#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2v8s n SER 3 N 0.00 0.86 -0.29 0.00 3.41 -1.26 -4.87 113.62 111.46 2v8s n SER 3 Ca 0.00 -1.63 -0.01 0.00 -0.26 0.00 0.00 58.87 56.97 2v8s n SER 3 Cb 0.00 -0.19 0.18 0.00 -0.26 0.00 0.00 64.21 63.94 2v8s n SER 3 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2v8s h SER 4 N 0.01 1.00 0.82 4.04 0.02 -1.95 -0.62 113.55 116.87 2v8s h SER 4 Ca -0.12 -0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.68 2v8s h SER 4 Cb 0.53 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2v8s h SER 4 CO 0.16 0.73 -0.62 0.00 -1.14 0.00 0.00 176.83 175.96 2v8s h ALA 5 N 1.45 0.84 0.00 3.77 0.00 -1.93 -3.33 119.26 120.06 2v8s h ALA 5 Ca 0.32 -0.56 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 2v8s h ALA 5 Cb -0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2v8s h ALA 5 CO -0.07 0.77 -2.04 0.00 0.00 0.00 0.00 179.25 177.91 2v8s n ALA 6 N -2.36 2.27 -2.82 0.00 0.00 -0.97 -4.58 120.51 112.05 2v8s n ALA 6 Ca -0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 53.44 52.50 2v8s n ALA 6 Cb 0.66 -0.59 -0.12 0.00 0.00 0.00 0.00 19.45 19.40 2v8s n ALA 6 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2v8s s SER 7 N -5.00 0.85 0.00 0.00 0.15 -0.28 -4.98 113.70 104.45 2v8s s SER 7 Ca -0.08 -0.43 0.26 0.00 0.70 0.00 0.00 55.95 56.41 2v8s s SER 7 Cb 0.11 -0.00 0.73 0.00 -1.71 0.00 0.00 66.02 65.15 2v8s s SER 7 CO 0.87 -0.12 1.55 -1.54 1.20 0.00 0.00 173.24 175.21 2v8s n SER 8 N 1.88 1.47 -0.19 5.45 3.41 -1.26 -4.43 113.62 119.95 2v8s n SER 8 Ca -0.20 -1.27 -0.04 0.00 -0.26 0.00 0.00 58.87 57.11 2v8s n SER 8 Cb 0.56 0.11 0.06 0.00 -0.26 0.00 0.00 64.21 64.68 2v8s n SER 8 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2v8s h GLU 9 N 2.05 0.59 -0.21 4.33 4.81 -1.94 0.13 114.58 124.33 2v8s h GLU 9 Ca 0.00 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 2v8s h GLU 9 Cb 0.57 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 2v8s h GLU 9 CO 0.00 0.39 -0.31 1.25 -0.73 0.00 0.00 179.01 179.61 2v8s h HIS 10 N 0.61 0.72 -0.72 0.92 2.76 -1.94 -0.32 115.15 117.18 2v8s h HIS 10 Ca 0.25 -0.24 0.16 0.00 -2.20 0.00 0.00 60.37 58.34 2v8s h HIS 10 Cb 0.11 -0.14 -0.12 0.00 1.55 0.00 0.00 27.41 28.81 2v8s h HIS 10 CO -0.08 0.97 0.05 0.35 -1.30 0.00 0.00 177.93 177.91 2v8s h PHE 11 N 0.27 0.03 -0.54 5.26 3.57 -1.80 -2.11 116.94 121.62 2v8s h PHE 11 Ca 0.02 0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.47 2v8s h PHE 11 Cb 0.89 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 2v8s h PHE 11 CO 0.08 -0.19 -0.06 0.93 -2.23 0.00 0.00 178.31 176.85 2v8s h GLU 12 N 0.14 0.96 -0.09 1.11 5.08 -0.33 0.42 114.58 121.87 2v8s h GLU 12 Ca 0.40 -0.32 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 2v8s h GLU 12 Cb 0.69 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.79 2v8s h GLU 12 CO -0.60 0.98 -0.39 -0.22 -1.00 0.00 0.00 179.01 177.79 2v8s h LYS 13 N 0.87 -0.47 -0.81 2.33 3.64 -0.43 -1.98 116.57 119.72 2v8s h LYS 13 Ca 0.15 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.60 2v8s h LYS 13 Cb 0.59 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.47 2v8s h LYS 13 CO 0.04 -0.31 0.53 -0.07 -2.27 0.00 0.00 179.45 177.37 2v8s h LEU 14 N -0.48 0.83 -0.52 5.20 3.38 -1.07 -2.84 115.31 119.82 2v8s h LEU 14 Ca 0.07 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 2v8s h LEU 14 Cb 0.61 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2v8s h LEU 14 CO -0.36 0.56 -0.13 -0.74 0.09 0.00 0.00 178.44 177.86 2v8s h HIS 15 N 0.96 1.12 0.15 1.13 2.76 0.53 -0.27 115.15 121.53 2v8s h HIS 15 Ca 0.33 -0.24 -0.28 0.00 -2.20 0.00 0.00 60.37 57.97 2v8s h HIS 15 Cb 0.10 -0.27 0.01 0.00 1.55 0.00 0.00 27.41 28.80 2v8s h HIS 15 CO -0.00 1.06 -1.28 1.05 -1.30 0.00 0.00 177.93 177.45 2v8s h GLU 16 N 0.86 0.31 -0.18 5.26 -0.00 -1.19 -1.73 114.58 117.91 2v8s h GLU 16 Ca 0.13 -0.53 0.04 0.00 -0.00 0.00 0.00 59.36 59.00 2v8s h GLU 16 Cb 0.70 0.20 -0.07 0.00 -0.00 0.00 0.00 28.75 29.58 2v8s h GLU 16 CO 0.05 1.25 -0.53 0.82 -0.00 0.00 0.00 179.01 180.60 2v8s h ILE 17 N 0.08 0.02 -0.65 -1.06 2.04 -1.53 -2.41 117.51 114.01 2v8s h ILE 17 Ca -0.15 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.84 2v8s h ILE 17 Cb 2.00 0.02 -0.11 0.00 -0.74 0.00 0.00 36.82 37.99 2v8s h ILE 17 CO 0.21 0.00 0.01 0.15 0.00 0.00 0.00 178.15 178.52 2v8s h PHE 18 N -0.54 -0.04 -0.36 1.37 3.57 -0.86 -0.86 116.94 119.22 2v8s h PHE 18 Ca 0.05 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 2v8s h PHE 18 Cb 0.66 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 2v8s h PHE 18 CO -0.60 -0.18 0.02 0.00 -2.23 0.00 0.00 178.31 175.33 2v8s h ARG 19 N 0.12 0.55 -0.40 1.11 3.08 -1.26 -0.42 114.38 117.16 2v8s h ARG 19 Ca 0.34 -0.11 0.05 0.00 0.07 0.00 0.00 59.98 60.33 2v8s h ARG 19 Cb 0.56 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.49 2v8s h ARG 19 CO -0.56 0.56 0.14 0.78 -1.07 0.00 0.00 179.97 179.82 2v8s h GLY 20 N 0.83 0.52 0.79 0.04 0.00 -0.67 0.25 103.07 104.83 2v8s h GLY 20 Ca 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 2v8s h GLY 20 CO 0.01 0.02 0.02 1.41 0.00 0.00 0.00 176.54 177.99 2v8s h LEU 21 N 0.30 0.13 -0.69 3.11 3.38 -0.97 -2.80 115.31 117.77 2v8s h LEU 21 Ca 0.19 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.96 2v8s h LEU 21 Cb 0.18 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 2v8s h LEU 21 CO -0.20 0.35 0.40 0.25 0.09 0.00 0.00 178.44 179.33 2v8s h LEU 22 N -0.09 0.61 -0.92 1.67 5.85 -0.84 -0.75 115.31 120.83 2v8s h LEU 22 Ca 0.03 0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.90 2v8s h LEU 22 Cb 0.27 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.11 2v8s h LEU 22 CO 0.00 0.40 0.54 -0.08 -0.34 0.00 0.00 178.44 178.96 2v8s h GLU 23 N 0.74 0.77 0.59 1.25 4.81 -0.45 0.12 114.58 122.41 2v8s h GLU 23 Ca 0.30 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.45 2v8s h GLU 23 Cb 0.15 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.36 2v8s h GLU 23 CO -0.16 0.51 -0.28 -0.44 -0.73 0.00 0.00 179.01 177.91 2v8s h ASP 24 N 0.80 -0.67 -0.68 1.04 3.32 -0.92 -2.78 116.42 116.53 2v8s h ASP 24 Ca 0.48 -0.03 0.15 0.00 0.02 0.00 0.00 57.03 57.65 2v8s h ASP 24 Cb 0.59 0.17 -0.12 0.00 0.22 0.00 0.00 39.33 40.20 2v8s h ASP 24 CO -0.31 -0.30 -0.01 -0.07 -1.72 0.00 0.00 179.24 176.82 2v8s h LEU 25 N -1.08 -0.33 -0.07 1.55 3.38 -1.13 -2.83 115.31 114.79 2v8s h LEU 25 Ca -0.08 0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.10 2v8s h LEU 25 Cb 0.66 0.31 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 2v8s h LEU 25 CO 0.13 -0.15 -0.22 1.56 0.09 0.00 0.00 178.44 179.85 2v8s h GLN 26 N 0.10 -0.30 0.00 1.13 4.20 -0.77 -1.63 115.11 117.85 2v8s h GLN 26 Ca 0.36 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.09 2v8s h GLN 26 Cb 0.61 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.45 2v8s h GLN 26 CO -0.60 -0.20 0.00 0.41 -0.67 0.00 0.00 178.83 177.77 2v8s n GLY 27 N -1.35 -0.51 0.07 3.46 0.00 -1.05 -4.14 105.19 101.67 2v8s n GLY 27 Ca -0.04 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 2v8s n GLY 27 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2v8s h VAL 28 N 0.00 1.52 -0.31 1.61 2.07 -1.13 -3.19 116.25 116.83 2v8s h VAL 28 Ca 0.00 -1.63 -0.06 0.00 0.82 0.00 0.00 66.70 65.83 2v8s h VAL 28 Cb 0.00 2.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 2v8s h VAL 28 CO 0.00 0.43 -0.08 -0.65 0.02 0.00 0.00 177.57 177.29 2v8s h PRO 29 N -0.59 0.50 0.00 1.57 0.11 -1.78 -0.28 132.00 131.54 2v8s h PRO 29 Ca -0.00 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.97 2v8s h PRO 29 Cb 0.74 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.79 2v8s h PRO 29 CO 0.01 0.59 0.00 1.49 -0.21 0.00 0.00 178.00 179.89 2v8s h GLU 30 N 0.47 0.00 0.00 1.05 4.81 -1.84 -1.55 114.58 117.53 2v8s h GLU 30 Ca 0.09 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.04 2v8s h GLU 30 Cb 0.43 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 2v8s h GLU 30 CO 0.02 0.00 -1.64 -0.09 -0.73 0.00 0.00 179.01 176.57 2v8s h ARG 31 N 0.00 0.00 0.00 1.92 2.43 -1.14 -3.31 114.38 114.28 2v8s h ARG 31 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2v8s h ARG 31 Cb 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2v8s h ARG 31 CO 0.00 0.54 0.00 1.28 -1.51 0.00 0.00 179.97 180.28 2v8s n LEU 32 N -3.08 0.00 -3.86 3.80 4.77 -0.26 -4.07 117.00 114.30 2v8s n LEU 32 Ca -0.15 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.64 2v8s n LEU 32 Cb 1.04 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.97 2v8s n LEU 32 CO 0.45 0.00 -0.39 -0.22 -1.33 0.00 0.00 177.39 175.90 2v8s s LEU 33 N -1.28 1.28 0.00 2.23 2.96 -1.11 -4.62 118.68 118.15 2v8s s LEU 33 Ca 0.08 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.91 2v8s s LEU 33 Cb 0.04 -0.33 0.00 0.00 0.50 0.00 0.00 46.19 46.39 2v8s s LEU 33 CO 0.06 -0.07 0.00 0.61 -1.32 0.00 0.00 176.35 175.63 2v8s n GLY 34 N 4.04 0.97 2.65 7.98 0.00 -1.26 -4.87 105.19 114.71 2v8s n GLY 34 Ca -0.26 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 2v8s n GLY 34 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2v8s n THR 35 N -1.73 2.07 -2.13 2.61 5.66 -1.26 -4.98 114.28 114.53 2v8s n THR 35 Ca 0.00 -5.23 -0.41 0.00 -3.05 0.00 0.00 64.05 55.36 2v8s n THR 35 Cb 0.34 -1.31 -0.03 0.00 -1.55 0.00 0.00 70.33 67.78 2v8s n THR 35 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2v8s s ALA 36 N -2.96 2.67 0.00 1.79 0.00 -1.26 -4.83 121.76 117.17 2v8s s ALA 36 Ca 0.45 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.17 2v8s s ALA 36 Cb 0.27 -4.11 0.00 0.00 0.00 0.00 0.00 23.12 19.28 2v8s s ALA 36 CO -0.10 -3.03 0.00 0.41 0.00 0.00 0.00 175.76 173.04 2v8s n GLY 37 N 5.43 0.94 0.00 0.00 0.00 -1.26 -4.89 105.19 105.41 2v8s n GLY 37 Ca 0.19 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.28 2v8s n GLY 37 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2v8s n THR 38 N 8.34 0.00 -0.01 2.61 -2.24 -1.26 -4.57 114.28 117.16 2v8s n THR 38 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 2v8s n THR 38 Cb 0.00 0.19 0.16 0.00 -2.10 0.00 0.00 70.33 68.58 2v8s n THR 38 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2v8s h GLU 39 N 0.00 0.55 0.01 -0.78 4.57 -2.00 -2.92 114.58 114.01 2v8s h GLU 39 Ca 0.00 -0.23 -0.03 0.00 -1.18 0.00 0.00 59.36 57.92 2v8s h GLU 39 Cb 0.00 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 2v8s h GLU 39 CO 0.00 0.78 -0.13 1.05 -1.18 0.00 0.00 179.01 179.53 2v8s h GLU 40 N 0.48 0.08 -0.93 1.92 9.09 -1.90 -2.41 114.58 120.90 2v8s h GLU 40 Ca 0.06 -0.09 0.22 0.00 0.05 0.00 0.00 59.36 59.60 2v8s h GLU 40 Cb 0.75 0.03 -0.12 0.00 -1.65 0.00 0.00 28.75 27.75 2v8s h GLU 40 CO 0.06 0.90 0.48 -0.22 0.05 0.00 0.00 179.01 180.27 2v8s h LYS 41 N -0.70 0.48 -0.43 1.06 3.64 -1.81 0.28 116.57 119.09 2v8s h LYS 41 Ca -0.02 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.19 2v8s h LYS 41 Cb 0.95 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 2v8s h LYS 41 CO 0.03 0.32 -0.28 -0.22 -2.27 0.00 0.00 179.45 177.02 2v8s h LYS 42 N 0.50 0.94 -0.57 1.90 3.64 -1.55 -0.13 116.57 121.30 2v8s h LYS 42 Ca 0.58 -0.43 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 2v8s h LYS 42 Cb 1.08 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 2v8s h LYS 42 CO -0.49 1.10 0.09 -0.22 -2.27 0.00 0.00 179.45 177.66 2v8s h LYS 43 N 0.80 0.95 0.71 1.90 3.64 -0.78 -1.56 116.57 122.23 2v8s h LYS 43 Ca 0.09 -0.25 -0.03 0.00 -1.27 0.00 0.00 60.65 59.18 2v8s h LYS 43 Cb 0.86 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.57 2v8s h LYS 43 CO 0.08 0.90 -0.34 1.25 -2.27 0.00 0.00 179.45 179.07 2v8s h LEU 44 N 0.84 -0.81 -1.76 5.20 5.85 -0.46 0.18 115.31 124.36 2v8s h LEU 44 Ca 0.17 0.01 0.16 0.00 0.84 0.00 0.00 57.88 59.06 2v8s h LEU 44 Cb 0.42 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 2v8s h LEU 44 CO 0.01 -0.45 0.47 0.58 -0.34 0.00 0.00 178.44 178.71 2v8s h VAL 45 N -1.21 0.76 0.00 1.05 2.07 -1.08 0.63 116.25 118.46 2v8s h VAL 45 Ca -0.10 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2v8s h VAL 45 Cb 0.75 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2v8s h VAL 45 CO 0.16 0.04 -0.93 -0.09 0.02 0.00 0.00 177.57 176.78 2v8s h ARG 46 N 0.23 0.00 -0.40 1.57 2.43 -1.16 -0.83 114.38 116.23 2v8s h ARG 46 Ca 0.33 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.35 2v8s h ARG 46 Cb 0.96 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 2v8s h ARG 46 CO -0.07 0.00 -0.32 -0.44 -1.51 0.00 0.00 179.97 177.63 2v8s h ASP 47 N 0.00 0.98 0.13 -3.80 3.32 0.08 -3.13 116.42 113.99 2v8s h ASP 47 Ca 0.00 -0.44 -0.01 0.00 0.02 0.00 0.00 57.03 56.60 2v8s h ASP 47 Cb 0.94 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.22 2v8s h ASP 47 CO 0.00 1.22 -0.06 0.15 -1.72 0.00 0.00 179.24 178.83 2v8s h PHE 48 N 0.75 -0.16 -0.86 4.55 3.57 -0.89 -1.27 116.94 122.63 2v8s h PHE 48 Ca 0.07 -0.00 0.34 0.00 3.53 0.00 0.00 57.97 61.91 2v8s h PHE 48 Cb 0.91 0.05 -0.16 0.00 2.79 0.00 0.00 35.95 39.54 2v8s h PHE 48 CO 0.06 -0.10 0.38 -0.25 -2.23 0.00 0.00 178.31 176.18 2v8s n ASP 49 N -2.61 0.23 0.14 0.41 9.92 -0.32 -0.82 116.55 123.50 2v8s n ASP 49 Ca -0.02 1.43 -0.10 0.00 -0.53 0.00 0.00 54.79 55.57 2v8s n ASP 49 Cb 0.07 -0.67 -0.06 0.00 -0.64 0.00 0.00 41.12 39.82 2v8s n ASP 49 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2v8s h GLU 50 N 0.00 -0.40 -0.68 -1.24 4.81 -1.51 -2.95 114.58 112.61 2v8s h GLU 50 Ca 0.69 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 60.03 2v8s h GLU 50 Cb 1.78 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 31.20 2v8s h GLU 50 CO -0.69 -0.10 0.45 -0.22 -0.73 0.00 0.00 179.01 177.73 2v8s h LYS 51 N -0.98 0.61 -0.24 1.92 3.64 -0.84 -1.58 116.57 119.09 2v8s h LYS 51 Ca -0.04 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.19 2v8s h LYS 51 Cb 0.49 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2v8s h LYS 51 CO 0.07 0.40 -0.32 0.37 -2.27 0.00 0.00 179.45 177.70 2v8s h GLN 52 N 0.63 0.51 0.01 1.90 4.15 -1.06 0.29 115.11 121.55 2v8s h GLN 52 Ca 0.30 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.51 2v8s h GLN 52 Cb 0.37 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.04 2v8s h GLN 52 CO -0.10 0.77 -0.02 0.37 -1.93 0.00 0.00 178.83 177.92 2v8s h GLN 53 N 0.44 -0.05 0.00 1.69 4.15 -1.16 -2.09 115.11 118.09 2v8s h GLN 53 Ca 0.05 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.42 2v8s h GLN 53 Cb 0.77 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.47 2v8s h GLN 53 CO 0.06 -0.03 -0.25 1.49 -1.93 0.00 0.00 178.83 178.17 2v8s h GLU 54 N -0.05 0.00 -0.00 1.69 4.81 -0.72 -1.66 114.58 118.66 2v8s h GLU 54 Ca 0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2v8s h GLU 54 Cb 0.06 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 2v8s h GLU 54 CO -0.02 0.25 -0.00 0.00 -0.73 0.00 0.00 179.01 178.52 2v8s h ALA 55 N 1.75 0.00 -0.77 2.92 0.00 -0.90 -2.59 119.26 119.66 2v8s h ALA 55 Ca -0.00 -0.26 0.18 0.00 0.00 0.00 0.00 54.91 54.83 2v8s h ALA 55 Cb 0.52 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.19 2v8s h ALA 55 CO 0.03 -0.24 0.14 -0.91 0.00 0.00 0.00 179.25 178.27 2v8s h ASN 56 N -0.51 -0.09 -0.73 0.00 2.35 -1.06 0.12 115.58 115.66 2v8s h ASN 56 Ca 0.00 0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 2v8s h ASN 56 Cb 0.52 0.25 -0.04 0.00 0.05 0.00 0.00 38.32 39.11 2v8s h ASN 56 CO 0.00 -0.11 0.38 -0.08 -1.65 0.00 0.00 177.43 175.97 2v8s h GLU 57 N 0.21 1.05 -0.03 0.81 4.81 -1.38 -2.12 114.58 117.93 2v8s h GLU 57 Ca 0.44 -0.13 -0.22 0.00 -0.13 0.00 0.00 59.36 59.32 2v8s h GLU 57 Cb 0.80 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.99 2v8s h GLU 57 CO -0.59 0.79 -0.90 1.15 -0.73 0.00 0.00 179.01 178.73 2v8s h THR 58 N 1.05 1.37 0.49 0.32 2.02 -0.53 -1.75 112.91 115.88 2v8s h THR 58 Ca 0.26 -2.33 -0.01 0.00 0.77 0.00 0.00 66.41 65.10 2v8s h THR 58 Cb 0.07 2.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 2v8s h THR 58 CO -0.04 0.70 -0.44 0.25 0.37 0.00 0.00 175.52 176.36 2v8s h LEU 59 N 0.28 -1.20 -0.77 2.58 5.85 -0.85 0.41 115.31 121.62 2v8s h LEU 59 Ca -0.07 0.09 0.18 0.00 0.84 0.00 0.00 57.88 58.92 2v8s h LEU 59 Cb 1.53 0.39 -0.12 0.00 0.37 0.00 0.00 40.66 42.83 2v8s h LEU 59 CO 0.16 -0.62 0.18 0.00 -0.34 0.00 0.00 178.44 177.83 2v8s h ALA 60 N -0.67 1.02 -0.36 1.25 0.00 -1.37 0.34 119.26 119.46 2v8s h ALA 60 Ca -0.05 0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2v8s h ALA 60 Cb 0.81 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2v8s h ALA 60 CO -0.04 -0.36 -0.15 0.93 0.00 0.00 0.00 179.25 179.63 2v8s h GLU 61 N 0.25 0.65 0.16 0.00 5.08 -1.01 -2.52 114.58 117.20 2v8s h GLU 61 Ca 0.45 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 2v8s h GLU 61 Cb 0.79 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 2v8s h GLU 61 CO -0.55 0.78 -0.09 0.52 -1.00 0.00 0.00 179.01 178.67 2v8s h MET 62 N 0.59 -0.22 -0.79 2.33 2.86 0.38 -1.90 114.93 118.18 2v8s h MET 62 Ca 0.10 0.02 0.16 0.00 -2.06 0.00 0.00 59.70 57.91 2v8s h MET 62 Cb 0.60 0.05 -0.10 0.00 0.06 0.00 0.00 31.60 32.21 2v8s h MET 62 CO 0.04 -0.15 0.33 0.93 1.06 0.00 0.00 176.91 179.12 2v8s h GLU 63 N -0.23 0.44 -0.32 1.72 5.08 -0.86 0.04 114.58 120.45 2v8s h GLU 63 Ca -0.02 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 2v8s h GLU 63 Cb 0.19 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2v8s h GLU 63 CO 0.03 0.29 -0.08 1.49 -1.00 0.00 0.00 179.01 179.74 2v8s h GLU 64 N 0.46 0.62 -0.92 2.33 4.57 -1.34 -2.32 114.58 117.98 2v8s h GLU 64 Ca 0.44 -0.24 0.04 0.00 -1.18 0.00 0.00 59.36 58.43 2v8s h GLU 64 Cb 0.70 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.20 2v8s h GLU 64 CO -0.42 0.80 0.60 0.93 -1.18 0.00 0.00 179.01 179.74 2v8s h GLU 65 N 0.39 1.09 -0.40 1.92 4.39 -0.56 -2.73 114.58 118.68 2v8s h GLU 65 Ca 0.08 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 2v8s h GLU 65 Cb 0.58 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2v8s h GLU 65 CO 0.03 0.72 0.08 -0.07 -1.16 0.00 0.00 179.01 178.62 2v8s h LEU 66 N 1.12 0.56 -1.93 1.33 3.38 -0.63 -2.31 115.31 116.83 2v8s h LEU 66 Ca 0.37 -0.09 0.17 0.00 0.09 0.00 0.00 57.88 58.43 2v8s h LEU 66 Cb 0.07 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2v8s h LEU 66 CO -0.12 0.57 0.55 0.03 0.09 0.00 0.00 178.44 179.56 2v8s h ARG 67 N 0.59 0.00 -0.00 1.13 3.08 -1.10 0.19 114.38 118.28 2v8s h ARG 67 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2v8s h ARG 67 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2v8s h ARG 67 CO -0.00 0.00 -0.22 0.66 -1.07 0.00 0.00 179.97 179.34 2v8s n TYR 68 N -3.88 0.00 -2.89 3.04 4.02 -0.87 -4.95 117.16 111.64 2v8s n TYR 68 Ca 0.12 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.72 2v8s n TYR 68 Cb 0.78 -0.30 -0.02 0.00 -0.02 0.00 0.00 39.34 39.78 2v8s n TYR 68 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2v8s s ALA 69 N -2.82 3.42 0.75 -0.72 0.00 0.68 -4.08 121.76 118.99 2v8s s ALA 69 Ca 0.18 -0.36 -0.15 0.00 0.00 0.00 0.00 51.96 51.64 2v8s s ALA 69 Cb 0.19 -2.59 0.05 0.00 0.00 0.00 0.00 23.12 20.76 2v8s s ALA 69 CO 0.57 -0.06 1.22 -1.25 0.00 0.00 0.00 175.76 176.24 2v8s s PRO 70 N -4.04 1.98 0.42 0.00 0.04 -1.26 -4.65 135.00 127.49 2v8s s PRO 70 Ca 0.49 1.81 0.14 0.00 0.04 0.00 0.00 61.00 63.47 2v8s s PRO 70 Cb -0.10 -1.81 1.00 0.00 0.04 0.00 0.00 34.50 33.63 2v8s s PRO 70 CO 0.35 -1.96 1.95 -0.07 0.04 0.00 0.00 177.00 177.30 2v8s h LEU 71 N -0.43 0.42 -0.77 -3.56 4.07 -1.96 0.21 115.31 113.30 2v8s h LEU 71 Ca -0.48 0.02 -0.08 0.00 0.08 0.00 0.00 57.88 57.42 2v8s h LEU 71 Cb 1.30 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.96 2v8s h LEU 71 CO 0.49 0.24 -0.40 0.71 -1.08 0.00 0.00 178.44 178.39 2v8s h THR 72 N 0.46 0.88 0.09 0.22 1.35 -2.00 0.16 112.91 114.07 2v8s h THR 72 Ca 0.33 -1.65 -0.32 0.00 -0.55 0.00 0.00 66.41 64.22 2v8s h THR 72 Cb 0.66 2.02 -0.02 0.00 -1.73 0.00 0.00 68.15 69.08 2v8s h THR 72 CO -0.10 0.39 -1.72 0.15 -0.25 0.00 0.00 175.52 173.99 2v8s h PHE 73 N 0.00 0.34 -0.44 4.73 3.57 -1.69 -3.40 116.94 120.05 2v8s h PHE 73 Ca -0.00 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 61.25 2v8s h PHE 73 Cb 0.99 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 2v8s h PHE 73 CO 0.00 1.68 0.29 -0.09 -2.23 0.00 0.00 178.31 177.96 2v8s h ARG 74 N -0.29 0.59 0.95 1.11 2.43 -0.43 -1.77 114.38 116.97 2v8s h ARG 74 Ca -0.39 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 58.69 2v8s h ARG 74 Cb 1.79 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 31.22 2v8s h ARG 74 CO -0.00 0.40 -0.46 -0.97 -1.51 0.00 0.00 179.97 177.43 2v8s h ASN 75 N 0.60 -1.08 -0.14 -3.80 -1.24 -1.21 -0.21 115.58 108.50 2v8s h ASN 75 Ca 0.16 0.04 -0.04 0.00 0.71 0.00 0.00 56.30 57.17 2v8s h ASN 75 Cb -0.06 0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.26 2v8s h ASN 75 CO -0.03 -0.76 -0.02 1.55 -1.29 0.00 0.00 177.43 176.88 2v8s h PRO 76 N -1.30 0.39 -0.04 6.67 0.13 -1.77 -2.80 132.00 133.27 2v8s h PRO 76 Ca -0.13 -0.07 -0.12 0.00 -0.87 0.00 0.00 66.00 64.80 2v8s h PRO 76 Cb 0.98 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 2v8s h PRO 76 CO 0.21 0.43 -0.54 1.98 -0.23 0.00 0.00 178.00 179.85 2v8s h MET 77 N 0.38 0.13 -0.77 0.86 4.05 -1.22 -2.76 114.93 115.58 2v8s h MET 77 Ca 0.08 -0.08 0.04 0.00 -0.28 0.00 0.00 59.70 59.46 2v8s h MET 77 Cb 0.28 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.04 2v8s h MET 77 CO 0.01 0.64 0.51 0.52 0.23 0.00 0.00 176.91 178.81 2v8s h MET 78 N 0.10 0.91 -0.18 0.39 2.86 -0.75 -2.29 114.93 115.96 2v8s h MET 78 Ca -0.00 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.45 2v8s h MET 78 Cb 0.99 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 2v8s h MET 78 CO 0.08 0.60 -0.45 0.66 1.06 0.00 0.00 176.91 178.86 2v8s h SER 79 N 0.94 0.48 -0.70 1.22 4.64 -1.48 -1.12 113.55 117.52 2v8s h SER 79 Ca 0.31 -0.22 0.10 0.00 -0.47 0.00 0.00 61.79 61.50 2v8s h SER 79 Cb 0.06 -0.14 -0.07 0.00 -0.31 0.00 0.00 62.40 61.94 2v8s h SER 79 CO -0.09 0.87 0.33 0.50 -0.87 0.00 0.00 176.83 177.57 2v8s h LYS 80 N 0.36 0.54 -0.01 4.77 3.64 -1.40 -0.96 116.57 123.51 2v8s h LYS 80 Ca 0.02 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2v8s h LYS 80 Cb 0.94 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2v8s h LYS 80 CO 0.08 0.36 -0.00 -0.07 -2.27 0.00 0.00 179.45 177.55 2v8s h LEU 81 N 0.56 0.02 -0.95 5.20 3.38 -1.19 -0.67 115.31 121.66 2v8s h LEU 81 Ca 0.35 -0.42 0.13 0.00 0.09 0.00 0.00 57.88 58.03 2v8s h LEU 81 Cb 0.40 -0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.00 2v8s h LEU 81 CO -0.29 0.43 -0.43 -1.14 0.09 0.00 0.00 178.44 177.10 2v8s n ARG 82 N -4.87 -0.29 0.22 1.13 0.63 -0.44 -1.60 116.66 111.43 2v8s n ARG 82 Ca -0.08 1.45 0.10 0.00 -0.92 0.00 0.00 57.85 58.40 2v8s n ARG 82 Cb 0.22 -2.15 0.42 0.00 0.45 0.00 0.00 32.46 31.41 2v8s n ARG 82 CO 0.00 0.00 0.00 -0.97 -2.51 0.00 0.00 177.63 174.15 2v8s h ASN 83 N 0.00 0.00 -0.55 6.15 -1.24 -0.95 -2.08 115.58 116.91 2v8s h ASN 83 Ca 0.27 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.28 2v8s h ASN 83 Cb 0.51 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.53 2v8s h ASN 83 CO -0.93 0.20 0.35 1.88 -1.29 0.00 0.00 177.43 177.65 2v8s h TYR 84 N 0.00 0.71 -0.18 0.67 0.05 -0.12 -0.19 116.97 117.91 2v8s h TYR 84 Ca -0.00 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 2v8s h TYR 84 Cb 0.80 -0.24 -0.00 0.00 1.01 0.00 0.00 36.73 38.30 2v8s h TYR 84 CO 0.00 0.46 -0.09 -0.09 -1.05 0.00 0.00 178.16 177.40 2v8s h ARG 85 N 0.76 0.37 -0.74 4.88 2.43 -0.67 -1.06 114.38 120.35 2v8s h ARG 85 Ca 0.20 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2v8s h ARG 85 Cb -0.06 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 2v8s h ARG 85 CO -0.04 0.68 0.38 0.87 -1.51 0.00 0.00 179.97 180.35 2v8s h LYS 86 N 0.05 1.04 -0.38 0.20 6.56 -1.35 -1.74 116.57 120.96 2v8s h LYS 86 Ca 0.04 -0.13 0.08 0.00 -1.06 0.00 0.00 60.65 59.57 2v8s h LYS 86 Cb 0.57 -0.20 -0.08 0.00 -0.57 0.00 0.00 32.23 31.95 2v8s h LYS 86 CO 0.03 0.79 -0.13 -0.44 -2.06 0.00 0.00 179.45 177.64 2v8s h ASP 87 N 1.02 -0.45 -0.03 0.86 5.19 -0.88 -2.95 116.42 119.18 2v8s h ASP 87 Ca 0.26 0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.79 2v8s h ASP 87 Cb 0.07 0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.85 2v8s h ASP 87 CO -0.04 -0.16 0.02 -0.07 -3.12 0.00 0.00 179.24 175.87 2v8s h LEU 88 N -0.05 0.04 -0.01 1.55 3.38 -0.77 -2.45 115.31 117.00 2v8s h LEU 88 Ca 0.19 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.14 2v8s h LEU 88 Cb 0.33 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2v8s h LEU 88 CO -0.41 0.06 -0.06 0.00 0.09 0.00 0.00 178.44 178.11 2v8s h ALA 89 N 0.98 -0.06 -0.56 1.53 0.00 -1.34 -0.80 119.26 119.01 2v8s h ALA 89 Ca 0.01 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.99 2v8s h ALA 89 Cb 0.03 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2v8s h ALA 89 CO -0.00 -0.55 0.37 -0.22 0.00 0.00 0.00 179.25 178.85 2v8s h LYS 90 N -0.11 0.52 -0.21 0.00 3.11 -1.58 -1.62 116.57 116.67 2v8s h LYS 90 Ca 0.03 -0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 57.80 2v8s h LYS 90 Cb 0.14 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.25 2v8s h LYS 90 CO -0.07 0.34 -0.01 -0.07 -2.81 0.00 0.00 179.45 176.83 2v8s h LEU 91 N 0.53 0.38 -1.73 5.20 3.38 -0.87 -2.53 115.31 119.67 2v8s h LEU 91 Ca 0.24 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2v8s h LEU 91 Cb 0.28 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2v8s h LEU 91 CO -0.07 0.60 -0.07 -0.74 0.09 0.00 0.00 178.44 178.25 2v8s h HIS 92 N 0.14 0.00 0.00 1.13 2.76 -0.73 -2.97 115.15 115.48 2v8s h HIS 92 Ca 0.06 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.17 2v8s h HIS 92 Cb 0.41 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.36 2v8s h HIS 92 CO 0.04 0.07 -1.06 -0.09 -1.30 0.00 0.00 177.93 175.59 2v8s h ARG 93 N 0.00 0.00 0.00 5.26 2.43 -1.21 -3.52 114.38 117.35 2v8s h ARG 93 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2v8s h ARG 93 Cb 0.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2v8s h ARG 93 CO 0.01 0.11 0.00 0.39 -1.51 0.00 0.00 179.97 178.97