#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zqe n LYS 4 N 0.00 1.88 -4.40 5.55 4.81 -1.26 -4.81 118.16 119.93 2zqe n LYS 4 Ca 0.00 0.68 -0.21 0.00 -0.87 0.00 0.00 58.31 57.91 2zqe n LYS 4 Cb 0.00 -2.42 -0.16 0.00 0.02 0.00 0.00 35.03 32.48 2zqe n LYS 4 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2zqe s GLU 5 N 0.93 1.01 -0.13 1.64 2.12 -1.26 -0.80 118.70 122.21 2zqe s GLU 5 Ca 0.81 -0.31 0.01 0.00 0.36 0.00 0.00 54.97 55.83 2zqe s GLU 5 Cb -0.76 -0.93 -0.01 0.00 0.26 0.00 0.00 34.13 32.69 2zqe s GLU 5 CO 0.41 0.11 -0.15 0.08 -0.54 0.00 0.00 175.26 175.16 2zqe s VAL 6 N 0.23 2.86 -0.50 3.70 1.01 -0.51 -4.98 120.40 122.21 2zqe s VAL 6 Ca -0.04 -0.73 -0.19 0.00 0.00 0.00 0.00 61.98 61.02 2zqe s VAL 6 Cb -0.09 -2.19 0.05 0.00 0.00 0.00 0.00 36.38 34.16 2zqe s VAL 6 CO 0.01 0.53 0.63 -0.62 0.00 0.00 0.00 175.10 175.65 2zqe s ASP 7 N 0.37 6.24 0.00 3.32 -1.08 -1.26 -1.06 116.67 123.19 2zqe s ASP 7 Ca -0.12 -0.82 0.25 0.00 -0.52 0.00 0.00 52.55 51.33 2zqe s ASP 7 Cb -0.16 -2.30 0.36 0.00 -1.46 0.00 0.00 42.92 39.36 2zqe s ASP 7 CO 0.06 -0.88 1.36 0.18 0.52 0.00 0.00 175.17 176.41 2zqe n LEU 8 N 6.20 2.70 -4.77 -1.34 4.77 0.10 -4.98 117.00 119.68 2zqe n LEU 8 Ca -0.06 -0.90 -0.41 0.00 -0.03 0.00 0.00 56.01 54.61 2zqe n LEU 8 Cb 0.46 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 2zqe n LEU 8 CO 0.54 0.45 1.05 -0.13 -1.33 0.00 0.00 177.39 177.97 2zqe s ARG 9 N -2.00 4.27 0.00 3.23 0.52 -1.19 -2.26 118.95 121.51 2zqe s ARG 9 Ca 0.30 2.34 0.00 0.00 -0.52 0.00 0.00 55.73 57.85 2zqe s ARG 9 Cb 0.20 -3.05 0.00 0.00 0.52 0.00 0.00 34.95 32.62 2zqe s ARG 9 CO 0.31 -0.34 0.00 0.41 0.02 0.00 0.00 175.30 175.70 2zqe n GLY 10 N 1.03 1.00 3.86 -3.53 0.00 -1.26 -5.06 105.19 101.23 2zqe n GLY 10 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 2zqe n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2zqe s LEU 11 N 0.00 4.14 0.99 0.99 1.43 -0.96 -5.09 118.68 120.18 2zqe s LEU 11 Ca 0.00 1.05 -0.12 0.00 -1.03 0.00 0.00 54.13 54.04 2zqe s LEU 11 Cb 0.00 -3.81 0.18 0.00 0.03 0.00 0.00 46.19 42.59 2zqe s LEU 11 CO 0.00 -0.11 1.08 0.42 0.23 0.00 0.00 176.35 177.97 2zqe s THR 12 N -1.86 2.31 0.21 5.49 -4.23 -1.26 -4.73 115.64 111.56 2zqe s THR 12 Ca 0.49 0.10 -0.11 0.00 -1.18 0.00 0.00 61.69 61.00 2zqe s THR 12 Cb -0.11 -2.35 0.16 0.00 1.34 0.00 0.00 72.50 71.54 2zqe s THR 12 CO 0.20 -0.13 1.69 0.58 -0.54 0.00 0.00 174.62 176.42 2zqe h VAL 13 N -1.97 0.61 -0.47 2.29 2.07 -1.98 0.54 116.25 117.34 2zqe h VAL 13 Ca -0.52 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 2zqe h VAL 13 Cb 1.30 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 2zqe h VAL 13 CO 0.50 0.04 0.23 0.00 0.02 0.00 0.00 177.57 178.36 2zqe h ALA 14 N 1.48 0.60 -0.49 1.67 0.00 -1.99 0.60 119.26 121.13 2zqe h ALA 14 Ca 0.30 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2zqe h ALA 14 Cb 0.46 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2zqe h ALA 14 CO -0.42 0.16 0.12 0.93 0.00 0.00 0.00 179.25 180.03 2zqe h GLU 15 N 0.61 0.79 -0.45 0.00 5.08 -1.84 -1.87 114.58 116.91 2zqe h GLU 15 Ca 0.16 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2zqe h GLU 15 Cb 0.11 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2zqe h GLU 15 CO -0.02 0.77 0.27 0.00 -1.00 0.00 0.00 179.01 179.03 2zqe h ALA 16 N 0.99 0.57 -0.53 3.43 0.00 -0.55 -1.17 119.26 121.99 2zqe h ALA 16 Ca 0.15 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2zqe h ALA 16 Cb 0.34 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2zqe h ALA 16 CO 0.00 0.06 -0.02 -0.07 0.00 0.00 0.00 179.25 179.22 2zqe h LEU 17 N 0.59 0.90 -0.53 0.00 3.38 -0.80 0.13 115.31 118.99 2zqe h LEU 17 Ca 0.16 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.92 2zqe h LEU 17 Cb 0.00 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 2zqe h LEU 17 CO -0.03 0.97 0.30 0.25 0.09 0.00 0.00 178.44 180.02 2zqe h LEU 18 N 0.85 0.47 -0.63 1.67 5.85 -1.10 -1.36 115.31 121.05 2zqe h LEU 18 Ca 0.15 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.76 2zqe h LEU 18 Cb 0.53 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2zqe h LEU 18 CO 0.03 0.33 -0.31 -0.08 -0.34 0.00 0.00 178.44 178.06 2zqe h GLU 19 N 0.59 0.73 -0.59 1.25 4.57 -0.85 -2.30 114.58 117.98 2zqe h GLU 19 Ca 0.22 -0.33 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 2zqe h GLU 19 Cb 0.07 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 2zqe h GLU 19 CO -0.12 0.95 0.36 0.28 -1.18 0.00 0.00 179.01 179.30 2zqe h VAL 20 N 0.62 1.17 -0.57 0.32 2.07 -0.51 0.17 116.25 119.52 2zqe h VAL 20 Ca 0.07 -0.37 0.06 0.00 0.82 0.00 0.00 66.70 67.28 2zqe h VAL 20 Cb 0.84 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 2zqe h VAL 20 CO 0.07 0.17 0.28 -0.78 0.02 0.00 0.00 177.57 177.34 2zqe h ASP 21 N 0.80 0.40 -0.38 0.57 3.58 -1.09 -0.24 116.42 120.07 2zqe h ASP 21 Ca 0.21 0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.64 2zqe h ASP 21 Cb -0.03 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 2zqe h ASP 21 CO -0.04 0.26 -0.02 -0.61 -2.88 0.00 0.00 179.24 175.96 2zqe h GLN 22 N 0.54 0.68 -0.52 0.28 5.75 -1.03 -2.07 115.11 118.73 2zqe h GLN 22 Ca 0.26 -0.22 -0.07 0.00 -0.15 0.00 0.00 58.65 58.47 2zqe h GLN 22 Cb 0.18 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 2zqe h GLN 22 CO -0.19 0.79 0.06 0.00 -2.65 0.00 0.00 178.83 176.84 2zqe h ALA 23 N 0.87 1.13 -0.47 3.38 0.00 -0.27 -0.18 119.26 123.72 2zqe h ALA 23 Ca 0.10 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2zqe h ALA 23 Cb 0.49 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2zqe h ALA 23 CO 0.02 0.57 -0.06 -0.07 0.00 0.00 0.00 179.25 179.71 2zqe h LEU 24 N 0.78 0.86 -0.34 0.00 3.38 -1.00 -0.09 115.31 118.91 2zqe h LEU 24 Ca 0.16 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.80 2zqe h LEU 24 Cb 0.39 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2zqe h LEU 24 CO 0.01 1.00 0.21 -0.08 0.09 0.00 0.00 178.44 179.66 2zqe h GLU 25 N 0.71 0.41 -0.46 1.13 4.57 -0.90 -1.39 114.58 118.65 2zqe h GLU 25 Ca 0.12 -0.02 -0.14 0.00 -1.18 0.00 0.00 59.36 58.15 2zqe h GLU 25 Cb 0.59 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 2zqe h GLU 25 CO 0.04 0.27 -0.24 0.93 -1.18 0.00 0.00 179.01 178.82 2zqe h GLU 26 N 0.42 0.96 -0.50 1.92 5.08 -0.92 -0.62 114.58 120.92 2zqe h GLU 26 Ca 0.13 -0.42 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 2zqe h GLU 26 Cb -0.02 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2zqe h GLU 26 CO -0.05 1.09 0.19 0.00 -1.00 0.00 0.00 179.01 179.24 2zqe h ALA 27 N 0.89 0.66 -0.30 3.43 0.00 -0.76 -0.50 119.26 122.67 2zqe h ALA 27 Ca 0.10 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2zqe h ALA 27 Cb 0.82 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2zqe h ALA 27 CO 0.07 0.28 -0.32 0.00 0.00 0.00 0.00 179.25 179.28 2zqe h ARG 28 N 0.68 0.65 -0.57 0.00 3.08 -1.18 -0.82 114.38 116.22 2zqe h ARG 28 Ca 0.17 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 2zqe h ARG 28 Cb 0.22 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 2zqe h ARG 28 CO -0.01 0.89 0.30 0.00 -1.07 0.00 0.00 179.97 180.07 2zqe h ALA 29 N 1.09 1.46 0.00 0.04 0.00 -0.69 -1.89 119.26 119.27 2zqe h ALA 29 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2zqe h ALA 29 Cb 0.82 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2zqe h ALA 29 CO 0.07 0.44 -0.20 -0.11 0.00 0.00 0.00 179.25 179.45 2zqe n LEU 30 N -4.38 0.29 -0.05 0.00 7.94 -0.23 -4.94 117.00 115.62 2zqe n LEU 30 Ca 0.05 0.33 -0.01 0.00 -1.11 0.00 0.00 56.01 55.28 2zqe n LEU 30 Cb 0.11 -0.38 -0.00 0.00 0.53 0.00 0.00 43.42 43.68 2zqe n LEU 30 CO 0.37 0.02 -0.01 0.61 -1.11 0.00 0.00 177.39 177.27 2zqe n GLY 31 N 1.47 0.36 3.82 -3.96 0.00 -0.71 -5.04 105.19 101.13 2zqe n GLY 31 Ca 0.06 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 2zqe n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2zqe s LEU 32 N -0.14 4.04 0.06 0.99 1.43 -0.36 -4.99 118.68 119.70 2zqe s LEU 32 Ca 0.00 1.58 0.20 0.00 -1.03 0.00 0.00 54.13 54.89 2zqe s LEU 32 Cb 0.00 -4.31 -0.15 0.00 0.03 0.00 0.00 46.19 41.76 2zqe s LEU 32 CO 0.00 -0.27 0.74 -1.54 0.23 0.00 0.00 176.35 175.52 2zqe n SER 33 N -0.37 0.56 -3.93 2.29 3.41 -1.26 -4.67 113.62 109.66 2zqe n SER 33 Ca 0.05 0.23 -0.10 0.00 -0.26 0.00 0.00 58.87 58.79 2zqe n SER 33 Cb 0.53 0.80 -0.11 0.00 -0.26 0.00 0.00 64.21 65.17 2zqe n SER 33 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2zqe s THR 34 N -3.19 0.09 -0.07 6.66 2.01 -1.26 -0.80 115.64 119.09 2zqe s THR 34 Ca -0.04 -0.73 -0.03 0.00 0.31 0.00 0.00 61.69 61.20 2zqe s THR 34 Cb 0.10 -0.31 0.04 0.00 0.01 0.00 0.00 72.50 72.34 2zqe s THR 34 CO 0.83 -0.40 0.15 -0.22 -0.69 0.00 0.00 174.62 174.29 2zqe s LEU 35 N -1.28 0.76 -0.20 4.42 2.96 -0.26 -4.47 118.68 120.62 2zqe s LEU 35 Ca -0.14 0.30 -0.11 0.00 -0.22 0.00 0.00 54.13 53.97 2zqe s LEU 35 Cb -0.08 0.38 -0.05 0.00 0.50 0.00 0.00 46.19 46.94 2zqe s LEU 35 CO 0.00 -0.14 0.17 -0.13 -1.32 0.00 0.00 176.35 174.93 2zqe s ARG 36 N 1.10 4.19 -0.42 1.98 0.52 0.02 -0.50 118.95 125.84 2zqe s ARG 36 Ca -0.09 -0.16 -0.08 0.00 -0.52 0.00 0.00 55.73 54.89 2zqe s ARG 36 Cb -0.11 -3.44 0.09 0.00 0.52 0.00 0.00 34.95 32.02 2zqe s ARG 36 CO -0.06 0.26 0.26 -0.51 0.02 0.00 0.00 175.30 175.27 2zqe s LEU 37 N 0.47 5.21 -0.67 2.53 1.43 0.35 -1.42 118.68 126.58 2zqe s LEU 37 Ca 0.10 -1.64 -0.23 0.00 -1.03 0.00 0.00 54.13 51.32 2zqe s LEU 37 Cb -0.12 -1.96 0.06 0.00 0.03 0.00 0.00 46.19 44.21 2zqe s LEU 37 CO -0.00 -0.56 1.01 -0.22 0.23 0.00 0.00 176.35 176.82 2zqe s LEU 38 N 1.37 4.20 -0.00 1.79 2.96 -0.22 -1.13 118.68 127.64 2zqe s LEU 38 Ca 0.04 -0.92 0.09 0.00 -0.22 0.00 0.00 54.13 53.13 2zqe s LEU 38 Cb -0.23 -2.44 -0.11 0.00 0.50 0.00 0.00 46.19 43.91 2zqe s LEU 38 CO 0.01 -1.50 0.37 0.00 -1.32 0.00 0.00 176.35 173.90 2zqe n HIS 39 N 7.96 0.00 -0.55 5.38 1.44 -0.40 0.01 115.22 129.05 2zqe n HIS 39 Ca -0.03 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.71 2zqe n HIS 39 Cb 0.46 -0.04 -0.01 0.00 0.12 0.00 0.00 29.99 30.52 2zqe n HIS 39 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2zqe n GLY 40 N 1.35 -2.19 0.00 -1.39 0.00 -0.12 -4.43 105.19 98.41 2zqe n GLY 40 Ca 0.01 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.56 2zqe n GLY 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2zqe n LYS 41 N -1.41 0.00 0.00 1.61 5.02 -1.26 -4.41 118.16 117.70 2zqe n LYS 41 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2zqe n LYS 41 Cb 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.11 2zqe n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2zqe n GLY 42 N 2.94 3.85 0.04 0.72 0.00 -1.26 -0.93 105.19 110.55 2zqe n GLY 42 Ca 0.00 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.17 2zqe n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2zqe n THR 43 N 0.00 0.39 -0.60 2.61 -2.24 -1.26 -4.90 114.28 108.28 2zqe n THR 43 Ca 0.00 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2zqe n THR 43 Cb 0.00 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 2zqe n THR 43 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2zqe n GLY 44 N 1.06 1.57 0.35 3.38 0.00 -0.10 -4.90 105.19 106.55 2zqe n GLY 44 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 2zqe n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zqe h ALA 45 N 0.00 1.19 -0.04 4.61 0.00 -1.91 -0.64 119.26 122.47 2zqe h ALA 45 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2zqe h ALA 45 Cb 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 2zqe h ALA 45 CO 0.00 0.57 0.01 -0.07 0.00 0.00 0.00 179.25 179.76 2zqe h LEU 46 N 1.26 0.05 -0.17 0.00 3.38 -1.90 -2.07 115.31 115.86 2zqe h LEU 46 Ca 0.34 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 58.12 2zqe h LEU 46 Cb -0.13 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 2zqe h LEU 46 CO -0.08 0.28 -0.13 -0.09 0.09 0.00 0.00 178.44 178.51 2zqe h ARG 47 N -0.18 -0.13 -0.34 1.13 2.43 -1.72 0.53 114.38 116.11 2zqe h ARG 47 Ca 0.01 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2zqe h ARG 47 Cb 0.25 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 2zqe h ARG 47 CO 0.00 -0.09 0.17 0.37 -1.51 0.00 0.00 179.97 178.91 2zqe h GLN 48 N -0.14 0.48 -0.52 0.20 4.15 -1.15 -0.63 115.11 117.50 2zqe h GLN 48 Ca 0.10 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.38 2zqe h GLN 48 Cb 0.29 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 2zqe h GLN 48 CO -0.25 0.42 0.01 0.00 -1.93 0.00 0.00 178.83 177.08 2zqe h ALA 49 N 1.03 0.69 -0.21 3.38 0.00 -1.12 -2.22 119.26 120.81 2zqe h ALA 49 Ca 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2zqe h ALA 49 Cb 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2zqe h ALA 49 CO -0.02 0.50 0.08 0.82 0.00 0.00 0.00 179.25 180.63 2zqe h ILE 50 N 0.77 1.17 -0.70 0.00 2.04 -0.78 -1.57 117.51 118.44 2zqe h ILE 50 Ca 0.15 -0.52 0.04 0.00 1.00 0.00 0.00 64.86 65.53 2zqe h ILE 50 Cb 0.51 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 2zqe h ILE 50 CO 0.02 0.17 0.43 0.03 0.00 0.00 0.00 178.15 178.80 2zqe h ARG 51 N 0.18 0.80 -0.60 2.37 3.08 -1.02 0.01 114.38 119.20 2zqe h ARG 51 Ca 0.07 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 2zqe h ARG 51 Cb 0.19 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2zqe h ARG 51 CO -0.01 0.53 0.06 1.49 -1.07 0.00 0.00 179.97 180.97 2zqe h GLU 52 N 0.82 1.02 -0.97 0.04 4.57 -1.29 -1.61 114.58 117.16 2zqe h GLU 52 Ca 0.29 -0.29 0.04 0.00 -1.18 0.00 0.00 59.36 58.22 2zqe h GLU 52 Cb 0.08 -0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 28.50 2zqe h GLU 52 CO -0.13 0.98 0.63 0.00 -1.18 0.00 0.00 179.01 179.30 2zqe h ALA 53 N 1.00 1.28 -0.34 2.92 0.00 -0.73 -2.68 119.26 120.72 2zqe h ALA 53 Ca 0.18 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 2zqe h ALA 53 Cb 0.48 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2zqe h ALA 53 CO 0.02 0.51 -0.22 -0.07 0.00 0.00 0.00 179.25 179.49 2zqe h LEU 54 N 1.22 0.67 -1.54 0.00 3.38 -0.54 -1.99 115.31 116.51 2zqe h LEU 54 Ca 0.39 -0.23 0.13 0.00 0.09 0.00 0.00 57.88 58.26 2zqe h LEU 54 Cb 0.01 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 2zqe h LEU 54 CO -0.12 0.88 0.49 0.03 0.09 0.00 0.00 178.44 179.80 2zqe h ARG 55 N 0.58 0.47 -0.01 1.13 3.08 -0.96 -2.25 114.38 116.42 2zqe h ARG 55 Ca 0.08 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2zqe h ARG 55 Cb 0.69 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2zqe h ARG 55 CO 0.05 0.31 -0.28 0.54 -1.07 0.00 0.00 179.97 179.52 2zqe n ARG 56 N -4.49 1.07 -3.27 0.04 1.74 -0.79 -4.90 116.66 106.05 2zqe n ARG 56 Ca 0.13 -0.72 -0.41 0.00 -0.77 0.00 0.00 57.85 56.09 2zqe n ARG 56 Cb 0.46 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.34 2zqe n ARG 56 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2zqe s ASP 57 N -2.43 6.30 0.00 0.55 -1.08 -0.85 -4.94 116.67 114.23 2zqe s ASP 57 Ca 0.24 0.02 0.13 0.00 -0.52 0.00 0.00 52.55 52.43 2zqe s ASP 57 Cb 0.19 -2.25 0.66 0.00 -1.46 0.00 0.00 42.92 40.05 2zqe s ASP 57 CO 0.51 -0.42 1.36 0.29 0.52 0.00 0.00 175.17 177.43 2zqe n LYS 58 N 5.64 0.16 0.00 4.34 5.02 -1.26 -1.84 118.16 130.22 2zqe n LYS 58 Ca -0.06 0.18 0.13 0.00 -2.02 0.00 0.00 58.31 56.55 2zqe n LYS 58 Cb 0.49 -1.50 0.50 0.00 -0.02 0.00 0.00 35.03 34.50 2zqe n LYS 58 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2zqe n ARG 59 N -1.32 0.21 -3.99 1.97 1.74 -1.26 -4.87 116.66 109.14 2zqe n ARG 59 Ca 0.06 -0.07 -0.35 0.00 -0.77 0.00 0.00 57.85 56.72 2zqe n ARG 59 Cb 0.11 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.95 2zqe n ARG 59 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2zqe s VAL 60 N -2.84 4.69 -0.16 1.55 1.01 -0.77 -1.50 120.40 122.38 2zqe s VAL 60 Ca 0.18 -0.07 -0.22 0.00 0.00 0.00 0.00 61.98 61.87 2zqe s VAL 60 Cb 0.19 -3.12 -0.19 0.00 0.00 0.00 0.00 36.38 33.25 2zqe s VAL 60 CO 0.57 0.44 0.43 -0.08 0.00 0.00 0.00 175.10 176.46 2zqe h GLU 61 N 6.93 0.00 -3.22 2.72 4.81 -0.95 -3.44 114.58 121.43 2zqe h GLU 61 Ca -0.37 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.86 2zqe h GLU 61 Cb 1.17 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.46 2zqe h GLU 61 CO 0.68 0.81 0.09 -1.54 -0.73 0.00 0.00 179.01 178.32 2zqe s SER 62 N -6.31 -0.30 0.10 1.04 1.04 -1.03 -5.01 113.70 103.22 2zqe s SER 62 Ca -0.20 -0.44 -0.12 0.00 0.48 0.00 0.00 55.95 55.67 2zqe s SER 62 Cb 0.01 0.61 0.02 0.00 0.10 0.00 0.00 66.02 66.75 2zqe s SER 62 CO 0.54 -1.09 0.29 0.72 0.98 0.00 0.00 173.24 174.68 2zqe s PHE 63 N -3.87 -0.03 0.04 5.02 -0.12 -1.26 -0.48 117.98 117.28 2zqe s PHE 63 Ca 0.09 -0.31 -0.27 0.00 -0.05 0.00 0.00 56.93 56.39 2zqe s PHE 63 Cb -0.02 0.09 0.08 0.00 -0.63 0.00 0.00 43.02 42.54 2zqe s PHE 63 CO -0.02 -0.60 0.72 0.00 -0.05 0.00 0.00 175.22 175.27 2zqe s ALA 64 N -3.63 -1.72 0.45 1.99 0.00 -0.76 -4.99 121.76 113.10 2zqe s ALA 64 Ca 0.03 0.92 -0.25 0.00 0.00 0.00 0.00 51.96 52.66 2zqe s ALA 64 Cb 0.03 0.41 -0.09 0.00 0.00 0.00 0.00 23.12 23.47 2zqe s ALA 64 CO -0.10 -0.60 1.30 -0.25 0.00 0.00 0.00 175.76 176.10 2zqe n ASP 65 N 0.09 2.62 -4.74 0.00 8.00 -1.26 -0.33 116.55 120.93 2zqe n ASP 65 Ca -0.15 1.08 -0.37 0.00 0.71 0.00 0.00 54.79 56.06 2zqe n ASP 65 Cb 0.62 -1.52 0.06 0.00 -0.02 0.00 0.00 41.12 40.25 2zqe n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2zqe s ALA 66 N -1.22 2.43 0.80 2.24 0.00 -0.20 -4.76 121.76 121.05 2zqe s ALA 66 Ca 0.63 1.19 -0.11 0.00 0.00 0.00 0.00 51.96 53.67 2zqe s ALA 66 Cb -0.48 -3.54 0.08 0.00 0.00 0.00 0.00 23.12 19.17 2zqe s ALA 66 CO 0.56 -1.51 1.10 -1.25 0.00 0.00 0.00 175.76 174.66 2zqe s PRO 67 N -3.34 1.99 0.23 0.00 0.04 -1.26 -3.32 135.00 129.34 2zqe s PRO 67 Ca 0.81 1.14 -0.32 0.00 0.04 0.00 0.00 61.00 62.68 2zqe s PRO 67 Cb -0.37 -1.87 -0.13 0.00 0.04 0.00 0.00 34.50 32.18 2zqe s PRO 67 CO 0.39 -1.82 1.51 -0.35 0.04 0.00 0.00 177.00 176.77 2zqe n PRO 68 N -3.64 2.26 0.00 0.56 -0.04 -1.26 -1.43 135.00 131.45 2zqe n PRO 68 Ca 0.09 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.36 2zqe n PRO 68 Cb 0.53 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 2zqe n PRO 68 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2zqe n GLY 69 N 2.57 1.49 0.24 0.55 0.00 -1.26 -4.85 105.19 103.93 2zqe n GLY 69 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.23 2zqe n GLY 69 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2zqe n GLU 70 N -2.00 1.20 0.00 1.61 1.02 -0.51 -4.95 120.64 117.00 2zqe n GLU 70 Ca 0.00 -2.57 0.00 0.00 -0.02 0.00 0.00 57.16 54.57 2zqe n GLU 70 Cb 0.00 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 2zqe n GLU 70 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2zqe n GLY 71 N -1.21 2.05 7.00 0.62 0.00 -1.23 -4.72 105.19 107.71 2zqe n GLY 71 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2zqe n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zqe n GLY 72 N -0.03 2.22 0.00 -0.02 0.00 -0.99 -1.47 105.19 104.89 2zqe n GLY 72 Ca 0.00 -0.38 0.08 0.00 0.00 0.00 0.00 46.02 45.73 2zqe n GLY 72 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2zqe n HIS 73 N 11.84 0.00 1.24 1.61 8.25 -1.26 -2.08 115.22 134.83 2zqe n HIS 73 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 2zqe n HIS 73 Cb 0.00 0.00 0.45 0.00 1.12 0.00 0.00 29.99 31.56 2zqe n HIS 73 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2zqe n GLY 74 N 0.19 -0.89 2.96 -1.41 0.00 -0.54 -4.69 105.19 100.81 2zqe n GLY 74 Ca 0.13 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 2zqe n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2zqe s VAL 75 N -2.61 0.78 -0.24 1.61 1.01 -0.88 -0.94 120.40 119.13 2zqe s VAL 75 Ca 0.23 -0.29 -0.09 0.00 0.00 0.00 0.00 61.98 61.83 2zqe s VAL 75 Cb 0.19 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 2zqe s VAL 75 CO 0.54 0.27 0.12 -0.89 0.00 0.00 0.00 175.10 175.13 2zqe s THR 76 N 0.65 4.92 -0.28 3.92 2.01 -0.29 -1.04 115.64 125.53 2zqe s THR 76 Ca -0.11 0.03 -0.12 0.00 0.31 0.00 0.00 61.69 61.80 2zqe s THR 76 Cb -0.13 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 2zqe s THR 76 CO 0.01 0.35 0.26 -0.69 -0.69 0.00 0.00 174.62 173.86 2zqe s VAL 77 N 1.20 5.26 -0.20 3.82 1.01 0.55 -0.49 120.40 131.54 2zqe s VAL 77 Ca 0.06 0.31 -0.06 0.00 0.00 0.00 0.00 61.98 62.29 2zqe s VAL 77 Cb -0.14 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 2zqe s VAL 77 CO 0.05 0.21 0.02 -0.69 0.00 0.00 0.00 175.10 174.68 2zqe s VAL 78 N 1.87 4.17 -0.24 2.92 1.01 0.34 -1.82 120.40 128.66 2zqe s VAL 78 Ca 0.10 -0.24 -0.19 0.00 0.00 0.00 0.00 61.98 61.65 2zqe s VAL 78 Cb -0.16 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 2zqe s VAL 78 CO 0.11 0.43 0.55 0.00 0.00 0.00 0.00 175.10 176.19 2zqe s ALA 79 N 0.89 3.58 0.21 5.51 0.00 0.37 -1.10 121.76 131.22 2zqe s ALA 79 Ca 0.02 -0.47 -0.12 0.00 0.00 0.00 0.00 51.96 51.38 2zqe s ALA 79 Cb -0.14 -2.91 -0.07 0.00 0.00 0.00 0.00 23.12 20.00 2zqe s ALA 79 CO 0.02 -0.65 0.58 -0.51 0.00 0.00 0.00 175.76 175.20 2zqe s LEU 80 N 2.12 4.22 0.30 0.00 1.43 0.02 -0.37 118.68 126.40 2zqe s LEU 80 Ca 0.24 1.04 -0.29 0.00 -1.03 0.00 0.00 54.13 54.09 2zqe s LEU 80 Cb -0.16 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.37 2zqe s LEU 80 CO 0.09 -0.03 1.26 -0.13 0.23 0.00 0.00 176.35 177.78 2zqe s ARG 81 N -2.51 4.42 0.00 1.70 0.52 -0.57 -4.58 118.95 117.93 2zqe s ARG 81 Ca 0.45 2.11 0.15 0.00 -0.52 0.00 0.00 55.73 57.91 2zqe s ARG 81 Cb -0.13 -3.11 0.88 0.00 0.52 0.00 0.00 34.95 33.11 2zqe s ARG 81 CO 0.20 -0.11 1.30 -0.35 0.02 0.00 0.00 175.30 176.35