#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bq0 s LYS 2 N 0.00 3.19 -0.23 0.00 1.02 -1.26 -4.95 119.74 117.51 1bq0 s LYS 2 Ca 0.00 -0.45 -0.11 0.00 0.02 0.00 0.00 55.97 55.43 1bq0 s LYS 2 Cb 0.00 -4.18 0.08 0.00 -0.52 0.00 0.00 37.83 33.22 1bq0 s LYS 2 CO 0.00 -1.92 0.54 -0.65 -0.92 0.00 0.00 175.35 172.40 1bq0 s GLN 3 N 4.85 0.51 0.08 1.68 -0.21 -1.26 -5.16 119.66 120.15 1bq0 s GLN 3 Ca 0.30 1.09 -0.01 0.00 0.02 0.00 0.00 55.36 56.76 1bq0 s GLN 3 Cb -0.12 0.24 0.02 0.00 1.00 0.00 0.00 33.01 34.15 1bq0 s GLN 3 CO 0.14 -0.18 0.04 -3.47 -2.12 0.00 0.00 175.29 169.70 1bq0 n ASP 4 N 4.69 -1.42 -1.64 5.90 2.03 -1.26 -4.87 116.55 119.97 1bq0 n ASP 4 Ca -0.18 -0.04 -0.06 0.00 0.52 0.00 0.00 54.79 55.03 1bq0 n ASP 4 Cb 0.54 -0.06 0.25 0.00 -0.72 0.00 0.00 41.12 41.14 1bq0 n ASP 4 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1bq0 n TYR 5 N -2.79 1.97 -0.09 -0.67 4.01 -1.26 -4.45 117.16 113.88 1bq0 n TYR 5 Ca 0.01 -1.37 -0.15 0.00 -0.16 0.00 0.00 57.90 56.23 1bq0 n TYR 5 Cb 0.03 -0.62 -0.09 0.00 -0.31 0.00 0.00 39.34 38.35 1bq0 n TYR 5 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 1bq0 h TYR 6 N 1.80 0.00 0.00 -0.72 -0.00 -1.89 -3.35 116.97 112.81 1bq0 h TYR 6 Ca 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.96 1bq0 h TYR 6 Cb 2.12 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.84 1bq0 h TYR 6 CO 1.15 0.94 -0.21 1.49 -0.00 0.00 0.00 178.16 181.53 1bq0 h GLU 7 N -1.00 0.00 -1.52 0.10 4.81 -1.87 -2.61 114.58 112.49 1bq0 h GLU 7 Ca -0.18 0.00 0.44 0.00 -0.13 0.00 0.00 59.36 59.49 1bq0 h GLU 7 Cb 0.96 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.28 1bq0 h GLU 7 CO -0.11 0.21 1.19 0.82 -0.73 0.00 0.00 179.01 180.39 1bq0 h ILE 8 N 0.00 0.13 -0.58 2.32 5.03 -1.78 2.03 117.51 124.65 1bq0 h ILE 8 Ca -0.00 0.00 -0.31 0.00 -0.12 0.00 0.00 64.86 64.43 1bq0 h ILE 8 Cb 0.50 0.15 -0.18 0.00 -3.03 0.00 0.00 36.82 34.25 1bq0 h ILE 8 CO 0.03 0.00 0.17 0.18 -0.68 0.00 0.00 178.15 177.84 1bq0 n LEU 9 N -3.86 5.07 -3.67 1.44 4.77 -0.98 -4.96 117.00 114.81 1bq0 n LEU 9 Ca 0.34 -3.76 -0.24 0.00 -0.03 0.00 0.00 56.01 52.33 1bq0 n LEU 9 Cb 1.66 -0.71 0.01 0.00 -2.33 0.00 0.00 43.42 42.05 1bq0 n LEU 9 CO 0.39 1.22 -0.10 0.61 -1.33 0.00 0.00 177.39 178.18 1bq0 n GLY 10 N -1.13 -1.20 0.00 -0.72 0.00 0.69 -4.61 105.19 98.22 1bq0 n GLY 10 Ca 0.43 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.98 1bq0 n GLY 10 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bq0 n VAL 11 N -2.99 0.00 -0.55 1.61 0.31 -1.25 -4.83 118.33 110.63 1bq0 n VAL 11 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1bq0 n VAL 11 Cb 0.63 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 1bq0 n VAL 11 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1bq0 n SER 12 N 0.00 0.11 0.00 4.52 2.88 -1.26 -4.80 113.62 115.07 1bq0 n SER 12 Ca 0.00 -0.69 0.00 0.00 -1.33 0.00 0.00 58.87 56.85 1bq0 n SER 12 Cb 0.00 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 1bq0 n SER 12 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1bq0 n LYS 13 N -0.06 0.00 -0.01 -1.46 2.85 -1.26 -4.37 118.16 113.85 1bq0 n LYS 13 Ca 0.00 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.40 1bq0 n LYS 13 Cb 0.14 -0.09 0.57 0.00 -0.65 0.00 0.00 35.03 35.00 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 0.00 0.03 0.00 0.58 -2.24 -1.26 -4.85 114.28 106.54 1bq0 n THR 14 Ca 0.00 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1bq0 n THR 14 Cb 0.00 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 -0.02 0.00 -2.48 6.98 0.00 -1.26 -5.08 120.51 118.65 1bq0 n ALA 15 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1bq0 n ALA 15 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 0.10 0.00 -0.58 -1.26 -4.99 120.64 113.90 1bq0 n GLU 16 Ca 0.00 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.86 1bq0 n GLU 16 Cb 0.00 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 30.89 1bq0 n GLU 16 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1bq0 h GLU 17 N 0.00 0.00 -0.37 3.49 4.81 -1.97 -3.19 114.58 117.36 1bq0 h GLU 17 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1bq0 h GLU 17 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1bq0 h GLU 17 CO 0.00 0.00 0.11 0.07 -0.73 0.00 0.00 179.01 178.46 1bq0 h ARG 18 N 0.00 0.53 0.00 1.92 -0.00 -1.99 -0.70 114.38 114.14 1bq0 h ARG 18 Ca 0.00 -0.08 -0.43 0.00 -0.00 0.00 0.00 59.98 59.48 1bq0 h ARG 18 Cb 0.95 -0.10 -0.07 0.00 -0.00 0.00 0.00 29.97 30.76 1bq0 h ARG 18 CO 0.00 0.47 -2.51 -1.91 -0.00 0.00 0.00 179.97 176.02 1bq0 n GLU 19 N -4.36 0.62 0.29 0.08 2.13 -1.26 -3.57 120.64 114.58 1bq0 n GLU 19 Ca 0.02 0.20 0.15 0.00 0.66 0.00 0.00 57.16 58.20 1bq0 n GLU 19 Cb 0.17 -1.50 0.82 0.00 0.27 0.00 0.00 31.44 31.20 1bq0 n GLU 19 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1bq0 h ILE 20 N -0.48 0.00 0.04 6.31 5.03 -1.60 3.06 117.51 129.86 1bq0 h ILE 20 Ca -0.64 0.00 -0.29 0.00 -0.12 0.00 0.00 64.86 63.81 1bq0 h ILE 20 Cb 1.76 0.67 -0.03 0.00 -3.03 0.00 0.00 36.82 36.18 1bq0 h ILE 20 CO -0.25 0.00 -1.63 0.08 -0.68 0.00 0.00 178.15 175.67 1bq0 h ARG 21 N 0.00 0.08 0.00 2.37 0.11 -1.26 -0.25 114.38 115.43 1bq0 h ARG 21 Ca 0.00 -0.15 -0.28 0.00 0.10 0.00 0.00 59.98 59.66 1bq0 h ARG 21 Cb 0.44 0.05 -0.05 0.00 1.11 0.00 0.00 29.97 31.53 1bq0 h ARG 21 CO 0.00 0.78 -1.59 -0.22 0.10 0.00 0.00 179.97 179.04 1bq0 h LYS 22 N 0.02 0.00 0.10 0.08 3.11 -0.57 -3.21 116.57 116.10 1bq0 h LYS 22 Ca -0.26 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.57 1bq0 h LYS 22 Cb 1.99 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.22 1bq0 h LYS 22 CO 0.10 0.56 -0.05 0.00 -2.81 0.00 0.00 179.45 177.26 1bq0 h ALA 23 N 1.01 -0.13 -1.14 5.00 0.00 0.52 2.05 119.26 126.57 1bq0 h ALA 23 Ca -0.24 -0.14 0.34 0.00 0.00 0.00 0.00 54.91 54.87 1bq0 h ALA 23 Cb 1.97 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 19.69 1bq0 h ALA 23 CO 0.09 -0.14 0.72 -0.92 0.00 0.00 0.00 179.25 178.99 1bq0 h TYR 24 N -1.00 0.67 0.06 0.00 3.20 -1.15 2.36 116.97 121.10 1bq0 h TYR 24 Ca -0.01 0.03 -0.25 0.00 3.14 0.00 0.00 58.73 61.63 1bq0 h TYR 24 Cb 0.33 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1bq0 h TYR 24 CO 0.06 -0.10 -1.34 -0.22 -1.64 0.00 0.00 178.16 174.92 1bq0 h LYS 25 N 0.26 0.12 0.00 1.82 3.11 -1.56 -3.03 116.57 117.28 1bq0 h LYS 25 Ca 0.71 -0.21 -0.10 0.00 -2.81 0.00 0.00 60.65 58.25 1bq0 h LYS 25 Cb 1.96 0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 33.25 1bq0 h LYS 25 CO -0.41 1.10 -0.46 -0.09 -2.81 0.00 0.00 179.45 176.77 1bq0 h ARG 26 N -0.60 0.00 0.00 1.90 9.65 0.49 -3.04 114.38 122.78 1bq0 h ARG 26 Ca -0.32 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.45 1bq0 h ARG 26 Cb 1.55 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.11 1bq0 h ARG 26 CO -0.06 0.46 -1.05 1.25 2.80 0.00 0.00 179.97 183.37 1bq0 h LEU 27 N 0.00 0.00 -0.66 3.80 7.12 0.38 -3.30 115.31 122.64 1bq0 h LEU 27 Ca -0.00 0.00 -0.11 0.00 0.13 0.00 0.00 57.88 57.89 1bq0 h LEU 27 Cb 0.99 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.10 1bq0 h LEU 27 CO 0.06 0.38 -0.54 0.00 -0.13 0.00 0.00 178.44 178.21 1bq0 h ALA 28 N 1.62 0.88 -0.68 1.25 0.00 -1.48 -3.14 119.26 117.71 1bq0 h ALA 28 Ca -0.08 -0.49 0.13 0.00 0.00 0.00 0.00 54.91 54.46 1bq0 h ALA 28 Cb 1.36 -0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.94 1bq0 h ALA 28 CO 0.03 0.68 -0.26 1.98 0.00 0.00 0.00 179.25 181.68 1bq0 h MET 29 N 0.00 -0.07 -0.20 0.00 1.85 -1.61 4.23 114.93 119.12 1bq0 h MET 29 Ca -0.01 0.01 0.06 0.00 -0.61 0.00 0.00 59.70 59.15 1bq0 h MET 29 Cb 1.12 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 33.16 1bq0 h MET 29 CO 0.07 -0.05 0.60 0.87 -0.40 0.00 0.00 176.91 178.00 1bq0 h LYS 30 N -0.08 0.00 0.00 0.39 6.56 -1.75 -0.32 116.57 121.37 1bq0 h LYS 30 Ca 0.29 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.85 1bq0 h LYS 30 Cb 0.55 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.20 1bq0 h LYS 30 CO -0.73 0.00 -1.25 0.66 -2.06 0.00 0.00 179.45 176.07 1bq0 n TYR 31 N -3.01 0.00 -0.79 -1.35 4.01 0.97 -5.00 117.16 111.99 1bq0 n TYR 31 Ca 0.03 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.51 1bq0 n TYR 31 Cb 0.70 -0.16 0.02 0.00 -0.31 0.00 0.00 39.34 39.59 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 -1.92 -3.10 0.00 -0.72 8.25 1.18 -4.38 115.22 114.53 1bq0 n HIS 32 Ca -0.04 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1bq0 n HIS 32 Cb 0.39 -1.10 0.00 0.00 1.12 0.00 0.00 29.99 30.40 1bq0 n HIS 32 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1bq0 n PRO 33 N 1.51 1.82 0.00 -0.41 -0.04 -1.26 -3.00 135.00 133.61 1bq0 n PRO 33 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1bq0 n PRO 33 Cb 0.38 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.84 1bq0 n PRO 33 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1bq0 n ASP 34 N 0.00 0.00 0.06 3.54 -0.08 -1.26 -2.70 116.55 116.12 1bq0 n ASP 34 Ca 0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 1bq0 n ASP 34 Cb 0.00 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 1bq0 n ASP 34 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 1bq0 h ARG 35 N 0.00 0.00 0.00 -0.67 0.11 -1.91 -3.33 114.38 108.58 1bq0 h ARG 35 Ca 0.00 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.03 1bq0 h ARG 35 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 1bq0 h ARG 35 CO 0.00 0.47 -1.86 0.09 0.10 0.00 0.00 179.97 178.76 1bq0 n ASN 36 N -3.07 0.17 -2.09 0.08 4.13 -1.10 -5.01 115.26 108.37 1bq0 n ASN 36 Ca -0.05 0.07 -0.01 0.00 1.68 0.00 0.00 54.58 56.27 1bq0 n ASN 36 Cb 0.84 1.56 0.00 0.00 -1.54 0.00 0.00 39.78 40.64 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 -2.41 -0.59 0.00 3.52 6.02 -1.25 -3.65 117.38 119.03 1bq0 n GLN 37 Ca -0.07 0.93 0.00 0.00 -0.01 0.00 0.00 57.00 57.85 1bq0 n GLN 37 Cb 0.65 -3.15 0.00 0.00 1.02 0.00 0.00 30.24 28.76 1bq0 n GLN 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bq0 n GLY 38 N -1.14 0.97 0.00 1.08 0.00 -1.26 -4.28 105.19 100.55 1bq0 n GLY 38 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bq0 n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bq0 n ASP 39 N 2.29 0.00 0.00 1.61 8.00 -1.24 -4.33 116.55 122.88 1bq0 n ASP 39 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1bq0 n ASP 39 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1bq0 n ASP 39 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1bq0 n LYS 40 N 0.00 0.00 0.03 -1.24 4.76 -1.25 -1.73 118.16 118.73 1bq0 n LYS 40 Ca 0.00 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.55 1bq0 n LYS 40 Cb 0.00 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.21 1bq0 n LYS 40 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1bq0 n GLU 41 N 0.00 0.33 0.09 1.97 1.02 -1.26 -3.73 120.64 119.06 1bq0 n GLU 41 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1bq0 n GLU 41 Cb 0.00 -1.61 0.14 0.00 -0.02 0.00 0.00 31.44 29.95 1bq0 n GLU 41 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bq0 h ALA 42 N 2.47 0.63 -0.54 0.62 0.00 -1.54 -3.16 119.26 117.74 1bq0 h ALA 42 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1bq0 h ALA 42 Cb 0.76 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 1bq0 h ALA 42 CO 0.00 0.00 0.16 1.49 0.00 0.00 0.00 179.25 180.90 1bq0 h GLU 43 N 0.00 0.31 0.00 0.00 4.81 -1.76 1.64 114.58 119.58 1bq0 h GLU 43 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1bq0 h GLU 43 Cb 0.84 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1bq0 h GLU 43 CO 0.00 0.20 -0.33 0.00 -0.73 0.00 0.00 179.01 178.16 1bq0 h ALA 44 N 1.39 0.00 -1.25 2.92 0.00 -1.80 -3.34 119.26 117.17 1bq0 h ALA 44 Ca 0.27 -0.33 0.40 0.00 0.00 0.00 0.00 54.91 55.24 1bq0 h ALA 44 Cb 0.34 0.33 -0.12 0.00 0.00 0.00 0.00 17.79 18.33 1bq0 h ALA 44 CO -0.30 0.33 0.81 0.87 0.00 0.00 0.00 179.25 180.95 1bq0 h LYS 45 N -0.97 0.15 -0.31 0.00 6.56 -1.55 3.23 116.57 123.67 1bq0 h LYS 45 Ca 0.00 -0.01 0.09 0.00 -1.06 0.00 0.00 60.65 59.67 1bq0 h LYS 45 Cb 0.33 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.94 1bq0 h LYS 45 CO 0.00 0.10 0.40 0.35 -2.06 0.00 0.00 179.45 178.24 1bq0 h PHE 46 N 0.15 0.00 0.02 -1.35 3.57 0.23 2.32 116.94 121.88 1bq0 h PHE 46 Ca 0.77 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 62.27 1bq0 h PHE 46 Cb 2.33 0.00 0.00 0.00 2.79 0.00 0.00 35.95 41.07 1bq0 h PHE 46 CO -0.00 0.00 -0.01 1.57 -2.23 0.00 0.00 178.31 177.64 1bq0 h LYS 47 N 0.00 -0.02 -0.07 1.11 2.10 0.58 0.39 116.57 120.65 1bq0 h LYS 47 Ca 0.15 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.82 1bq0 h LYS 47 Cb 0.95 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.29 1bq0 h LYS 47 CO -0.00 0.67 0.40 0.93 -2.00 0.00 0.00 179.45 179.45 1bq0 h GLU 48 N -0.95 0.00 0.00 0.07 4.39 0.12 2.61 114.58 120.82 1bq0 h GLU 48 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1bq0 h GLU 48 Cb 0.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1bq0 h GLU 48 CO 0.00 0.00 0.00 -0.89 -1.16 0.00 0.00 179.01 176.96 1bq0 n ILE 49 N -2.99 0.00 0.53 3.13 2.08 0.70 -3.40 119.36 119.41 1bq0 n ILE 49 Ca -0.00 0.00 0.10 0.00 0.56 0.00 0.00 62.75 63.41 1bq0 n ILE 49 Cb 0.47 -0.30 0.42 0.00 -0.75 0.00 0.00 39.64 39.48 1bq0 n ILE 49 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1bq0 n LYS 50 N -0.54 0.10 -0.00 0.38 4.81 0.13 0.71 118.16 123.75 1bq0 n LYS 50 Ca 0.00 0.29 -0.10 0.00 -0.87 0.00 0.00 58.31 57.62 1bq0 n LYS 50 Cb 0.00 -1.67 -0.14 0.00 0.02 0.00 0.00 35.03 33.24 1bq0 n LYS 50 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1bq0 h GLU 51 N 0.00 0.04 0.00 1.64 4.22 0.44 -3.04 114.58 117.88 1bq0 h GLU 51 Ca 0.00 -0.07 -0.12 0.00 0.08 0.00 0.00 59.36 59.25 1bq0 h GLU 51 Cb 0.37 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1bq0 h GLU 51 CO 0.00 0.65 -0.87 0.00 -2.18 0.00 0.00 179.01 176.61 1bq0 h ALA 52 N 0.88 0.14 0.00 2.92 0.00 -0.61 -3.37 119.26 119.22 1bq0 h ALA 52 Ca -0.26 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 53.78 1bq0 h ALA 52 Cb 1.99 0.60 0.00 0.00 0.00 0.00 0.00 17.79 20.37 1bq0 h ALA 52 CO 0.09 0.58 0.00 2.48 0.00 0.00 0.00 179.25 182.40 1bq0 n TYR 53 N -4.52 0.00 0.05 0.00 0.18 0.22 -3.28 117.16 109.81 1bq0 n TYR 53 Ca -0.20 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.37 1bq0 n TYR 53 Cb 0.49 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.30 1bq0 n TYR 53 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 1bq0 h GLU 54 N 0.00 0.31 -0.05 -3.48 4.81 -1.65 -3.36 114.58 111.16 1bq0 h GLU 54 Ca 0.00 -0.53 -0.11 0.00 -0.13 0.00 0.00 59.36 58.58 1bq0 h GLU 54 Cb 0.00 0.20 0.01 0.00 0.63 0.00 0.00 28.75 29.59 1bq0 h GLU 54 CO 0.00 1.26 -0.41 -0.39 -0.73 0.00 0.00 179.01 178.74 1bq0 h VAL 55 N -0.34 1.43 -1.09 0.32 -1.51 -1.75 -3.06 116.25 110.25 1bq0 h VAL 55 Ca -0.15 -1.84 0.32 0.00 -1.23 0.00 0.00 66.70 63.79 1bq0 h VAL 55 Cb 1.68 2.41 -0.04 0.00 -2.13 0.00 0.00 31.29 33.20 1bq0 h VAL 55 CO 0.16 0.53 1.20 -0.07 -1.23 0.00 0.00 177.57 178.16 1bq0 h LEU 56 N -0.13 0.00 -2.62 4.19 4.07 -1.72 2.05 115.31 121.15 1bq0 h LEU 56 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1bq0 h LEU 56 Cb 1.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1bq0 h LEU 56 CO 0.08 0.00 0.00 0.35 -1.08 0.00 0.00 178.44 177.79 1bq0 n THR 57 N -3.34 0.82 -3.10 0.22 -2.24 -1.16 -4.77 114.28 100.71 1bq0 n THR 57 Ca 0.24 -0.91 -0.45 0.00 -2.27 0.00 0.00 64.05 60.66 1bq0 n THR 57 Cb 1.53 0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 70.36 1bq0 n THR 57 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1bq0 s ASP 58 N -0.99 6.53 0.00 3.42 2.15 0.69 -4.93 116.67 123.54 1bq0 s ASP 58 Ca 0.22 -2.04 0.00 0.00 0.43 0.00 0.00 52.55 51.16 1bq0 s ASP 58 Cb 0.12 -2.31 0.00 0.00 -0.30 0.00 0.00 42.92 40.43 1bq0 s ASP 58 CO 0.16 -0.94 0.00 -1.20 -0.17 0.00 0.00 175.17 173.02 1bq0 n SER 59 N 5.73 0.00 0.07 -0.34 7.64 -1.26 0.28 113.62 125.73 1bq0 n SER 59 Ca 0.10 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.82 1bq0 n SER 59 Cb 0.46 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.58 1bq0 n SER 59 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1bq0 h GLN 60 N 0.00 0.48 0.00 1.43 3.07 -1.92 -3.46 115.11 114.72 1bq0 h GLN 60 Ca 0.00 -0.58 0.00 0.00 0.09 0.00 0.00 58.65 58.16 1bq0 h GLN 60 Cb 0.00 0.18 0.00 0.00 0.08 0.00 0.00 27.48 27.74 1bq0 h GLN 60 CO 0.00 1.21 0.00 1.63 0.09 0.00 0.00 178.83 181.76 1bq0 n LYS 61 N -3.74 0.00 0.00 0.06 5.02 0.79 -3.22 118.16 117.06 1bq0 n LYS 61 Ca -0.09 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.35 1bq0 n LYS 61 Cb 0.90 0.00 0.71 0.00 -0.02 0.00 0.00 35.03 36.62 1bq0 n LYS 61 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1bq0 n ARG 62 N 0.00 1.28 -0.01 1.97 1.74 -1.26 -2.50 116.66 117.88 1bq0 n ARG 62 Ca 0.00 -0.48 0.03 0.00 -0.77 0.00 0.00 57.85 56.63 1bq0 n ARG 62 Cb 0.00 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 29.88 1bq0 n ARG 62 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bq0 n ALA 63 N -0.44 2.24 -0.10 7.54 0.00 -1.20 -4.01 120.51 124.55 1bq0 n ALA 63 Ca 0.21 -0.26 -0.17 0.00 0.00 0.00 0.00 53.44 53.21 1bq0 n ALA 63 Cb 0.24 -0.24 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 0.73 0.19 0.00 0.00 0.00 -1.81 -3.37 119.26 115.01 1bq0 h ALA 64 Ca -0.03 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.86 1bq0 h ALA 64 Cb 0.57 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1bq0 h ALA 64 CO 0.00 0.64 -0.40 1.88 0.00 0.00 0.00 179.25 181.37 1bq0 h TYR 65 N -1.00 0.00 0.00 0.00 -1.99 -1.77 0.29 116.97 112.50 1bq0 h TYR 65 Ca -0.26 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.43 1bq0 h TYR 65 Cb 1.09 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.82 1bq0 h TYR 65 CO 0.02 0.00 -0.19 0.38 -0.00 0.00 0.00 178.16 178.38 1bq0 h ASP 66 N 0.00 0.00 0.00 3.88 2.03 -1.70 -3.37 116.42 117.27 1bq0 h ASP 66 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1bq0 h ASP 66 Cb 0.99 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.49 1bq0 h ASP 66 CO 0.00 0.19 -0.81 0.00 -1.03 0.00 0.00 179.24 177.58 1bq0 n GLN 67 N -3.68 0.00 0.00 4.15 10.64 -1.22 -5.01 117.38 122.26 1bq0 n GLN 67 Ca -0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 1bq0 n GLN 67 Cb 0.31 -0.81 0.00 0.00 -0.86 0.00 0.00 30.24 28.88 1bq0 n GLN 67 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1bq0 n TYR 68 N -2.43 0.00 0.00 2.61 4.01 0.91 -4.88 117.16 117.38 1bq0 n TYR 68 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1bq0 n TYR 68 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 1bq0 n TYR 68 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bq0 n GLY 69 N 2.99 0.76 2.98 2.72 0.00 -0.49 -4.31 105.19 109.83 1bq0 n GLY 69 Ca 0.00 -0.66 -0.05 0.00 0.00 0.00 0.00 46.02 45.31 1bq0 n GLY 69 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bq0 n HIS 70 N 0.00 -2.57 -1.66 1.61 8.25 -1.26 -2.01 115.22 117.58 1bq0 n HIS 70 Ca 0.00 0.95 -0.12 0.00 -0.26 0.00 0.00 57.72 58.30 1bq0 n HIS 70 Cb 0.00 -3.92 -0.04 0.00 1.12 0.00 0.00 29.99 27.15 1bq0 n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bq0 n ALA 71 N -2.16 -0.36 -0.16 -1.41 0.00 -1.26 -4.82 120.51 110.35 1bq0 n ALA 71 Ca -0.02 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1bq0 n ALA 71 Cb 0.54 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1bq0 n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bq0 n ALA 72 N -0.44 0.00 -2.27 0.00 0.00 -0.85 -1.47 120.51 115.48 1bq0 n ALA 72 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.92 1bq0 n ALA 72 Cb 0.45 0.39 0.03 0.00 0.00 0.00 0.00 19.45 20.31 1bq0 n ALA 72 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1bq0 n PHE 73 N -2.49 2.91 -3.05 0.00 3.01 -1.26 -4.78 117.46 111.80 1bq0 n PHE 73 Ca 0.00 -2.47 0.05 0.00 1.01 0.00 0.00 57.45 56.04 1bq0 n PHE 73 Cb 0.00 -1.16 0.00 0.00 -0.01 0.00 0.00 39.48 38.31 1bq0 n PHE 73 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1bq0 s GLU 74 N -4.18 0.05 0.06 -1.08 2.56 -0.54 -5.06 118.70 110.51 1bq0 s GLU 74 Ca 0.46 0.03 -0.19 0.00 0.00 0.00 0.00 54.97 55.27 1bq0 s GLU 74 Cb 0.32 0.02 -0.08 0.00 2.00 0.00 0.00 34.13 36.39 1bq0 s GLU 74 CO -0.28 -0.09 1.31 1.96 -0.56 0.00 0.00 175.26 177.60 1bq0 h GLN 75 N 6.65 -0.38 0.00 4.30 1.08 -1.87 -3.37 115.11 121.53 1bq0 h GLN 75 Ca -0.10 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1bq0 h GLN 75 Cb 1.19 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 1bq0 h GLN 75 CO -0.14 -0.25 0.00 0.41 -0.95 0.00 0.00 178.83 177.90 1bq0 n GLY 76 N -1.26 -1.24 0.00 3.46 0.00 -1.26 -4.95 105.19 99.94 1bq0 n GLY 76 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1bq0 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93