#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bq0 n LYS 2 N 0.00 -3.54 -2.96 0.00 5.02 -1.26 -4.85 118.16 110.57 1bq0 n LYS 2 Ca 0.00 2.67 -0.42 0.00 -2.02 0.00 0.00 58.31 58.55 1bq0 n LYS 2 Cb 0.00 -3.56 -0.05 0.00 -0.02 0.00 0.00 35.03 31.40 1bq0 n LYS 2 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1bq0 s GLN 3 N -0.43 3.95 0.96 1.97 1.11 -1.26 -5.03 119.66 120.93 1bq0 s GLN 3 Ca -0.12 0.55 -0.18 0.00 0.01 0.00 0.00 55.36 55.63 1bq0 s GLN 3 Cb 0.01 -3.73 0.00 0.00 -1.01 0.00 0.00 33.01 28.28 1bq0 s GLN 3 CO 0.32 -0.67 -0.45 -3.47 0.01 0.00 0.00 175.29 171.03 1bq0 n ASP 4 N 6.17 -2.68 -1.09 5.90 -0.08 -1.26 -4.88 116.55 118.63 1bq0 n ASP 4 Ca 0.03 -0.13 0.09 0.00 -1.51 0.00 0.00 54.79 53.27 1bq0 n ASP 4 Cb 0.48 -0.68 0.26 0.00 2.34 0.00 0.00 41.12 43.52 1bq0 n ASP 4 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1bq0 n TYR 5 N -3.90 0.83 0.04 -0.67 4.01 -1.26 -4.15 117.16 112.05 1bq0 n TYR 5 Ca 0.01 -0.52 -0.10 0.00 -0.16 0.00 0.00 57.90 57.13 1bq0 n TYR 5 Cb 0.51 -0.04 -0.13 0.00 -0.31 0.00 0.00 39.34 39.37 1bq0 n TYR 5 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1bq0 h TYR 6 N 3.34 0.10 0.00 -0.72 5.03 -1.89 -3.26 116.97 119.56 1bq0 h TYR 6 Ca 0.00 -0.07 -0.06 0.00 2.58 0.00 0.00 58.73 61.18 1bq0 h TYR 6 Cb 0.95 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.21 1bq0 h TYR 6 CO 0.42 1.08 -0.90 0.93 -1.32 0.00 0.00 178.16 178.36 1bq0 h GLU 7 N 0.01 0.00 -0.87 1.82 5.08 -1.75 -3.25 114.58 115.62 1bq0 h GLU 7 Ca -0.14 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.38 1bq0 h GLU 7 Cb 1.90 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 31.08 1bq0 h GLU 7 CO 0.12 0.15 0.57 0.82 -1.00 0.00 0.00 179.01 179.67 1bq0 h ILE 8 N 0.00 0.78 -0.19 3.13 5.03 -1.72 0.39 117.51 124.93 1bq0 h ILE 8 Ca -0.05 -0.20 -0.03 0.00 -0.12 0.00 0.00 64.86 64.47 1bq0 h ILE 8 Cb 1.22 0.16 -0.02 0.00 -3.03 0.00 0.00 36.82 35.15 1bq0 h ILE 8 CO 0.02 0.10 0.04 0.18 -0.68 0.00 0.00 178.15 177.81 1bq0 n LEU 9 N -4.54 2.74 -3.69 1.44 7.99 -1.25 -4.82 117.00 114.87 1bq0 n LEU 9 Ca 0.18 -1.39 -0.26 0.00 -0.01 0.00 0.00 56.01 54.52 1bq0 n LEU 9 Cb 0.55 -0.56 0.06 0.00 -0.11 0.00 0.00 43.42 43.35 1bq0 n LEU 9 CO 0.30 0.42 0.18 0.61 -1.51 0.00 0.00 177.39 177.39 1bq0 n GLY 10 N 0.15 -0.53 3.60 -0.72 0.00 0.14 -4.74 105.19 103.09 1bq0 n GLY 10 Ca 0.10 0.23 -0.25 0.00 0.00 0.00 0.00 46.02 46.10 1bq0 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bq0 s VAL 11 N -3.30 2.61 -0.69 1.61 1.01 -1.23 -5.03 120.40 115.38 1bq0 s VAL 11 Ca 0.60 -2.05 -0.21 0.00 0.00 0.00 0.00 61.98 60.32 1bq0 s VAL 11 Cb -0.28 -2.72 0.09 0.00 0.00 0.00 0.00 36.38 33.46 1bq0 s VAL 11 CO 0.75 -0.23 0.93 -0.44 0.00 0.00 0.00 175.10 176.11 1bq0 s SER 12 N -3.67 6.26 0.28 3.32 0.01 -1.26 -4.24 113.70 114.40 1bq0 s SER 12 Ca 0.34 -1.29 0.04 0.00 1.31 0.00 0.00 55.95 56.34 1bq0 s SER 12 Cb -0.01 -2.39 0.21 0.00 0.21 0.00 0.00 66.02 64.04 1bq0 s SER 12 CO 0.18 -1.30 0.89 2.29 0.41 0.00 0.00 173.24 175.71 1bq0 n LYS 13 N 7.17 0.03 -0.16 12.44 2.85 -1.26 0.23 118.16 139.46 1bq0 n LYS 13 Ca 0.00 0.44 0.04 0.00 -1.05 0.00 0.00 58.31 57.74 1bq0 n LYS 13 Cb 0.45 -2.17 0.12 0.00 -0.65 0.00 0.00 35.03 32.78 1bq0 n LYS 13 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1bq0 n THR 14 N -1.74 0.43 -0.53 0.58 -2.24 -1.26 -4.82 114.28 104.70 1bq0 n THR 14 Ca -0.00 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1bq0 n THR 14 Cb 0.57 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1bq0 n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bq0 n ALA 15 N 0.25 0.00 -2.22 6.98 0.00 0.63 -5.12 120.51 121.03 1bq0 n ALA 15 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1bq0 n ALA 15 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 1bq0 n ALA 15 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bq0 n GLU 16 N 0.00 0.00 0.01 0.00 1.02 -1.26 -5.02 120.64 115.38 1bq0 n GLU 16 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1bq0 n GLU 16 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.31 1bq0 n GLU 16 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1bq0 h GLU 17 N 0.00 0.00 -0.63 3.49 4.81 -1.89 -3.18 114.58 117.18 1bq0 h GLU 17 Ca 0.00 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.35 1bq0 h GLU 17 Cb 0.00 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 1bq0 h GLU 17 CO 0.00 0.42 0.42 0.07 -0.73 0.00 0.00 179.01 179.19 1bq0 h ARG 18 N 0.00 0.32 0.00 1.92 -0.00 -1.98 0.80 114.38 115.44 1bq0 h ARG 18 Ca -0.22 -0.02 -0.35 0.00 -0.00 0.00 0.00 59.98 59.39 1bq0 h ARG 18 Cb 1.82 -0.07 -0.06 0.00 -0.00 0.00 0.00 29.97 31.65 1bq0 h ARG 18 CO 0.07 0.21 -2.31 -1.91 -0.00 0.00 0.00 179.97 176.02 1bq0 n GLU 19 N -4.46 0.68 0.11 0.08 2.13 -1.26 -3.86 120.64 114.07 1bq0 n GLU 19 Ca 0.11 0.10 0.09 0.00 0.66 0.00 0.00 57.16 58.12 1bq0 n GLU 19 Cb 0.46 -1.47 0.44 0.00 0.27 0.00 0.00 31.44 31.14 1bq0 n GLU 19 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1bq0 n ILE 20 N -3.07 1.16 0.01 6.31 -0.00 -1.13 0.32 119.36 122.95 1bq0 n ILE 20 Ca -0.39 0.54 -0.14 0.00 -0.00 0.00 0.00 62.75 62.76 1bq0 n ILE 20 Cb 0.97 -1.50 -0.14 0.00 -0.00 0.00 0.00 39.64 38.97 1bq0 n ILE 20 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.55 176.63 1bq0 h ARG 21 N 0.00 0.13 0.00 0.38 0.11 -0.98 -2.26 114.38 111.76 1bq0 h ARG 21 Ca 0.00 -0.22 -0.18 0.00 0.10 0.00 0.00 59.98 59.69 1bq0 h ARG 21 Cb 0.11 0.08 -0.03 0.00 1.11 0.00 0.00 29.97 31.24 1bq0 h ARG 21 CO 0.00 0.85 -1.83 1.17 0.10 0.00 0.00 179.97 180.27 1bq0 n LYS 22 N -3.27 0.65 0.02 0.08 4.81 -0.58 -3.10 118.16 116.77 1bq0 n LYS 22 Ca -0.20 0.04 -0.10 0.00 -0.87 0.00 0.00 58.31 57.19 1bq0 n LYS 22 Cb 1.04 -1.65 -0.08 0.00 0.02 0.00 0.00 35.03 34.36 1bq0 n LYS 22 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1bq0 h ALA 23 N 1.47 -0.15 0.27 3.14 0.00 0.50 0.12 119.26 124.61 1bq0 h ALA 23 Ca -0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1bq0 h ALA 23 Cb 1.60 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1bq0 h ALA 23 CO 0.03 -0.21 -0.19 -0.92 0.00 0.00 0.00 179.25 177.96 1bq0 h TYR 24 N -0.90 -0.49 0.57 0.00 3.20 -1.52 -0.30 116.97 117.53 1bq0 h TYR 24 Ca -0.02 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 1bq0 h TYR 24 Cb 0.54 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.98 1bq0 h TYR 24 CO 0.11 -0.29 -0.37 0.87 -1.64 0.00 0.00 178.16 176.84 1bq0 h LYS 25 N -0.45 -0.86 -0.63 1.82 1.57 -1.65 2.24 116.57 118.62 1bq0 h LYS 25 Ca -0.02 0.06 0.12 0.00 -1.87 0.00 0.00 60.65 58.94 1bq0 h LYS 25 Cb 0.39 0.19 -0.12 0.00 0.08 0.00 0.00 32.23 32.77 1bq0 h LYS 25 CO 0.01 -0.57 -0.27 0.00 -0.57 0.00 0.00 179.45 178.05 1bq0 h ARG 26 N -0.89 -0.10 -0.03 3.15 2.47 -0.72 1.82 114.38 120.08 1bq0 h ARG 26 Ca -0.08 0.01 -0.18 0.00 -1.26 0.00 0.00 59.98 58.47 1bq0 h ARG 26 Cb 0.72 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.05 1bq0 h ARG 26 CO 0.06 -0.06 -0.76 1.25 0.56 0.00 0.00 179.97 181.02 1bq0 h LEU 27 N -0.10 0.28 -0.67 3.04 7.12 -0.89 -3.06 115.31 121.03 1bq0 h LEU 27 Ca 0.27 -0.20 -0.13 0.00 0.13 0.00 0.00 57.88 57.95 1bq0 h LEU 27 Cb 0.53 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.56 1bq0 h LEU 27 CO -0.69 0.93 -0.63 0.00 -0.13 0.00 0.00 178.44 177.93 1bq0 h ALA 28 N 1.06 0.89 -0.83 1.25 0.00 0.57 -2.99 119.26 119.21 1bq0 h ALA 28 Ca -0.03 -0.57 0.21 0.00 0.00 0.00 0.00 54.91 54.51 1bq0 h ALA 28 Cb 1.33 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 1bq0 h ALA 28 CO 0.12 0.79 0.20 0.52 0.00 0.00 0.00 179.25 180.88 1bq0 h MET 29 N 0.00 0.22 0.00 0.00 2.86 0.28 4.01 114.93 122.30 1bq0 h MET 29 Ca -0.01 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1bq0 h MET 29 Cb 1.16 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.77 1bq0 h MET 29 CO 0.08 0.15 0.25 0.87 1.06 0.00 0.00 176.91 179.31 1bq0 h LYS 30 N 0.23 0.00 0.00 1.72 6.56 -1.63 -2.49 116.57 120.96 1bq0 h LYS 30 Ca 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.09 1bq0 h LYS 30 Cb 0.95 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.61 1bq0 h LYS 30 CO -0.61 0.00 -0.74 0.66 -2.06 0.00 0.00 179.45 176.70 1bq0 n TYR 31 N -2.52 0.00 -0.37 -1.35 4.01 1.02 -5.02 117.16 112.92 1bq0 n TYR 31 Ca -0.02 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.67 1bq0 n TYR 31 Cb 0.28 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.26 1bq0 n TYR 31 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1bq0 n HIS 32 N -1.30 0.00 0.25 -0.72 8.25 1.10 -4.50 115.22 118.31 1bq0 n HIS 32 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 1bq0 n HIS 32 Cb 0.14 -0.14 0.67 0.00 1.12 0.00 0.00 29.99 31.78 1bq0 n HIS 32 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1bq0 h PRO 33 N 2.76 0.00 -1.03 -0.41 0.13 -1.86 -0.95 132.00 130.64 1bq0 h PRO 33 Ca 0.01 0.00 0.42 0.00 -0.87 0.00 0.00 66.00 65.56 1bq0 h PRO 33 Cb 0.28 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.24 1bq0 h PRO 33 CO 0.41 0.14 0.57 -3.47 -0.23 0.00 0.00 178.00 175.41 1bq0 n ASP 34 N -3.85 0.33 -0.02 1.44 -0.08 -1.26 0.16 116.55 113.27 1bq0 n ASP 34 Ca -0.02 1.62 0.03 0.00 -1.51 0.00 0.00 54.79 54.91 1bq0 n ASP 34 Cb 0.23 -0.79 -0.08 0.00 2.34 0.00 0.00 41.12 42.82 1bq0 n ASP 34 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1bq0 n ARG 35 N -5.19 0.86 -2.34 -0.67 1.85 -1.11 -4.69 116.66 105.36 1bq0 n ARG 35 Ca 0.38 -0.07 -0.40 0.00 -1.00 0.00 0.00 57.85 56.75 1bq0 n ARG 35 Cb 1.31 -1.25 0.03 0.00 -1.05 0.00 0.00 32.46 31.50 1bq0 n ARG 35 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1bq0 n ASN 36 N -2.00 7.44 -0.70 2.89 4.13 0.12 -4.59 115.26 122.56 1bq0 n ASN 36 Ca -0.06 -3.74 0.13 0.00 1.68 0.00 0.00 54.58 52.59 1bq0 n ASN 36 Cb 0.42 -1.13 0.28 0.00 -1.54 0.00 0.00 39.78 37.80 1bq0 n ASN 36 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bq0 n GLN 37 N -0.22 1.91 0.24 3.52 6.02 -0.84 -2.18 117.38 125.83 1bq0 n GLN 37 Ca 0.50 -1.40 0.16 0.00 -0.01 0.00 0.00 57.00 56.25 1bq0 n GLN 37 Cb 0.25 -1.47 0.83 0.00 1.02 0.00 0.00 30.24 30.87 1bq0 n GLN 37 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1bq0 h GLY 38 N 4.79 0.00 0.00 1.08 0.00 -1.89 -3.24 103.07 103.81 1bq0 h GLY 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1bq0 h GLY 38 CO 0.00 0.00 -0.44 1.34 0.00 0.00 0.00 176.54 177.44 1bq0 n ASP 39 N -2.66 1.82 0.00 0.19 -0.08 -1.25 -5.01 116.55 109.56 1bq0 n ASP 39 Ca -0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 1bq0 n ASP 39 Cb 0.10 0.03 0.00 0.00 2.34 0.00 0.00 41.12 43.59 1bq0 n ASP 39 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1bq0 n LYS 40 N -1.82 -1.05 0.28 -0.67 5.02 -0.93 -4.77 118.16 114.23 1bq0 n LYS 40 Ca 0.00 0.26 0.11 0.00 -2.02 0.00 0.00 58.31 56.67 1bq0 n LYS 40 Cb 0.22 -4.55 0.61 0.00 -0.02 0.00 0.00 35.03 31.29 1bq0 n LYS 40 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1bq0 h GLU 41 N 0.22 0.00 0.00 1.97 4.57 -1.92 0.87 114.58 120.29 1bq0 h GLU 41 Ca 0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 1bq0 h GLU 41 Cb 0.52 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 1bq0 h GLU 41 CO 0.00 0.00 -0.56 0.00 -1.18 0.00 0.00 179.01 177.27 1bq0 h ALA 42 N 1.19 0.90 -1.04 2.92 0.00 -1.86 -3.08 119.26 118.29 1bq0 h ALA 42 Ca 0.00 -0.51 0.37 0.00 0.00 0.00 0.00 54.91 54.76 1bq0 h ALA 42 Cb 0.74 -0.09 -0.16 0.00 0.00 0.00 0.00 17.79 18.28 1bq0 h ALA 42 CO 0.00 0.71 0.59 1.49 0.00 0.00 0.00 179.25 182.04 1bq0 h GLU 43 N 0.00 0.19 0.00 0.00 4.81 0.45 1.52 114.58 121.55 1bq0 h GLU 43 Ca -0.01 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1bq0 h GLU 43 Cb 1.12 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1bq0 h GLU 43 CO 0.07 0.12 -0.25 0.00 -0.73 0.00 0.00 179.01 178.22 1bq0 h ALA 44 N 1.87 0.04 -0.29 2.92 0.00 -1.70 -3.25 119.26 118.85 1bq0 h ALA 44 Ca 0.78 -0.43 0.08 0.00 0.00 0.00 0.00 54.91 55.34 1bq0 h ALA 44 Cb 1.96 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.91 1bq0 h ALA 44 CO -0.63 0.17 0.48 -0.22 0.00 0.00 0.00 179.25 179.05 1bq0 h LYS 45 N -1.00 0.00 0.00 0.00 1.63 -1.13 2.42 116.57 118.49 1bq0 h LYS 45 Ca -0.05 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 1bq0 h LYS 45 Cb 0.62 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.25 1bq0 h LYS 45 CO -0.03 0.00 -0.06 0.35 -3.45 0.00 0.00 179.45 176.25 1bq0 h PHE 46 N 0.00 0.00 0.00 1.91 3.04 0.20 1.26 116.94 123.35 1bq0 h PHE 46 Ca 0.14 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.09 1bq0 h PHE 46 Cb 1.09 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.60 1bq0 h PHE 46 CO 0.00 0.06 0.00 0.36 -2.02 0.00 0.00 178.31 176.71 1bq0 n LYS 47 N -4.43 0.16 -0.02 1.11 2.85 0.81 0.19 118.16 118.82 1bq0 n LYS 47 Ca -0.03 0.07 -0.12 0.00 -1.05 0.00 0.00 58.31 57.18 1bq0 n LYS 47 Cb 0.15 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 32.88 1bq0 n LYS 47 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1bq0 n GLU 48 N -1.40 0.67 -0.07 -1.58 -0.58 0.42 -3.35 120.64 114.75 1bq0 n GLU 48 Ca 0.08 0.27 -0.15 0.00 -0.42 0.00 0.00 57.16 56.94 1bq0 n GLU 48 Cb 0.24 -1.75 -0.05 0.00 -0.57 0.00 0.00 31.44 29.31 1bq0 n GLU 48 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1bq0 n ILE 49 N -3.15 0.94 0.21 -3.67 -0.00 -0.62 -3.60 119.36 109.47 1bq0 n ILE 49 Ca -0.23 -0.13 0.09 0.00 -0.00 0.00 0.00 62.75 62.48 1bq0 n ILE 49 Cb 1.06 -1.76 0.42 0.00 -0.00 0.00 0.00 39.64 39.36 1bq0 n ILE 49 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.55 177.05 1bq0 h LYS 50 N -0.56 0.00 0.02 0.38 3.11 0.18 3.13 116.57 122.84 1bq0 h LYS 50 Ca -0.33 0.00 -0.31 0.00 -2.81 0.00 0.00 60.65 57.21 1bq0 h LYS 50 Cb 1.21 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 32.39 1bq0 h LYS 50 CO -0.20 0.27 -1.78 -1.91 -2.81 0.00 0.00 179.45 173.02 1bq0 n GLU 51 N -3.44 0.66 -0.09 1.90 4.07 -0.45 -2.79 120.64 120.49 1bq0 n GLU 51 Ca -0.00 0.28 -0.17 0.00 -0.06 0.00 0.00 57.16 57.22 1bq0 n GLU 51 Cb 0.45 -1.77 -0.10 0.00 -0.06 0.00 0.00 31.44 29.96 1bq0 n GLU 51 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1bq0 h ALA 52 N 0.83 0.17 0.00 4.31 0.00 -1.52 -3.34 119.26 119.71 1bq0 h ALA 52 Ca -0.32 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.67 1bq0 h ALA 52 Cb 2.02 0.55 0.00 0.00 0.00 0.00 0.00 17.79 20.36 1bq0 h ALA 52 CO 0.08 0.52 0.00 2.48 0.00 0.00 0.00 179.25 182.33 1bq0 n TYR 53 N -4.51 0.00 0.21 0.00 4.11 1.04 -2.98 117.16 115.03 1bq0 n TYR 53 Ca -0.23 0.00 0.06 0.00 -0.00 0.00 0.00 57.90 57.73 1bq0 n TYR 53 Cb 0.55 0.00 0.45 0.00 -0.00 0.00 0.00 39.34 40.34 1bq0 n TYR 53 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.86 178.35 1bq0 h GLU 54 N 0.00 0.00 0.00 -3.48 4.81 -1.40 -2.65 114.58 111.86 1bq0 h GLU 54 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1bq0 h GLU 54 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1bq0 h GLU 54 CO 0.00 0.29 -1.67 1.33 -0.73 0.00 0.00 179.01 178.24 1bq0 n VAL 55 N -3.92 0.14 0.15 0.32 0.24 -1.16 -4.02 118.33 110.07 1bq0 n VAL 55 Ca -0.02 -0.46 0.07 0.00 -2.04 0.00 0.00 64.34 61.89 1bq0 n VAL 55 Cb 0.37 0.01 0.37 0.00 -1.47 0.00 0.00 33.84 33.11 1bq0 n VAL 55 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1bq0 n LEU 56 N -2.28 0.35 -0.01 1.34 4.77 -1.00 -0.57 117.00 119.61 1bq0 n LEU 56 Ca -0.02 0.65 0.08 0.00 -0.03 0.00 0.00 56.01 56.69 1bq0 n LEU 56 Cb 0.54 -0.68 -0.15 0.00 -2.33 0.00 0.00 43.42 40.80 1bq0 n LEU 56 CO 0.44 -0.73 -0.72 1.07 -1.33 0.00 0.00 177.39 176.12 1bq0 n THR 57 N -1.96 0.24 -4.08 -5.08 5.66 -1.23 -4.62 114.28 103.22 1bq0 n THR 57 Ca -0.00 -0.55 -0.24 0.00 -3.05 0.00 0.00 64.05 60.20 1bq0 n THR 57 Cb 0.05 -0.10 -0.07 0.00 -1.55 0.00 0.00 70.33 68.66 1bq0 n THR 57 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1bq0 s ASP 58 N -4.74 4.49 -0.19 1.09 -1.08 0.27 -4.86 116.67 111.65 1bq0 s ASP 58 Ca -0.07 -1.04 -0.09 0.00 -0.52 0.00 0.00 52.55 50.82 1bq0 s ASP 58 Cb 0.13 -0.49 -0.09 0.00 -1.46 0.00 0.00 42.92 41.01 1bq0 s ASP 58 CO 0.89 -0.55 -0.24 -0.24 0.52 0.00 0.00 175.17 175.55 1bq0 n SER 59 N -1.26 1.44 -0.32 -0.34 2.88 -1.26 -4.08 113.62 110.68 1bq0 n SER 59 Ca -0.01 0.21 0.14 0.00 -1.33 0.00 0.00 58.87 57.89 1bq0 n SER 59 Cb 0.64 -0.55 0.33 0.00 -0.75 0.00 0.00 64.21 63.88 1bq0 n SER 59 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 1bq0 h GLN 60 N -0.64 0.46 0.00 -1.46 3.07 -1.98 0.64 115.11 115.20 1bq0 h GLN 60 Ca -0.48 -0.03 -0.12 0.00 0.09 0.00 0.00 58.65 58.11 1bq0 h GLN 60 Cb 1.44 -0.10 -0.02 0.00 0.08 0.00 0.00 27.48 28.88 1bq0 h GLN 60 CO -0.28 0.31 -0.56 0.87 0.09 0.00 0.00 178.83 179.26 1bq0 h LYS 61 N 0.48 0.00 0.00 0.06 1.57 -1.87 0.51 116.57 117.31 1bq0 h LYS 61 Ca 0.58 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.34 1bq0 h LYS 61 Cb 1.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 1bq0 h LYS 61 CO -0.50 0.56 -0.09 0.00 -0.57 0.00 0.00 179.45 178.85 1bq0 h ARG 62 N 0.00 0.00 0.00 3.15 2.47 0.12 2.73 114.38 122.85 1bq0 h ARG 62 Ca -0.01 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.48 1bq0 h ARG 62 Cb 1.01 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.28 1bq0 h ARG 62 CO 0.07 0.09 -1.69 0.00 0.56 0.00 0.00 179.97 179.00 1bq0 n ALA 63 N -2.51 1.73 -0.04 0.04 0.00 -0.81 -2.31 120.51 116.61 1bq0 n ALA 63 Ca -0.03 -0.74 -0.03 0.00 0.00 0.00 0.00 53.44 52.65 1bq0 n ALA 63 Cb 0.16 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 1bq0 n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bq0 h ALA 64 N 1.22 -0.04 0.00 0.00 0.00 0.14 -3.30 119.26 117.29 1bq0 h ALA 64 Ca -0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1bq0 h ALA 64 Cb 1.82 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 1bq0 h ALA 64 CO 0.06 -0.04 -0.11 -0.92 0.00 0.00 0.00 179.25 178.24 1bq0 h TYR 65 N -1.00 0.00 -0.84 0.00 3.20 0.46 -1.82 116.97 116.96 1bq0 h TYR 65 Ca -0.00 0.00 0.21 0.00 3.14 0.00 0.00 58.73 62.08 1bq0 h TYR 65 Cb 0.18 0.00 -0.13 0.00 1.54 0.00 0.00 36.73 38.32 1bq0 h TYR 65 CO 0.04 0.11 0.21 0.22 -1.64 0.00 0.00 178.16 177.11 1bq0 h ASP 66 N 0.00 -0.00 0.00 -2.11 3.58 -1.40 -3.41 116.42 113.07 1bq0 h ASP 66 Ca -0.00 0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.63 1bq0 h ASP 66 Cb 0.37 0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.67 1bq0 h ASP 66 CO 0.01 -0.12 0.00 0.00 -2.88 0.00 0.00 179.24 176.26 1bq0 n GLN 67 N -5.21 0.00 -3.17 0.28 1.13 -1.01 -5.07 117.38 104.33 1bq0 n GLN 67 Ca 0.19 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.82 1bq0 n GLN 67 Cb 0.61 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.89 1bq0 n GLN 67 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 1bq0 s TYR 68 N 0.00 3.08 -0.42 1.08 1.51 -0.72 -4.91 117.35 116.97 1bq0 s TYR 68 Ca 0.00 -0.25 0.01 0.00 -1.01 0.00 0.00 57.07 55.82 1bq0 s TYR 68 Cb 0.00 -3.30 0.43 0.00 -0.11 0.00 0.00 41.96 38.98 1bq0 s TYR 68 CO 0.00 -0.88 1.86 0.41 -1.11 0.00 0.00 175.55 175.83 1bq0 n GLY 69 N 5.09 4.45 2.73 0.71 0.00 -1.26 -4.16 105.19 112.75 1bq0 n GLY 69 Ca -0.04 -1.27 -0.19 0.00 0.00 0.00 0.00 46.02 44.52 1bq0 n GLY 69 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1bq0 s HIS 70 N -2.69 -0.24 -0.40 1.61 5.04 -1.26 -4.85 115.29 112.50 1bq0 s HIS 70 Ca 0.46 0.06 0.00 0.00 -1.54 0.00 0.00 55.06 54.04 1bq0 s HIS 70 Cb 0.37 -0.43 0.00 0.00 0.04 0.00 0.00 32.58 32.57 1bq0 s HIS 70 CO 0.04 -0.66 0.00 0.00 -2.34 0.00 0.00 174.74 171.78 1bq0 n ALA 71 N 5.31 -0.56 0.05 1.58 0.00 -1.26 -4.76 120.51 120.87 1bq0 n ALA 71 Ca -0.05 0.05 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1bq0 n ALA 71 Cb 0.49 -0.75 -0.10 0.00 0.00 0.00 0.00 19.45 19.09 1bq0 n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bq0 h ALA 72 N 1.25 -0.92 -2.78 0.00 0.00 -1.89 -3.35 119.26 111.57 1bq0 h ALA 72 Ca -0.10 -0.08 -0.60 0.00 0.00 0.00 0.00 54.91 54.13 1bq0 h ALA 72 Cb 0.74 0.94 -0.40 0.00 0.00 0.00 0.00 17.79 19.07 1bq0 h ALA 72 CO 0.12 -1.10 -0.79 -0.06 0.00 0.00 0.00 179.25 177.42 1bq0 s PHE 73 N -5.76 1.87 -1.14 0.00 0.08 -1.26 -4.87 117.98 106.90 1bq0 s PHE 73 Ca -0.16 -2.47 -0.12 0.00 0.12 0.00 0.00 56.93 54.30 1bq0 s PHE 73 Cb 0.07 -1.64 0.21 0.00 -0.57 0.00 0.00 43.02 41.09 1bq0 s PHE 73 CO 0.61 -0.76 1.26 -1.21 -0.10 0.00 0.00 175.22 175.02 1bq0 s GLU 74 N 0.02 4.09 0.00 0.44 2.02 -1.21 -4.85 118.70 119.21 1bq0 s GLU 74 Ca 0.23 -2.79 0.00 0.00 0.02 0.00 0.00 54.97 52.43 1bq0 s GLU 74 Cb -0.12 -4.82 0.00 0.00 0.10 0.00 0.00 34.13 29.28 1bq0 s GLU 74 CO -0.09 -1.53 0.00 1.04 0.02 0.00 0.00 175.26 174.70 1bq0 n GLN 75 N 4.43 0.00 -2.20 1.61 1.13 -1.26 -2.54 117.38 118.55 1bq0 n GLN 75 Ca 0.30 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 55.06 1bq0 n GLN 75 Cb 0.42 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.79 1bq0 n GLN 75 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bq0 n GLY 76 N 0.00 5.99 0.00 1.08 0.00 -1.26 -5.27 105.19 105.74 1bq0 n GLY 76 Ca 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 46.02 43.36 1bq0 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93