#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 6.33 0.34 1.61 0.15 -1.26 -5.12 113.70 115.74 1uhr s SER 2 Ca 0.00 0.24 0.04 0.00 0.70 0.00 0.00 55.95 56.92 1uhr s SER 2 Cb 0.00 -1.94 -0.06 0.00 -1.71 0.00 0.00 66.02 62.32 1uhr s SER 2 CO 0.00 -0.12 0.07 -0.44 1.20 0.00 0.00 173.24 173.95 1uhr s SER 3 N -3.80 2.38 0.43 5.45 0.01 -1.26 -5.16 113.70 111.74 1uhr s SER 3 Ca 0.36 -1.43 0.05 0.00 1.31 0.00 0.00 55.95 56.24 1uhr s SER 3 Cb -0.10 0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.17 1uhr s SER 3 CO 0.31 -0.67 0.60 -0.83 0.41 0.00 0.00 173.24 173.06 1uhr s GLY 4 N -3.50 1.76 -0.29 3.44 0.00 -1.26 -4.98 107.32 102.49 1uhr s GLY 4 Ca 0.34 -1.43 -0.16 0.00 0.00 0.00 0.00 44.72 43.48 1uhr s GLY 4 CO 0.15 -1.26 0.97 -0.56 0.00 0.00 0.00 173.10 172.40 1uhr s SER 5 N -4.29 -0.55 0.22 1.64 0.01 -1.26 -5.18 113.70 104.28 1uhr s SER 5 Ca 0.52 0.83 0.04 0.00 1.31 0.00 0.00 55.95 58.65 1uhr s SER 5 Cb -0.10 1.38 -0.05 0.00 0.21 0.00 0.00 66.02 67.46 1uhr s SER 5 CO 0.34 -0.13 -0.03 -0.55 0.41 0.00 0.00 173.24 173.29 1uhr s SER 6 N 1.74 1.87 0.00 2.44 0.15 -1.26 -4.88 113.70 113.76 1uhr s SER 6 Ca -0.07 -1.18 0.00 0.00 0.70 0.00 0.00 55.95 55.40 1uhr s SER 6 Cb -0.05 -0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 1uhr s SER 6 CO -0.16 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.43 1uhr n GLY 7 N -0.38 1.14 2.36 9.45 0.00 -1.26 -4.61 105.19 111.89 1uhr n GLY 7 Ca -0.06 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 1.52 -1.53 1.61 10.64 -1.26 -5.11 117.38 123.24 1uhr n GLN 8 Ca 0.00 -3.78 -0.29 0.00 -1.83 0.00 0.00 57.00 51.10 1uhr n GLN 8 Cb 0.00 -1.73 0.17 0.00 -0.86 0.00 0.00 30.24 27.82 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 -2.25 0.57 0.89 2.61 0.04 -1.26 -5.05 135.00 130.55 1uhr s PRO 9 Ca 0.40 0.07 -0.12 0.00 0.04 0.00 0.00 61.00 61.39 1uhr s PRO 9 Cb 0.26 -1.79 0.12 0.00 0.04 0.00 0.00 34.50 33.13 1uhr s PRO 9 CO -0.09 -2.54 1.13 -1.25 0.04 0.00 0.00 177.00 174.29 1uhr s PRO 10 N -5.43 1.32 -0.30 0.56 0.04 -1.26 -5.07 135.00 124.86 1uhr s PRO 10 Ca 0.67 0.36 -0.07 0.00 0.04 0.00 0.00 61.00 62.00 1uhr s PRO 10 Cb -0.11 -1.85 0.18 0.00 0.04 0.00 0.00 34.50 32.75 1uhr s PRO 10 CO 0.54 -2.09 0.79 -0.65 0.04 0.00 0.00 177.00 175.63 1uhr s GLN 11 N -5.25 0.42 0.04 4.56 -0.21 -1.26 -4.03 119.66 113.93 1uhr s GLN 11 Ca 0.63 0.80 -0.00 0.00 0.02 0.00 0.00 55.36 56.81 1uhr s GLN 11 Cb -0.15 0.46 -0.04 0.00 1.00 0.00 0.00 33.01 34.28 1uhr s GLN 11 CO 0.53 -0.39 0.17 -0.06 -2.12 0.00 0.00 175.29 173.43 1uhr s PHE 12 N 2.85 3.46 0.09 0.91 0.40 -0.54 -4.60 117.98 120.55 1uhr s PHE 12 Ca 0.09 0.25 -0.30 0.00 -0.60 0.00 0.00 56.93 56.37 1uhr s PHE 12 Cb -0.12 -1.75 -0.05 0.00 0.51 0.00 0.00 43.02 41.60 1uhr s PHE 12 CO -0.17 0.59 1.04 0.21 0.70 0.00 0.00 175.22 177.59 1uhr s LYS 13 N -2.29 4.60 0.23 0.44 2.20 0.16 -3.49 119.74 121.59 1uhr s LYS 13 Ca 0.31 1.56 -0.20 0.00 -0.36 0.00 0.00 55.97 57.28 1uhr s LYS 13 Cb -0.13 -3.37 -0.08 0.00 -1.51 0.00 0.00 37.83 32.74 1uhr s LYS 13 CO 0.24 0.04 0.74 -0.51 -0.36 0.00 0.00 175.35 175.49 1uhr s LEU 14 N 0.34 4.33 0.99 5.43 1.43 -0.20 -0.58 118.68 130.41 1uhr s LEU 14 Ca 0.51 1.43 -0.13 0.00 -1.03 0.00 0.00 54.13 54.91 1uhr s LEU 14 Cb -0.25 -3.63 0.09 0.00 0.03 0.00 0.00 46.19 42.43 1uhr s LEU 14 CO 0.30 0.02 0.56 -0.67 0.23 0.00 0.00 176.35 176.79 1uhr n ASP 15 N 0.67 -1.56 0.15 2.29 2.03 -0.28 -4.47 116.55 115.38 1uhr n ASP 15 Ca -0.02 0.24 0.13 0.00 0.52 0.00 0.00 54.79 55.67 1uhr n ASP 15 Cb 0.51 -1.23 0.45 0.00 -0.72 0.00 0.00 41.12 40.12 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 -1.80 0.00 0.00 -0.67 0.13 -1.96 1.11 132.00 128.81 1uhr h PRO 16 Ca -0.46 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.40 1uhr h PRO 16 Cb 1.29 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.38 1uhr h PRO 16 CO 0.37 0.00 -2.10 0.54 -0.23 0.00 0.00 178.00 176.58 1uhr n ARG 17 N -2.49 0.67 -0.08 0.86 1.74 -1.26 -4.36 116.66 111.74 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 -1.59 -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 2.23 -0.48 0.55 7.94 -1.15 -2.75 117.00 120.63 1uhr n LEU 18 Ca -0.23 0.29 0.40 0.00 -1.11 0.00 0.00 56.01 55.36 1uhr n LEU 18 Cb 1.00 -0.99 0.66 0.00 0.53 0.00 0.00 43.42 44.61 1uhr n LEU 18 CO 0.44 0.57 1.18 0.00 -1.11 0.00 0.00 177.39 178.47 1uhr n ALA 19 N -3.38 1.36 -0.08 1.96 0.00 0.38 0.67 120.51 121.42 1uhr n ALA 19 Ca -0.37 0.78 -0.22 0.00 0.00 0.00 0.00 53.44 53.63 1uhr n ALA 19 Cb 0.86 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.19 1uhr n ALA 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1uhr n ARG 20 N -4.44 0.61 -0.38 0.00 1.74 -1.26 -0.98 116.66 111.95 1uhr n ARG 20 Ca 0.38 0.50 -0.03 0.00 -0.77 0.00 0.00 57.85 57.93 1uhr n ARG 20 Cb 1.54 -1.73 0.02 0.00 -1.02 0.00 0.00 32.46 31.27 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 -0.77 -1.54 0.11 0.55 5.85 0.43 -0.44 115.31 119.50 1uhr h LEU 21 Ca -0.38 0.31 -0.33 0.00 0.84 0.00 0.00 57.88 58.32 1uhr h LEU 21 Cb 1.48 0.79 -0.01 0.00 0.37 0.00 0.00 40.66 43.28 1uhr h LEU 21 CO -0.16 -0.28 -1.73 -0.07 -0.34 0.00 0.00 178.44 175.86 1uhr h LEU 22 N -0.01 0.38 0.00 2.25 3.38 -1.09 -3.48 115.31 116.74 1uhr h LEU 22 Ca 0.32 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1uhr h LEU 22 Cb 0.57 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1uhr h LEU 22 CO -0.98 1.56 0.00 0.61 0.09 0.00 0.00 178.44 179.72 1uhr n GLY 23 N 1.78 2.26 3.65 0.83 0.00 -0.15 -5.06 105.19 108.50 1uhr n GLY 23 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.44 4.84 -0.08 -0.61 1.01 -0.83 -4.77 121.20 118.32 1uhr s ILE 24 Ca 0.00 1.59 -0.01 0.00 0.00 0.00 0.00 60.65 62.23 1uhr s ILE 24 Cb 0.00 -4.12 -0.26 0.00 0.01 0.00 0.00 42.46 38.09 1uhr s ILE 24 CO 0.00 -0.06 0.54 1.12 0.00 0.00 0.00 174.94 176.54 1uhr h HIS 25 N 7.62 0.36 -3.12 3.97 2.07 -1.94 -3.37 115.15 120.74 1uhr h HIS 25 Ca -0.24 -0.26 -0.17 0.00 -2.85 0.00 0.00 60.37 56.85 1uhr h HIS 25 Cb 1.10 -0.01 -0.26 0.00 2.57 0.00 0.00 27.41 30.80 1uhr h HIS 25 CO 0.75 1.50 -0.43 0.99 -3.07 0.00 0.00 177.93 177.67 1uhr s THR 26 N -2.58 -0.00 0.01 6.12 2.01 -1.26 -1.04 115.64 118.90 1uhr s THR 26 Ca -0.15 0.01 -0.22 0.00 0.31 0.00 0.00 61.69 61.64 1uhr s THR 26 Cb 0.07 -0.35 0.07 0.00 0.01 0.00 0.00 72.50 72.30 1uhr s THR 26 CO 0.80 0.01 0.99 1.67 -0.69 0.00 0.00 174.62 177.40 1uhr n GLN 27 N 3.06 0.21 -0.00 4.92 -0.06 -1.23 -5.02 117.38 119.26 1uhr n GLN 27 Ca -0.14 -0.71 -0.00 0.00 -2.00 0.00 0.00 57.00 54.15 1uhr n GLN 27 Cb 0.58 1.12 0.00 0.00 -4.06 0.00 0.00 30.24 27.88 1uhr n GLN 27 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1uhr n THR 28 N -0.71 0.00 0.03 1.69 -2.24 -1.26 -1.47 114.28 110.32 1uhr n THR 28 Ca 0.03 -0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.59 1uhr n THR 28 Cb 0.46 -1.66 -0.14 0.00 -2.10 0.00 0.00 70.33 66.89 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 0.28 0.00 -0.78 9.65 -1.98 -2.70 114.38 118.85 1uhr h ARG 29 Ca -0.00 -0.47 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 1uhr h ARG 29 Cb 0.00 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.76 1uhr h ARG 29 CO 0.00 1.23 0.00 -0.35 2.80 0.00 0.00 179.97 183.65 1uhr n PRO 30 N -3.94 0.00 -0.00 0.20 -0.04 -1.26 0.02 135.00 129.98 1uhr n PRO 30 Ca -0.22 0.13 0.10 0.00 -0.04 0.00 0.00 63.50 63.46 1uhr n PRO 30 Cb 0.90 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.50 0.00 -0.12 0.52 0.31 -1.25 -3.74 118.33 112.56 1uhr n VAL 31 Ca 0.05 -0.23 -0.15 0.00 -0.01 0.00 0.00 64.34 64.01 1uhr n VAL 31 Cb 0.25 0.57 -0.13 0.00 -0.91 0.00 0.00 33.84 33.62 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 -1.79 1.43 -0.14 2.52 5.41 -0.94 -3.55 119.36 122.30 1uhr n ILE 32 Ca 0.00 -0.67 -0.10 0.00 1.00 0.00 0.00 62.75 62.99 1uhr n ILE 32 Cb 0.40 -1.06 -0.01 0.00 -0.71 0.00 0.00 39.64 38.26 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 0.00 1.25 0.64 1.39 2.10 -0.61 -2.85 117.51 119.44 1uhr h ILE 33 Ca -0.56 -0.93 -0.03 0.00 1.08 0.00 0.00 64.86 64.41 1uhr h ILE 33 Cb 2.01 1.09 0.01 0.00 -1.09 0.00 0.00 36.82 38.84 1uhr h ILE 33 CO -0.04 0.32 -0.31 1.56 -1.08 0.00 0.00 178.15 178.59 1uhr h GLN 34 N 0.51 -0.83 -1.97 2.19 1.08 -1.77 -0.40 115.11 113.92 1uhr h GLN 34 Ca 0.12 0.06 0.57 0.00 -1.45 0.00 0.00 58.65 57.95 1uhr h GLN 34 Cb 0.42 0.19 -0.08 0.00 -0.05 0.00 0.00 27.48 27.96 1uhr h GLN 34 CO 0.01 -0.52 1.41 0.00 -0.95 0.00 0.00 178.83 178.79 1uhr n ALA 35 N -2.64 1.89 -0.07 3.87 0.00 -1.22 0.16 120.51 122.50 1uhr n ALA 35 Ca -0.12 0.66 -0.12 0.00 0.00 0.00 0.00 53.44 53.86 1uhr n ALA 35 Cb 0.36 -1.14 -0.10 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.66 0.00 5.85 -1.22 -3.20 115.31 116.08 1uhr h LEU 36 Ca 0.94 -0.73 0.12 0.00 0.84 0.00 0.00 57.88 59.05 1uhr h LEU 36 Cb 3.76 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 44.71 1uhr h LEU 36 CO -0.03 0.97 0.22 -0.50 -0.34 0.00 0.00 178.44 178.77 1uhr h TRP 37 N -1.00 0.37 0.00 1.25 4.06 0.33 1.34 115.95 122.30 1uhr h TRP 37 Ca -0.04 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.94 1uhr h TRP 37 Cb 0.85 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 28.94 1uhr h TRP 37 CO 0.19 0.04 0.00 0.94 -3.56 0.00 0.00 178.44 176.06 1uhr n GLN 38 N -5.04 0.13 -0.08 0.49 -0.06 0.28 -0.61 117.38 112.49 1uhr n GLN 38 Ca 0.11 0.62 -0.19 0.00 -2.00 0.00 0.00 57.00 55.53 1uhr n GLN 38 Cb 0.34 -1.91 -0.12 0.00 -4.06 0.00 0.00 30.24 24.49 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 0.06 0.00 3.69 3.20 0.17 -1.99 116.97 122.11 1uhr h TYR 39 Ca 0.00 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.78 1uhr h TYR 39 Cb 0.01 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 1uhr h TYR 39 CO 0.00 1.34 -0.22 0.82 -1.64 0.00 0.00 178.16 178.46 1uhr h ILE 40 N -0.90 0.70 0.00 1.81 2.04 -0.50 1.27 117.51 121.93 1uhr h ILE 40 Ca -0.23 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 64.69 1uhr h ILE 40 Cb 1.27 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 38.94 1uhr h ILE 40 CO -0.11 0.22 -0.00 0.11 0.00 0.00 0.00 178.15 178.36 1uhr h LYS 41 N 0.00 0.00 -0.26 2.37 1.57 -0.99 0.47 116.57 119.73 1uhr h LYS 41 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1uhr h LYS 41 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1uhr h LYS 41 CO 0.03 0.87 -0.16 1.15 -0.57 0.00 0.00 179.45 180.77 1uhr h THR 42 N -1.00 1.30 -0.01 -0.16 2.02 -1.22 -2.54 112.91 111.30 1uhr h THR 42 Ca -0.00 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 65.90 1uhr h THR 42 Cb 0.87 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 1uhr h THR 42 CO -0.00 0.40 0.00 1.41 0.37 0.00 0.00 175.52 177.70 1uhr n HIS 43 N -4.43 0.01 -4.09 3.16 8.25 0.44 -4.92 115.22 113.64 1uhr n HIS 43 Ca -0.04 -0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 56.95 1uhr n HIS 43 Cb 0.38 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.50 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 -0.62 -0.28 -0.03 -0.41 5.02 -0.07 -4.78 118.16 117.00 1uhr n LYS 44 Ca 0.22 0.07 0.12 0.00 -2.02 0.00 0.00 58.31 56.69 1uhr n LYS 44 Cb 0.18 -2.57 0.55 0.00 -0.02 0.00 0.00 35.03 33.16 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 -5.05 0.86 -4.63 -0.35 4.77 0.14 -4.90 117.00 107.84 1uhr n LEU 45 Ca -0.12 -0.34 -0.47 0.00 -0.03 0.00 0.00 56.01 55.06 1uhr n LEU 45 Cb 0.57 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1uhr n LEU 45 CO 0.75 0.17 0.90 1.67 -1.33 0.00 0.00 177.39 179.55 1uhr n GLN 46 N -0.25 1.67 -2.05 3.23 0.00 -1.25 0.14 117.38 118.87 1uhr n GLN 46 Ca 0.17 0.59 -0.42 0.00 -0.00 0.00 0.00 57.00 57.35 1uhr n GLN 46 Cb 0.22 -2.19 -0.03 0.00 0.00 0.00 0.00 30.24 28.24 1uhr n GLN 46 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1uhr s ASP 47 N 0.20 6.71 0.34 1.69 2.15 -0.22 -4.50 116.67 123.04 1uhr s ASP 47 Ca 0.71 2.43 0.26 0.00 0.43 0.00 0.00 52.55 56.39 1uhr s ASP 47 Cb -0.74 -2.58 0.89 0.00 -0.30 0.00 0.00 42.92 40.19 1uhr s ASP 47 CO 0.50 -0.76 1.77 1.55 -0.17 0.00 0.00 175.17 178.06 1uhr h PRO 48 N 7.16 0.00 0.04 4.34 0.13 -1.89 -3.23 132.00 138.55 1uhr h PRO 48 Ca -0.42 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1uhr h PRO 48 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1uhr h PRO 48 CO 0.90 0.00 -0.02 0.45 -0.23 0.00 0.00 178.00 179.10 1uhr h HIS 49 N 0.00 -0.04 -4.56 1.56 3.86 -1.96 -3.48 115.15 110.54 1uhr h HIS 49 Ca 0.00 -0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.01 1uhr h HIS 49 Cb 0.63 0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.09 1uhr h HIS 49 CO 0.00 0.54 -0.10 0.39 0.86 0.00 0.00 177.93 179.62 1uhr n GLU 50 N -4.73 1.30 -0.00 2.45 -0.58 -1.22 -5.06 120.64 112.80 1uhr n GLU 50 Ca -0.07 -1.15 0.01 0.00 -0.42 0.00 0.00 57.16 55.53 1uhr n GLU 50 Cb 0.29 0.16 -0.01 0.00 -0.57 0.00 0.00 31.44 31.32 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 -0.83 6.34 -0.00 3.49 1.85 -1.26 -4.45 116.66 121.80 1uhr n ARG 51 Ca -0.02 -0.00 0.06 0.00 -1.00 0.00 0.00 57.85 56.89 1uhr n ARG 51 Cb 0.21 -0.58 -0.09 0.00 -1.05 0.00 0.00 32.46 30.95 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 -1.05 1.44 -2.69 2.89 0.00 -1.26 -4.95 120.64 115.02 1uhr n GLU 52 Ca 0.00 -0.07 -0.24 0.00 0.00 0.00 0.00 57.16 56.85 1uhr n GLU 52 Cb 0.02 -1.22 0.02 0.00 0.00 0.00 0.00 31.44 30.27 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 -2.60 3.19 -0.09 -1.84 0.40 -1.26 0.13 117.98 115.90 1uhr s PHE 53 Ca -0.01 0.37 -0.04 0.00 -0.60 0.00 0.00 56.93 56.66 1uhr s PHE 53 Cb 0.09 -2.55 0.05 0.00 0.51 0.00 0.00 43.02 41.12 1uhr s PHE 53 CO 0.54 -0.63 0.20 0.54 0.70 0.00 0.00 175.22 176.57 1uhr s VAL 54 N -2.77 -0.19 -0.59 -0.44 0.11 0.41 -1.05 120.40 115.87 1uhr s VAL 54 Ca 0.52 0.25 -0.27 0.00 -2.93 0.00 0.00 61.98 59.55 1uhr s VAL 54 Cb -0.10 -0.33 0.03 0.00 -1.53 0.00 0.00 36.38 34.45 1uhr s VAL 54 CO 0.41 0.10 1.13 -0.76 -3.33 0.00 0.00 175.10 172.65 1uhr s LEU 55 N 1.81 3.62 0.22 2.54 1.43 0.12 -3.16 118.68 125.26 1uhr s LEU 55 Ca -0.03 -0.12 -0.32 0.00 -1.03 0.00 0.00 54.13 52.63 1uhr s LEU 55 Cb -0.12 -2.98 -0.12 0.00 0.03 0.00 0.00 46.19 43.00 1uhr s LEU 55 CO -0.07 -1.45 1.65 0.00 0.23 0.00 0.00 176.35 176.71 1uhr s ASP 57 N 0.94 0.72 0.46 0.00 2.15 -1.26 -4.31 116.67 115.36 1uhr s ASP 57 Ca 0.73 0.64 0.20 0.00 0.43 0.00 0.00 52.55 54.55 1uhr s ASP 57 Cb -0.54 -0.88 1.17 0.00 -0.30 0.00 0.00 42.92 42.37 1uhr s ASP 57 CO 0.38 -4.25 1.91 0.07 -0.17 0.00 0.00 175.17 173.11 1uhr h LYS 58 N -2.67 0.28 0.23 4.34 2.10 -1.97 1.28 116.57 120.17 1uhr h LYS 58 Ca -0.45 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.18 1uhr h LYS 58 Cb 1.30 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1uhr h LYS 58 CO 0.33 0.19 -0.11 1.88 -2.00 0.00 0.00 179.45 179.73 1uhr h TYR 59 N 0.29 -0.29 -0.57 0.07 0.05 -1.99 -3.08 116.97 111.44 1uhr h TYR 59 Ca 0.38 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 59.15 1uhr h TYR 59 Cb 1.07 0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.88 1uhr h TYR 59 CO -0.00 0.06 0.34 -0.07 -1.05 0.00 0.00 178.16 177.45 1uhr h LEU 60 N -0.94 0.68 -2.86 3.88 3.38 -1.65 0.88 115.31 118.68 1uhr h LEU 60 Ca -0.03 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1uhr h LEU 60 Cb 0.49 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1uhr h LEU 60 CO 0.05 0.53 0.03 1.56 0.09 0.00 0.00 178.44 180.70 1uhr h GLN 61 N 0.79 0.00 0.00 1.13 4.20 0.16 1.69 115.11 123.08 1uhr h GLN 61 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1uhr h GLN 61 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1uhr h GLN 61 CO -0.04 0.00 -1.32 1.04 -0.67 0.00 0.00 178.83 177.84 1uhr n GLN 62 N -3.04 0.24 -0.06 1.46 1.13 0.24 -3.03 117.38 114.32 1uhr n GLN 62 Ca -0.03 -0.06 -0.06 0.00 -1.94 0.00 0.00 57.00 54.90 1uhr n GLN 62 Cb 0.10 -1.51 -0.02 0.00 0.11 0.00 0.00 30.24 28.91 1uhr n GLN 62 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1uhr n ILE 63 N -1.79 1.18 0.07 5.09 5.41 0.11 -4.69 119.36 124.74 1uhr n ILE 63 Ca 0.01 0.22 -0.16 0.00 1.00 0.00 0.00 62.75 63.83 1uhr n ILE 63 Cb 0.42 -2.11 -0.07 0.00 -0.71 0.00 0.00 39.64 37.17 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 -0.72 0.73 -2.28 1.39 0.04 0.20 -3.48 116.94 112.82 1uhr h PHE 64 Ca 0.00 -0.41 -0.28 0.00 2.80 0.00 0.00 57.97 60.08 1uhr h PHE 64 Cb 0.72 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.79 1uhr h PHE 64 CO -0.31 1.24 -0.38 0.39 -0.60 0.00 0.00 178.31 178.66 1uhr n GLU 65 N -3.76 -1.61 -3.88 1.51 1.02 -0.92 -4.98 120.64 108.04 1uhr n GLU 65 Ca -0.08 0.68 -0.30 0.00 -0.02 0.00 0.00 57.16 57.44 1uhr n GLU 65 Cb 0.87 -4.97 -0.14 0.00 -0.02 0.00 0.00 31.44 27.18 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 -2.45 4.23 0.29 1.62 0.01 -1.26 -4.98 113.70 111.16 1uhr s SER 66 Ca 0.04 -2.49 -0.03 0.00 1.31 0.00 0.00 55.95 54.77 1uhr s SER 66 Cb -0.02 -1.38 0.60 0.00 0.21 0.00 0.00 66.02 65.43 1uhr s SER 66 CO 0.05 -0.31 1.57 1.56 0.41 0.00 0.00 173.24 176.52 1uhr h GLN 67 N 7.08 0.00 -2.87 12.44 4.20 -1.92 -3.34 115.11 130.69 1uhr h GLN 67 Ca -0.06 -0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.45 1uhr h GLN 67 Cb 0.95 -0.00 -0.31 0.00 0.30 0.00 0.00 27.48 28.42 1uhr h GLN 67 CO 0.56 0.00 -0.50 0.50 -0.67 0.00 0.00 178.83 178.72 1uhr s ARG 68 N -6.14 0.18 0.19 1.46 3.52 -1.26 -2.82 118.95 114.08 1uhr s ARG 68 Ca -0.14 0.71 -0.00 0.00 -0.13 0.00 0.00 55.73 56.17 1uhr s ARG 68 Cb 0.28 -0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 33.59 1uhr s ARG 68 CO 0.78 -0.25 0.08 0.00 -0.81 0.00 0.00 175.30 175.10 1uhr s MET 69 N 2.12 1.14 0.22 5.12 0.23 -1.19 -4.96 119.30 121.98 1uhr s MET 69 Ca -0.02 -1.58 -0.24 0.00 -1.03 0.00 0.00 55.69 52.82 1uhr s MET 69 Cb -0.11 0.06 -0.08 0.00 -1.53 0.00 0.00 34.83 33.16 1uhr s MET 69 CO -0.09 -0.29 0.80 0.15 -2.03 0.00 0.00 175.02 173.56 1uhr s LYS 70 N -4.06 4.48 0.55 3.16 1.02 -1.26 -0.45 119.74 123.19 1uhr s LYS 70 Ca 0.32 1.11 0.29 0.00 0.02 0.00 0.00 55.97 57.71 1uhr s LYS 70 Cb 0.07 -3.05 1.46 0.00 -0.52 0.00 0.00 37.83 35.79 1uhr s LYS 70 CO 0.08 0.46 1.92 0.74 -0.92 0.00 0.00 175.35 177.62 1uhr h PHE 71 N 3.80 0.00 0.00 3.18 0.04 0.79 1.48 116.94 126.22 1uhr h PHE 71 Ca -0.47 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.30 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 0.63 0.00 0.00 0.45 -0.60 0.00 0.00 178.31 178.79 1uhr n SER 72 N -4.09 0.46 -0.93 2.17 2.88 -1.26 -1.99 113.62 110.85 1uhr n SER 72 Ca 0.13 0.58 0.11 0.00 -1.33 0.00 0.00 58.87 58.36 1uhr n SER 72 Cb 0.78 -0.69 0.27 0.00 -0.75 0.00 0.00 64.21 63.82 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 -1.97 2.21 -0.02 -1.46 -0.58 0.50 -4.12 120.64 115.20 1uhr n GLU 73 Ca 0.04 -1.84 -0.16 0.00 -0.42 0.00 0.00 57.16 54.78 1uhr n GLU 73 Cb 0.29 -1.46 -0.12 0.00 -0.57 0.00 0.00 31.44 29.58 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 3.51 1.54 0.00 -3.67 1.08 -1.34 -2.74 117.51 115.90 1uhr h ILE 74 Ca 0.00 -2.06 0.00 0.00 -0.39 0.00 0.00 64.86 62.41 1uhr h ILE 74 Cb 0.78 2.83 0.00 0.00 -3.07 0.00 0.00 36.82 37.36 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 -4.42 0.07 0.03 2.37 -0.04 -1.26 -1.56 135.00 130.19 1uhr n PRO 75 Ca -0.10 0.19 0.12 0.00 -0.04 0.00 0.00 63.50 63.66 1uhr n PRO 75 Cb 0.56 -1.61 0.11 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.73 0.24 -0.00 0.54 6.02 -1.21 -3.86 117.38 117.37 1uhr n GLN 76 Ca 0.05 0.03 0.06 0.00 -0.01 0.00 0.00 57.00 57.13 1uhr n GLN 76 Cb 0.28 -1.61 -0.08 0.00 1.02 0.00 0.00 30.24 29.85 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 -1.93 2.44 -0.02 -1.09 3.00 -0.96 -4.46 116.66 113.64 1uhr n ARG 77 Ca 0.03 -0.02 -0.17 0.00 -0.01 0.00 0.00 57.85 57.68 1uhr n ARG 77 Cb 0.42 -1.13 -0.08 0.00 0.00 0.00 0.00 32.46 31.67 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 0.80 -1.38 0.55 3.38 -1.40 -3.10 115.31 114.17 1uhr h LEU 78 Ca 0.00 -0.64 0.45 0.00 0.09 0.00 0.00 57.88 57.78 1uhr h LEU 78 Cb 0.35 -0.24 -0.14 0.00 0.09 0.00 0.00 40.66 40.72 1uhr h LEU 78 CO 0.00 1.31 0.86 0.45 0.09 0.00 0.00 178.44 181.15 1uhr h HIS 79 N 0.34 0.53 -0.02 1.13 3.86 -1.78 1.51 115.15 120.72 1uhr h HIS 79 Ca -0.05 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1uhr h HIS 79 Cb 1.31 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.65 1uhr h HIS 79 CO 0.10 -0.25 -0.04 0.00 0.86 0.00 0.00 177.93 178.60 1uhr h ALA 80 N 1.62 0.03 0.00 2.45 0.00 -1.82 -2.74 119.26 118.80 1uhr h ALA 80 Ca 0.85 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1uhr h ALA 80 Cb 2.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.46 1uhr h ALA 80 CO -0.45 -0.15 0.00 1.28 0.00 0.00 0.00 179.25 179.93 1uhr n LEU 81 N -4.75 0.28 -4.60 0.00 4.77 0.45 -4.44 117.00 108.70 1uhr n LEU 81 Ca -0.08 0.60 -0.37 0.00 -0.03 0.00 0.00 56.01 56.12 1uhr n LEU 81 Cb 0.31 -0.59 -0.11 0.00 -2.33 0.00 0.00 43.42 40.71 1uhr n LEU 81 CO 0.35 -0.54 -0.20 -0.76 -1.33 0.00 0.00 177.39 174.91 1uhr s LEU 82 N -3.67 3.95 0.25 2.23 1.43 0.25 -1.12 118.68 122.00 1uhr s LEU 82 Ca 0.02 0.02 0.10 0.00 -1.03 0.00 0.00 54.13 53.24 1uhr s LEU 82 Cb 0.06 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 1uhr s LEU 82 CO 0.21 0.02 -0.16 -0.04 0.23 0.00 0.00 176.35 176.60 1uhr s MET 83 N 1.33 1.52 -0.33 1.70 -1.94 0.25 -4.83 119.30 117.01 1uhr s MET 83 Ca 0.07 -1.70 -0.29 0.00 -1.71 0.00 0.00 55.69 52.06 1uhr s MET 83 Cb -0.15 -1.43 0.00 0.00 2.01 0.00 0.00 34.83 35.26 1uhr s MET 83 CO 0.06 0.24 1.36 -1.25 -0.01 0.00 0.00 175.02 175.42 1uhr s PRO 84 N -3.59 3.80 0.00 2.03 0.04 -1.26 0.39 135.00 136.42 1uhr s PRO 84 Ca 0.27 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1uhr s PRO 84 Cb -0.02 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.58 1uhr s PRO 84 CO 0.11 -1.27 0.00 -0.35 0.04 0.00 0.00 177.00 175.53 1uhr n PRO 85 N 7.57 0.61 -1.44 0.56 -0.04 -1.26 -4.89 135.00 136.11 1uhr n PRO 85 Ca 0.16 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.29 1uhr n PRO 85 Cb 0.47 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.01 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 -0.77 2.31 0.00 0.54 1.03 -1.26 -5.04 118.70 115.50 1uhr s GLU 86 Ca 0.00 1.44 0.00 0.00 0.03 0.00 0.00 54.97 56.44 1uhr s GLU 86 Cb 0.00 -1.89 0.00 0.00 -0.80 0.00 0.00 34.13 31.44 1uhr s GLU 86 CO 0.00 -1.64 0.00 -0.35 -1.33 0.00 0.00 175.26 171.94 1uhr n PRO 87 N -2.96 0.66 -3.92 -4.83 -0.04 -1.26 -5.03 135.00 117.62 1uhr n PRO 87 Ca 0.11 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.23 1uhr n PRO 87 Cb 0.52 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.84 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 -1.25 4.90 0.00 3.54 0.15 -1.26 -5.03 113.70 114.75 1uhr s SER 88 Ca 0.00 -1.66 0.00 0.00 0.70 0.00 0.00 55.95 54.99 1uhr s SER 88 Cb 0.00 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.61 1uhr s SER 88 CO 0.00 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1uhr n GLY 89 N 4.52 -2.97 3.79 9.45 0.00 -1.26 -5.04 105.19 113.67 1uhr n GLY 89 Ca -0.07 -2.17 -0.29 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.96 1.14 -0.04 1.61 0.04 -1.26 -5.09 135.00 130.44 1uhr s PRO 90 Ca 0.00 0.29 -0.28 0.00 0.04 0.00 0.00 61.00 61.05 1uhr s PRO 90 Cb 0.00 -1.84 0.06 0.00 0.04 0.00 0.00 34.50 32.76 1uhr s PRO 90 CO 0.00 -2.19 0.60 -1.12 0.04 0.00 0.00 177.00 174.33 1uhr s SER 91 N -4.03 -0.56 0.33 6.66 0.01 -1.26 -5.13 113.70 109.72 1uhr s SER 91 Ca 0.64 0.59 0.07 0.00 1.31 0.00 0.00 55.95 58.56 1uhr s SER 91 Cb -0.15 0.49 -0.02 0.00 0.21 0.00 0.00 66.02 66.55 1uhr s SER 91 CO 0.53 -0.58 0.32 -0.55 0.41 0.00 0.00 173.24 173.37 1uhr s SER 92 N -1.22 5.39 0.00 2.44 0.15 -1.26 -5.27 113.70 113.93 1uhr s SER 92 Ca -0.12 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.09 1uhr s SER 92 Cb -0.01 -1.02 0.00 0.00 -1.71 0.00 0.00 66.02 63.28 1uhr s SER 92 CO 0.09 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.78