#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qp0 s ILE 6 N 0.00 -0.22 0.36 8.89 1.01 -0.51 -4.76 121.20 125.96 2qp0 s ILE 6 Ca 0.00 -0.91 -0.28 0.00 0.00 0.00 0.00 60.65 59.46 2qp0 s ILE 6 Cb 0.00 -0.92 -0.11 0.00 0.01 0.00 0.00 42.46 41.44 2qp0 s ILE 6 CO 0.00 -0.65 1.46 0.54 0.00 0.00 0.00 174.94 176.29 2qp0 n ARG 7 N 4.76 2.54 -3.13 2.79 1.74 0.14 -2.01 116.66 123.48 2qp0 n ARG 7 Ca 0.04 0.89 -0.21 0.00 -0.77 0.00 0.00 57.85 57.80 2qp0 n ARG 7 Cb 0.43 -2.60 -0.05 0.00 -1.02 0.00 0.00 32.46 29.23 2qp0 n ARG 7 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2qp0 n ILE 8 N 0.66 -0.66 -2.26 0.55 5.41 -1.11 -1.54 119.36 120.41 2qp0 n ILE 8 Ca 0.03 -3.25 -0.42 0.00 1.00 0.00 0.00 62.75 60.11 2qp0 n ILE 8 Cb 0.38 -1.11 -0.03 0.00 -0.71 0.00 0.00 39.64 38.17 2qp0 n ILE 8 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2qp0 s ARG 9 N -0.43 4.30 -0.23 0.38 1.81 -1.23 -4.20 118.95 119.35 2qp0 s ARG 9 Ca 0.34 1.92 -0.06 0.00 -1.72 0.00 0.00 55.73 56.21 2qp0 s ARG 9 Cb 0.14 -3.55 -0.02 0.00 -0.45 0.00 0.00 34.95 31.06 2qp0 s ARG 9 CO -0.15 -0.54 0.02 -0.51 -0.68 0.00 0.00 175.30 173.44 2qp0 s LEU 10 N 2.29 3.25 -0.19 2.53 1.43 0.54 -2.14 118.68 126.39 2qp0 s LEU 10 Ca 0.62 -0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.46 2qp0 s LEU 10 Cb -0.30 -1.85 -0.00 0.00 0.03 0.00 0.00 46.19 44.07 2qp0 s LEU 10 CO 0.26 0.00 -0.10 -0.54 0.23 0.00 0.00 176.35 176.20 2qp0 s LYS 11 N 1.37 3.29 0.00 1.70 1.02 -1.12 -1.66 119.74 124.34 2qp0 s LYS 11 Ca 0.05 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.35 2qp0 s LYS 11 Cb -0.15 -2.82 0.00 0.00 -0.52 0.00 0.00 37.83 34.35 2qp0 s LYS 11 CO 0.01 -0.10 0.00 0.00 -0.92 0.00 0.00 175.35 174.34 2qp0 n ALA 12 N 4.45 0.00 -1.79 5.17 0.00 -1.22 -1.41 120.51 125.72 2qp0 n ALA 12 Ca -0.19 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.28 2qp0 n ALA 12 Cb 0.51 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.00 2qp0 n ALA 12 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2qp0 n PHE 13 N 0.00 0.00 -3.21 0.00 0.99 -1.26 -2.86 117.46 111.12 2qp0 n PHE 13 Ca 0.00 -0.32 0.03 0.00 -0.00 0.00 0.00 57.45 57.17 2qp0 n PHE 13 Cb 0.00 -0.09 -0.04 0.00 -1.00 0.00 0.00 39.48 38.35 2qp0 n PHE 13 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.76 176.92 2qp0 s ASP 14 N -1.59 -0.10 0.53 4.37 3.84 -1.26 -4.82 116.67 117.63 2qp0 s ASP 14 Ca 0.11 0.14 0.30 0.00 -0.00 0.00 0.00 52.55 53.10 2qp0 s ASP 14 Cb 0.10 1.12 1.44 0.00 -1.38 0.00 0.00 42.92 44.20 2qp0 s ASP 14 CO -0.00 -0.02 1.90 1.12 -0.00 0.00 0.00 175.17 178.17 2qp0 h HIS 15 N 7.01 0.05 0.00 2.11 2.07 -1.96 0.46 115.15 124.89 2qp0 h HIS 15 Ca -0.14 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.38 2qp0 h HIS 15 Cb 1.13 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 31.09 2qp0 h HIS 15 CO 0.23 0.01 0.00 0.54 -3.07 0.00 0.00 177.93 175.64 2qp0 n ARG 16 N -4.30 0.00 0.01 5.12 1.74 -1.26 -2.16 116.66 115.81 2qp0 n ARG 16 Ca 0.17 0.43 -0.00 0.00 -0.77 0.00 0.00 57.85 57.68 2qp0 n ARG 16 Cb 0.89 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.83 2qp0 n ARG 16 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2qp0 n LEU 17 N -1.49 0.28 -0.34 0.55 -0.00 0.15 -4.50 117.00 111.65 2qp0 n LEU 17 Ca 0.01 0.04 0.08 0.00 -0.00 0.00 0.00 56.01 56.14 2qp0 n LEU 17 Cb 0.04 -0.09 0.25 0.00 -0.00 0.00 0.00 43.42 43.63 2qp0 n LEU 17 CO 0.03 -0.18 1.18 -0.29 -0.00 0.00 0.00 177.39 178.14 2qp0 h ILE 18 N -0.01 0.81 0.00 1.96 6.09 -1.33 0.26 117.51 125.29 2qp0 h ILE 18 Ca -0.00 -0.28 0.00 0.00 -1.37 0.00 0.00 64.86 63.20 2qp0 h ILE 18 Cb 0.76 -0.08 0.00 0.00 0.47 0.00 0.00 36.82 37.97 2qp0 h ILE 18 CO -0.00 0.15 0.00 0.47 -3.07 0.00 0.00 178.15 175.70 2qp0 n ASP 19 N -4.73 0.40 0.02 2.19 10.43 -0.92 -2.51 116.55 121.43 2qp0 n ASP 19 Ca 0.19 0.56 -0.17 0.00 2.57 0.00 0.00 54.79 57.94 2qp0 n ASP 19 Cb 0.43 -0.66 -0.06 0.00 1.84 0.00 0.00 41.12 42.67 2qp0 n ASP 19 CO 0.00 0.00 0.00 1.56 -1.07 0.00 0.00 177.20 177.69 2qp0 h GLN 20 N 0.00 0.66 0.22 -1.24 4.20 -0.68 -3.27 115.11 115.01 2qp0 h GLN 20 Ca 0.00 -0.61 -0.31 0.00 0.06 0.00 0.00 58.65 57.79 2qp0 h GLN 20 Cb 0.51 0.15 0.03 0.00 0.30 0.00 0.00 27.48 28.47 2qp0 h GLN 20 CO 0.00 1.22 -1.39 0.00 -0.67 0.00 0.00 178.83 177.98 2qp0 h ALA 21 N 0.59 -0.11 -0.92 3.87 0.00 -1.49 -3.32 119.26 117.89 2qp0 h ALA 21 Ca -0.08 -0.87 0.15 0.00 0.00 0.00 0.00 54.91 54.11 2qp0 h ALA 21 Cb 1.50 0.21 -0.15 0.00 0.00 0.00 0.00 17.79 19.34 2qp0 h ALA 21 CO 0.17 0.67 -0.37 1.79 0.00 0.00 0.00 179.25 181.52 2qp0 h THR 22 N 0.03 0.03 -0.92 0.00 1.35 -1.57 0.51 112.91 112.35 2qp0 h THR 22 Ca -0.25 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.62 2qp0 h THR 22 Cb 2.06 0.03 -0.05 0.00 -1.73 0.00 0.00 68.15 68.47 2qp0 h THR 22 CO 0.24 0.00 0.60 0.00 -0.25 0.00 0.00 175.52 176.11 2qp0 h ALA 23 N 1.37 1.17 0.45 6.62 0.00 -1.69 -0.03 119.26 127.14 2qp0 h ALA 23 Ca 0.34 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2qp0 h ALA 23 Cb 0.60 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2qp0 h ALA 23 CO -0.94 0.54 -0.21 1.49 0.00 0.00 0.00 179.25 180.13 2qp0 h GLU 24 N 1.23 -0.58 -0.33 0.00 4.81 -0.19 0.27 114.58 119.78 2qp0 h GLU 24 Ca 0.34 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.64 2qp0 h GLU 24 Cb -0.12 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 2qp0 h GLU 24 CO -0.08 -0.38 0.15 0.82 -0.73 0.00 0.00 179.01 178.79 2qp0 h ILE 25 N -0.60 0.96 0.60 2.32 2.04 -0.66 -1.53 117.51 120.65 2qp0 h ILE 25 Ca -0.06 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 2qp0 h ILE 25 Cb 0.46 0.62 0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2qp0 h ILE 25 CO 0.10 0.06 -0.30 0.58 0.00 0.00 0.00 178.15 178.59 2qp0 h VAL 26 N 0.32 0.00 -0.50 1.67 2.07 -0.85 -1.37 116.25 117.59 2qp0 h VAL 26 Ca 0.14 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.73 2qp0 h VAL 26 Cb 0.07 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.75 2qp0 h VAL 26 CO -0.11 0.00 -0.50 -0.33 0.02 0.00 0.00 177.57 176.65 2qp0 h GLU 27 N -0.82 -0.30 -0.36 1.57 5.08 -0.46 -0.11 114.58 119.19 2qp0 h GLU 27 Ca -0.08 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.37 2qp0 h GLU 27 Cb 0.63 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.87 2qp0 h GLU 27 CO 0.13 -0.20 -0.13 1.79 -1.00 0.00 0.00 179.01 179.60 2qp0 h THR 28 N -0.31 0.56 -0.18 1.13 1.35 -1.32 -0.34 112.91 113.80 2qp0 h THR 28 Ca 0.13 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 66.00 2qp0 h THR 28 Cb 0.58 0.56 -0.01 0.00 -1.73 0.00 0.00 68.15 67.54 2qp0 h THR 28 CO -0.64 0.00 0.12 0.00 -0.25 0.00 0.00 175.52 174.75 2qp0 h ALA 29 N 1.26 1.94 0.01 6.62 0.00 -0.25 -2.99 119.26 125.84 2qp0 h ALA 29 Ca 0.18 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2qp0 h ALA 29 Cb 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2qp0 h ALA 29 CO -0.40 0.04 -0.00 0.87 0.00 0.00 0.00 179.25 179.76 2qp0 h LYS 30 N 0.19 -0.01 0.00 0.00 1.57 0.29 -3.19 116.57 115.41 2qp0 h LYS 30 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2qp0 h LYS 30 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2qp0 h LYS 30 CO -0.01 0.81 0.00 2.89 -0.57 0.00 0.00 179.45 182.57 2qp0 n ARG 31 N -4.68 0.01 -1.93 3.15 1.85 -0.27 -2.13 116.66 112.66 2qp0 n ARG 31 Ca -0.09 0.08 -0.29 0.00 -1.00 0.00 0.00 57.85 56.55 2qp0 n ARG 31 Cb 0.40 -1.50 0.03 0.00 -1.05 0.00 0.00 32.46 30.34 2qp0 n ARG 31 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 2qp0 n THR 32 N -1.08 2.91 0.00 8.89 5.66 -1.14 -4.94 114.28 124.58 2qp0 n THR 32 Ca 0.00 -4.06 0.00 0.00 -3.05 0.00 0.00 64.05 56.94 2qp0 n THR 32 Cb 0.00 -1.18 0.00 0.00 -1.55 0.00 0.00 70.33 67.60 2qp0 n THR 32 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qp0 n GLY 33 N -0.69 0.89 3.47 1.09 0.00 -0.90 -4.65 105.19 104.39 2qp0 n GLY 33 Ca 0.49 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.13 2qp0 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qp0 n ALA 34 N 0.00 -1.19 -0.11 4.61 0.00 -1.21 -4.96 120.51 117.66 2qp0 n ALA 34 Ca 0.00 -0.07 -0.24 0.00 0.00 0.00 0.00 53.44 53.14 2qp0 n ALA 34 Cb 0.00 -1.84 -0.11 0.00 0.00 0.00 0.00 19.45 17.50 2qp0 n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qp0 n GLN 35 N -0.20 0.58 -1.89 0.00 10.64 -1.25 -4.34 117.38 120.92 2qp0 n GLN 35 Ca 0.11 0.49 0.00 0.00 -1.83 0.00 0.00 57.00 55.77 2qp0 n GLN 35 Cb 0.48 -1.69 0.00 0.00 -0.86 0.00 0.00 30.24 28.17 2qp0 n GLN 35 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 2qp0 n VAL 36 N -4.33 -5.58 0.00 -0.39 0.31 -1.24 -4.86 118.33 102.24 2qp0 n VAL 36 Ca -0.37 2.58 0.00 0.00 -0.01 0.00 0.00 64.34 66.54 2qp0 n VAL 36 Cb 0.75 -3.36 0.00 0.00 -0.91 0.00 0.00 33.84 30.32 2qp0 n VAL 36 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2qp0 n ARG 37 N 0.35 0.00 0.00 5.55 3.00 -1.19 -4.89 116.66 119.48 2qp0 n ARG 37 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2qp0 n ARG 37 Cb 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 32.46 32.07 2qp0 n ARG 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2qp0 n GLY 38 N 0.00 0.75 3.66 5.14 0.00 -1.26 -5.12 105.19 108.37 2qp0 n GLY 38 Ca 0.00 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 2qp0 n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qp0 s PRO 39 N -2.00 4.22 -0.11 1.61 0.04 -1.26 -4.00 135.00 133.50 2qp0 s PRO 39 Ca 0.00 1.94 -0.02 0.00 0.04 0.00 0.00 61.00 62.96 2qp0 s PRO 39 Cb 0.00 -3.84 -0.03 0.00 0.04 0.00 0.00 34.50 30.67 2qp0 s PRO 39 CO 0.00 -0.75 -0.04 0.42 0.04 0.00 0.00 177.00 176.67 2qp0 s ILE 40 N 3.61 3.95 -0.11 0.56 1.09 -1.26 -4.94 121.20 124.11 2qp0 s ILE 40 Ca 0.64 -0.37 -0.28 0.00 -1.10 0.00 0.00 60.65 59.55 2qp0 s ILE 40 Cb -0.28 -2.67 -0.24 0.00 -1.06 0.00 0.00 42.46 38.20 2qp0 s ILE 40 CO 0.23 0.56 0.91 1.55 -0.10 0.00 0.00 174.94 178.08 2qp0 h PRO 41 N 5.77 -0.00 -3.14 2.79 0.13 -1.96 -2.27 132.00 133.32 2qp0 h PRO 41 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2qp0 h PRO 41 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2qp0 h PRO 41 CO 0.57 0.85 -0.81 1.28 -0.23 0.00 0.00 178.00 179.66 2qp0 n LEU 42 N -4.68 -1.50 -4.75 1.56 4.32 -1.26 -4.20 117.00 106.49 2qp0 n LEU 42 Ca -0.10 2.43 -0.40 0.00 -0.02 0.00 0.00 56.01 57.92 2qp0 n LEU 42 Cb 0.41 -2.47 0.01 0.00 -1.62 0.00 0.00 43.42 39.76 2qp0 n LEU 42 CO 0.34 -0.54 1.03 -0.81 -1.22 0.00 0.00 177.39 176.19 2qp0 n PRO 43 N -2.22 2.22 -3.90 3.23 -0.04 -1.26 -4.80 135.00 128.23 2qp0 n PRO 43 Ca 0.00 0.79 -0.37 0.00 -0.04 0.00 0.00 63.50 63.88 2qp0 n PRO 43 Cb 0.35 -2.57 -0.06 0.00 -0.04 0.00 0.00 33.50 31.18 2qp0 n PRO 43 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2qp0 s THR 44 N -1.18 5.47 -0.45 0.52 2.01 -1.26 -4.89 115.64 115.85 2qp0 s THR 44 Ca 0.60 0.19 -0.19 0.00 0.31 0.00 0.00 61.69 62.60 2qp0 s THR 44 Cb -0.47 -3.38 0.03 0.00 0.01 0.00 0.00 72.50 68.69 2qp0 s THR 44 CO 0.58 0.62 0.56 -0.13 -0.69 0.00 0.00 174.62 175.57 2qp0 s ARG 45 N -1.02 3.17 -1.09 4.92 1.81 -1.25 -4.97 118.95 120.52 2qp0 s ARG 45 Ca 0.15 -0.64 -0.11 0.00 -1.72 0.00 0.00 55.73 53.41 2qp0 s ARG 45 Cb -0.12 -3.99 0.25 0.00 -0.45 0.00 0.00 34.95 30.64 2qp0 s ARG 45 CO 0.04 -1.01 1.12 -1.59 -0.68 0.00 0.00 175.30 173.19 2qp0 s LYS 46 N 2.53 4.09 -0.23 3.54 -2.85 -1.26 -2.45 119.74 123.09 2qp0 s LYS 46 Ca 0.17 -2.97 -0.28 0.00 -1.00 0.00 0.00 55.97 51.89 2qp0 s LYS 46 Cb -0.16 -4.64 -0.04 0.00 -2.06 0.00 0.00 37.83 30.93 2qp0 s LYS 46 CO 0.15 -1.35 2.03 -1.21 0.10 0.00 0.00 175.35 175.07 2qp0 s GLU 47 N -0.48 3.31 -0.08 1.78 8.01 -1.17 -4.75 118.70 125.32 2qp0 s GLU 47 Ca 0.31 1.86 -0.03 0.00 0.01 0.00 0.00 54.97 57.12 2qp0 s GLU 47 Cb -0.09 -4.28 -0.04 0.00 -4.31 0.00 0.00 34.13 25.42 2qp0 s GLU 47 CO -0.07 -1.89 0.06 1.03 0.01 0.00 0.00 175.26 174.40 2qp0 s ARG 48 N 5.88 3.13 -0.10 1.61 0.52 -1.26 0.30 118.95 129.03 2qp0 s ARG 48 Ca 0.91 -0.34 -0.01 0.00 -0.52 0.00 0.00 55.73 55.77 2qp0 s ARG 48 Cb -0.30 -2.92 0.03 0.00 0.52 0.00 0.00 34.95 32.28 2qp0 s ARG 48 CO 0.35 0.72 -0.02 -0.06 0.02 0.00 0.00 175.30 176.30 2qp0 s PHE 49 N -0.98 0.97 -0.11 -0.53 2.99 0.31 -4.95 117.98 115.67 2qp0 s PHE 49 Ca 0.16 -0.41 -0.10 0.00 0.00 0.00 0.00 56.93 56.57 2qp0 s PHE 49 Cb -0.12 -0.96 -0.05 0.00 0.00 0.00 0.00 43.02 41.90 2qp0 s PHE 49 CO 0.05 -0.41 0.21 0.99 -0.00 0.00 0.00 175.22 176.06 2qp0 s THR 50 N 1.88 5.37 -0.18 0.64 2.01 -1.26 0.11 115.64 124.22 2qp0 s THR 50 Ca 0.04 0.38 -0.12 0.00 0.31 0.00 0.00 61.69 62.30 2qp0 s THR 50 Cb -0.13 -3.50 0.06 0.00 0.01 0.00 0.00 72.50 68.94 2qp0 s THR 50 CO -0.06 0.56 0.45 0.54 -0.69 0.00 0.00 174.62 175.42 2qp0 s VAL 51 N -0.71 -0.01 0.16 3.82 0.11 0.17 -4.89 120.40 119.04 2qp0 s VAL 51 Ca 0.16 0.05 -0.33 0.00 -2.93 0.00 0.00 61.98 58.93 2qp0 s VAL 51 Cb -0.13 -0.65 -0.16 0.00 -1.53 0.00 0.00 36.38 33.91 2qp0 s VAL 51 CO 0.05 0.02 1.19 0.18 -3.33 0.00 0.00 175.10 173.21 2qp0 n LEU 52 N 3.74 1.53 -0.10 2.54 4.32 -1.26 -0.80 117.00 126.97 2qp0 n LEU 52 Ca -0.19 1.14 -0.18 0.00 -0.02 0.00 0.00 56.01 56.76 2qp0 n LEU 52 Cb 0.56 -1.21 -0.09 0.00 -1.62 0.00 0.00 43.42 41.06 2qp0 n LEU 52 CO 0.09 -1.26 -0.54 0.00 -1.22 0.00 0.00 177.39 174.45 2qp0 n ILE 53 N 1.67 1.50 -2.66 -0.08 3.06 -1.26 -4.80 119.36 116.80 2qp0 n ILE 53 Ca 0.16 0.02 -0.42 0.00 -2.50 0.00 0.00 62.75 60.01 2qp0 n ILE 53 Cb 0.23 -2.12 -0.04 0.00 0.54 0.00 0.00 39.64 38.25 2qp0 n ILE 53 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 2qp0 s SER 54 N -6.60 7.37 0.17 9.51 0.15 -1.26 -5.03 113.70 118.01 2qp0 s SER 54 Ca -0.26 1.81 -0.30 0.00 0.70 0.00 0.00 55.95 57.90 2qp0 s SER 54 Cb 0.05 -2.58 -0.07 0.00 -1.71 0.00 0.00 66.02 61.71 2qp0 s SER 54 CO 0.49 -0.21 0.98 -2.16 1.20 0.00 0.00 173.24 173.54 2qp0 s PRO 55 N 0.47 4.74 0.14 5.44 0.04 -1.26 -4.71 135.00 139.86 2qp0 s PRO 55 Ca 0.51 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2qp0 s PRO 55 Cb -0.24 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 30.98 2qp0 s PRO 55 CO 0.30 0.30 0.00 1.58 0.04 0.00 0.00 177.00 179.21 2qp0 n HIS 56 N 2.23 -3.28 -0.70 0.56 -0.00 -1.26 -4.95 115.22 107.82 2qp0 n HIS 56 Ca 0.01 1.97 0.09 0.00 0.46 0.00 0.00 57.72 60.25 2qp0 n HIS 56 Cb 0.48 -3.12 -0.02 0.00 -0.12 0.00 0.00 29.99 27.21 2qp0 n HIS 56 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 2qp0 n VAL 57 N 1.24 0.00 -1.64 3.57 3.14 -1.26 -4.98 118.33 118.40 2qp0 n VAL 57 Ca 0.00 0.04 -0.00 0.00 -2.96 0.00 0.00 64.34 61.41 2qp0 n VAL 57 Cb 0.00 -0.26 0.00 0.00 -1.06 0.00 0.00 33.84 32.52 2qp0 n VAL 57 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2qp0 n ASN 58 N -4.37 -2.12 0.21 6.55 3.02 -1.26 -4.83 115.26 112.47 2qp0 n ASN 58 Ca 0.00 -0.02 0.05 0.00 -0.03 0.00 0.00 54.58 54.58 2qp0 n ASN 58 Cb 0.58 -0.64 0.46 0.00 -0.61 0.00 0.00 39.78 39.57 2qp0 n ASN 58 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2qp0 h LYS 59 N -0.04 0.00 -1.03 3.52 2.10 -1.94 -2.69 116.57 116.50 2qp0 h LYS 59 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2qp0 h LYS 59 Cb 1.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 2qp0 h LYS 59 CO 0.01 0.25 0.00 -0.25 -2.00 0.00 0.00 179.45 177.47 2qp0 n ASP 60 N -4.18 2.36 0.00 7.07 9.92 -1.26 -3.96 116.55 126.50 2qp0 n ASP 60 Ca -0.02 -1.89 0.00 0.00 -0.53 0.00 0.00 54.79 52.35 2qp0 n ASP 60 Cb 0.31 -0.47 0.00 0.00 -0.64 0.00 0.00 41.12 40.32 2qp0 n ASP 60 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qp0 n ALA 61 N 0.40 0.88 -0.63 2.24 0.00 -1.01 -5.11 120.51 117.28 2qp0 n ALA 61 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.46 2qp0 n ALA 61 Cb 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.84 2qp0 n ALA 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qp0 n ARG 62 N -1.73 -1.16 -3.39 0.00 5.12 -1.25 -4.80 116.66 109.45 2qp0 n ARG 62 Ca 0.00 0.76 0.03 0.00 -1.93 0.00 0.00 57.85 56.71 2qp0 n ARG 62 Cb 0.00 -1.41 -0.05 0.00 -1.16 0.00 0.00 32.46 29.84 2qp0 n ARG 62 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2qp0 s ASP 63 N -3.80 -0.09 -0.18 0.55 -1.08 0.02 -4.09 116.67 108.00 2qp0 s ASP 63 Ca 0.00 0.13 -0.07 0.00 -0.52 0.00 0.00 52.55 52.09 2qp0 s ASP 63 Cb 0.00 1.08 -0.04 0.00 -1.46 0.00 0.00 42.92 42.50 2qp0 s ASP 63 CO 0.00 -0.02 0.04 0.00 0.52 0.00 0.00 175.17 175.71 2qp0 s GLN 64 N 1.64 3.90 -0.03 4.34 -2.07 -1.26 0.46 119.66 126.65 2qp0 s GLN 64 Ca -0.03 -0.38 0.06 0.00 -1.82 0.00 0.00 55.36 53.18 2qp0 s GLN 64 Cb -0.02 -3.15 -0.01 0.00 -1.09 0.00 0.00 33.01 28.74 2qp0 s GLN 64 CO -0.14 0.25 -0.21 0.71 -1.32 0.00 0.00 175.29 174.59 2qp0 s TYR 65 N 0.40 1.97 0.34 9.60 1.51 0.31 -4.89 117.35 126.58 2qp0 s TYR 65 Ca 0.02 -0.48 0.09 0.00 -1.01 0.00 0.00 57.07 55.69 2qp0 s TYR 65 Cb -0.13 -1.29 -0.05 0.00 -0.11 0.00 0.00 41.96 40.38 2qp0 s TYR 65 CO 0.01 -0.11 -0.00 -1.83 -1.11 0.00 0.00 175.55 172.51 2qp0 s GLU 66 N -0.27 2.05 -0.38 -0.62 -1.05 -1.26 0.11 118.70 117.28 2qp0 s GLU 66 Ca 0.02 -1.76 0.00 0.00 -0.15 0.00 0.00 54.97 53.08 2qp0 s GLU 66 Cb -0.10 -1.91 0.13 0.00 -0.44 0.00 0.00 34.13 31.81 2qp0 s GLU 66 CO 0.01 0.14 0.20 0.42 0.95 0.00 0.00 175.26 176.98 2qp0 s ILE 67 N -2.52 0.80 -0.45 1.83 1.01 0.15 -4.96 121.20 117.05 2qp0 s ILE 67 Ca 0.34 -1.94 -0.28 0.00 0.00 0.00 0.00 60.65 58.77 2qp0 s ILE 67 Cb 0.00 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 40.90 2qp0 s ILE 67 CO 0.19 -0.87 1.52 -0.13 0.00 0.00 0.00 174.94 175.65 2qp0 s ARG 68 N 0.94 3.39 -1.02 2.79 0.52 -1.26 -3.03 118.95 121.27 2qp0 s ARG 68 Ca 0.16 0.89 -0.13 0.00 -0.52 0.00 0.00 55.73 56.13 2qp0 s ARG 68 Cb -0.22 -4.11 0.21 0.00 0.52 0.00 0.00 34.95 31.35 2qp0 s ARG 68 CO -0.07 -1.80 1.09 0.99 0.02 0.00 0.00 175.30 175.53 2qp0 s THR 69 N 6.14 5.47 1.39 0.02 2.01 -1.03 -4.39 115.64 125.26 2qp0 s THR 69 Ca 0.63 -2.68 -0.22 0.00 0.31 0.00 0.00 61.69 59.74 2qp0 s THR 69 Cb -0.14 -4.66 0.36 0.00 0.01 0.00 0.00 72.50 68.06 2qp0 s THR 69 CO 0.30 -1.29 0.94 -1.00 -0.69 0.00 0.00 174.62 172.88 2qp0 s HIS 70 N 0.42 -0.38 -0.07 4.92 0.09 -1.13 -3.93 115.29 115.20 2qp0 s HIS 70 Ca 0.30 0.65 -0.32 0.00 -0.00 0.00 0.00 55.06 55.70 2qp0 s HIS 70 Cb -0.08 -2.92 0.12 0.00 -0.00 0.00 0.00 32.58 29.71 2qp0 s HIS 70 CO -0.07 -4.87 1.15 -0.48 -0.00 0.00 0.00 174.74 170.47 2qp0 s LEU 71 N -7.79 -0.16 0.01 0.89 2.34 -1.25 -3.37 118.68 109.35 2qp0 s LEU 71 Ca 0.69 -0.08 -0.08 0.00 0.06 0.00 0.00 54.13 54.72 2qp0 s LEU 71 Cb -0.15 1.58 0.00 0.00 -0.56 0.00 0.00 46.19 47.06 2qp0 s LEU 71 CO 0.59 -0.39 0.15 -0.13 -1.06 0.00 0.00 176.35 175.50 2qp0 s ARG 72 N -2.63 0.52 -0.14 1.48 1.81 -0.66 -4.54 118.95 114.78 2qp0 s ARG 72 Ca 0.10 -0.44 -0.12 0.00 -1.72 0.00 0.00 55.73 53.55 2qp0 s ARG 72 Cb 0.01 0.21 -0.04 0.00 -0.45 0.00 0.00 34.95 34.68 2qp0 s ARG 72 CO -0.04 -0.13 -0.24 -0.11 -0.68 0.00 0.00 175.30 174.10 2qp0 n LEU 73 N 1.33 1.58 0.00 2.53 -0.00 -0.85 -0.34 117.00 121.24 2qp0 n LEU 73 Ca -0.22 0.39 0.00 0.00 -0.00 0.00 0.00 56.01 56.18 2qp0 n LEU 73 Cb 0.56 -0.74 0.00 0.00 -0.00 0.00 0.00 43.42 43.24 2qp0 n LEU 73 CO 0.21 -0.37 0.00 0.52 -0.00 0.00 0.00 177.39 177.75 2qp0 n VAL 74 N -4.17 0.00 -1.96 1.96 0.31 -1.26 -2.75 118.33 110.46 2qp0 n VAL 74 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2qp0 n VAL 74 Cb 0.35 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 2qp0 n VAL 74 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2qp0 n ASP 75 N 6.77 -7.73 -4.49 4.52 4.64 -1.22 -4.14 116.55 114.90 2qp0 n ASP 75 Ca 0.00 1.35 -0.33 0.00 -1.38 0.00 0.00 54.79 54.43 2qp0 n ASP 75 Cb 0.00 -4.21 -0.13 0.00 -1.04 0.00 0.00 41.12 35.74 2qp0 n ASP 75 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 2qp0 s ILE 76 N -0.45 3.43 0.30 5.18 -5.25 -0.85 -3.17 121.20 120.39 2qp0 s ILE 76 Ca 0.00 -0.56 0.07 0.00 -0.99 0.00 0.00 60.65 59.17 2qp0 s ILE 76 Cb 0.00 -2.42 -0.03 0.00 2.95 0.00 0.00 42.46 42.97 2qp0 s ILE 76 CO 0.00 0.56 0.28 -0.69 -1.79 0.00 0.00 174.94 173.30 2qp0 s VAL 77 N -0.31 4.02 -1.16 8.37 1.01 -1.26 0.22 120.40 131.29 2qp0 s VAL 77 Ca 0.04 -1.33 -0.03 0.00 0.00 0.00 0.00 61.98 60.65 2qp0 s VAL 77 Cb -0.13 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 2qp0 s VAL 77 CO 0.02 -0.25 0.91 -0.62 0.00 0.00 0.00 175.10 175.17 2qp0 n GLU 78 N -1.33 -4.54 -1.87 2.72 -0.58 -1.26 -3.67 120.64 110.11 2qp0 n GLU 78 Ca -0.04 0.79 -0.42 0.00 -0.42 0.00 0.00 57.16 57.07 2qp0 n GLU 78 Cb 0.59 -5.63 -0.03 0.00 -0.57 0.00 0.00 31.44 25.80 2qp0 n GLU 78 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2qp0 s PRO 79 N -5.18 3.14 0.51 3.49 0.04 -1.26 -4.41 135.00 131.33 2qp0 s PRO 79 Ca 0.18 1.52 -0.22 0.00 0.04 0.00 0.00 61.00 62.53 2qp0 s PRO 79 Cb -0.03 -4.29 -0.06 0.00 0.04 0.00 0.00 34.50 30.16 2qp0 s PRO 79 CO 0.76 -2.09 1.23 0.95 0.04 0.00 0.00 177.00 177.88 2qp0 s THR 80 N 7.80 2.74 0.47 1.26 -4.23 -1.26 -4.88 115.64 117.53 2qp0 s THR 80 Ca 0.85 0.53 0.28 0.00 -1.18 0.00 0.00 61.69 62.17 2qp0 s THR 80 Cb -0.24 -3.26 0.47 0.00 1.34 0.00 0.00 72.50 70.81 2qp0 s THR 80 CO 0.32 -0.03 1.78 -0.08 -0.54 0.00 0.00 174.62 176.08 2qp0 h GLU 81 N 1.65 0.18 -2.83 3.99 4.22 -1.92 -2.37 114.58 117.50 2qp0 h GLU 81 Ca -0.50 -0.01 -0.72 0.00 0.08 0.00 0.00 59.36 58.21 2qp0 h GLU 81 Cb 1.27 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.41 2qp0 h GLU 81 CO 0.58 0.12 2.95 1.63 -2.18 0.00 0.00 179.01 182.11 2qp0 n LYS 82 N -4.42 4.19 0.00 1.92 4.01 -1.26 -3.94 118.16 118.66 2qp0 n LYS 82 Ca 0.26 -2.98 0.00 0.00 -0.51 0.00 0.00 58.31 55.07 2qp0 n LYS 82 Cb 1.07 -2.72 0.00 0.00 -0.51 0.00 0.00 35.03 32.87 2qp0 n LYS 82 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2qp0 n THR 83 N 2.55 0.00 0.00 -0.18 -1.04 -0.89 -4.25 114.28 110.47 2qp0 n THR 83 Ca 0.67 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.68 2qp0 n THR 83 Cb 0.25 -0.21 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 2qp0 n THR 83 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2qp0 n VAL 84 N -1.20 0.19 0.00 12.58 0.31 -1.25 -2.32 118.33 126.64 2qp0 n VAL 84 Ca 0.00 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2qp0 n VAL 84 Cb 0.13 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 2qp0 n VAL 84 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2qp0 n ASP 85 N -1.01 0.00 -0.16 4.52 8.00 -1.26 -4.72 116.55 121.92 2qp0 n ASP 85 Ca 0.00 0.00 0.21 0.00 0.71 0.00 0.00 54.79 55.71 2qp0 n ASP 85 Cb 0.00 0.00 0.61 0.00 -0.02 0.00 0.00 41.12 41.71 2qp0 n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qp0 h ALA 86 N 0.00 2.44 -0.01 2.24 0.00 -1.64 0.40 119.26 122.69 2qp0 h ALA 86 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qp0 h ALA 86 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2qp0 h ALA 86 CO 0.00 -0.68 -0.42 1.28 0.00 0.00 0.00 179.25 179.43 2qp0 n LEU 87 N -4.41 1.56 -0.03 0.00 4.32 -1.09 -3.93 117.00 113.43 2qp0 n LEU 87 Ca 0.16 -0.54 0.16 0.00 -0.02 0.00 0.00 56.01 55.77 2qp0 n LEU 87 Cb 0.73 -0.05 0.87 0.00 -1.62 0.00 0.00 43.42 43.34 2qp0 n LEU 87 CO 0.35 0.30 1.07 0.23 -1.22 0.00 0.00 177.39 178.11 2qp0 n MET 88 N -0.37 0.88 -0.05 3.23 2.81 0.14 -3.02 117.12 120.74 2qp0 n MET 88 Ca 0.10 -0.06 -0.03 0.00 -1.81 0.00 0.00 57.70 55.91 2qp0 n MET 88 Cb 0.41 -1.50 -0.15 0.00 -0.71 0.00 0.00 33.22 31.27 2qp0 n MET 88 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2qp0 n ARG 89 N -1.01 0.67 0.00 0.03 3.00 -1.20 -4.26 116.66 113.89 2qp0 n ARG 89 Ca 0.21 -0.02 0.00 0.00 -0.01 0.00 0.00 57.85 58.03 2qp0 n ARG 89 Cb 0.16 -1.57 0.00 0.00 0.00 0.00 0.00 32.46 31.05 2qp0 n ARG 89 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2qp0 n LEU 90 N -2.64 0.69 -2.20 0.55 4.77 -1.17 -4.50 117.00 112.50 2qp0 n LEU 90 Ca -0.21 -0.34 -0.06 0.00 -0.03 0.00 0.00 56.01 55.37 2qp0 n LEU 90 Cb 0.94 -0.34 -0.08 0.00 -2.33 0.00 0.00 43.42 41.61 2qp0 n LEU 90 CO 0.44 0.17 1.02 -0.90 -1.33 0.00 0.00 177.39 176.79 2qp0 n ASP 91 N -0.10 2.69 -4.94 -1.43 3.85 -1.26 -4.82 116.55 110.54 2qp0 n ASP 91 Ca 0.00 -1.98 -0.20 0.00 -0.71 0.00 0.00 54.79 51.90 2qp0 n ASP 91 Cb 0.17 -0.71 0.06 0.00 -1.35 0.00 0.00 41.12 39.29 2qp0 n ASP 91 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 2qp0 s LEU 92 N 0.00 3.19 -0.15 -2.12 2.01 -1.26 -4.91 118.68 115.44 2qp0 s LEU 92 Ca 0.31 -0.60 -0.10 0.00 0.01 0.00 0.00 54.13 53.76 2qp0 s LEU 92 Cb 0.15 -1.99 0.04 0.00 0.01 0.00 0.00 46.19 44.40 2qp0 s LEU 92 CO 0.00 -1.34 0.20 0.00 1.01 0.00 0.00 176.35 176.22 2qp0 n ALA 93 N -2.32 -3.56 1.27 4.21 0.00 -1.26 -4.75 120.51 114.09 2qp0 n ALA 93 Ca 0.14 1.95 0.11 0.00 0.00 0.00 0.00 53.44 55.64 2qp0 n ALA 93 Cb 0.61 -3.82 0.62 0.00 0.00 0.00 0.00 19.45 16.86 2qp0 n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qp0 n ALA 94 N 1.36 2.26 -0.02 0.00 0.00 -1.26 -2.72 120.51 120.13 2qp0 n ALA 94 Ca -0.34 -0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.07 2qp0 n ALA 94 Cb 0.52 -1.36 -0.17 0.00 0.00 0.00 0.00 19.45 18.44 2qp0 n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qp0 n GLY 95 N 0.47 -1.00 3.77 0.00 0.00 -1.26 -4.95 105.19 102.22 2qp0 n GLY 95 Ca 0.14 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 2qp0 n GLY 95 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qp0 s VAL 96 N -3.44 4.25 0.04 1.61 -7.23 -1.10 -4.48 120.40 110.04 2qp0 s VAL 96 Ca -0.08 1.84 0.05 0.00 -1.81 0.00 0.00 61.98 61.98 2qp0 s VAL 96 Cb 0.13 -4.18 -0.04 0.00 0.56 0.00 0.00 36.38 32.85 2qp0 s VAL 96 CO 0.90 0.46 -0.08 -0.62 -0.31 0.00 0.00 175.10 175.46 2qp0 s ASP 97 N -1.24 4.56 -0.31 4.85 2.15 -0.50 -4.91 116.67 121.27 2qp0 s ASP 97 Ca 0.40 -0.23 -0.05 0.00 0.43 0.00 0.00 52.55 53.10 2qp0 s ASP 97 Cb -0.23 -1.00 0.03 0.00 -0.30 0.00 0.00 42.92 41.42 2qp0 s ASP 97 CO 0.28 0.24 0.07 0.68 -0.17 0.00 0.00 175.17 176.27 2qp0 s VAL 98 N -1.08 3.64 -0.51 1.11 -7.23 -1.26 -2.81 120.40 112.27 2qp0 s VAL 98 Ca 0.19 -1.04 0.02 0.00 -1.81 0.00 0.00 61.98 59.34 2qp0 s VAL 98 Cb -0.11 -3.00 0.48 0.00 0.56 0.00 0.00 36.38 34.31 2qp0 s VAL 98 CO 0.10 -0.06 1.73 0.00 -0.31 0.00 0.00 175.10 176.56 2qp0 n GLN 99 N 4.79 2.84 -1.71 4.82 6.02 -0.91 -4.97 117.38 128.27 2qp0 n GLN 99 Ca -0.13 -3.51 -0.40 0.00 -0.01 0.00 0.00 57.00 52.94 2qp0 n GLN 99 Cb 0.46 -2.24 0.02 0.00 1.02 0.00 0.00 30.24 29.50 2qp0 n GLN 99 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2qp0 n ILE 100 N -0.90 2.86 -2.73 5.09 -6.64 -1.25 -4.02 119.36 111.77 2qp0 n ILE 100 Ca 0.55 -0.50 0.00 0.00 -1.77 0.00 0.00 62.75 61.03 2qp0 n ILE 100 Cb 0.86 -1.57 0.00 0.00 -1.44 0.00 0.00 39.64 37.49 2qp0 n ILE 100 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 2qp0 n SER 101 N -0.09 0.00 -0.04 7.28 2.88 -0.59 -4.94 113.62 118.13 2qp0 n SER 101 Ca 0.08 -0.21 0.16 0.00 -1.33 0.00 0.00 58.87 57.56 2qp0 n SER 101 Cb 0.41 0.00 0.92 0.00 -0.75 0.00 0.00 64.21 64.79 2qp0 n SER 101 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99