#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 -0.02 0.05 1.61 1.04 -1.26 -4.93 113.70 110.18 1uhr s SER 2 Ca 0.00 -0.03 0.05 0.00 0.48 0.00 0.00 55.95 56.45 1uhr s SER 2 Cb 0.00 0.22 -0.02 0.00 0.10 0.00 0.00 66.02 66.32 1uhr s SER 2 CO 0.00 -0.21 -0.13 -0.44 0.98 0.00 0.00 173.24 173.44 1uhr s SER 3 N -0.72 1.57 0.20 7.02 0.01 -1.26 -5.03 113.70 115.49 1uhr s SER 3 Ca -0.08 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.69 1uhr s SER 3 Cb -0.05 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.10 1uhr s SER 3 CO 0.01 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.26 1uhr n GLY 4 N 1.76 -5.27 3.15 3.44 0.00 -1.26 -5.05 105.19 101.95 1uhr n GLY 4 Ca -0.19 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1uhr n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uhr s SER 5 N -0.55 -1.30 0.03 1.61 1.04 -1.26 -5.04 113.70 108.23 1uhr s SER 5 Ca 0.00 -0.49 -0.11 0.00 0.48 0.00 0.00 55.95 55.83 1uhr s SER 5 Cb 0.00 1.86 -0.06 0.00 0.10 0.00 0.00 66.02 67.92 1uhr s SER 5 CO 0.00 -0.23 0.37 -0.44 0.98 0.00 0.00 173.24 173.92 1uhr s SER 6 N 2.18 6.66 0.19 7.02 0.01 -1.26 -4.96 113.70 123.53 1uhr s SER 6 Ca 0.14 0.79 0.00 0.00 1.31 0.00 0.00 55.95 58.19 1uhr s SER 6 Cb -0.07 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1uhr s SER 6 CO -0.14 0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.36 1uhr n GLY 7 N 1.27 1.89 3.63 3.44 0.00 -1.26 -4.50 105.19 109.66 1uhr n GLY 7 Ca -0.11 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 14.00 1.59 -1.54 1.61 6.02 -1.26 -4.96 117.38 132.83 1uhr n GLN 8 Ca 0.00 0.56 -0.29 0.00 -0.01 0.00 0.00 57.00 57.26 1uhr n GLN 8 Cb 0.00 -2.02 0.14 0.00 1.02 0.00 0.00 30.24 29.38 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 -1.72 1.04 0.29 -1.09 0.04 -1.26 -5.01 135.00 127.29 1uhr s PRO 9 Ca 0.58 0.25 -0.29 0.00 0.04 0.00 0.00 61.00 61.58 1uhr s PRO 9 Cb -0.64 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 31.97 1uhr s PRO 9 CO 0.60 -2.25 1.08 -1.25 0.04 0.00 0.00 177.00 175.22 1uhr s PRO 10 N -5.31 4.62 -0.18 0.56 0.04 -1.26 -5.04 135.00 128.43 1uhr s PRO 10 Ca 0.64 1.75 -0.04 0.00 0.04 0.00 0.00 61.00 63.39 1uhr s PRO 10 Cb -0.14 -3.14 0.08 0.00 0.04 0.00 0.00 34.50 31.34 1uhr s PRO 10 CO 0.53 0.22 0.24 -0.65 0.04 0.00 0.00 177.00 177.38 1uhr s GLN 11 N -1.51 0.18 -0.02 4.56 -0.21 -1.26 -3.64 119.66 117.76 1uhr s GLN 11 Ca 0.45 0.43 -0.01 0.00 0.02 0.00 0.00 55.36 56.25 1uhr s GLN 11 Cb -0.30 -0.71 -0.04 0.00 1.00 0.00 0.00 33.01 32.96 1uhr s GLN 11 CO 0.39 -0.51 0.06 -0.06 -2.12 0.00 0.00 175.29 173.04 1uhr s PHE 12 N 2.37 3.24 0.05 0.91 0.40 0.23 -4.45 117.98 120.75 1uhr s PHE 12 Ca 0.05 0.20 -0.30 0.00 -0.60 0.00 0.00 56.93 56.28 1uhr s PHE 12 Cb -0.14 -1.74 -0.05 0.00 0.51 0.00 0.00 43.02 41.60 1uhr s PHE 12 CO -0.11 0.53 1.03 0.21 0.70 0.00 0.00 175.22 177.59 1uhr s LYS 13 N -1.53 4.57 0.26 0.44 2.20 0.41 -3.38 119.74 122.70 1uhr s LYS 13 Ca 0.20 1.53 -0.19 0.00 -0.36 0.00 0.00 55.97 57.15 1uhr s LYS 13 Cb -0.12 -3.40 -0.09 0.00 -1.51 0.00 0.00 37.83 32.71 1uhr s LYS 13 CO 0.11 -0.02 0.76 -0.51 -0.36 0.00 0.00 175.35 175.33 1uhr s LEU 14 N 0.66 4.26 1.11 5.43 1.43 -1.14 -0.05 118.68 130.38 1uhr s LEU 14 Ca 0.52 1.44 -0.15 0.00 -1.03 0.00 0.00 54.13 54.90 1uhr s LEU 14 Cb -0.24 -3.78 0.17 0.00 0.03 0.00 0.00 46.19 42.37 1uhr s LEU 14 CO 0.29 -0.05 0.50 -0.67 0.23 0.00 0.00 176.35 176.65 1uhr n ASP 15 N 0.40 -1.93 0.14 2.29 2.03 -0.84 -4.37 116.55 114.27 1uhr n ASP 15 Ca -0.00 -0.05 0.13 0.00 0.52 0.00 0.00 54.79 55.39 1uhr n ASP 15 Cb 0.52 -1.13 0.45 0.00 -0.72 0.00 0.00 41.12 40.23 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 -2.23 0.00 0.00 -0.67 0.13 -1.96 1.01 132.00 128.28 1uhr h PRO 16 Ca -0.55 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.30 1uhr h PRO 16 Cb 1.34 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.41 1uhr h PRO 16 CO 0.42 0.00 -2.11 0.54 -0.23 0.00 0.00 178.00 176.62 1uhr n ARG 17 N -2.39 0.67 -0.09 0.86 1.74 -1.26 -4.31 116.66 111.87 1uhr n ARG 17 Ca 0.04 0.05 -0.23 0.00 -0.77 0.00 0.00 57.85 56.93 1uhr n ARG 17 Cb 0.34 -1.60 -0.12 0.00 -1.02 0.00 0.00 32.46 30.07 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 -2.75 2.03 -0.64 0.55 7.94 -1.14 -2.52 117.00 120.45 1uhr n LEU 18 Ca -0.24 0.36 0.49 0.00 -1.11 0.00 0.00 56.01 55.52 1uhr n LEU 18 Cb 1.03 -0.96 0.77 0.00 0.53 0.00 0.00 43.42 44.79 1uhr n LEU 18 CO 0.44 0.44 1.40 0.00 -1.11 0.00 0.00 177.39 178.55 1uhr n ALA 19 N -3.49 1.74 -0.09 1.96 0.00 0.35 0.79 120.51 121.77 1uhr n ALA 19 Ca -0.36 0.69 -0.23 0.00 0.00 0.00 0.00 53.44 53.54 1uhr n ALA 19 Cb 0.78 -1.10 -0.12 0.00 0.00 0.00 0.00 19.45 19.01 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 -4.07 0.63 -0.38 0.00 1.74 -1.26 -1.41 116.66 111.90 1uhr n ARG 20 Ca 0.43 0.39 -0.10 0.00 -0.77 0.00 0.00 57.85 57.79 1uhr n ARG 20 Cb 1.88 -1.66 -0.08 0.00 -1.02 0.00 0.00 32.46 31.58 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 -0.64 -2.04 0.00 0.55 5.85 0.68 -0.62 115.31 119.08 1uhr h LEU 21 Ca -0.47 0.32 -0.26 0.00 0.84 0.00 0.00 57.88 58.30 1uhr h LEU 21 Cb 1.61 0.91 -0.04 0.00 0.37 0.00 0.00 40.66 43.51 1uhr h LEU 21 CO -0.18 -0.26 -1.49 -0.07 -0.34 0.00 0.00 178.44 176.11 1uhr h LEU 22 N -0.05 0.00 0.00 2.25 3.38 -1.31 -3.48 115.31 116.11 1uhr h LEU 22 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1uhr h LEU 22 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1uhr h LEU 22 CO -0.91 0.97 0.00 0.61 0.09 0.00 0.00 178.44 179.21 1uhr n GLY 23 N 1.49 0.76 3.58 0.83 0.00 -0.24 -5.01 105.19 106.59 1uhr n GLY 23 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.38 3.78 0.04 -0.61 1.01 -0.96 -4.81 121.20 117.26 1uhr s ILE 24 Ca 0.00 0.71 -0.28 0.00 0.00 0.00 0.00 60.65 61.08 1uhr s ILE 24 Cb 0.00 -4.31 -0.17 0.00 0.01 0.00 0.00 42.46 37.99 1uhr s ILE 24 CO 0.00 -1.01 1.40 0.45 0.00 0.00 0.00 174.94 175.79 1uhr h HIS 25 N 11.26 -0.56 -1.33 3.97 3.86 -1.95 -3.40 115.15 127.00 1uhr h HIS 25 Ca -0.27 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 58.94 1uhr h HIS 25 Cb 1.10 0.18 -0.23 0.00 1.06 0.00 0.00 27.41 29.52 1uhr h HIS 25 CO 1.01 -0.26 -0.32 0.99 0.86 0.00 0.00 177.93 180.21 1uhr s THR 26 N -5.28 -0.88 0.00 2.45 2.01 -1.26 -2.87 115.64 109.80 1uhr s THR 26 Ca -0.15 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.83 1uhr s THR 26 Cb 0.03 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.60 1uhr s THR 26 CO 0.57 -0.03 0.00 0.00 -0.69 0.00 0.00 174.62 174.47 1uhr n GLN 27 N 5.41 1.02 -1.55 4.92 3.00 -1.22 -4.91 117.38 124.06 1uhr n GLN 27 Ca -0.02 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.76 1uhr n GLN 27 Cb 0.51 0.00 0.13 0.00 0.00 0.00 0.00 30.24 30.88 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 0.06 5.09 -2.24 -1.24 -0.60 114.28 115.35 1uhr n THR 28 Ca 0.00 -0.82 -0.20 0.00 -2.27 0.00 0.00 64.05 60.75 1uhr n THR 28 Cb 0.00 -1.49 -0.14 0.00 -2.10 0.00 0.00 70.33 66.60 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 0.35 0.00 -0.78 2.43 -1.96 -1.53 114.38 112.88 1uhr h ARG 29 Ca -0.30 -0.57 0.00 0.00 -0.81 0.00 0.00 59.98 58.31 1uhr h ARG 29 Cb 0.87 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1uhr h ARG 29 CO 0.23 1.26 0.00 -0.35 -1.51 0.00 0.00 179.97 179.60 1uhr n PRO 30 N -4.07 0.31 -0.13 0.20 -0.04 -1.26 -1.17 135.00 128.84 1uhr n PRO 30 Ca -0.14 0.07 -0.23 0.00 -0.04 0.00 0.00 63.50 63.16 1uhr n PRO 30 Cb 0.85 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.29 1.52 -0.01 0.52 0.31 -1.22 -3.98 118.33 114.17 1uhr n VAL 31 Ca 0.11 -0.49 -0.13 0.00 -0.01 0.00 0.00 64.34 63.82 1uhr n VAL 31 Cb 0.18 -1.63 -0.09 0.00 -0.91 0.00 0.00 33.84 31.40 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 -0.41 1.33 -0.80 2.52 2.04 -1.20 0.75 117.51 121.73 1uhr h ILE 32 Ca -0.62 -0.99 0.18 0.00 1.00 0.00 0.00 64.86 64.43 1uhr h ILE 32 Cb 1.78 1.95 -0.12 0.00 -0.74 0.00 0.00 36.82 39.69 1uhr h ILE 32 CO -0.22 0.26 0.26 -0.29 0.00 0.00 0.00 178.15 178.17 1uhr h ILE 33 N -0.35 0.50 0.51 -0.67 2.10 -1.38 0.10 117.51 118.33 1uhr h ILE 33 Ca 0.01 -0.11 -0.03 0.00 1.08 0.00 0.00 64.86 65.81 1uhr h ILE 33 Cb 0.43 0.14 0.01 0.00 -1.09 0.00 0.00 36.82 36.31 1uhr h ILE 33 CO 0.00 0.06 -0.25 1.56 -1.08 0.00 0.00 178.15 178.45 1uhr h GLN 34 N 0.33 -0.66 -1.88 2.19 1.08 -1.66 0.39 115.11 114.90 1uhr h GLN 34 Ca 0.47 0.05 0.55 0.00 -1.45 0.00 0.00 58.65 58.27 1uhr h GLN 34 Cb 0.84 0.15 -0.09 0.00 -0.05 0.00 0.00 27.48 28.33 1uhr h GLN 34 CO -0.52 -0.44 1.34 0.00 -0.95 0.00 0.00 178.83 178.26 1uhr h ALA 35 N -1.31 3.72 0.02 3.87 0.00 -0.21 1.66 119.26 127.01 1uhr h ALA 35 Ca -0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1uhr h ALA 35 Cb 0.53 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1uhr h ALA 35 CO 0.12 -2.29 -0.23 1.25 0.00 0.00 0.00 179.25 178.09 1uhr h LEU 36 N 0.00 0.06 -0.81 0.00 5.85 -0.66 -3.24 115.31 116.52 1uhr h LEU 36 Ca 0.92 -0.95 0.13 0.00 0.84 0.00 0.00 57.88 58.83 1uhr h LEU 36 Cb 3.61 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 44.53 1uhr h LEU 36 CO -0.07 1.10 0.40 -0.50 -0.34 0.00 0.00 178.44 179.03 1uhr h TRP 37 N -0.92 0.70 0.00 1.25 4.06 0.44 1.37 115.95 122.85 1uhr h TRP 37 Ca -0.05 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.93 1uhr h TRP 37 Cb 1.11 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 29.08 1uhr h TRP 37 CO 0.25 0.18 0.00 0.94 -3.56 0.00 0.00 178.44 176.25 1uhr n GLN 38 N -4.88 0.09 -0.07 0.49 -0.06 0.21 -1.23 117.38 111.93 1uhr n GLN 38 Ca 0.15 0.54 -0.19 0.00 -2.00 0.00 0.00 57.00 55.50 1uhr n GLN 38 Cb 0.39 -1.77 -0.12 0.00 -4.06 0.00 0.00 30.24 24.68 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 0.07 0.00 3.69 3.20 0.18 -1.51 116.97 122.61 1uhr h TYR 39 Ca 0.00 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.78 1uhr h TYR 39 Cb 0.06 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 1uhr h TYR 39 CO 0.00 1.33 -0.17 0.82 -1.64 0.00 0.00 178.16 178.50 1uhr h ILE 40 N -0.89 0.60 0.00 1.81 2.04 -0.81 1.39 117.51 121.65 1uhr h ILE 40 Ca -0.22 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 64.84 1uhr h ILE 40 Cb 1.27 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 1uhr h ILE 40 CO -0.09 0.16 -0.28 0.11 0.00 0.00 0.00 178.15 178.05 1uhr h LYS 41 N 0.00 0.00 -0.37 2.37 1.57 -1.28 0.44 116.57 119.29 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 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1uhr h LYS 41 CO 0.02 0.80 -0.09 1.15 -0.57 0.00 0.00 179.45 180.76 1uhr h THR 42 N -1.00 1.28 -0.05 -0.16 2.02 -1.13 -2.27 112.91 111.61 1uhr h THR 42 Ca -0.07 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 65.94 1uhr h THR 42 Cb 0.88 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1uhr h THR 42 CO -0.04 0.39 0.00 1.41 0.37 0.00 0.00 175.52 177.64 1uhr n HIS 43 N -4.38 0.05 -4.11 3.16 8.25 0.48 -4.92 115.22 113.76 1uhr n HIS 43 Ca -0.02 -0.03 -0.43 0.00 -0.26 0.00 0.00 57.72 56.99 1uhr n HIS 43 Cb 0.35 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.46 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 -0.37 -0.36 -0.03 -0.41 5.02 -0.50 -4.77 118.16 116.74 1uhr n LYS 44 Ca 0.18 0.03 0.11 0.00 -2.02 0.00 0.00 58.31 56.61 1uhr n LYS 44 Cb 0.20 -2.48 0.52 0.00 -0.02 0.00 0.00 35.03 33.25 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 -4.82 0.95 -4.62 -0.35 4.77 0.14 -4.91 117.00 108.17 1uhr n LEU 45 Ca -0.14 -0.38 -0.48 0.00 -0.03 0.00 0.00 56.01 54.98 1uhr n LEU 45 Cb 0.56 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 1uhr n LEU 45 CO 0.73 0.19 0.89 1.67 -1.33 0.00 0.00 177.39 179.54 1uhr n GLN 46 N -0.18 1.54 -1.99 3.23 7.27 -1.24 -0.79 117.38 125.22 1uhr n GLN 46 Ca 0.17 0.55 -0.42 0.00 0.07 0.00 0.00 57.00 57.37 1uhr n GLN 46 Cb 0.23 -2.15 -0.03 0.00 2.41 0.00 0.00 30.24 30.70 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 0.25 6.65 0.03 1.69 -1.08 -0.72 -4.55 116.67 118.94 1uhr s ASP 47 Ca 0.74 2.42 0.22 0.00 -0.52 0.00 0.00 52.55 55.41 1uhr s ASP 47 Cb -0.78 -2.57 0.93 0.00 -1.46 0.00 0.00 42.92 39.04 1uhr s ASP 47 CO 0.49 -0.84 1.70 -0.81 0.52 0.00 0.00 175.17 176.23 1uhr n PRO 48 N 5.36 0.03 -0.06 4.34 -0.04 -1.26 -3.17 135.00 140.20 1uhr n PRO 48 Ca 0.15 0.15 -0.17 0.00 -0.04 0.00 0.00 63.50 63.59 1uhr n PRO 48 Cb 0.41 -1.54 -0.13 0.00 -0.04 0.00 0.00 33.50 32.20 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 0.10 -4.20 0.54 3.86 -1.95 -3.48 115.15 110.02 1uhr h HIS 49 Ca 0.00 -0.07 -0.12 0.00 -1.16 0.00 0.00 60.37 59.01 1uhr h HIS 49 Cb 0.40 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 1uhr h HIS 49 CO 0.00 1.21 -0.09 0.39 0.86 0.00 0.00 177.93 180.30 1uhr n GLU 50 N -4.45 1.77 -0.00 2.45 4.71 -1.19 -5.06 120.64 118.87 1uhr n GLU 50 Ca -0.17 -0.68 0.00 0.00 -0.01 0.00 0.00 57.16 56.30 1uhr n GLU 50 Cb 0.61 0.18 -0.00 0.00 -1.01 0.00 0.00 31.44 31.22 1uhr n GLU 50 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1uhr n ARG 51 N -0.24 6.59 -0.00 3.49 5.12 -1.26 -4.44 116.66 125.93 1uhr n ARG 51 Ca -0.04 -0.00 0.07 0.00 -1.93 0.00 0.00 57.85 55.95 1uhr n ARG 51 Cb 0.12 -0.53 -0.09 0.00 -1.16 0.00 0.00 32.46 30.80 1uhr n ARG 51 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1uhr n GLU 52 N -1.03 1.81 -2.99 5.56 0.00 -1.26 -4.97 120.64 117.76 1uhr n GLU 52 Ca 0.00 -0.04 -0.20 0.00 0.00 0.00 0.00 57.16 56.91 1uhr n GLU 52 Cb 0.00 -1.20 0.02 0.00 0.00 0.00 0.00 31.44 30.25 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 -2.51 3.00 -0.09 -1.84 0.40 -1.26 0.67 117.98 116.35 1uhr s PHE 53 Ca 0.02 -0.07 -0.04 0.00 -0.60 0.00 0.00 56.93 56.23 1uhr s PHE 53 Cb 0.10 -2.39 0.04 0.00 0.51 0.00 0.00 43.02 41.28 1uhr s PHE 53 CO 0.56 -0.45 0.20 0.54 0.70 0.00 0.00 175.22 176.77 1uhr s VAL 54 N -2.49 -0.04 -0.47 -0.44 0.11 0.90 -1.75 120.40 116.22 1uhr s VAL 54 Ca 0.52 0.16 -0.24 0.00 -2.93 0.00 0.00 61.98 59.49 1uhr s VAL 54 Cb -0.10 -0.32 0.03 0.00 -1.53 0.00 0.00 36.38 34.46 1uhr s VAL 54 CO 0.36 0.06 0.83 -0.76 -3.33 0.00 0.00 175.10 172.26 1uhr s LEU 55 N 1.20 4.21 0.20 2.54 1.43 0.03 -2.56 118.68 125.72 1uhr s LEU 55 Ca -0.09 -0.13 -0.32 0.00 -1.03 0.00 0.00 54.13 52.57 1uhr s LEU 55 Cb -0.11 -2.97 -0.11 0.00 0.03 0.00 0.00 46.19 43.03 1uhr s LEU 55 CO -0.07 -0.98 1.63 0.00 0.23 0.00 0.00 176.35 177.15 1uhr n ASP 57 N 3.75 -1.07 0.06 0.00 5.75 -1.26 -4.40 116.55 119.37 1uhr n ASP 57 Ca 0.14 -0.41 -0.00 0.00 -0.01 0.00 0.00 54.79 54.51 1uhr n ASP 57 Cb 0.37 0.00 0.29 0.00 -1.03 0.00 0.00 41.12 40.75 1uhr n ASP 57 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 1uhr h LYS 58 N 0.00 0.36 0.09 0.11 2.10 -1.97 0.40 116.57 117.66 1uhr h LYS 58 Ca 0.00 -0.11 -0.00 0.00 -2.00 0.00 0.00 60.65 58.54 1uhr h LYS 58 Cb 0.00 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 1uhr h LYS 58 CO 0.00 0.54 -0.04 1.88 -2.00 0.00 0.00 179.45 179.82 1uhr h TYR 59 N 0.34 -0.12 -0.65 0.07 0.05 -1.99 -3.13 116.97 111.54 1uhr h TYR 59 Ca 0.06 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.80 1uhr h TYR 59 Cb 0.52 0.04 -0.03 0.00 1.01 0.00 0.00 36.73 38.26 1uhr h TYR 59 CO 0.01 0.41 0.27 -0.07 -1.05 0.00 0.00 178.16 177.73 1uhr h LEU 60 N -0.77 0.86 -2.37 3.88 3.38 -1.86 -0.30 115.31 118.13 1uhr h LEU 60 Ca -0.01 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1uhr h LEU 60 Cb 0.57 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1uhr h LEU 60 CO 0.02 0.76 0.11 1.56 0.09 0.00 0.00 178.44 180.98 1uhr h GLN 61 N 0.93 0.00 0.00 1.13 4.20 -0.24 1.68 115.11 122.81 1uhr h GLN 61 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1uhr h GLN 61 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1uhr h GLN 61 CO -0.02 0.00 -1.30 1.04 -0.67 0.00 0.00 178.83 177.88 1uhr n GLN 62 N -2.85 0.23 -0.08 1.46 1.13 -0.17 -2.95 117.38 114.16 1uhr n GLN 62 Ca -0.02 -0.06 -0.09 0.00 -1.94 0.00 0.00 57.00 54.89 1uhr n GLN 62 Cb 0.16 -1.52 -0.03 0.00 0.11 0.00 0.00 30.24 28.97 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 -1.78 1.47 0.14 5.09 5.41 0.20 -4.72 119.36 125.17 1uhr n ILE 63 Ca 0.01 0.15 -0.25 0.00 1.00 0.00 0.00 62.75 63.67 1uhr n ILE 63 Cb 0.41 -2.25 -0.16 0.00 -0.71 0.00 0.00 39.64 36.94 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 -0.89 0.99 -1.39 1.39 0.04 0.19 -3.48 116.94 113.79 1uhr h PHE 64 Ca -0.02 -0.71 -0.20 0.00 2.80 0.00 0.00 57.97 59.85 1uhr h PHE 64 Cb 0.91 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 39.00 1uhr h PHE 64 CO -0.37 1.55 -0.25 0.39 -0.60 0.00 0.00 178.31 179.03 1uhr n GLU 65 N -3.74 -0.78 -3.85 1.51 1.02 -0.99 -4.99 120.64 108.82 1uhr n GLU 65 Ca -0.17 0.48 -0.30 0.00 -0.02 0.00 0.00 57.16 57.15 1uhr n GLU 65 Cb 1.09 -4.52 -0.14 0.00 -0.02 0.00 0.00 31.44 27.84 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 -2.56 4.16 0.28 1.62 0.01 -1.26 -4.98 113.70 110.97 1uhr s SER 66 Ca 0.00 -2.37 -0.03 0.00 1.31 0.00 0.00 55.95 54.86 1uhr s SER 66 Cb 0.00 -1.28 0.58 0.00 0.21 0.00 0.00 66.02 65.53 1uhr s SER 66 CO 0.00 -0.32 1.59 0.06 0.41 0.00 0.00 173.24 174.98 1uhr h GLN 67 N 7.21 0.04 -3.28 12.44 3.07 -1.93 -3.33 115.11 129.32 1uhr h GLN 67 Ca -0.06 -0.00 -0.33 0.00 0.09 0.00 0.00 58.65 58.35 1uhr h GLN 67 Cb 0.96 -0.01 -0.37 0.00 0.08 0.00 0.00 27.48 28.15 1uhr h GLN 67 CO 0.53 0.02 -0.70 0.50 0.09 0.00 0.00 178.83 179.28 1uhr s ARG 68 N -6.10 -0.03 0.19 0.06 3.52 -1.26 -2.16 118.95 113.17 1uhr s ARG 68 Ca -0.14 0.39 -0.00 0.00 -0.13 0.00 0.00 55.73 55.86 1uhr s ARG 68 Cb 0.26 -0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 33.23 1uhr s ARG 68 CO 0.77 -0.29 0.09 0.00 -0.81 0.00 0.00 175.30 175.07 1uhr s MET 69 N 1.95 1.18 0.23 5.12 0.23 -1.06 -4.97 119.30 121.97 1uhr s MET 69 Ca 0.01 -1.61 -0.18 0.00 -1.03 0.00 0.00 55.69 52.89 1uhr s MET 69 Cb -0.12 0.10 -0.08 0.00 -1.53 0.00 0.00 34.83 33.20 1uhr s MET 69 CO -0.04 -0.32 0.69 0.15 -2.03 0.00 0.00 175.02 173.48 1uhr s LYS 70 N -4.09 4.15 0.51 3.16 1.02 -1.26 -0.07 119.74 123.16 1uhr s LYS 70 Ca 0.34 0.75 0.24 0.00 0.02 0.00 0.00 55.97 57.32 1uhr s LYS 70 Cb 0.07 -2.80 1.33 0.00 -0.52 0.00 0.00 37.83 35.92 1uhr s LYS 70 CO 0.09 0.36 1.98 0.74 -0.92 0.00 0.00 175.35 177.60 1uhr h PHE 71 N 3.20 0.09 0.00 3.18 0.04 -0.07 1.04 116.94 124.42 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 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.31 1uhr h PHE 71 CO 0.63 0.04 0.00 0.43 -0.60 0.00 0.00 178.31 178.81 1uhr n SER 72 N -4.39 0.06 -0.85 2.17 7.64 -1.26 -2.27 113.62 114.71 1uhr n SER 72 Ca 0.11 0.51 0.12 0.00 1.01 0.00 0.00 58.87 60.61 1uhr n SER 72 Cb 0.61 -0.52 0.28 0.00 -1.01 0.00 0.00 64.21 63.56 1uhr n SER 72 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1uhr n GLU 73 N -1.56 2.13 0.01 1.43 -0.58 0.36 -4.10 120.64 118.34 1uhr n GLU 73 Ca 0.06 -1.69 -0.18 0.00 -0.42 0.00 0.00 57.16 54.93 1uhr n GLU 73 Cb 0.29 -1.46 -0.13 0.00 -0.57 0.00 0.00 31.44 29.57 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 3.57 1.52 0.00 -3.67 2.04 -1.33 -2.87 117.51 116.77 1uhr h ILE 74 Ca 0.00 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.60 1uhr h ILE 74 Cb 0.78 2.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.80 1uhr h ILE 74 CO 0.00 0.64 0.00 -0.81 0.00 0.00 0.00 178.15 177.98 1uhr n PRO 75 N -4.27 0.10 0.08 2.37 -0.04 -1.26 -1.67 135.00 130.31 1uhr n PRO 75 Ca -0.12 0.21 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 1uhr n PRO 75 Cb 0.68 -1.65 0.08 0.00 -0.04 0.00 0.00 33.50 32.57 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 -3.32 115.11 114.78 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 0.45 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.14 1uhr h GLN 76 CO 0.00 0.00 -0.62 0.54 -1.93 0.00 0.00 178.83 176.82 1uhr n ARG 77 N -2.37 1.91 0.04 1.69 3.00 -0.99 -4.35 116.66 115.59 1uhr n ARG 77 Ca 0.02 -0.20 -0.13 0.00 -0.01 0.00 0.00 57.85 57.52 1uhr n ARG 77 Cb 0.49 -1.23 -0.02 0.00 0.00 0.00 0.00 32.46 31.70 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 0.45 0.62 -1.64 0.55 3.38 -1.41 -3.07 115.31 114.19 1uhr h LEU 78 Ca 0.00 -0.43 0.44 0.00 0.09 0.00 0.00 57.88 57.98 1uhr h LEU 78 Cb 0.41 -0.18 -0.10 0.00 0.09 0.00 0.00 40.66 40.87 1uhr h LEU 78 CO 0.00 1.20 0.98 0.45 0.09 0.00 0.00 178.44 181.16 1uhr h HIS 79 N 0.33 0.32 0.02 1.13 3.86 -1.76 1.76 115.15 120.81 1uhr h HIS 79 Ca -0.05 0.01 -0.14 0.00 -1.16 0.00 0.00 60.37 59.03 1uhr h HIS 79 Cb 1.40 -0.08 0.01 0.00 1.06 0.00 0.00 27.41 29.80 1uhr h HIS 79 CO 0.06 -0.10 -0.56 0.00 0.86 0.00 0.00 177.93 178.19 1uhr h ALA 80 N 1.42 0.04 0.00 2.45 0.00 -1.83 -3.05 119.26 118.30 1uhr h ALA 80 Ca 0.79 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1uhr h ALA 80 Cb 2.75 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.58 1uhr h ALA 80 CO -0.24 0.30 0.00 1.28 0.00 0.00 0.00 179.25 180.59 1uhr n LEU 81 N -4.26 0.12 -4.37 0.00 4.77 0.48 -4.44 117.00 109.30 1uhr n LEU 81 Ca -0.11 0.53 -0.39 0.00 -0.03 0.00 0.00 56.01 56.01 1uhr n LEU 81 Cb 0.66 -0.51 -0.12 0.00 -2.33 0.00 0.00 43.42 41.13 1uhr n LEU 81 CO 0.45 -0.27 -0.21 -0.76 -1.33 0.00 0.00 177.39 175.27 1uhr s LEU 82 N -3.27 4.28 0.26 2.23 1.43 0.48 -1.98 118.68 122.11 1uhr s LEU 82 Ca 0.07 -0.81 0.11 0.00 -1.03 0.00 0.00 54.13 52.47 1uhr s LEU 82 Cb 0.10 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 1uhr s LEU 82 CO 0.32 -0.28 -0.15 -0.04 0.23 0.00 0.00 176.35 176.44 1uhr s MET 83 N 1.54 1.84 -0.28 1.70 -1.94 0.92 -4.78 119.30 118.30 1uhr s MET 83 Ca 0.02 -1.62 -0.29 0.00 -1.71 0.00 0.00 55.69 52.10 1uhr s MET 83 Cb -0.18 -1.90 -0.00 0.00 2.01 0.00 0.00 34.83 34.75 1uhr s MET 83 CO 0.05 0.35 1.34 -1.25 -0.01 0.00 0.00 175.02 175.50 1uhr s PRO 84 N -3.40 3.93 0.42 2.03 0.04 -1.26 0.15 135.00 136.91 1uhr s PRO 84 Ca 0.29 1.33 -0.07 0.00 0.04 0.00 0.00 61.00 62.59 1uhr s PRO 84 Cb -0.06 -3.89 0.10 0.00 0.04 0.00 0.00 34.50 30.69 1uhr s PRO 84 CO 0.16 -1.11 0.47 -0.35 0.04 0.00 0.00 177.00 176.21 1uhr n PRO 85 N 7.30 -1.15 -4.27 0.56 -0.04 -1.26 -4.85 135.00 131.28 1uhr n PRO 85 Ca 0.15 -0.73 -0.16 0.00 -0.04 0.00 0.00 63.50 62.72 1uhr n PRO 85 Cb 0.46 -0.58 -0.10 0.00 -0.04 0.00 0.00 33.50 33.24 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 -4.04 1.10 0.00 0.54 -1.05 -1.26 -5.05 118.70 108.95 1uhr s GLU 86 Ca 0.28 -1.40 0.00 0.00 -0.15 0.00 0.00 54.97 53.70 1uhr s GLU 86 Cb -0.02 -0.83 0.00 0.00 -0.44 0.00 0.00 34.13 32.84 1uhr s GLU 86 CO 0.21 0.13 0.00 -0.35 0.95 0.00 0.00 175.26 176.20 1uhr n PRO 87 N 0.04 0.65 -2.96 -4.83 -0.04 -1.26 -4.80 135.00 121.80 1uhr n PRO 87 Ca -0.12 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.34 1uhr n PRO 87 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 1uhr n PRO 87 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1uhr n SER 88 N -0.70 -7.30 -3.60 3.54 7.64 -1.26 -5.04 113.62 106.91 1uhr n SER 88 Ca 0.00 0.90 -0.10 0.00 1.01 0.00 0.00 58.87 60.69 1uhr n SER 88 Cb 0.00 -3.47 -0.02 0.00 -1.01 0.00 0.00 64.21 59.71 1uhr n SER 88 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1uhr s GLY 89 N -1.34 -0.40 -0.26 0.23 0.00 -1.26 -5.13 107.32 99.16 1uhr s GLY 89 Ca 0.01 0.23 -0.29 0.00 0.00 0.00 0.00 44.72 44.67 1uhr s GLY 89 CO 0.41 0.08 1.33 2.56 0.00 0.00 0.00 173.10 177.47 1uhr s PRO 90 N -3.74 3.97 -0.15 2.90 0.04 -1.26 -4.99 135.00 131.77 1uhr s PRO 90 Ca 0.05 1.37 -0.10 0.00 0.04 0.00 0.00 61.00 62.36 1uhr s PRO 90 Cb -0.03 -3.87 0.05 0.00 0.04 0.00 0.00 34.50 30.69 1uhr s PRO 90 CO -0.05 -1.05 0.38 -1.54 0.04 0.00 0.00 177.00 174.78 1uhr s SER 91 N 2.77 -0.44 0.20 6.66 1.04 -1.26 -5.16 113.70 117.50 1uhr s SER 91 Ca 0.57 0.80 0.04 0.00 0.48 0.00 0.00 55.95 57.85 1uhr s SER 91 Cb -0.19 0.73 -0.03 0.00 0.10 0.00 0.00 66.02 66.63 1uhr s SER 91 CO 0.22 -0.17 0.28 -0.55 0.98 0.00 0.00 173.24 174.01 1uhr s SER 92 N 0.90 6.13 0.00 7.02 0.15 -1.26 -5.26 113.70 121.38 1uhr s SER 92 Ca -0.06 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1uhr s SER 92 Cb -0.06 -1.77 0.00 0.00 -1.71 0.00 0.00 66.02 62.47 1uhr s SER 92 CO -0.07 -0.00 0.00 0.61 1.20 0.00 0.00 173.24 174.98