#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 3.88 0.20 1.61 0.15 -1.26 -5.15 113.70 113.14 1uhr s SER 2 Ca 0.00 -0.91 0.10 0.00 0.70 0.00 0.00 55.95 55.84 1uhr s SER 2 Cb 0.00 -0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 63.80 1uhr s SER 2 CO 0.00 0.03 -0.20 -0.94 1.20 0.00 0.00 173.24 173.33 1uhr s SER 3 N -3.56 3.08 -0.30 5.45 1.04 -1.26 -5.14 113.70 113.01 1uhr s SER 3 Ca 0.30 -0.92 -0.23 0.00 0.48 0.00 0.00 55.95 55.58 1uhr s SER 3 Cb -0.05 -0.21 0.19 0.00 0.10 0.00 0.00 66.02 66.05 1uhr s SER 3 CO 0.17 0.01 1.41 -0.83 0.98 0.00 0.00 173.24 174.97 1uhr s GLY 4 N -2.95 0.40 0.20 7.32 0.00 -1.26 -5.19 107.32 105.85 1uhr s GLY 4 Ca 0.21 3.58 -0.06 0.00 0.00 0.00 0.00 44.72 48.45 1uhr s GLY 4 CO 0.09 2.09 0.27 -1.35 0.00 0.00 0.00 173.10 174.20 1uhr s SER 5 N 0.21 0.06 0.20 1.64 1.04 -1.26 -5.12 113.70 110.47 1uhr s SER 5 Ca 0.05 -1.12 0.11 0.00 0.48 0.00 0.00 55.95 55.47 1uhr s SER 5 Cb -0.05 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 1uhr s SER 5 CO -0.15 -0.94 -0.22 -0.44 0.98 0.00 0.00 173.24 172.47 1uhr s SER 6 N -3.06 3.52 2.00 7.02 0.01 -1.26 -5.00 113.70 116.92 1uhr s SER 6 Ca 0.28 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.69 1uhr s SER 6 Cb 0.04 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.97 1uhr s SER 6 CO 0.08 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.45 1uhr n GLY 7 N 0.19 3.41 3.29 3.44 0.00 -1.26 -4.76 105.19 109.50 1uhr n GLY 7 Ca -0.12 0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1uhr n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uhr n GLN 8 N 9.48 0.13 -1.56 1.61 10.64 -1.26 -4.93 117.38 131.49 1uhr n GLN 8 Ca 0.00 0.06 -0.31 0.00 -1.83 0.00 0.00 57.00 54.92 1uhr n GLN 8 Cb 0.00 -1.32 0.06 0.00 -0.86 0.00 0.00 30.24 28.13 1uhr n GLN 8 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1uhr s PRO 9 N -1.85 2.63 0.94 2.61 0.04 -1.26 -4.94 135.00 133.18 1uhr s PRO 9 Ca 0.57 0.84 -0.13 0.00 0.04 0.00 0.00 61.00 62.32 1uhr s PRO 9 Cb -0.38 -1.96 0.16 0.00 0.04 0.00 0.00 34.50 32.35 1uhr s PRO 9 CO 0.66 -1.29 1.15 -1.25 0.04 0.00 0.00 177.00 176.32 1uhr s PRO 10 N -5.09 0.86 -0.30 0.56 0.04 -1.26 -5.06 135.00 124.76 1uhr s PRO 10 Ca 0.59 0.18 -0.09 0.00 0.04 0.00 0.00 61.00 61.72 1uhr s PRO 10 Cb -0.14 -1.82 0.17 0.00 0.04 0.00 0.00 34.50 32.76 1uhr s PRO 10 CO 0.55 -2.37 0.84 -0.65 0.04 0.00 0.00 177.00 175.41 1uhr s GLN 11 N -5.35 0.38 0.01 4.56 -0.21 -1.26 -4.09 119.66 113.71 1uhr s GLN 11 Ca 0.65 0.77 0.00 0.00 0.02 0.00 0.00 55.36 56.81 1uhr s GLN 11 Cb -0.13 0.44 -0.04 0.00 1.00 0.00 0.00 33.01 34.28 1uhr s GLN 11 CO 0.54 -0.32 0.08 -0.06 -2.12 0.00 0.00 175.29 173.40 1uhr s PHE 12 N 2.81 3.27 -0.02 0.91 0.40 -0.20 -4.47 117.98 120.68 1uhr s PHE 12 Ca 0.06 0.18 -0.29 0.00 -0.60 0.00 0.00 56.93 56.27 1uhr s PHE 12 Cb -0.11 -1.71 -0.03 0.00 0.51 0.00 0.00 43.02 41.68 1uhr s PHE 12 CO -0.17 0.54 0.95 0.21 0.70 0.00 0.00 175.22 177.46 1uhr s LYS 13 N -1.87 4.53 0.24 0.44 2.20 0.35 -3.48 119.74 122.16 1uhr s LYS 13 Ca 0.24 1.36 -0.23 0.00 -0.36 0.00 0.00 55.97 56.98 1uhr s LYS 13 Cb -0.12 -3.47 -0.09 0.00 -1.51 0.00 0.00 37.83 32.65 1uhr s LYS 13 CO 0.16 -0.06 0.81 -0.51 -0.36 0.00 0.00 175.35 175.38 1uhr s LEU 14 N 1.08 4.40 1.09 5.43 1.43 -1.16 0.49 118.68 131.44 1uhr s LEU 14 Ca 0.50 1.61 -0.17 0.00 -1.03 0.00 0.00 54.13 55.04 1uhr s LEU 14 Cb -0.20 -3.67 0.11 0.00 0.03 0.00 0.00 46.19 42.46 1uhr s LEU 14 CO 0.26 0.04 0.20 0.47 0.23 0.00 0.00 176.35 177.55 1uhr n ASP 15 N 0.85 -2.21 0.19 2.29 9.92 -0.31 -4.33 116.55 122.96 1uhr n ASP 15 Ca -0.02 -0.02 0.14 0.00 -0.53 0.00 0.00 54.79 54.36 1uhr n ASP 15 Cb 0.50 -1.05 0.44 0.00 -0.64 0.00 0.00 41.12 40.38 1uhr n ASP 15 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1uhr h PRO 16 N -2.02 0.00 0.00 -0.24 0.13 -1.95 1.02 132.00 128.95 1uhr h PRO 16 Ca -0.52 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.38 1uhr h PRO 16 Cb 1.34 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.43 1uhr h PRO 16 CO 0.39 0.00 -2.00 0.54 -0.23 0.00 0.00 178.00 176.70 1uhr n ARG 17 N -2.70 0.66 -0.09 0.86 1.74 -1.26 -4.31 116.66 111.55 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 0.38 -1.62 -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 -2.70 2.07 -0.70 0.55 7.94 -1.15 -2.48 117.00 120.53 1uhr n LEU 18 Ca -0.19 0.34 0.53 0.00 -1.11 0.00 0.00 56.01 55.58 1uhr n LEU 18 Cb 0.94 -0.97 0.82 0.00 0.53 0.00 0.00 43.42 44.74 1uhr n LEU 18 CO 0.44 0.47 1.48 0.00 -1.11 0.00 0.00 177.39 178.66 1uhr n ALA 19 N -3.48 1.88 -0.10 1.96 0.00 0.35 0.69 120.51 121.82 1uhr n ALA 19 Ca -0.37 0.67 -0.24 0.00 0.00 0.00 0.00 53.44 53.50 1uhr n ALA 19 Cb 0.80 -1.14 -0.12 0.00 0.00 0.00 0.00 19.45 18.99 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 -3.96 0.63 -0.39 0.00 1.74 -1.26 -1.69 116.66 111.72 1uhr n ARG 20 Ca 0.45 0.34 -0.09 0.00 -0.77 0.00 0.00 57.85 57.77 1uhr n ARG 20 Cb 2.01 -1.62 -0.08 0.00 -1.02 0.00 0.00 32.46 31.76 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 -0.62 -2.02 0.09 0.55 5.85 0.59 -1.34 115.31 118.41 1uhr h LEU 21 Ca -0.52 0.32 -0.31 0.00 0.84 0.00 0.00 57.88 58.21 1uhr h LEU 21 Cb 1.65 0.91 -0.02 0.00 0.37 0.00 0.00 40.66 43.57 1uhr h LEU 21 CO -0.20 -0.25 -1.64 -0.07 -0.34 0.00 0.00 178.44 175.93 1uhr h LEU 22 N -0.03 0.30 0.00 2.25 3.38 -1.34 -3.48 115.31 116.39 1uhr h LEU 22 Ca 0.19 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1uhr h LEU 22 Cb 0.46 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1uhr h LEU 22 CO -0.92 1.42 0.00 0.61 0.09 0.00 0.00 178.44 179.64 1uhr n GLY 23 N 1.70 0.86 3.45 0.83 0.00 -0.51 -5.04 105.19 106.48 1uhr n GLY 23 Ca -0.19 -0.08 -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 4.81 0.06 -0.61 1.01 -0.86 -4.90 121.20 118.71 1uhr s ILE 24 Ca 0.00 -0.47 -0.37 0.00 0.00 0.00 0.00 60.65 59.81 1uhr s ILE 24 Cb 0.00 -4.35 -0.20 0.00 0.01 0.00 0.00 42.46 37.92 1uhr s ILE 24 CO 0.00 -0.89 1.56 0.45 0.00 0.00 0.00 174.94 176.06 1uhr h HIS 25 N 9.06 -1.29 -1.51 3.97 3.86 -1.96 -3.41 115.15 123.87 1uhr h HIS 25 Ca -0.28 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 58.92 1uhr h HIS 25 Cb 1.09 0.44 -0.24 0.00 1.06 0.00 0.00 27.41 29.77 1uhr h HIS 25 CO 0.78 -0.75 -0.31 0.99 0.86 0.00 0.00 177.93 179.49 1uhr s THR 26 N -5.92 -0.86 0.01 2.45 2.01 -1.26 -2.98 115.64 109.08 1uhr s THR 26 Ca -0.19 -0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.80 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 0.59 -0.03 0.00 0.00 -0.69 0.00 0.00 174.62 174.50 1uhr n GLN 27 N 5.41 0.78 -1.30 4.92 3.00 -1.23 -4.90 117.38 124.07 1uhr n GLN 27 Ca -0.04 -0.06 -0.18 0.00 -0.01 0.00 0.00 57.00 56.72 1uhr n GLN 27 Cb 0.50 0.03 0.12 0.00 0.00 0.00 0.00 30.24 30.90 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 -0.01 0.00 0.03 5.09 -2.24 -1.26 -1.03 114.28 114.86 1uhr n THR 28 Ca -0.00 -0.67 -0.19 0.00 -2.27 0.00 0.00 64.05 60.91 1uhr n THR 28 Cb 0.01 -1.58 -0.14 0.00 -2.10 0.00 0.00 70.33 66.52 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 -1.97 -1.84 114.38 112.53 1uhr h ARG 29 Ca -0.26 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 58.45 1uhr h ARG 29 Cb 0.74 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1uhr h ARG 29 CO 0.19 1.19 0.00 -0.35 -1.51 0.00 0.00 179.97 179.50 1uhr n PRO 30 N -4.18 0.29 -0.10 0.20 -0.04 -1.26 -0.54 135.00 129.36 1uhr n PRO 30 Ca -0.13 0.08 -0.12 0.00 -0.04 0.00 0.00 63.50 63.28 1uhr n PRO 30 Cb 0.76 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.58 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 1.44 -0.07 0.52 0.31 -1.22 -4.11 118.33 113.90 1uhr n VAL 31 Ca 0.10 -0.77 -0.08 0.00 -0.01 0.00 0.00 64.34 63.58 1uhr n VAL 31 Cb 0.19 -0.80 -0.06 0.00 -0.91 0.00 0.00 33.84 32.26 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 0.73 -0.98 2.52 2.04 -1.09 -2.69 117.51 118.04 1uhr h ILE 32 Ca -0.54 -1.60 0.30 0.00 1.00 0.00 0.00 64.86 64.03 1uhr h ILE 32 Cb 2.13 1.43 -0.18 0.00 -0.74 0.00 0.00 36.82 39.46 1uhr h ILE 32 CO 0.00 0.25 0.19 -0.29 0.00 0.00 0.00 178.15 178.30 1uhr h ILE 33 N -1.00 0.06 0.62 -0.67 2.10 -1.06 0.17 117.51 117.72 1uhr h ILE 33 Ca -0.04 -0.01 -0.03 0.00 1.08 0.00 0.00 64.86 65.86 1uhr h ILE 33 Cb 0.55 0.02 0.01 0.00 -1.09 0.00 0.00 36.82 36.31 1uhr h ILE 33 CO -0.02 0.01 -0.30 1.56 -1.08 0.00 0.00 178.15 178.32 1uhr h GLN 34 N 0.04 -0.80 -1.96 2.19 4.20 -1.71 -0.34 115.11 116.73 1uhr h GLN 34 Ca 0.66 0.05 0.57 0.00 0.06 0.00 0.00 58.65 59.99 1uhr h GLN 34 Cb 1.48 0.18 -0.08 0.00 0.30 0.00 0.00 27.48 29.36 1uhr h GLN 34 CO -0.85 -0.51 1.41 0.00 -0.67 0.00 0.00 178.83 178.21 1uhr n ALA 35 N -2.70 1.88 -0.07 3.87 0.00 0.38 0.17 120.51 124.04 1uhr n ALA 35 Ca -0.11 0.66 -0.13 0.00 0.00 0.00 0.00 53.44 53.86 1uhr n ALA 35 Cb 0.33 -1.13 -0.11 0.00 0.00 0.00 0.00 19.45 18.54 1uhr n ALA 35 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1uhr h LEU 36 N 0.00 0.00 -0.70 0.00 5.85 -0.72 -3.24 115.31 116.50 1uhr h LEU 36 Ca 0.94 -0.77 0.13 0.00 0.84 0.00 0.00 57.88 59.01 1uhr h LEU 36 Cb 3.75 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 44.69 1uhr h LEU 36 CO -0.02 1.00 0.25 -0.50 -0.34 0.00 0.00 178.44 178.83 1uhr h TRP 37 N -1.00 0.42 0.00 1.25 4.06 0.36 1.40 115.95 122.44 1uhr h TRP 37 Ca -0.05 0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.93 1uhr h TRP 37 Cb 0.91 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 28.98 1uhr h TRP 37 CO 0.20 0.05 0.03 0.94 -3.56 0.00 0.00 178.44 176.10 1uhr n GLN 38 N -5.03 0.13 -0.05 0.49 -0.06 0.25 -0.90 117.38 112.21 1uhr n GLN 38 Ca 0.12 0.63 -0.20 0.00 -2.00 0.00 0.00 57.00 55.55 1uhr n GLN 38 Cb 0.37 -1.97 -0.13 0.00 -4.06 0.00 0.00 30.24 24.45 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 0.17 0.00 3.69 5.03 0.19 -1.84 116.97 124.20 1uhr h TYR 39 Ca 0.00 -0.12 -0.03 0.00 2.58 0.00 0.00 58.73 61.15 1uhr h TYR 39 Cb 0.05 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.32 1uhr h TYR 39 CO 0.00 1.41 -0.15 0.82 -1.32 0.00 0.00 178.16 178.91 1uhr h ILE 40 N -0.73 0.52 0.00 1.81 2.04 -0.50 1.56 117.51 122.21 1uhr h ILE 40 Ca -0.25 -0.74 -0.06 0.00 1.00 0.00 0.00 64.86 64.81 1uhr h ILE 40 Cb 1.41 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 1uhr h ILE 40 CO -0.06 0.15 -0.34 0.11 0.00 0.00 0.00 178.15 178.01 1uhr h LYS 41 N 0.00 0.00 -0.26 2.37 1.57 -1.14 0.86 116.57 119.98 1uhr h LYS 41 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1uhr h LYS 41 Cb 0.49 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1uhr h LYS 41 CO 0.02 0.93 -0.24 1.15 -0.57 0.00 0.00 179.45 180.73 1uhr h THR 42 N -1.00 1.31 -0.08 -0.16 2.02 -1.17 -2.62 112.91 111.22 1uhr h THR 42 Ca -0.09 -1.40 0.00 0.00 0.77 0.00 0.00 66.41 65.69 1uhr h THR 42 Cb 1.02 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1uhr h THR 42 CO -0.06 0.44 0.00 1.41 0.37 0.00 0.00 175.52 177.69 1uhr n HIS 43 N -4.34 0.09 -4.09 3.16 8.25 0.53 -4.91 115.22 113.90 1uhr n HIS 43 Ca -0.04 -0.05 -0.44 0.00 -0.26 0.00 0.00 57.72 56.93 1uhr n HIS 43 Cb 0.44 0.00 0.00 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 -0.26 -0.44 0.00 -0.41 5.02 -0.53 -4.77 118.16 116.76 1uhr n LYS 44 Ca 0.15 0.10 0.15 0.00 -2.02 0.00 0.00 58.31 56.69 1uhr n LYS 44 Cb 0.20 -2.79 0.82 0.00 -0.02 0.00 0.00 35.03 33.24 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 0.00 -4.67 -0.35 4.77 0.29 -4.85 117.00 107.24 1uhr n LEU 45 Ca -0.14 0.17 -0.52 0.00 -0.03 0.00 0.00 56.01 55.48 1uhr n LEU 45 Cb 0.59 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 1uhr n LEU 45 CO 0.76 -0.00 1.28 1.67 -1.33 0.00 0.00 177.39 179.76 1uhr n GLN 46 N -1.17 1.62 -1.73 3.23 7.27 -1.24 -0.31 117.38 125.06 1uhr n GLN 46 Ca 0.18 0.59 -0.42 0.00 0.07 0.00 0.00 57.00 57.42 1uhr n GLN 46 Cb 0.18 -2.33 -0.02 0.00 2.41 0.00 0.00 30.24 30.48 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 4.95 3.90 0.11 1.69 2.03 -0.83 -4.65 116.55 123.76 1uhr n ASP 47 Ca 0.22 1.10 0.12 0.00 0.52 0.00 0.00 54.79 56.76 1uhr n ASP 47 Cb 0.22 -1.58 0.45 0.00 -0.72 0.00 0.00 41.12 39.49 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 3.16 0.22 -0.07 -0.67 -0.04 -1.26 -3.55 135.00 132.79 1uhr n PRO 48 Ca 0.13 0.31 -0.07 0.00 -0.04 0.00 0.00 63.50 63.83 1uhr n PRO 48 Cb 0.35 -1.82 -0.04 0.00 -0.04 0.00 0.00 33.50 31.95 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 -1.17 0.54 3.86 -1.96 -3.48 115.15 112.94 1uhr h HIS 49 Ca 0.00 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.63 1uhr h HIS 49 Cb 0.54 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.93 1uhr h HIS 49 CO 0.00 0.36 -0.45 -1.21 0.86 0.00 0.00 177.93 177.49 1uhr s GLU 50 N -1.98 2.24 -0.01 2.45 0.41 -1.23 -5.04 118.70 115.54 1uhr s GLU 50 Ca -0.11 -1.95 0.14 0.00 -0.41 0.00 0.00 54.97 52.64 1uhr s GLU 50 Cb 0.01 -1.97 -0.18 0.00 -1.78 0.00 0.00 34.13 30.21 1uhr s GLU 50 CO 0.26 -0.28 0.48 2.89 -0.49 0.00 0.00 175.26 178.12 1uhr n ARG 51 N -1.39 1.70 0.02 1.61 0.00 -1.26 -4.07 116.66 113.27 1uhr n ARG 51 Ca -0.03 -0.05 0.10 0.00 -0.00 0.00 0.00 57.85 57.86 1uhr n ARG 51 Cb 0.65 -1.22 -0.12 0.00 -0.00 0.00 0.00 32.46 31.76 1uhr n ARG 51 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1uhr n GLU 52 N -1.58 0.65 -2.64 2.89 0.00 -1.26 -4.92 120.64 113.78 1uhr n GLU 52 Ca 0.01 -0.09 -0.23 0.00 0.00 0.00 0.00 57.16 56.84 1uhr n GLU 52 Cb 0.27 -1.61 0.03 0.00 0.00 0.00 0.00 31.44 30.14 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 -3.40 3.04 -0.14 -1.84 0.40 -1.26 0.19 117.98 114.96 1uhr s PHE 53 Ca -0.06 0.23 -0.05 0.00 -0.60 0.00 0.00 56.93 56.44 1uhr s PHE 53 Cb 0.12 -2.68 0.07 0.00 0.51 0.00 0.00 43.02 41.03 1uhr s PHE 53 CO 0.87 -0.79 0.30 0.54 0.70 0.00 0.00 175.22 176.84 1uhr s VAL 54 N -2.81 -0.37 -0.50 -0.44 0.11 0.53 -1.97 120.40 114.96 1uhr s VAL 54 Ca 0.54 0.23 -0.29 0.00 -2.93 0.00 0.00 61.98 59.54 1uhr s VAL 54 Cb -0.10 -0.48 0.02 0.00 -1.53 0.00 0.00 36.38 34.29 1uhr s VAL 54 CO 0.40 0.10 1.24 -0.76 -3.33 0.00 0.00 175.10 172.75 1uhr s LEU 55 N 2.20 3.55 0.16 2.54 1.43 0.58 -3.25 118.68 125.90 1uhr s LEU 55 Ca -0.02 0.42 -0.32 0.00 -1.03 0.00 0.00 54.13 53.19 1uhr s LEU 55 Cb -0.12 -3.39 -0.11 0.00 0.03 0.00 0.00 46.19 42.61 1uhr s LEU 55 CO -0.10 -1.41 1.66 0.00 0.23 0.00 0.00 176.35 176.74 1uhr n ASP 57 N 4.36 -3.26 -0.15 0.00 5.68 -1.26 -4.22 116.55 117.70 1uhr n ASP 57 Ca 0.15 -0.86 -0.03 0.00 -0.50 0.00 0.00 54.79 53.55 1uhr n ASP 57 Cb 0.38 -0.86 0.06 0.00 -1.14 0.00 0.00 41.12 39.55 1uhr n ASP 57 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1uhr h LYS 58 N 0.00 0.28 0.62 0.11 3.64 -1.97 1.05 116.57 120.30 1uhr h LYS 58 Ca -0.35 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 58.99 1uhr h LYS 58 Cb 1.13 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1uhr h LYS 58 CO 0.21 0.19 -0.30 1.88 -2.27 0.00 0.00 179.45 179.16 1uhr h TYR 59 N 0.29 -0.77 -0.79 1.91 0.05 -1.99 -2.54 116.97 113.13 1uhr h TYR 59 Ca 0.23 -0.02 0.07 0.00 0.05 0.00 0.00 58.73 59.07 1uhr h TYR 59 Cb 0.27 0.25 -0.06 0.00 1.01 0.00 0.00 36.73 38.20 1uhr h TYR 59 CO -0.19 -0.46 0.46 -0.07 -1.05 0.00 0.00 178.16 176.85 1uhr h LEU 60 N -0.88 0.68 -1.90 3.88 3.38 -1.78 0.38 115.31 119.06 1uhr h LEU 60 Ca -0.08 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1uhr h LEU 60 Cb 0.66 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1uhr h LEU 60 CO 0.14 0.42 0.17 1.56 0.09 0.00 0.00 178.44 180.82 1uhr h GLN 61 N 0.81 0.00 0.00 1.13 4.20 0.14 1.79 115.11 123.17 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 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1uhr h GLN 61 CO -0.21 0.00 -1.43 1.04 -0.67 0.00 0.00 178.83 177.56 1uhr n GLN 62 N -2.64 0.33 -0.09 1.46 1.13 0.12 -2.93 117.38 114.77 1uhr n GLN 62 Ca -0.02 -0.09 -0.11 0.00 -1.94 0.00 0.00 57.00 54.84 1uhr n GLN 62 Cb 0.22 -1.53 -0.04 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 -1.91 1.47 0.09 5.09 5.41 0.30 -4.70 119.36 125.12 1uhr n ILE 63 Ca 0.00 0.08 -0.22 0.00 1.00 0.00 0.00 62.75 63.61 1uhr n ILE 63 Cb 0.45 -2.22 -0.13 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 -0.92 0.99 -1.74 1.39 0.04 0.20 -3.48 116.94 113.43 1uhr h PHE 64 Ca -0.10 -0.63 -0.22 0.00 2.80 0.00 0.00 57.97 59.82 1uhr h PHE 64 Cb 1.01 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 39.09 1uhr h PHE 64 CO -0.35 1.47 -0.29 0.39 -0.60 0.00 0.00 178.31 178.94 1uhr n GLU 65 N -3.82 -1.15 -3.84 1.51 1.02 -1.07 -4.99 120.64 108.32 1uhr n GLU 65 Ca -0.14 0.53 -0.30 0.00 -0.02 0.00 0.00 57.16 57.23 1uhr n GLU 65 Cb 0.98 -4.63 -0.14 0.00 -0.02 0.00 0.00 31.44 27.63 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 4.14 0.28 1.62 0.01 -1.26 -4.98 113.70 110.96 1uhr s SER 66 Ca 0.02 -2.35 -0.03 0.00 1.31 0.00 0.00 55.95 54.91 1uhr s SER 66 Cb -0.01 -1.25 0.60 0.00 0.21 0.00 0.00 66.02 65.56 1uhr s SER 66 CO 0.03 -0.32 1.59 1.56 0.41 0.00 0.00 173.24 176.50 1uhr h GLN 67 N 7.23 0.03 -3.20 12.44 4.20 -1.93 -3.35 115.11 130.54 1uhr h GLN 67 Ca -0.06 -0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.35 1uhr h GLN 67 Cb 0.96 -0.01 -0.35 0.00 0.30 0.00 0.00 27.48 28.38 1uhr h GLN 67 CO 0.53 0.02 -0.65 0.50 -0.67 0.00 0.00 178.83 178.56 1uhr s ARG 68 N -6.09 0.02 0.10 1.46 3.52 -1.26 -2.80 118.95 113.89 1uhr s ARG 68 Ca -0.14 0.45 0.00 0.00 -0.13 0.00 0.00 55.73 55.92 1uhr s ARG 68 Cb 0.27 -0.29 -0.04 0.00 -1.56 0.00 0.00 34.95 33.32 1uhr s ARG 68 CO 0.77 -0.27 -0.01 0.00 -0.81 0.00 0.00 175.30 174.98 1uhr s MET 69 N 1.91 0.82 0.25 5.12 0.23 -1.20 -4.96 119.30 121.47 1uhr s MET 69 Ca -0.00 -1.35 -0.29 0.00 -1.03 0.00 0.00 55.69 53.01 1uhr s MET 69 Cb -0.12 0.04 -0.09 0.00 -1.53 0.00 0.00 34.83 33.13 1uhr s MET 69 CO -0.05 -0.13 0.93 0.15 -2.03 0.00 0.00 175.02 173.89 1uhr s LYS 70 N -3.93 4.82 0.48 3.16 1.02 -1.26 -0.35 119.74 123.68 1uhr s LYS 70 Ca 0.15 1.46 0.25 0.00 0.02 0.00 0.00 55.97 57.85 1uhr s LYS 70 Cb 0.07 -3.23 1.30 0.00 -0.52 0.00 0.00 37.83 35.46 1uhr s LYS 70 CO -0.04 0.50 1.88 0.74 -0.92 0.00 0.00 175.35 177.51 1uhr h PHE 71 N 4.05 0.24 0.00 3.18 0.04 0.17 1.56 116.94 126.19 1uhr h PHE 71 Ca -0.45 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.32 1uhr h PHE 71 Cb 1.20 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.28 1uhr h PHE 71 CO 0.61 0.06 0.00 0.45 -0.60 0.00 0.00 178.31 178.83 1uhr n SER 72 N -4.39 0.35 -0.88 2.17 2.88 -1.26 -1.87 113.62 110.63 1uhr n SER 72 Ca 0.18 0.57 0.12 0.00 -1.33 0.00 0.00 58.87 58.41 1uhr n SER 72 Cb 0.83 -0.65 0.27 0.00 -0.75 0.00 0.00 64.21 63.91 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 -1.87 2.16 -0.02 -1.46 -0.58 0.53 -4.13 120.64 115.29 1uhr n GLU 73 Ca 0.04 -1.74 -0.16 0.00 -0.42 0.00 0.00 57.16 54.88 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 3.64 1.47 0.00 -3.67 1.08 -1.21 -2.82 117.51 116.00 1uhr h ILE 74 Ca 0.00 -1.94 0.00 0.00 -0.39 0.00 0.00 64.86 62.53 1uhr h ILE 74 Cb 0.79 2.60 0.00 0.00 -3.07 0.00 0.00 36.82 37.14 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 -4.38 0.07 0.09 2.37 -0.04 -1.26 -1.52 135.00 130.33 1uhr n PRO 75 Ca -0.10 0.19 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 1uhr n PRO 75 Cb 0.56 -1.61 0.10 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.71 -3.32 115.11 114.77 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 0.43 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.12 1uhr h GLN 76 CO 0.00 0.00 -1.45 0.54 -1.93 0.00 0.00 178.83 175.99 1uhr n ARG 77 N -2.40 0.87 -0.16 1.69 3.00 -0.98 -4.41 116.66 114.28 1uhr n ARG 77 Ca 0.02 -0.10 -0.10 0.00 -0.01 0.00 0.00 57.85 57.66 1uhr n ARG 77 Cb 0.49 -1.35 -0.00 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 0.77 -1.58 0.55 3.38 -1.37 -2.49 115.31 114.57 1uhr h LEU 78 Ca 0.00 -0.30 0.45 0.00 0.09 0.00 0.00 57.88 58.12 1uhr h LEU 78 Cb 0.64 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 41.08 1uhr h LEU 78 CO 0.00 0.88 0.96 0.45 0.09 0.00 0.00 178.44 180.82 1uhr h HIS 79 N 0.64 0.37 -0.08 1.13 3.86 -1.77 1.83 115.15 121.14 1uhr h HIS 79 Ca 0.13 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.30 1uhr h HIS 79 Cb 0.47 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.85 1uhr h HIS 79 CO 0.04 -0.13 -0.18 0.00 0.86 0.00 0.00 177.93 178.51 1uhr h ALA 80 N 1.46 0.12 0.00 2.45 0.00 -1.72 -2.91 119.26 118.67 1uhr h ALA 80 Ca 0.81 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1uhr h ALA 80 Cb 2.74 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.52 1uhr h ALA 80 CO -0.29 0.06 0.00 -0.07 0.00 0.00 0.00 179.25 178.95 1uhr h LEU 81 N -0.22 0.00 -8.54 0.00 3.38 0.21 -3.40 115.31 106.74 1uhr h LEU 81 Ca -0.00 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.27 1uhr h LEU 81 Cb 0.78 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.34 1uhr h LEU 81 CO 0.04 0.00 -0.25 -0.76 0.09 0.00 0.00 178.44 177.56 1uhr s LEU 82 N -5.41 4.90 0.24 1.67 1.43 0.50 -1.16 118.68 120.86 1uhr s LEU 82 Ca 0.03 -0.70 0.08 0.00 -1.03 0.00 0.00 54.13 52.51 1uhr s LEU 82 Cb 0.09 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 1uhr s LEU 82 CO 0.49 -0.55 0.06 -0.04 0.23 0.00 0.00 176.35 176.54 1uhr s MET 83 N 2.05 2.53 -0.33 1.70 -1.94 0.18 -4.76 119.30 118.73 1uhr s MET 83 Ca 0.11 -1.24 -0.29 0.00 -1.71 0.00 0.00 55.69 52.56 1uhr s MET 83 Cb -0.17 -2.33 0.00 0.00 2.01 0.00 0.00 34.83 34.33 1uhr s MET 83 CO 0.13 0.39 1.36 -1.25 -0.01 0.00 0.00 175.02 175.64 1uhr s PRO 84 N -3.60 3.80 -0.68 2.03 0.04 -1.26 0.13 135.00 135.47 1uhr s PRO 84 Ca 0.31 1.19 -0.06 0.00 0.04 0.00 0.00 61.00 62.48 1uhr s PRO 84 Cb -0.07 -3.94 -0.13 0.00 0.04 0.00 0.00 34.50 30.40 1uhr s PRO 84 CO 0.21 -1.27 2.64 -0.35 0.04 0.00 0.00 177.00 178.28 1uhr n PRO 85 N 7.57 2.21 -4.29 0.56 -0.04 -1.26 -4.82 135.00 134.93 1uhr n PRO 85 Ca 0.16 -1.32 -0.19 0.00 -0.04 0.00 0.00 63.50 62.11 1uhr n PRO 85 Cb 0.47 -2.28 -0.11 0.00 -0.04 0.00 0.00 33.50 31.54 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 2.26 1.16 0.00 0.54 8.01 -1.26 -5.01 118.70 124.40 1uhr s GLU 86 Ca 0.51 -1.37 -0.00 0.00 0.01 0.00 0.00 54.97 54.12 1uhr s GLU 86 Cb 0.18 -1.07 -0.00 0.00 -4.31 0.00 0.00 34.13 28.94 1uhr s GLU 86 CO -0.02 0.20 1.51 -0.35 0.01 0.00 0.00 175.26 176.60 1uhr n PRO 87 N 0.25 0.75 -3.15 0.39 -0.04 -1.26 -4.46 135.00 127.48 1uhr n PRO 87 Ca -0.13 -0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.37 1uhr n PRO 87 Cb 0.58 -1.13 -0.01 0.00 -0.04 0.00 0.00 33.50 32.90 1uhr n PRO 87 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uhr s SER 88 N 2.00 -1.33 -0.18 3.54 0.15 -1.26 -5.16 113.70 111.46 1uhr s SER 88 Ca 0.00 0.75 -0.29 0.00 0.70 0.00 0.00 55.95 57.11 1uhr s SER 88 Cb 0.00 2.08 0.12 0.00 -1.71 0.00 0.00 66.02 66.52 1uhr s SER 88 CO 0.00 -0.25 0.99 -0.83 1.20 0.00 0.00 173.24 174.36 1uhr s GLY 89 N 2.87 -0.26 1.06 9.45 0.00 -1.26 -4.98 107.32 114.19 1uhr s GLY 89 Ca 0.18 2.12 -0.17 0.00 0.00 0.00 0.00 44.72 46.85 1uhr s GLY 89 CO -0.21 1.16 1.21 2.56 0.00 0.00 0.00 173.10 177.82 1uhr s PRO 90 N -0.89 -0.09 -0.38 2.90 0.04 -1.26 -5.03 135.00 130.29 1uhr s PRO 90 Ca -0.01 -0.18 -0.03 0.00 0.04 0.00 0.00 61.00 60.82 1uhr s PRO 90 Cb -0.01 -1.74 0.09 0.00 0.04 0.00 0.00 34.50 32.88 1uhr s PRO 90 CO 0.01 -2.94 0.15 0.45 0.04 0.00 0.00 177.00 174.71 1uhr s SER 91 N -4.36 5.20 0.05 6.66 0.15 -1.26 -4.89 113.70 115.25 1uhr s SER 91 Ca 0.71 -1.74 -0.02 0.00 0.70 0.00 0.00 55.95 55.60 1uhr s SER 91 Cb -0.08 -1.82 -0.01 0.00 -1.71 0.00 0.00 66.02 62.41 1uhr s SER 91 CO 0.54 -0.46 -0.04 -0.24 1.20 0.00 0.00 173.24 174.24 1uhr n SER 92 N 4.64 1.09 0.00 5.45 2.88 -1.26 -5.37 113.62 121.05 1uhr n SER 92 Ca -0.06 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1uhr n SER 92 Cb 0.42 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 1uhr n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42