#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qe6 n ALA 2 N 0.00 -2.47 -0.31 7.33 0.00 -1.26 -4.14 120.51 119.66 1qe6 n ALA 2 Ca 0.00 0.26 0.09 0.00 0.00 0.00 0.00 53.44 53.80 1qe6 n ALA 2 Cb 0.00 -1.03 0.21 0.00 0.00 0.00 0.00 19.45 18.63 1qe6 n ALA 2 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1qe6 h LYS 3 N 2.00 0.05 0.00 0.00 1.63 -2.07 0.42 116.57 118.60 1qe6 h LYS 3 Ca 0.00 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1qe6 h LYS 3 Cb 0.00 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1qe6 h LYS 3 CO 0.00 0.03 -0.15 0.93 -3.45 0.00 0.00 179.45 176.81 1qe6 h GLU 4 N 0.05 0.00 -5.73 1.90 3.07 -2.04 -3.41 114.58 108.42 1qe6 h GLU 4 Ca 0.50 0.00 -0.63 0.00 -0.50 0.00 0.00 59.36 58.73 1qe6 h GLU 4 Cb 0.93 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.72 1qe6 h GLU 4 CO -0.83 0.15 1.22 0.00 -1.40 0.00 0.00 179.01 178.15 1qe6 n ARG 6 N 8.07 0.00 -1.95 0.00 1.85 -1.22 -4.73 116.66 118.68 1qe6 n ARG 6 Ca 0.27 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.71 1qe6 n ARG 6 Cb 0.50 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.89 1qe6 n ARG 6 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1qe6 n GLN 8 N 1.56 1.01 -4.91 0.00 1.13 -1.26 -4.83 117.38 110.09 1qe6 n GLN 8 Ca 0.04 -0.47 -0.28 0.00 -1.94 0.00 0.00 57.00 54.36 1qe6 n GLN 8 Cb 0.40 -1.49 -0.16 0.00 0.11 0.00 0.00 30.24 29.09 1qe6 n GLN 8 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1qe6 h ILE 10 N 5.55 1.52 -4.05 0.00 2.04 -2.03 -3.48 117.51 117.06 1qe6 h ILE 10 Ca -0.29 -2.18 -0.17 0.00 1.00 0.00 0.00 64.86 63.23 1qe6 h ILE 10 Cb 1.19 2.90 -0.19 0.00 -0.74 0.00 0.00 36.82 39.99 1qe6 h ILE 10 CO 0.47 0.51 -0.70 -1.59 0.00 0.00 0.00 178.15 176.85 1qe6 s LYS 11 N -2.16 0.48 0.63 2.37 0.00 -1.26 -5.16 119.74 114.64 1qe6 s LYS 11 Ca -0.18 -0.89 -0.08 0.00 0.00 0.00 0.00 55.97 54.82 1qe6 s LYS 11 Cb -0.02 0.06 0.01 0.00 0.00 0.00 0.00 37.83 37.88 1qe6 s LYS 11 CO 0.60 -0.05 0.97 0.99 0.00 0.00 0.00 175.35 177.86 1qe6 s THR 12 N -2.43 3.66 -0.14 3.79 2.01 -1.26 -4.71 115.64 116.56 1qe6 s THR 12 Ca -0.05 0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.18 1qe6 s THR 12 Cb -0.03 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 69.00 1qe6 s THR 12 CO -0.04 -0.56 -0.20 -0.47 -0.69 0.00 0.00 174.62 172.66 1qe6 s TYR 13 N -3.13 2.69 0.00 4.92 5.04 0.55 -4.97 117.35 122.45 1qe6 s TYR 13 Ca 0.55 -1.17 0.00 0.00 -2.44 0.00 0.00 57.07 54.01 1qe6 s TYR 13 Cb -0.11 -1.82 0.00 0.00 0.35 0.00 0.00 41.96 40.39 1qe6 s TYR 13 CO 0.48 -0.52 0.53 -1.13 -1.34 0.00 0.00 175.55 173.57 1qe6 n SER 14 N 3.93 0.90 -4.82 4.32 3.41 -1.26 -4.64 113.62 115.46 1qe6 n SER 14 Ca -0.19 -1.27 -0.32 0.00 -0.26 0.00 0.00 58.87 56.82 1qe6 n SER 14 Cb 0.52 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.46 1qe6 n SER 14 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1qe6 s LYS 15 N -0.27 3.57 0.38 4.33 1.02 -1.26 -5.01 119.74 122.51 1qe6 s LYS 15 Ca 0.00 1.10 -0.26 0.00 0.02 0.00 0.00 55.97 56.83 1qe6 s LYS 15 Cb 0.00 -2.07 -0.09 0.00 -0.52 0.00 0.00 37.83 35.15 1qe6 s LYS 15 CO 0.00 -0.60 1.18 -2.14 -0.92 0.00 0.00 175.35 172.88 1qe6 s PRO 16 N -4.09 4.13 0.20 -1.68 0.02 -1.26 -5.05 135.00 127.26 1qe6 s PRO 16 Ca 0.62 1.89 -0.10 0.00 0.02 0.00 0.00 61.00 63.43 1qe6 s PRO 16 Cb -0.14 -2.76 -0.01 0.00 0.02 0.00 0.00 34.50 31.62 1qe6 s PRO 16 CO 0.35 -0.27 0.34 -0.59 -0.33 0.00 0.00 177.00 176.50 1qe6 s PHE 17 N -1.36 0.44 -0.56 6.54 -0.71 -1.26 -5.12 117.98 115.95 1qe6 s PHE 17 Ca 0.55 -0.78 -0.22 0.00 -1.04 0.00 0.00 56.93 55.44 1qe6 s PHE 17 Cb -0.32 -0.01 0.06 0.00 -1.21 0.00 0.00 43.02 41.54 1qe6 s PHE 17 CO 0.41 -0.81 0.81 -1.01 -1.34 0.00 0.00 175.22 173.28 1qe6 s HIS 18 N -4.00 2.88 0.55 3.49 3.76 -1.26 -4.94 115.29 115.77 1qe6 s HIS 18 Ca 0.21 -0.39 0.34 0.00 -0.15 0.00 0.00 55.06 55.07 1qe6 s HIS 18 Cb 0.02 -3.92 1.84 0.00 1.11 0.00 0.00 32.58 31.64 1qe6 s HIS 18 CO 0.04 -1.29 2.03 -1.35 -0.85 0.00 0.00 174.74 173.32 1qe6 h PRO 19 N 9.23 0.00 0.00 8.40 0.11 -2.00 -2.26 132.00 145.48 1qe6 h PRO 19 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1qe6 h PRO 19 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1qe6 h PRO 19 CO 1.06 0.00 0.00 1.57 -0.21 0.00 0.00 178.00 180.42 1qe6 h LYS 20 N 0.00 0.00 -0.11 1.05 2.10 -2.01 -2.39 116.57 115.21 1qe6 h LYS 20 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1qe6 h LYS 20 Cb 0.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 1qe6 h LYS 20 CO 0.00 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 178.64 1qe6 n PHE 21 N -2.33 0.13 -2.32 0.07 3.72 -0.85 -4.86 117.46 111.03 1qe6 n PHE 21 Ca 0.02 -0.07 -0.42 0.00 -0.05 0.00 0.00 57.45 56.93 1qe6 n PHE 21 Cb 0.23 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.75 1qe6 n PHE 21 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1qe6 s ILE 22 N -1.87 4.02 -0.08 4.37 1.01 -0.90 0.26 121.20 128.02 1qe6 s ILE 22 Ca 0.34 1.31 0.07 0.00 0.00 0.00 0.00 60.65 62.38 1qe6 s ILE 22 Cb 0.19 -3.84 -0.11 0.00 0.01 0.00 0.00 42.46 38.71 1qe6 s ILE 22 CO 0.29 -0.06 0.19 2.29 0.00 0.00 0.00 174.94 177.65 1qe6 n LYS 23 N 6.08 1.13 -3.79 2.79 2.85 -0.50 -4.89 118.16 121.83 1qe6 n LYS 23 Ca 0.14 -0.05 -0.13 0.00 -1.05 0.00 0.00 58.31 57.22 1qe6 n LYS 23 Cb 0.44 -1.11 -0.11 0.00 -0.65 0.00 0.00 35.03 33.61 1qe6 n LYS 23 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1qe6 s GLU 24 N -2.34 0.37 -0.01 -1.58 2.12 -1.19 -5.01 118.70 111.05 1qe6 s GLU 24 Ca -0.02 0.20 0.05 0.00 0.36 0.00 0.00 54.97 55.57 1qe6 s GLU 24 Cb 0.05 0.17 -0.01 0.00 0.26 0.00 0.00 34.13 34.60 1qe6 s GLU 24 CO 0.30 -0.06 -0.17 -1.17 -0.54 0.00 0.00 175.26 173.62 1qe6 s LEU 25 N -0.22 2.03 -0.05 2.70 2.96 -1.26 -1.18 118.68 123.65 1qe6 s LEU 25 Ca -0.03 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1qe6 s LEU 25 Cb -0.03 -0.86 0.02 0.00 0.50 0.00 0.00 46.19 45.83 1qe6 s LEU 25 CO 0.01 0.20 -0.05 -0.60 -1.32 0.00 0.00 176.35 174.59 1qe6 s ARG 26 N -0.38 0.94 -0.16 1.98 3.52 -0.40 -5.02 118.95 119.43 1qe6 s ARG 26 Ca 0.06 -0.13 0.00 0.00 -0.13 0.00 0.00 55.73 55.54 1qe6 s ARG 26 Cb -0.06 -0.96 0.03 0.00 -1.56 0.00 0.00 34.95 32.40 1qe6 s ARG 26 CO -0.01 -0.10 -0.11 0.08 -0.81 0.00 0.00 175.30 174.35 1qe6 s VAL 27 N 1.03 1.47 -0.29 7.11 1.01 -1.26 -1.09 120.40 128.37 1qe6 s VAL 27 Ca -0.09 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 1qe6 s VAL 27 Cb -0.14 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.81 1qe6 s VAL 27 CO -0.00 0.32 0.01 -0.63 0.00 0.00 0.00 175.10 174.79 1qe6 s ILE 28 N 1.51 3.13 0.59 2.22 1.01 -0.32 -4.99 121.20 124.34 1qe6 s ILE 28 Ca 0.03 -1.23 -0.18 0.00 0.00 0.00 0.00 60.65 59.26 1qe6 s ILE 28 Cb -0.14 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 1qe6 s ILE 28 CO -0.09 -0.04 1.16 -0.70 0.00 0.00 0.00 174.94 175.27 1qe6 s GLU 29 N 1.30 3.06 0.83 2.79 2.12 -1.26 -0.82 118.70 126.71 1qe6 s GLU 29 Ca -0.03 1.68 -0.12 0.00 0.36 0.00 0.00 54.97 56.86 1qe6 s GLU 29 Cb -0.19 -1.96 0.09 0.00 0.26 0.00 0.00 34.13 32.34 1qe6 s GLU 29 CO -0.01 -1.10 1.15 -1.54 -0.54 0.00 0.00 175.26 173.22 1qe6 s SER 30 N -1.82 3.66 0.00 -1.70 1.04 -1.26 -4.80 113.70 108.82 1qe6 s SER 30 Ca 0.74 2.15 0.00 0.00 0.48 0.00 0.00 55.95 59.32 1qe6 s SER 30 Cb -0.26 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.29 1qe6 s SER 30 CO 0.32 -2.61 0.00 0.61 0.98 0.00 0.00 173.24 172.54 1qe6 n GLY 31 N -0.08 -0.71 0.20 7.32 0.00 0.34 -4.96 105.19 107.31 1qe6 n GLY 31 Ca 0.12 -0.42 0.14 0.00 0.00 0.00 0.00 46.02 45.86 1qe6 n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qe6 h PRO 32 N 0.00 0.00 0.00 1.61 0.13 -2.00 -2.96 132.00 128.78 1qe6 h PRO 32 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1qe6 h PRO 32 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1qe6 h PRO 32 CO 0.00 0.00 -1.66 0.00 -0.23 0.00 0.00 178.00 176.11 1qe6 h ALA 35 N 7.53 1.56 -3.18 0.00 0.00 -1.93 0.99 119.26 124.23 1qe6 h ALA 35 Ca -0.24 -0.05 -0.65 0.00 0.00 0.00 0.00 54.91 53.97 1qe6 h ALA 35 Cb 1.16 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.77 1qe6 h ALA 35 CO 0.14 0.06 -0.79 -0.80 0.00 0.00 0.00 179.25 177.87 1qe6 s ASN 36 N -6.40 3.74 0.36 0.00 0.02 -1.26 -4.72 114.94 106.68 1qe6 s ASN 36 Ca -0.04 -0.75 -0.26 0.00 -1.02 0.00 0.00 52.86 50.79 1qe6 s ASN 36 Cb 0.15 -0.43 -0.09 0.00 0.02 0.00 0.00 41.25 40.90 1qe6 s ASN 36 CO 0.59 0.12 1.05 -0.89 0.02 0.00 0.00 177.10 177.99 1qe6 s THR 37 N -1.63 3.71 0.02 1.60 2.01 -1.26 -4.04 115.64 116.05 1qe6 s THR 37 Ca 0.22 1.43 0.08 0.00 0.31 0.00 0.00 61.69 63.72 1qe6 s THR 37 Cb -0.08 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 1qe6 s THR 37 CO 0.12 0.12 -0.22 -1.61 -0.69 0.00 0.00 174.62 172.33 1qe6 s GLU 38 N -2.16 1.62 -0.15 4.92 2.02 -0.00 -4.72 118.70 120.23 1qe6 s GLU 38 Ca 0.53 -0.92 -0.00 0.00 0.02 0.00 0.00 54.97 54.60 1qe6 s GLU 38 Cb -0.24 -1.69 0.03 0.00 0.10 0.00 0.00 34.13 32.33 1qe6 s GLU 38 CO 0.31 0.44 -0.10 0.42 0.02 0.00 0.00 175.26 176.36 1qe6 s ILE 39 N -0.69 1.30 -0.16 -1.63 1.01 -1.25 -1.18 121.20 118.59 1qe6 s ILE 39 Ca 0.09 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.20 1qe6 s ILE 39 Cb -0.09 -1.32 0.01 0.00 0.01 0.00 0.00 42.46 41.08 1qe6 s ILE 39 CO 0.01 0.33 -0.20 -0.63 0.00 0.00 0.00 174.94 174.44 1qe6 s ILE 40 N 1.58 2.10 -0.07 2.92 1.01 -0.25 -0.44 121.20 128.06 1qe6 s ILE 40 Ca 0.03 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 59.74 1qe6 s ILE 40 Cb -0.14 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 1qe6 s ILE 40 CO -0.09 0.54 -0.02 0.68 0.00 0.00 0.00 174.94 176.05 1qe6 s VAL 41 N 1.10 4.07 -0.27 2.92 -7.23 0.27 -1.28 120.40 119.98 1qe6 s VAL 41 Ca 0.00 -0.37 -0.09 0.00 -1.81 0.00 0.00 61.98 59.72 1qe6 s VAL 41 Cb -0.14 -2.71 -0.03 0.00 0.56 0.00 0.00 36.38 34.06 1qe6 s VAL 41 CO -0.08 0.58 0.12 -0.75 -0.31 0.00 0.00 175.10 174.66 1qe6 s LYS 42 N -0.92 3.67 0.42 4.82 2.20 -0.32 -0.11 119.74 129.49 1qe6 s LYS 42 Ca 0.14 -0.49 -0.12 0.00 -0.36 0.00 0.00 55.97 55.14 1qe6 s LYS 42 Cb -0.11 -3.46 -0.07 0.00 -1.51 0.00 0.00 37.83 32.67 1qe6 s LYS 42 CO 0.03 -0.23 0.81 -0.51 -0.36 0.00 0.00 175.35 175.08 1qe6 s LEU 43 N 1.65 3.82 0.00 5.43 1.43 0.32 -1.42 118.68 129.92 1qe6 s LEU 43 Ca 0.06 1.24 0.00 0.00 -1.03 0.00 0.00 54.13 54.40 1qe6 s LEU 43 Cb -0.16 -4.12 0.00 0.00 0.03 0.00 0.00 46.19 41.94 1qe6 s LEU 43 CO 0.06 -0.41 0.14 -0.24 0.23 0.00 0.00 176.35 176.13 1qe6 n SER 44 N -1.24 0.00 -0.10 2.29 2.88 0.73 -0.66 113.62 117.52 1qe6 n SER 44 Ca 0.03 0.14 -0.06 0.00 -1.33 0.00 0.00 58.87 57.65 1qe6 n SER 44 Cb 0.54 -0.04 -0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1qe6 n SER 44 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 1qe6 h ASP 45 N 0.00 -0.77 0.00 -3.46 3.04 -1.94 -3.46 116.42 109.83 1qe6 h ASP 45 Ca 0.00 0.16 0.00 0.00 -3.24 0.00 0.00 57.03 53.95 1qe6 h ASP 45 Cb 0.00 0.39 0.00 0.00 -1.04 0.00 0.00 39.33 38.68 1qe6 h ASP 45 CO 0.00 -0.26 0.00 0.61 -2.04 0.00 0.00 179.24 177.55 1qe6 n GLY 46 N -1.39 0.07 3.58 7.15 0.00 0.17 -5.15 105.19 109.62 1qe6 n GLY 46 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1qe6 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qe6 n ARG 47 N 0.00 1.21 -4.08 1.61 1.74 -1.25 -4.48 116.66 111.42 1qe6 n ARG 47 Ca 0.00 0.43 -0.33 0.00 -0.77 0.00 0.00 57.85 57.18 1qe6 n ARG 47 Cb 0.00 -1.88 -0.16 0.00 -1.02 0.00 0.00 32.46 29.40 1qe6 n ARG 47 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1qe6 s GLU 48 N -1.79 2.98 -0.07 5.56 2.02 -1.26 0.12 118.70 126.25 1qe6 s GLU 48 Ca 0.62 -0.85 0.02 0.00 0.02 0.00 0.00 54.97 54.78 1qe6 s GLU 48 Cb -0.61 -2.68 -0.02 0.00 0.10 0.00 0.00 34.13 30.92 1qe6 s GLU 48 CO 0.58 -0.25 -0.12 -0.51 0.02 0.00 0.00 175.26 174.98 1qe6 s LEU 49 N 1.30 2.83 -0.22 1.80 1.43 0.84 -4.92 118.68 121.75 1qe6 s LEU 49 Ca 0.04 -0.18 -0.15 0.00 -1.03 0.00 0.00 54.13 52.81 1qe6 s LEU 49 Cb -0.14 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 1qe6 s LEU 49 CO -0.11 0.31 0.37 0.00 0.23 0.00 0.00 176.35 177.16 1qe6 s LEU 51 N 1.47 3.16 -0.48 0.00 1.43 0.42 -0.33 118.68 124.35 1qe6 s LEU 51 Ca 0.17 -0.48 -0.27 0.00 -1.03 0.00 0.00 54.13 52.52 1qe6 s LEU 51 Cb -0.15 -1.83 0.03 0.00 0.03 0.00 0.00 46.19 44.27 1qe6 s LEU 51 CO 0.08 0.10 1.05 -0.62 0.23 0.00 0.00 176.35 177.18 1qe6 s ASP 52 N -2.89 6.56 0.39 2.29 -1.08 -1.26 -3.82 116.67 116.86 1qe6 s ASP 52 Ca 0.26 0.28 0.27 0.00 -0.52 0.00 0.00 52.55 52.84 1qe6 s ASP 52 Cb -0.09 -2.51 1.44 0.00 -1.46 0.00 0.00 42.92 40.30 1qe6 s ASP 52 CO 0.17 -1.18 1.81 1.55 0.52 0.00 0.00 175.17 178.05 1qe6 h PRO 53 N 9.19 0.00 0.00 4.34 0.13 -1.94 -2.04 132.00 141.68 1qe6 h PRO 53 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1qe6 h PRO 53 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1qe6 h PRO 53 CO 1.09 0.00 -0.62 0.87 -0.23 0.00 0.00 178.00 179.11 1qe6 h LYS 54 N 0.00 0.00 -6.48 0.86 1.79 -1.95 -3.44 116.57 107.34 1qe6 h LYS 54 Ca 0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 1qe6 h LYS 54 Cb 0.01 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 1qe6 h LYS 54 CO 0.00 0.00 0.45 -1.21 -1.08 0.00 0.00 179.45 177.61 1qe6 s GLU 55 N -3.18 4.54 0.20 3.15 0.41 -0.77 -4.96 118.70 118.09 1qe6 s GLU 55 Ca 0.06 1.58 -0.10 0.00 -0.41 0.00 0.00 54.97 56.10 1qe6 s GLU 55 Cb 0.13 -3.39 0.14 0.00 -1.78 0.00 0.00 34.13 29.23 1qe6 s GLU 55 CO 0.72 -0.08 1.85 -0.91 -0.49 0.00 0.00 175.26 176.35 1qe6 h ASN 56 N 6.45 0.87 0.11 -0.19 -0.26 -1.89 -2.26 115.58 118.41 1qe6 h ASN 56 Ca -0.42 -0.06 -0.04 0.00 -0.56 0.00 0.00 56.30 55.22 1qe6 h ASN 56 Cb 1.22 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 38.25 1qe6 h ASN 56 CO 0.76 0.68 -0.16 4.11 -1.06 0.00 0.00 177.43 181.76 1qe6 h TRP 57 N 1.00 0.12 -0.37 1.19 5.08 -1.95 -1.93 115.95 119.09 1qe6 h TRP 57 Ca 0.26 -0.01 -0.17 0.00 1.08 0.00 0.00 58.89 60.05 1qe6 h TRP 57 Cb -0.04 -0.03 -0.00 0.00 -3.00 0.00 0.00 29.16 26.08 1qe6 h TRP 57 CO -0.01 0.28 -0.42 0.28 -1.28 0.00 0.00 178.44 177.29 1qe6 h VAL 58 N 0.11 1.27 -0.46 0.12 2.07 -1.73 -1.63 116.25 116.00 1qe6 h VAL 58 Ca 0.02 -1.59 -0.05 0.00 0.82 0.00 0.00 66.70 65.90 1qe6 h VAL 58 Cb 0.36 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1qe6 h VAL 58 CO 0.02 0.53 0.08 1.56 0.02 0.00 0.00 177.57 179.78 1qe6 h GLN 59 N 0.75 0.70 -0.25 1.57 4.20 -0.86 -0.57 115.11 120.65 1qe6 h GLN 59 Ca 0.05 -0.15 -0.18 0.00 0.06 0.00 0.00 58.65 58.44 1qe6 h GLN 59 Cb 1.02 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1qe6 h GLN 59 CO 0.10 0.67 -0.53 0.00 -0.67 0.00 0.00 178.83 178.39 1qe6 h ARG 60 N 0.68 0.81 -0.74 1.46 3.08 -1.20 -1.74 114.38 116.73 1qe6 h ARG 60 Ca 0.15 -0.53 -0.05 0.00 0.07 0.00 0.00 59.98 59.62 1qe6 h ARG 60 Cb 0.31 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 1qe6 h ARG 60 CO 0.00 1.16 0.26 0.28 -1.07 0.00 0.00 179.97 180.61 1qe6 h VAL 61 N 0.56 1.26 -0.39 2.04 2.07 -0.89 -0.89 116.25 120.00 1qe6 h VAL 61 Ca 0.00 -0.85 -0.14 0.00 0.82 0.00 0.00 66.70 66.53 1qe6 h VAL 61 Cb 1.14 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1qe6 h VAL 61 CO 0.12 0.34 -0.32 0.58 0.02 0.00 0.00 177.57 178.30 1qe6 h VAL 62 N 1.08 1.27 -0.35 2.57 2.07 -1.09 -2.47 116.25 119.33 1qe6 h VAL 62 Ca 0.24 -1.49 -0.05 0.00 0.82 0.00 0.00 66.70 66.22 1qe6 h VAL 62 Cb 0.26 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1qe6 h VAL 62 CO -0.01 0.50 0.02 -0.08 0.02 0.00 0.00 177.57 178.01 1qe6 h GLU 63 N 0.74 0.61 -0.64 1.57 4.57 -1.05 -1.99 114.58 118.39 1qe6 h GLU 63 Ca 0.08 -0.19 -0.07 0.00 -1.18 0.00 0.00 59.36 58.00 1qe6 h GLU 63 Cb 0.89 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.39 1qe6 h GLU 63 CO 0.08 0.71 0.11 0.87 -1.18 0.00 0.00 179.01 179.60 1qe6 h LYS 64 N 0.43 1.05 -0.47 1.92 1.57 -1.14 -2.25 116.57 117.69 1qe6 h LYS 64 Ca 0.10 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 1qe6 h LYS 64 Cb 0.42 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1qe6 h LYS 64 CO 0.01 0.97 0.04 0.35 -0.57 0.00 0.00 179.45 180.26 1qe6 h PHE 65 N 0.96 0.86 -0.78 -1.35 3.57 -1.40 -2.48 116.94 116.31 1qe6 h PHE 65 Ca 0.19 -0.13 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1qe6 h PHE 65 Cb 0.43 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 1qe6 h PHE 65 CO 0.03 0.81 0.51 1.25 -2.23 0.00 0.00 178.31 178.68 1qe6 h LEU 66 N 0.66 0.87 -0.63 0.59 7.12 -1.18 0.49 115.31 123.21 1qe6 h LEU 66 Ca 0.14 -0.02 -0.14 0.00 0.13 0.00 0.00 57.88 58.00 1qe6 h LEU 66 Cb 0.44 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.35 1qe6 h LEU 66 CO 0.02 0.62 -0.40 0.11 -0.13 0.00 0.00 178.44 178.65 1qe6 h LYS 67 N 1.02 0.62 -0.27 1.25 1.79 -1.35 -1.68 116.57 117.95 1qe6 h LYS 67 Ca 0.30 -0.32 -0.09 0.00 -2.18 0.00 0.00 60.65 58.36 1qe6 h LYS 67 Cb -0.07 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.58 1qe6 h LYS 67 CO -0.08 0.91 -0.18 -0.09 -1.08 0.00 0.00 179.45 178.94 1qe6 h ARG 68 N 0.51 0.60 -0.49 3.15 2.43 -1.06 -2.69 114.38 116.83 1qe6 h ARG 68 Ca 0.04 -0.28 -0.03 0.00 -0.81 0.00 0.00 59.98 58.90 1qe6 h ARG 68 Cb 0.92 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 1qe6 h ARG 68 CO 0.08 0.87 0.17 0.00 -1.51 0.00 0.00 179.97 179.57 1qe6 h ALA 69 N 0.72 1.37 0.00 2.80 0.00 -0.86 -1.36 119.26 121.93 1qe6 h ALA 69 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1qe6 h ALA 69 Cb 0.71 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1qe6 h ALA 69 CO 0.05 0.46 0.00 0.39 0.00 0.00 0.00 179.25 180.15 1qe6 n GLU 70 N -4.33 0.07 0.00 0.00 1.02 -0.64 -2.49 120.64 114.27 1qe6 n GLU 70 Ca 0.04 0.26 0.11 0.00 -0.02 0.00 0.00 57.16 57.55 1qe6 n GLU 70 Cb 0.18 -1.62 0.07 0.00 -0.02 0.00 0.00 31.44 30.05 1qe6 n GLU 70 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1qe6 n ASN 71 N -1.74 2.67 -0.56 1.62 4.13 -0.53 -5.08 115.26 115.77 1qe6 n ASN 71 Ca 0.04 -1.83 0.07 0.00 1.68 0.00 0.00 54.58 54.53 1qe6 n ASN 71 Cb 0.23 0.13 0.06 0.00 -1.54 0.00 0.00 39.78 38.66 1qe6 n ASN 71 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34