1uhr n LEU 45 Cb 0.58 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.60 1uhr n LEU 45 CO 0.76 0.08 1.14 1.67 -1.33 0.00 0.00 177.39 179.70 1uhr n GLN 46 N -0.62 1.69 -1.70 3.23 7.27 -1.25 -0.62 117.38 125.39 1uhr n GLN 46 Ca 0.20 0.61 -0.44 0.00 0.07 0.00 0.00 57.00 57.44 1uhr n GLN 46 Cb 0.16 -2.34 -0.04 0.00 2.41 0.00 0.00 30.24 30.44 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 3.68 3.61 0.03 1.69 2.03 -0.77 -4.64 116.55 122.19 1uhr n ASP 47 Ca 0.19 1.07 0.11 0.00 0.52 0.00 0.00 54.79 56.68 1uhr n ASP 47 Cb 0.24 -1.51 0.46 0.00 -0.72 0.00 0.00 41.12 39.59 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 3.77 0.07 -0.08 -0.67 -0.04 -1.26 -3.46 135.00 133.33 1uhr n PRO 48 Ca 0.16 0.18 -0.12 0.00 -0.04 0.00 0.00 63.50 63.69 1uhr n PRO 48 Cb 0.32 -1.60 -0.06 0.00 -0.04 0.00 0.00 33.50 32.12 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 -0.94 0.54 3.86 -1.96 -3.48 115.15 113.17 1uhr h HIS 49 Ca 0.00 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.64 1uhr h HIS 49 Cb 0.42 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.83 1uhr h HIS 49 CO 0.00 0.69 -0.37 -1.21 0.86 0.00 0.00 177.93 177.89 1uhr s GLU 50 N -2.21 2.29 0.00 2.45 0.41 -1.22 -5.04 118.70 115.37 1uhr s GLU 50 Ca -0.19 -1.93 0.09 0.00 -0.41 0.00 0.00 54.97 52.53 1uhr s GLU 50 Cb 0.03 -2.07 -0.01 0.00 -1.78 0.00 0.00 34.13 30.30 1uhr s GLU 50 CO 0.39 -0.42 0.57 0.54 -0.49 0.00 0.00 175.26 175.85 1uhr n ARG 51 N -1.57 2.30 -0.01 1.61 1.74 -1.26 -4.19 116.66 115.27 1uhr n ARG 51 Ca -0.02 -0.52 0.06 0.00 -0.77 0.00 0.00 57.85 56.59 1uhr n ARG 51 Cb 0.64 -1.03 -0.11 0.00 -1.02 0.00 0.00 32.46 30.94 1uhr n ARG 51 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1uhr n GLU 52 N -0.34 0.55 -2.60 5.56 0.00 -1.26 -4.97 120.64 117.57 1uhr n GLU 52 Ca 0.03 -0.11 -0.23 0.00 0.00 0.00 0.00 57.16 56.85 1uhr n GLU 52 Cb 0.18 -1.33 0.04 0.00 0.00 0.00 0.00 31.44 30.33 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 -2.89 3.03 -0.12 -1.84 0.40 -1.26 -0.02 117.98 115.28 1uhr s PHE 53 Ca -0.05 0.24 -0.05 0.00 -0.60 0.00 0.00 56.93 56.48 1uhr s PHE 53 Cb 0.08 -2.72 0.06 0.00 0.51 0.00 0.00 43.02 40.95 1uhr s PHE 53 CO 0.57 -0.83 0.25 0.54 0.70 0.00 0.00 175.22 176.44 1uhr s VAL 54 N -2.84 -0.35 -0.39 -0.44 0.11 0.53 -1.84 120.40 115.18 1uhr s VAL 54 Ca 0.55 0.27 -0.28 0.00 -2.93 0.00 0.00 61.98 59.59 1uhr s VAL 54 Cb -0.10 -0.42 0.02 0.00 -1.53 0.00 0.00 36.38 34.35 1uhr s VAL 54 CO 0.41 0.11 1.07 -0.76 -3.33 0.00 0.00 175.10 172.59 1uhr s LEU 55 N 2.24 3.84 0.23 2.54 1.43 0.21 -3.14 118.68 126.03 1uhr s LEU 55 Ca -0.00 0.70 -0.31 0.00 -1.03 0.00 0.00 54.13 53.50 1uhr s LEU 55 Cb -0.12 -3.48 -0.10 0.00 0.03 0.00 0.00 46.19 42.52 1uhr s LEU 55 CO -0.08 -1.02 1.52 0.00 0.23 0.00 0.00 176.35 176.99 1uhr s ASP 57 N 0.65 0.79 0.19 0.00 -1.08 -1.26 -4.30 116.67 111.66 1uhr s ASP 57 Ca 0.64 0.46 -0.17 0.00 -0.52 0.00 0.00 52.55 52.96 1uhr s ASP 57 Cb -0.44 -0.57 0.16 0.00 -1.46 0.00 0.00 42.92 40.61 1uhr s ASP 57 CO 0.40 -4.19 1.62 0.50 0.52 0.00 0.00 175.17 174.03 1uhr h LYS 58 N -2.63 -0.08 0.97 4.34 3.64 -1.97 1.63 116.57 122.48 1uhr h LYS 58 Ca -0.42 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 58.91 1uhr h LYS 58 Cb 1.27 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 33.12 1uhr h LYS 58 CO 0.29 -0.05 -0.49 1.88 -2.27 0.00 0.00 179.45 178.81 1uhr h TYR 59 N -0.08 -1.26 -0.84 1.91 0.05 -1.99 -2.33 116.97 112.43 1uhr h TYR 59 Ca 0.25 -0.03 0.15 0.00 0.05 0.00 0.00 58.73 59.15 1uhr h TYR 59 Cb 0.46 0.42 -0.10 0.00 1.01 0.00 0.00 36.73 38.53 1uhr h TYR 59 CO -0.50 -0.77 0.42 -0.07 -1.05 0.00 0.00 178.16 176.18 1uhr h LEU 60 N -1.33 0.48 -2.09 3.88 3.38 -1.72 1.08 115.31 118.99 1uhr h LEU 60 Ca -0.13 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1uhr h LEU 60 Cb 1.02 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1uhr h LEU 60 CO 0.21 0.19 0.09 1.56 0.09 0.00 0.00 178.44 180.58 1uhr h GLN 61 N 0.59 0.00 0.00 1.13 4.20 0.27 1.79 115.11 123.08 1uhr h GLN 61 Ca 0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.17 1uhr h GLN 61 Cb 0.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1uhr h GLN 61 CO -0.38 0.00 -1.38 1.04 -0.67 0.00 0.00 178.83 177.44 1uhr n GLN 62 N -2.67 0.29 -0.08 1.46 1.13 0.36 -2.91 117.38 114.96 1uhr n GLN 62 Ca -0.02 -0.08 -0.12 0.00 -1.94 0.00 0.00 57.00 54.84 1uhr n GLN 62 Cb 0.14 -1.52 -0.04 0.00 0.11 0.00 0.00 30.24 28.93 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 -1.85 1.44 0.14 5.09 5.41 0.20 -4.70 119.36 125.08 1uhr n ILE 63 Ca 0.01 0.06 -0.24 0.00 1.00 0.00 0.00 62.75 63.58 1uhr n ILE 63 Cb 0.44 -2.16 -0.15 0.00 -0.71 0.00 0.00 39.64 37.05 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 -0.87 0.96 -1.94 1.39 0.04 0.21 -3.48 116.94 113.26 1uhr h PHE 64 Ca -0.14 -0.69 -0.24 0.00 2.80 0.00 0.00 57.97 59.71 1uhr h PHE 64 Cb 1.02 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 39.12 1uhr h PHE 64 CO -0.31 1.53 -0.32 0.39 -0.60 0.00 0.00 178.31 179.01 1uhr n GLU 65 N -3.72 -1.36 -3.88 1.51 1.02 -1.03 -4.99 120.64 108.20 1uhr n GLU 65 Ca -0.16 0.57 -0.30 0.00 -0.02 0.00 0.00 57.16 57.25 1uhr n GLU 65 Cb 1.08 -4.71 -0.14 0.00 -0.02 0.00 0.00 31.44 27.65 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 -2.54 4.27 0.28 1.62 0.01 -1.26 -4.98 113.70 111.10 1uhr s SER 66 Ca 0.04 -2.34 -0.02 0.00 1.31 0.00 0.00 55.95 54.93 1uhr s SER 66 Cb -0.02 -1.34 0.60 0.00 0.21 0.00 0.00 66.02 65.47 1uhr s SER 66 CO 0.05 -0.33 1.61 1.56 0.41 0.00 0.00 173.24 176.53 1uhr h GLN 67 N 7.27 0.07 -3.22 12.44 4.20 -1.93 -3.32 115.11 130.63 1uhr h GLN 67 Ca -0.06 -0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.36 1uhr h GLN 67 Cb 0.97 -0.02 -0.35 0.00 0.30 0.00 0.00 27.48 28.39 1uhr h GLN 67 CO 0.54 0.05 -0.64 0.50 -0.67 0.00 0.00 178.83 178.60 1uhr s ARG 68 N -6.06 0.03 0.15 1.46 3.52 -1.26 -2.92 118.95 113.87 1uhr s ARG 68 Ca -0.13 0.44 -0.01 0.00 -0.13 0.00 0.00 55.73 55.90 1uhr s ARG 68 Cb 0.26 -0.27 -0.04 0.00 -1.56 0.00 0.00 34.95 33.34 1uhr s ARG 68 CO 0.77 -0.25 0.07 0.00 -0.81 0.00 0.00 175.30 175.08 1uhr s MET 69 N 1.76 1.02 0.20 5.12 0.23 -1.19 -4.98 119.30 121.46 1uhr s MET 69 Ca -0.02 -1.50 -0.19 0.00 -1.03 0.00 0.00 55.69 52.95 1uhr s MET 69 Cb -0.12 0.17 -0.08 0.00 -1.53 0.00 0.00 34.83 33.27 1uhr s MET 69 CO -0.05 -0.27 0.69 0.15 -2.03 0.00 0.00 175.02 173.51 1uhr s LYS 70 N -4.05 4.22 0.55 3.16 1.02 -1.26 -0.35 119.74 123.03 1uhr s LYS 70 Ca 0.28 0.82 0.28 0.00 0.02 0.00 0.00 55.97 57.36 1uhr s LYS 70 Cb 0.07 -2.92 1.45 0.00 -0.52 0.00 0.00 37.83 35.92 1uhr s LYS 70 CO 0.04 0.43 1.96 0.74 -0.92 0.00 0.00 175.35 177.60 1uhr h PHE 71 N 3.53 0.00 0.00 3.18 0.04 -0.75 1.33 116.94 124.27 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 1.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 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 -4.16 0.19 -0.82 2.17 2.88 -1.26 -2.59 113.62 110.03 1uhr n SER 72 Ca 0.11 0.52 0.12 0.00 -1.33 0.00 0.00 58.87 58.29 1uhr n SER 72 Cb 0.68 -0.57 0.26 0.00 -0.75 0.00 0.00 64.21 63.83 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 -1.68 2.12 -0.02 -1.46 -0.58 0.45 -4.13 120.64 115.35 1uhr n GLU 73 Ca 0.06 -1.65 -0.16 0.00 -0.42 0.00 0.00 57.16 55.00 1uhr n GLU 73 Cb 0.35 -1.47 -0.10 0.00 -0.57 0.00 0.00 31.44 29.65 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 3.77 1.44 0.00 -3.67 1.08 -1.26 -2.87 117.51 116.00 1uhr h ILE 74 Ca 0.00 -1.92 0.00 0.00 -0.39 0.00 0.00 64.86 62.55 1uhr h ILE 74 Cb 0.81 2.50 0.00 0.00 -3.07 0.00 0.00 36.82 37.06 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 -4.34 0.08 0.09 2.37 -0.04 -1.26 -1.62 135.00 130.28 1uhr n PRO 75 Ca -0.09 0.20 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 1uhr n PRO 75 Cb 0.58 -1.62 0.13 0.00 -0.04 0.00 0.00 33.50 32.55 1uhr n PRO 75 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1uhr h GLN 76 N 0.00 0.00 0.00 0.54 4.15 -1.70 -3.31 115.11 114.79 1uhr h GLN 76 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1uhr h GLN 76 Cb 0.44 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.13 1uhr h GLN 76 CO 0.00 0.00 -1.42 0.54 -1.93 0.00 0.00 178.83 176.02 1uhr n ARG 77 N -2.35 0.91 -0.15 1.69 3.00 -0.98 -4.42 116.66 114.36 1uhr n ARG 77 Ca 0.03 -0.10 -0.10 0.00 -0.01 0.00 0.00 57.85 57.67 1uhr n ARG 77 Cb 0.48 -1.34 -0.01 0.00 0.00 0.00 0.00 32.46 31.59 1uhr n ARG 77 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1uhr h LEU 78 N 0.00 0.70 -1.38 0.55 3.38 -1.39 -2.51 115.31 114.66 1uhr h LEU 78 Ca 0.00 -0.28 0.44 0.00 0.09 0.00 0.00 57.88 58.14 1uhr h LEU 78 Cb 0.62 -0.19 -0.13 0.00 0.09 0.00 0.00 40.66 41.05 1uhr h LEU 78 CO 0.00 0.80 0.85 0.45 0.09 0.00 0.00 178.44 180.63 1uhr h HIS 79 N 0.58 0.54 0.04 1.13 3.86 -1.77 1.79 115.15 121.32 1uhr h HIS 79 Ca 0.13 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1uhr h HIS 79 Cb 0.41 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.75 1uhr h HIS 79 CO 0.03 -0.24 -0.02 0.00 0.86 0.00 0.00 177.93 178.56 1uhr h ALA 80 N 1.62 -0.06 0.00 2.45 0.00 -1.73 -2.96 119.26 118.59 1uhr h ALA 80 Ca 0.84 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.47 1uhr h ALA 80 Cb 2.62 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 20.42 1uhr h ALA 80 CO -0.45 -0.28 -0.14 -0.07 0.00 0.00 0.00 179.25 178.31 1uhr h LEU 81 N -0.56 0.00 -9.05 0.00 3.38 0.14 -3.40 115.31 105.82 1uhr h LEU 81 Ca -0.01 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 1uhr h LEU 81 Cb 0.50 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.16 1uhr h LEU 81 CO 0.01 0.14 0.23 -0.76 0.09 0.00 0.00 178.44 178.15 1uhr s LEU 82 N -7.69 4.10 0.23 1.67 1.43 0.51 -1.32 118.68 117.61 1uhr s LEU 82 Ca -0.03 0.85 0.10 0.00 -1.03 0.00 0.00 54.13 54.02 1uhr s LEU 82 Cb 0.14 -2.96 -0.05 0.00 0.03 0.00 0.00 46.19 43.35 1uhr s LEU 82 CO 0.62 -0.37 -0.18 -0.04 0.23 0.00 0.00 176.35 176.60 1uhr s MET 83 N 2.36 1.47 -0.32 1.70 -1.94 0.25 -4.77 119.30 118.06 1uhr s MET 83 Ca 0.30 -1.62 -0.29 0.00 -1.71 0.00 0.00 55.69 52.37 1uhr s MET 83 Cb -0.16 -1.49 0.00 0.00 2.01 0.00 0.00 34.83 35.20 1uhr s MET 83 CO 0.09 0.28 1.36 -1.25 -0.01 0.00 0.00 175.02 175.49 1uhr s PRO 84 N -3.33 3.81 -0.64 2.03 0.04 -1.26 0.19 135.00 135.83 1uhr s PRO 84 Ca 0.24 1.20 -0.06 0.00 0.04 0.00 0.00 61.00 62.42 1uhr s PRO 84 Cb -0.04 -3.93 -0.13 0.00 0.04 0.00 0.00 34.50 30.43 1uhr s PRO 84 CO 0.10 -1.26 2.65 -0.35 0.04 0.00 0.00 177.00 178.19 1uhr n PRO 85 N 7.56 2.17 -3.70 0.56 -0.04 -1.26 -4.76 135.00 135.52 1uhr n PRO 85 Ca 0.16 -1.29 -0.12 0.00 -0.04 0.00 0.00 63.50 62.21 1uhr n PRO 85 Cb 0.47 -2.25 -0.07 0.00 -0.04 0.00 0.00 33.50 31.61 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 2.22 0.89 0.00 0.54 -1.05 -1.26 -5.04 118.70 115.00 1uhr s GLU 86 Ca 0.51 -0.49 0.00 0.00 -0.15 0.00 0.00 54.97 54.85 1uhr s GLU 86 Cb 0.19 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 34.27 1uhr s GLU 86 CO -0.02 -0.30 0.00 -0.35 0.95 0.00 0.00 175.26 175.53 1uhr n PRO 87 N 0.42 0.67 0.00 -4.83 -0.04 -1.26 -5.03 135.00 124.93 1uhr n PRO 87 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1uhr n PRO 87 Cb 0.60 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.06 1uhr n PRO 87 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1uhr n SER 88 N -0.66 0.00 -3.58 3.54 3.41 -1.26 -5.15 113.62 109.92 1uhr n SER 88 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.55 1uhr n SER 88 Cb 0.00 0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 63.94 1uhr n SER 88 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1uhr s GLY 89 N -1.05 -0.30 0.64 5.00 0.00 -1.26 -5.17 107.32 105.19 1uhr s GLY 89 Ca 0.00 1.60 -0.13 0.00 0.00 0.00 0.00 44.72 46.19 1uhr s GLY 89 CO 0.00 0.57 1.05 2.56 0.00 0.00 0.00 173.10 177.28 1uhr s PRO 90 N -2.36 3.17 -0.15 2.90 0.04 -1.26 -4.67 135.00 132.66 1uhr s PRO 90 Ca 0.08 1.05 -0.08 0.00 0.04 0.00 0.00 61.00 62.09 1uhr s PRO 90 Cb -0.01 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.55 1uhr s PRO 90 CO -0.05 -0.92 0.17 0.45 0.04 0.00 0.00 177.00 176.68 1uhr n SER 91 N -2.58 -1.43 -4.80 6.66 2.88 -1.26 -4.97 113.62 108.12 1uhr n SER 91 Ca 0.08 1.03 -0.33 0.00 -1.33 0.00 0.00 58.87 58.31 1uhr n SER 91 Cb 0.53 -4.24 -0.00 0.00 -0.75 0.00 0.00 64.21 59.75 1uhr n SER 91 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1uhr s SER 92 N -0.60 5.89 0.00 -3.46 0.01 -1.26 -5.19 113.70 109.09 1uhr s SER 92 Ca -0.19 1.90 0.00 0.00 1.31 0.00 0.00 55.95 58.97 1uhr s SER 92 Cb 0.01 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1uhr s SER 92 CO 0.60 -1.09 0.00 0.61 0.41 0.00 0.00 173.24 173.77