#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2avy s ILE 6 N 0.00 2.20 -0.10 0.55 1.01 -1.24 -4.95 121.20 118.67 2avy s ILE 6 Ca 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.80 2avy s ILE 6 Cb 0.00 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 2avy s ILE 6 CO 0.00 0.02 -0.05 -0.13 0.00 0.00 0.00 174.94 174.78 2avy s ARG 7 N 0.28 3.04 0.00 2.79 0.52 -1.22 -2.66 118.95 121.71 2avy s ARG 7 Ca 0.67 -0.52 0.08 0.00 -0.52 0.00 0.00 55.73 55.44 2avy s ARG 7 Cb -0.47 -2.71 -0.02 0.00 0.52 0.00 0.00 34.95 32.27 2avy s ARG 7 CO 0.40 0.55 -0.24 0.42 0.02 0.00 0.00 175.30 176.45 2avy s ILE 8 N -0.49 1.93 -0.00 1.52 -1.09 -1.26 -3.67 121.20 118.13 2avy s ILE 8 Ca 0.08 -1.13 0.05 0.00 -2.23 0.00 0.00 60.65 57.42 2avy s ILE 8 Cb -0.12 -1.62 -0.01 0.00 -1.58 0.00 0.00 42.46 39.13 2avy s ILE 8 CO 0.02 0.46 -0.16 -0.13 -1.23 0.00 0.00 174.94 173.90 2avy s ARG 9 N -0.79 1.29 -0.19 2.79 0.52 -1.19 -3.76 118.95 117.63 2avy s ARG 9 Ca 0.10 -0.62 -0.01 0.00 -0.52 0.00 0.00 55.73 54.68 2avy s ARG 9 Cb -0.09 -1.26 0.05 0.00 0.52 0.00 0.00 34.95 34.17 2avy s ARG 9 CO 0.00 0.34 -0.01 -0.51 0.02 0.00 0.00 175.30 175.14 2avy s LEU 10 N -0.49 1.53 -0.35 2.53 1.02 0.54 -2.68 118.68 120.78 2avy s LEU 10 Ca 0.06 -0.80 0.03 0.00 0.02 0.00 0.00 54.13 53.44 2avy s LEU 10 Cb -0.07 -0.78 0.10 0.00 0.02 0.00 0.00 46.19 45.46 2avy s LEU 10 CO -0.00 -0.25 0.07 -1.59 0.02 0.00 0.00 176.35 174.60 2avy s LYS 11 N 1.71 1.37 0.30 1.70 0.00 -0.56 0.10 119.74 124.37 2avy s LYS 11 Ca -0.01 -1.78 0.03 0.00 0.00 0.00 0.00 55.97 54.21 2avy s LYS 11 Cb -0.17 -2.99 0.03 0.00 0.00 0.00 0.00 37.83 34.71 2avy s LYS 11 CO -0.07 -0.96 0.28 0.00 0.00 0.00 0.00 175.35 174.59 2avy n ALA 12 N 4.28 0.51 -0.22 0.59 0.00 0.24 -2.97 120.51 122.94 2avy n ALA 12 Ca 0.03 -1.17 0.12 0.00 0.00 0.00 0.00 53.44 52.42 2avy n ALA 12 Cb 0.41 0.44 0.30 0.00 0.00 0.00 0.00 19.45 20.60 2avy n ALA 12 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2avy n PHE 13 N -1.33 0.87 0.00 0.00 0.99 -1.26 -0.05 117.46 116.68 2avy n PHE 13 Ca 0.02 -0.44 0.00 0.00 -0.00 0.00 0.00 57.45 57.02 2avy n PHE 13 Cb 0.33 -0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.81 2avy n PHE 13 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 2avy n ASP 14 N 1.61 0.00 0.21 4.37 5.68 -1.26 -4.71 116.55 122.45 2avy n ASP 14 Ca 0.23 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.62 2avy n ASP 14 Cb 0.62 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.88 2avy n ASP 14 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 2avy h HIS 15 N 0.00 0.00 -0.17 2.11 -0.00 -1.95 -2.06 115.15 113.08 2avy h HIS 15 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.42 2avy h HIS 15 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 2avy h HIS 15 CO 0.00 0.21 0.47 0.00 -0.00 0.00 0.00 177.93 178.60 2avy h ARG 16 N 0.00 0.00 0.00 5.26 3.08 -2.00 -0.85 114.38 119.87 2avy h ARG 16 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2avy h ARG 16 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.02 2avy h ARG 16 CO 0.03 0.00 -0.74 1.28 -1.07 0.00 0.00 179.97 179.46 2avy n LEU 17 N -3.12 1.78 0.32 3.04 7.99 -1.21 -4.72 117.00 121.09 2avy n LEU 17 Ca 0.02 0.00 0.21 0.00 -0.01 0.00 0.00 56.01 56.23 2avy n LEU 17 Cb 0.56 0.00 1.11 0.00 -0.11 0.00 0.00 43.42 44.98 2avy n LEU 17 CO 0.17 0.27 1.17 -0.29 -1.51 0.00 0.00 177.39 177.20 2avy h ILE 18 N 0.00 0.13 0.00 -0.08 -0.00 -1.28 -1.18 117.51 115.10 2avy h ILE 18 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 2avy h ILE 18 Cb 0.74 0.96 0.00 0.00 -0.00 0.00 0.00 36.82 38.53 2avy h ILE 18 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 178.15 177.48 2avy n ASP 19 N -3.25 0.00 -0.30 2.19 4.64 -0.33 -2.44 116.55 117.05 2avy n ASP 19 Ca -0.03 0.52 0.10 0.00 -1.38 0.00 0.00 54.79 54.00 2avy n ASP 19 Cb 0.11 -0.28 0.26 0.00 -1.04 0.00 0.00 41.12 40.17 2avy n ASP 19 CO 0.00 0.00 0.00 1.56 -0.82 0.00 0.00 177.20 177.94 2avy h GLN 20 N 0.00 0.56 -0.46 -0.67 4.20 -1.76 0.18 115.11 117.16 2avy h GLN 20 Ca 0.00 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.75 2avy h GLN 20 Cb 0.00 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 2avy h GLN 20 CO 0.00 0.37 0.31 0.00 -0.67 0.00 0.00 178.83 178.84 2avy h ALA 21 N 1.61 2.02 0.03 3.87 0.00 -1.34 -0.85 119.26 124.60 2avy h ALA 21 Ca 0.50 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 55.18 2avy h ALA 21 Cb 0.80 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2avy h ALA 21 CO -0.41 -0.11 -1.17 0.00 0.00 0.00 0.00 179.25 177.56 2avy h THR 22 N 0.32 1.04 -0.65 0.00 1.03 -0.42 -3.35 112.91 110.88 2avy h THR 22 Ca 0.21 -2.25 0.17 0.00 -0.01 0.00 0.00 66.41 64.52 2avy h THR 22 Cb 0.40 2.49 -0.03 0.00 -1.07 0.00 0.00 68.15 69.95 2avy h THR 22 CO -0.05 0.47 0.46 0.00 -0.01 0.00 0.00 175.52 176.39 2avy h ALA 23 N -0.30 2.46 0.03 0.00 0.00 -0.83 -0.09 119.26 120.53 2avy h ALA 23 Ca -0.30 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.62 2avy h ALA 23 Cb 1.40 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 2avy h ALA 23 CO -0.11 -0.65 -0.16 1.49 0.00 0.00 0.00 179.25 179.82 2avy h GLU 24 N 0.11 -0.27 0.36 0.00 4.81 -1.28 -0.09 114.58 118.21 2avy h GLU 24 Ca 0.31 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 2avy h GLU 24 Cb 1.09 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 2avy h GLU 24 CO -0.03 -0.18 -0.37 0.82 -0.73 0.00 0.00 179.01 178.52 2avy h ILE 25 N -0.28 0.00 -1.09 2.32 2.04 -1.15 1.25 117.51 120.61 2avy h ILE 25 Ca 0.04 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.20 2avy h ILE 25 Cb 0.33 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.33 2avy h ILE 25 CO -0.13 0.00 0.74 0.58 0.00 0.00 0.00 178.15 179.34 2avy h VAL 26 N -0.73 0.48 0.00 1.67 2.07 -1.40 0.86 116.25 119.20 2avy h VAL 26 Ca -0.04 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2avy h VAL 26 Cb 0.64 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2avy h VAL 26 CO -0.05 0.04 -0.19 -0.08 0.02 0.00 0.00 177.57 177.30 2avy h GLU 27 N 0.20 0.00 0.02 1.57 4.81 -0.32 -3.30 114.58 117.57 2avy h GLU 27 Ca 0.57 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.80 2avy h GLU 27 Cb 1.83 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.21 2avy h GLU 27 CO -0.16 0.20 -0.01 1.79 -0.73 0.00 0.00 179.01 180.09 2avy h THR 28 N -1.00 0.00 0.00 0.32 1.35 0.20 -3.34 112.91 110.45 2avy h THR 28 Ca -0.02 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 2avy h THR 28 Cb 0.33 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.75 2avy h THR 28 CO -0.01 0.00 0.08 0.00 -0.25 0.00 0.00 175.52 175.33 2avy n ALA 29 N -2.43 0.89 -3.74 6.62 0.00 0.28 -3.94 120.51 118.19 2avy n ALA 29 Ca -0.00 0.07 -0.30 0.00 0.00 0.00 0.00 53.44 53.21 2avy n ALA 29 Cb 0.01 -0.98 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 2avy n ALA 29 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2avy s LYS 30 N -3.10 0.89 0.00 0.00 2.36 -0.19 -4.51 119.74 115.18 2avy s LYS 30 Ca -0.01 -1.35 0.00 0.00 -2.55 0.00 0.00 55.97 52.06 2avy s LYS 30 Cb 0.02 -2.13 0.00 0.00 -1.05 0.00 0.00 37.83 34.67 2avy s LYS 30 CO 0.07 -1.03 0.00 0.54 1.55 0.00 0.00 175.35 176.48 2avy n ARG 31 N 4.49 0.00 0.00 4.03 1.74 -1.25 -4.40 116.66 121.26 2avy n ARG 31 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2avy n ARG 31 Cb 0.40 -0.10 0.00 0.00 -1.02 0.00 0.00 32.46 31.74 2avy n ARG 31 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2avy n THR 32 N -2.17 0.00 0.19 0.55 -2.24 -1.26 -4.95 114.28 104.40 2avy n THR 32 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 2avy n THR 32 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 2avy n THR 32 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2avy h GLY 33 N 0.00 -0.54 -3.25 3.38 0.00 -1.95 -3.44 103.07 97.27 2avy h GLY 33 Ca 0.00 0.20 -0.53 0.00 0.00 0.00 0.00 47.33 47.00 2avy h GLY 33 CO 0.00 -0.20 0.61 0.00 0.00 0.00 0.00 176.54 176.96 2avy s ALA 34 N -4.02 3.17 -0.19 3.60 0.00 -1.26 -4.89 121.76 118.16 2avy s ALA 34 Ca -0.08 1.25 -0.20 0.00 0.00 0.00 0.00 51.96 52.93 2avy s ALA 34 Cb 0.01 -3.50 -0.17 0.00 0.00 0.00 0.00 23.12 19.45 2avy s ALA 34 CO 0.23 -0.94 0.23 0.37 0.00 0.00 0.00 175.76 175.65 2avy h GLN 35 N 2.38 0.00 -4.66 0.00 4.15 -1.79 -3.41 115.11 111.78 2avy h GLN 35 Ca -0.50 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.92 2avy h GLN 35 Cb 1.26 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.91 2avy h GLN 35 CO 0.61 0.83 -1.10 0.28 -1.93 0.00 0.00 178.83 177.52 2avy n VAL 36 N -4.49-12.82 0.22 2.39 0.31 -1.26 -4.77 118.33 97.90 2avy n VAL 36 Ca -0.25 2.93 0.11 0.00 -0.01 0.00 0.00 64.34 67.13 2avy n VAL 36 Cb 0.58 -6.10 0.38 0.00 -0.91 0.00 0.00 33.84 27.78 2avy n VAL 36 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2avy h ARG 37 N 4.01 0.00 0.00 5.55 2.43 -1.76 -3.45 114.38 121.16 2avy h ARG 37 Ca -0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2avy h ARG 37 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2avy h ARG 37 CO 0.00 0.15 0.00 0.41 -1.51 0.00 0.00 179.97 179.03 2avy n GLY 38 N 0.53 4.70 3.60 2.80 0.00 -1.26 -5.08 105.19 110.47 2avy n GLY 38 Ca 0.02 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 2avy n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2avy s PRO 39 N -4.08 3.78 0.09 1.61 0.04 -1.26 -3.39 135.00 131.78 2avy s PRO 39 Ca 0.00 0.49 0.04 0.00 0.04 0.00 0.00 61.00 61.57 2avy s PRO 39 Cb 0.00 -3.83 -0.04 0.00 0.04 0.00 0.00 34.50 30.67 2avy s PRO 39 CO 0.00 -1.02 0.05 0.96 0.04 0.00 0.00 177.00 177.03 2avy s ILE 40 N 3.56 4.29 -0.09 0.56 -4.36 -1.26 -4.85 121.20 119.06 2avy s ILE 40 Ca 0.38 -0.90 -0.22 0.00 -0.26 0.00 0.00 60.65 59.66 2avy s ILE 40 Cb -0.11 -3.07 -0.29 0.00 1.25 0.00 0.00 42.46 40.24 2avy s ILE 40 CO 0.21 0.10 0.76 1.55 0.24 0.00 0.00 174.94 177.79 2avy h PRO 41 N 3.28 0.22 -2.23 0.37 0.13 -1.97 -2.49 132.00 129.30 2avy h PRO 41 Ca -0.47 -0.37 0.04 0.00 -0.87 0.00 0.00 66.00 64.32 2avy h PRO 41 Cb 1.17 0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 2avy h PRO 41 CO 0.63 1.18 -0.62 1.28 -0.23 0.00 0.00 178.00 180.24 2avy n LEU 42 N -4.18 -0.95 -4.77 1.56 4.77 -1.26 -4.01 117.00 108.16 2avy n LEU 42 Ca -0.17 1.68 -0.41 0.00 -0.03 0.00 0.00 56.01 57.08 2avy n LEU 42 Cb 0.77 -1.56 -0.01 0.00 -2.33 0.00 0.00 43.42 40.29 2avy n LEU 42 CO 0.43 -0.64 1.07 -2.16 -1.33 0.00 0.00 177.39 174.77 2avy s PRO 43 N -4.67 4.22 0.17 3.23 0.04 -1.26 -4.80 135.00 131.92 2avy s PRO 43 Ca 0.00 2.40 -0.24 0.00 0.04 0.00 0.00 61.00 63.21 2avy s PRO 43 Cb 0.00 -3.02 -0.08 0.00 0.04 0.00 0.00 34.50 31.44 2avy s PRO 43 CO 0.00 -0.39 0.75 0.99 0.04 0.00 0.00 177.00 178.39 2avy s THR 44 N -0.98 4.44 -0.69 1.26 2.01 -1.26 -4.82 115.64 115.61 2avy s THR 44 Ca 0.52 1.58 -0.20 0.00 0.31 0.00 0.00 61.69 63.90 2avy s THR 44 Cb -0.43 -4.06 0.10 0.00 0.01 0.00 0.00 72.50 68.12 2avy s THR 44 CO 0.57 0.47 0.88 -0.13 -0.69 0.00 0.00 174.62 175.71 2avy s ARG 45 N -1.31 3.19 -0.22 4.92 1.81 -1.23 -4.98 118.95 121.13 2avy s ARG 45 Ca 0.36 -1.25 -0.22 0.00 -1.72 0.00 0.00 55.73 52.90 2avy s ARG 45 Cb -0.21 -4.37 -0.02 0.00 -0.45 0.00 0.00 34.95 29.90 2avy s ARG 45 CO 0.24 -1.68 0.72 0.15 -0.68 0.00 0.00 175.30 174.05 2avy s LYS 46 N 3.12 4.19 -0.35 3.54 3.01 -1.26 -3.12 119.74 128.87 2avy s LYS 46 Ca 0.19 0.75 0.01 0.00 -1.01 0.00 0.00 55.97 55.91 2avy s LYS 46 Cb -0.18 -3.62 0.11 0.00 -1.01 0.00 0.00 37.83 33.14 2avy s LYS 46 CO 0.04 -0.38 0.12 -1.21 0.51 0.00 0.00 175.35 174.43 2avy s GLU 47 N 2.37 1.08 0.41 1.68 8.01 -1.25 -5.04 118.70 125.96 2avy s GLU 47 Ca 0.31 -1.52 0.05 0.00 0.01 0.00 0.00 54.97 53.81 2avy s GLU 47 Cb -0.16 -2.44 0.00 0.00 -4.31 0.00 0.00 34.13 27.22 2avy s GLU 47 CO 0.09 -1.01 0.58 -0.98 0.01 0.00 0.00 175.26 173.95 2avy s ARG 48 N 1.12 2.96 -0.03 1.61 3.03 -1.26 -1.92 118.95 124.46 2avy s ARG 48 Ca 0.12 -0.91 -0.09 0.00 2.03 0.00 0.00 55.73 56.88 2avy s ARG 48 Cb -0.19 -2.70 0.01 0.00 -1.03 0.00 0.00 34.95 31.04 2avy s ARG 48 CO -0.15 -0.20 0.19 -0.06 -1.13 0.00 0.00 175.30 173.95 2avy s PHE 49 N -2.38 -0.08 -0.20 5.89 0.40 0.61 -4.91 117.98 117.31 2avy s PHE 49 Ca 0.50 0.15 -0.03 0.00 -0.60 0.00 0.00 56.93 56.95 2avy s PHE 49 Cb -0.10 0.02 -0.01 0.00 0.51 0.00 0.00 43.02 43.44 2avy s PHE 49 CO 0.34 -0.25 -0.08 0.95 0.70 0.00 0.00 175.22 176.89 2avy s THR 50 N -0.90 3.16 -0.05 0.64 -4.23 -1.26 0.49 115.64 113.49 2avy s THR 50 Ca -0.10 -0.57 0.05 0.00 -1.18 0.00 0.00 61.69 59.89 2avy s THR 50 Cb -0.05 -2.41 -0.01 0.00 1.34 0.00 0.00 72.50 71.37 2avy s THR 50 CO 0.02 0.46 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.66 2avy s VAL 51 N 1.27 1.68 -0.14 2.29 1.01 0.14 -4.88 120.40 121.77 2avy s VAL 51 Ca 0.03 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 60.86 2avy s VAL 51 Cb -0.14 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 2avy s VAL 51 CO -0.03 0.48 1.77 -0.76 0.00 0.00 0.00 175.10 176.55 2avy s LEU 52 N -0.09 4.03 0.01 3.92 1.02 -1.26 0.14 118.68 126.44 2avy s LEU 52 Ca -0.02 1.99 -0.04 0.00 0.02 0.00 0.00 54.13 56.07 2avy s LEU 52 Cb -0.12 -3.53 -0.02 0.00 0.02 0.00 0.00 46.19 42.54 2avy s LEU 52 CO 0.02 -1.24 0.99 0.40 0.02 0.00 0.00 176.35 176.54 2avy h ILE 53 N 6.06 0.00 -3.94 -0.59 2.04 -1.87 -3.45 117.51 115.76 2avy h ILE 53 Ca -0.39 -0.01 -0.55 0.00 1.00 0.00 0.00 64.86 64.92 2avy h ILE 53 Cb 1.19 0.00 0.12 0.00 -0.74 0.00 0.00 36.82 37.39 2avy h ILE 53 CO 0.97 0.00 0.72 -0.24 0.00 0.00 0.00 178.15 179.60 2avy n SER 54 N -2.42 3.45 -4.57 1.72 2.88 -1.26 -4.93 113.62 108.49 2avy n SER 54 Ca -0.02 1.15 -0.42 0.00 -1.33 0.00 0.00 58.87 58.25 2avy n SER 54 Cb 0.06 -1.61 -0.03 0.00 -0.75 0.00 0.00 64.21 61.88 2avy n SER 54 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2avy s PRO 55 N -2.34 3.42 0.22 -1.46 0.04 -1.26 -4.70 135.00 128.92 2avy s PRO 55 Ca 0.59 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.72 2avy s PRO 55 Cb -0.46 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.02 2avy s PRO 55 CO 0.59 -1.80 0.00 1.58 0.04 0.00 0.00 177.00 177.41 2avy n HIS 56 N 8.66 -2.63 -0.59 0.56 -0.00 -1.26 -5.02 115.22 114.93 2avy n HIS 56 Ca 0.07 1.37 0.08 0.00 -0.00 0.00 0.00 57.72 59.24 2avy n HIS 56 Cb 0.49 -2.67 -0.02 0.00 -0.00 0.00 0.00 29.99 27.79 2avy n HIS 56 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 2avy n VAL 57 N -0.08 0.00 -3.26 3.57 3.14 -1.26 -5.00 118.33 115.43 2avy n VAL 57 Ca 0.00 0.04 -0.15 0.00 -2.96 0.00 0.00 64.34 61.28 2avy n VAL 57 Cb 0.00 -0.25 0.06 0.00 -1.06 0.00 0.00 33.84 32.59 2avy n VAL 57 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2avy n ASN 58 N -2.53 -6.67 -0.30 6.55 3.02 -1.26 -4.78 115.26 109.28 2avy n ASN 58 Ca -0.00 -0.67 0.17 0.00 -0.03 0.00 0.00 54.58 54.06 2avy n ASN 58 Cb 0.27 -5.08 0.44 0.00 -0.61 0.00 0.00 39.78 34.80 2avy n ASN 58 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2avy h LYS 59 N -0.98 0.53 -0.04 3.52 2.10 -1.97 -0.49 116.57 119.24 2avy h LYS 59 Ca -0.55 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.07 2avy h LYS 59 Cb 1.28 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2avy h LYS 59 CO 0.43 0.35 0.00 -0.25 -2.00 0.00 0.00 179.45 177.98 2avy n ASP 60 N -4.62 0.04 0.00 7.07 9.92 -1.26 -4.22 116.55 123.48 2avy n ASP 60 Ca 0.22 -0.53 0.00 0.00 -0.53 0.00 0.00 54.79 53.95 2avy n ASP 60 Cb 0.68 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 41.14 2avy n ASP 60 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2avy n ALA 61 N -0.37 0.00 -1.51 2.24 0.00 -0.19 -5.08 120.51 115.59 2avy n ALA 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2avy n ALA 61 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 2avy n ALA 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2avy n ARG 62 N 0.00 -4.08 -3.84 0.00 1.74 -1.25 -4.80 116.66 104.42 2avy n ARG 62 Ca 0.00 3.13 -0.12 0.00 -0.77 0.00 0.00 57.85 60.09 2avy n ARG 62 Cb 0.00 -3.80 -0.13 0.00 -1.02 0.00 0.00 32.46 27.51 2avy n ARG 62 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2avy s ASP 63 N -4.76 -0.09 -0.20 0.55 -1.08 0.36 -4.55 116.67 106.90 2avy s ASP 63 Ca 0.00 0.18 -0.05 0.00 -0.52 0.00 0.00 52.55 52.16 2avy s ASP 63 Cb 0.00 0.18 -0.03 0.00 -1.46 0.00 0.00 42.92 41.61 2avy s ASP 63 CO 0.00 -0.03 0.01 -1.10 0.52 0.00 0.00 175.17 174.57 2avy s GLN 64 N 0.08 3.68 0.50 4.34 -0.21 -1.26 0.24 119.66 127.03 2avy s GLN 64 Ca -0.00 -0.49 0.03 0.00 0.02 0.00 0.00 55.36 54.92 2avy s GLN 64 Cb -0.01 -3.10 -0.01 0.00 1.00 0.00 0.00 33.01 30.89 2avy s GLN 64 CO -0.00 0.07 0.13 0.71 -2.12 0.00 0.00 175.29 174.07 2avy s TYR 65 N 0.87 1.93 -0.21 0.91 4.12 0.18 -4.93 117.35 120.22 2avy s TYR 65 Ca 0.01 -0.86 -0.29 0.00 0.02 0.00 0.00 57.07 55.95 2avy s TYR 65 Cb -0.14 -1.74 0.15 0.00 -1.52 0.00 0.00 41.96 38.70 2avy s TYR 65 CO 0.02 0.06 1.12 -1.83 0.02 0.00 0.00 175.55 174.94 2avy s GLU 66 N -3.97 0.41 -0.34 -0.62 -1.05 -1.26 -0.29 118.70 111.58 2avy s GLU 66 Ca 0.19 0.15 0.01 0.00 -0.15 0.00 0.00 54.97 55.17 2avy s GLU 66 Cb 0.01 0.19 0.11 0.00 -0.44 0.00 0.00 34.13 34.00 2avy s GLU 66 CO 0.11 -0.12 0.11 0.42 0.95 0.00 0.00 175.26 176.73 2avy s ILE 67 N -0.89 1.29 -0.09 1.83 1.01 -0.81 -4.97 121.20 118.58 2avy s ILE 67 Ca 0.02 -1.81 -0.30 0.00 0.00 0.00 0.00 60.65 58.57 2avy s ILE 67 Cb -0.01 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 2avy s ILE 67 CO -0.03 -0.69 1.41 -0.13 0.00 0.00 0.00 174.94 175.50 2avy s ARG 68 N 1.24 4.24 -0.77 2.79 3.00 -1.26 -3.92 118.95 124.28 2avy s ARG 68 Ca 0.11 1.89 -0.14 0.00 0.00 0.00 0.00 55.73 57.60 2avy s ARG 68 Cb -0.19 -3.78 0.20 0.00 0.00 0.00 0.00 34.95 31.19 2avy s ARG 68 CO -0.17 -0.70 0.70 0.99 0.00 0.00 0.00 175.30 176.12 2avy s THR 69 N 3.33 5.44 0.16 0.02 2.01 -1.18 -4.47 115.64 120.95 2avy s THR 69 Ca 0.62 -2.33 -0.30 0.00 0.31 0.00 0.00 61.69 59.99 2avy s THR 69 Cb -0.28 -4.39 -0.08 0.00 0.01 0.00 0.00 72.50 67.77 2avy s THR 69 CO 0.22 -0.99 1.19 -1.00 -0.69 0.00 0.00 174.62 173.35 2avy s HIS 70 N 0.40 3.45 0.24 4.92 3.76 0.93 -3.48 115.29 125.51 2avy s HIS 70 Ca 0.15 1.42 0.05 0.00 -0.15 0.00 0.00 55.06 56.54 2avy s HIS 70 Cb -0.14 -3.41 -0.05 0.00 1.11 0.00 0.00 32.58 30.09 2avy s HIS 70 CO -0.07 -1.15 -0.05 -0.48 -0.85 0.00 0.00 174.74 172.14 2avy s LEU 71 N 0.00 2.39 -0.07 0.89 0.05 -1.26 0.83 118.68 121.52 2avy s LEU 71 Ca 0.54 -1.17 -0.19 0.00 0.05 0.00 0.00 54.13 53.36 2avy s LEU 71 Cb -0.32 -0.49 0.04 0.00 -2.05 0.00 0.00 46.19 43.37 2avy s LEU 71 CO 0.35 -0.38 0.44 -0.13 -0.55 0.00 0.00 176.35 176.07 2avy s ARG 72 N -3.77 0.72 0.00 1.48 1.81 0.28 -4.56 118.95 114.91 2avy s ARG 72 Ca 0.27 0.16 0.00 0.00 -1.72 0.00 0.00 55.73 54.44 2avy s ARG 72 Cb 0.04 0.33 0.00 0.00 -0.45 0.00 0.00 34.95 34.87 2avy s ARG 72 CO 0.09 -0.18 0.00 -0.11 -0.68 0.00 0.00 175.30 174.42 2avy n LEU 73 N 1.66 0.00 0.00 2.53 -0.00 -0.94 -0.34 117.00 119.91 2avy n LEU 73 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.82 2avy n LEU 73 Cb 0.56 -0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 2avy n LEU 73 CO 0.19 -0.06 0.00 0.52 -0.00 0.00 0.00 177.39 178.04 2avy n VAL 74 N -1.46 0.00 -1.83 1.96 0.31 -1.22 -4.29 118.33 111.80 2avy n VAL 74 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2avy n VAL 74 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2avy n VAL 74 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2avy n ASP 75 N 3.72 -9.44 -4.73 4.52 -0.08 -1.25 -4.12 116.55 105.18 2avy n ASP 75 Ca 0.00 1.37 -0.40 0.00 -1.51 0.00 0.00 54.79 54.25 2avy n ASP 75 Cb 0.00 -5.31 -0.05 0.00 2.34 0.00 0.00 41.12 38.10 2avy n ASP 75 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2avy s ILE 76 N -2.92 4.86 -0.70 5.18 -4.36 -1.09 -3.43 121.20 118.75 2avy s ILE 76 Ca 0.00 1.61 -0.00 0.00 -0.26 0.00 0.00 60.65 62.00 2avy s ILE 76 Cb 0.00 -4.11 0.40 0.00 1.25 0.00 0.00 42.46 40.00 2avy s ILE 76 CO 0.00 0.30 1.84 1.33 0.24 0.00 0.00 174.94 178.65 2avy n VAL 77 N 3.29 3.36 -3.14 8.37 0.24 -1.26 -3.59 118.33 125.60 2avy n VAL 77 Ca -0.01 -3.97 0.04 0.00 -2.04 0.00 0.00 64.34 58.36 2avy n VAL 77 Cb 0.51 -1.21 -0.00 0.00 -1.47 0.00 0.00 33.84 31.66 2avy n VAL 77 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2avy s GLU 78 N -3.90 0.47 -1.27 7.34 2.56 -1.26 -4.44 118.70 118.20 2avy s GLU 78 Ca 0.55 0.36 -0.19 0.00 0.00 0.00 0.00 54.97 55.69 2avy s GLU 78 Cb 0.45 0.18 0.05 0.00 2.00 0.00 0.00 34.13 36.82 2avy s GLU 78 CO -0.23 -0.84 1.74 -1.25 -0.56 0.00 0.00 175.26 174.12 2avy s PRO 79 N 2.75 3.81 0.00 4.30 0.04 -1.26 -4.52 135.00 140.12 2avy s PRO 79 Ca 0.15 -1.86 0.00 0.00 0.04 0.00 0.00 61.00 59.33 2avy s PRO 79 Cb -0.07 -5.50 0.00 0.00 0.04 0.00 0.00 34.50 28.97 2avy s PRO 79 CO -0.23 -2.44 0.00 2.41 0.04 0.00 0.00 177.00 176.78 2avy n THR 80 N 6.58 0.00 0.00 1.26 -1.04 -1.26 -5.08 114.28 114.73 2avy n THR 80 Ca 0.48 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.49 2avy n THR 80 Cb 0.46 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 2avy n THR 80 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2avy n GLU 81 N 0.00 0.00 0.05 -2.82 0.00 -1.26 -4.71 120.64 111.89 2avy n GLU 81 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.09 2avy n GLU 81 Cb 0.00 -0.23 0.08 0.00 0.00 0.00 0.00 31.44 31.29 2avy n GLU 81 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2avy h LYS 82 N 0.00 0.39 0.00 3.44 3.64 -1.99 -3.06 116.57 119.00 2avy h LYS 82 Ca 0.00 -0.26 -0.18 0.00 -1.27 0.00 0.00 60.65 58.93 2avy h LYS 82 Cb 0.00 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 2avy h LYS 82 CO 0.00 0.87 -2.07 0.25 -2.27 0.00 0.00 179.45 176.23 2avy n THR 83 N -3.91 0.69 1.80 1.00 -2.24 -1.26 -4.24 114.28 106.11 2avy n THR 83 Ca -0.03 -0.62 0.08 0.00 -2.27 0.00 0.00 64.05 61.21 2avy n THR 83 Cb 0.62 -0.27 0.40 0.00 -2.10 0.00 0.00 70.33 68.98 2avy n THR 83 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2avy n VAL 84 N -2.44 0.06 -1.89 2.28 0.24 -1.25 -3.13 118.33 112.20 2avy n VAL 84 Ca -0.18 -0.09 0.01 0.00 -2.04 0.00 0.00 64.34 62.05 2avy n VAL 84 Cb 0.83 -0.09 0.14 0.00 -1.47 0.00 0.00 33.84 33.25 2avy n VAL 84 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2avy n ASP 85 N -0.46 1.98 -0.09 -1.34 8.00 -1.15 -4.60 116.55 118.88 2avy n ASP 85 Ca 0.12 -3.41 0.01 0.00 0.71 0.00 0.00 54.79 52.22 2avy n ASP 85 Cb 0.11 -0.46 0.02 0.00 -0.02 0.00 0.00 41.12 40.78 2avy n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2avy n ALA 86 N -0.71 1.68 -0.07 2.24 0.00 -1.18 -4.75 120.51 117.72 2avy n ALA 86 Ca 0.19 -1.06 -0.19 0.00 0.00 0.00 0.00 53.44 52.38 2avy n ALA 86 Cb 0.83 -0.13 -0.13 0.00 0.00 0.00 0.00 19.45 20.01 2avy n ALA 86 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2avy n LEU 87 N -0.38 2.62 0.28 0.00 -0.00 -1.26 -4.04 117.00 114.22 2avy n LEU 87 Ca 0.02 0.04 0.18 0.00 -0.00 0.00 0.00 56.01 56.25 2avy n LEU 87 Cb 0.47 -0.90 0.90 0.00 -0.00 0.00 0.00 43.42 43.89 2avy n LEU 87 CO 0.00 0.86 1.15 0.24 -0.00 0.00 0.00 177.39 179.65 2avy h MET 88 N 0.03 0.00 -0.95 1.96 0.00 -1.90 0.41 114.93 114.49 2avy h MET 88 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.20 2avy h MET 88 Cb 1.98 0.00 0.00 0.00 0.00 0.00 0.00 31.60 33.58 2avy h MET 88 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 176.91 174.78 2avy n ARG 89 N -3.27 0.69 -3.40 1.72 3.00 -1.26 -4.40 116.66 109.75 2avy n ARG 89 Ca -0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.71 2avy n ARG 89 Cb 0.32 -1.27 -0.10 0.00 0.00 0.00 0.00 32.46 31.42 2avy n ARG 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2avy s LEU 90 N 0.00 -0.39 0.00 6.15 1.43 0.13 -5.00 118.68 121.01 2avy s LEU 90 Ca 0.00 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 2avy s LEU 90 Cb 0.00 0.73 0.06 0.00 0.03 0.00 0.00 46.19 47.01 2avy s LEU 90 CO 0.00 -0.34 1.00 -0.90 0.23 0.00 0.00 176.35 176.34 2avy n ASP 91 N 5.33 0.13 0.00 2.29 3.85 -1.26 -5.05 116.55 121.84 2avy n ASP 91 Ca -0.03 -1.96 0.00 0.00 -0.71 0.00 0.00 54.79 52.09 2avy n ASP 91 Cb 0.49 -0.20 0.00 0.00 -1.35 0.00 0.00 41.12 40.05 2avy n ASP 91 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 2avy n LEU 92 N 0.07 0.00 -2.41 -2.12 7.99 -1.26 -4.97 117.00 114.29 2avy n LEU 92 Ca 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 55.99 2avy n LEU 92 Cb 0.75 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 44.05 2avy n LEU 92 CO -0.01 0.00 -0.52 0.00 -1.51 0.00 0.00 177.39 175.35 2avy n ALA 93 N -3.00 -2.34 1.10 -1.18 0.00 -1.26 -4.74 120.51 109.10 2avy n ALA 93 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 53.44 54.35 2avy n ALA 93 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.26 2avy n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2avy n ALA 94 N 1.84 2.13 0.00 0.00 0.00 -1.26 -4.23 120.51 118.99 2avy n ALA 94 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2avy n ALA 94 Cb 0.14 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2avy n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2avy n GLY 95 N 0.18 -1.97 2.62 0.00 0.00 -1.26 -5.11 105.19 99.65 2avy n GLY 95 Ca 0.00 0.93 -0.15 0.00 0.00 0.00 0.00 46.02 46.79 2avy n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2avy s VAL 96 N 0.00 -0.36 -0.18 1.61 1.01 -1.26 -4.50 120.40 116.72 2avy s VAL 96 Ca 0.00 -1.67 -0.39 0.00 0.00 0.00 0.00 61.98 59.92 2avy s VAL 96 Cb 0.00 -0.61 -0.16 0.00 0.00 0.00 0.00 36.38 35.61 2avy s VAL 96 CO 0.00 -0.60 1.65 -0.67 0.00 0.00 0.00 175.10 175.48 2avy n ASP 97 N 3.10 2.23 -3.80 3.32 4.64 -1.16 -4.77 116.55 120.12 2avy n ASP 97 Ca 0.22 1.08 -0.29 0.00 -1.38 0.00 0.00 54.79 54.43 2avy n ASP 97 Cb 0.51 -1.16 -0.12 0.00 -1.04 0.00 0.00 41.12 39.31 2avy n ASP 97 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 2avy s VAL 98 N 2.80 2.18 -0.83 5.18 -7.23 -1.26 -1.49 120.40 119.75 2avy s VAL 98 Ca 0.95 -3.54 -0.25 0.00 -1.81 0.00 0.00 61.98 57.33 2avy s VAL 98 Cb -1.03 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 33.45 2avy s VAL 98 CO 0.61 -0.98 1.56 -1.58 -0.31 0.00 0.00 175.10 174.40 2avy s GLN 99 N -0.67 3.10 -1.28 4.82 0.74 -1.09 -4.89 119.66 120.39 2avy s GLN 99 Ca 0.23 -0.36 -0.06 0.00 0.05 0.00 0.00 55.36 55.22 2avy s GLN 99 Cb -0.11 -4.74 0.08 0.00 1.10 0.00 0.00 33.01 29.34 2avy s GLN 99 CO -0.11 -2.49 2.52 0.44 -0.55 0.00 0.00 175.29 175.10 2avy n ILE 100 N 6.96 4.94 -2.95 -2.34 -5.35 -1.26 -3.16 119.36 116.19 2avy n ILE 100 Ca 0.22 -3.93 -0.25 0.00 -0.27 0.00 0.00 62.75 58.52 2avy n ILE 100 Cb 0.50 -2.11 0.00 0.00 -1.74 0.00 0.00 39.64 36.29 2avy n ILE 100 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2avy s SER 101 N 0.65 6.05 0.00 7.28 0.15 -1.24 -4.95 113.70 121.65 2avy s SER 101 Ca 0.57 0.54 0.06 0.00 0.70 0.00 0.00 55.95 57.82 2avy s SER 101 Cb 0.20 -1.88 0.05 0.00 -1.71 0.00 0.00 66.02 62.68 2avy s SER 101 CO -0.10 -0.59 0.69 0.18 1.20 0.00 0.00 173.24 174.62