#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 2.24 -0.41 0.00 1.02 -1.26 -5.05 119.74 116.28 1bq0 s LYS 2 Ca 0.00 -0.26 0.04 0.00 0.02 0.00 0.00 55.97 55.77 1bq0 s LYS 2 Cb 0.00 -2.18 0.11 0.00 -0.52 0.00 0.00 37.83 35.24 1bq0 s LYS 2 CO 0.00 -1.20 0.13 -0.65 -0.92 0.00 0.00 175.35 172.71 1bq0 s GLN 3 N -5.23 1.68 0.86 1.68 1.11 -1.26 -5.09 119.66 113.41 1bq0 s GLN 3 Ca 0.60 -2.14 -0.17 0.00 0.01 0.00 0.00 55.36 53.66 1bq0 s GLN 3 Cb -0.11 -3.26 -0.12 0.00 -1.01 0.00 0.00 33.01 28.51 1bq0 s GLN 3 CO 0.45 -1.00 -0.44 -3.47 0.01 0.00 0.00 175.29 170.83 1bq0 n ASP 4 N 3.86 -4.77 -0.00 5.90 2.03 -1.26 -4.90 116.55 117.40 1bq0 n ASP 4 Ca 0.04 0.33 0.07 0.00 0.52 0.00 0.00 54.79 55.75 1bq0 n ASP 4 Cb 0.39 -0.86 -0.10 0.00 -0.72 0.00 0.00 41.12 39.83 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 -2.38 0.00 0.09 -0.67 4.02 -1.26 -3.57 117.16 113.39 1bq0 n TYR 5 Ca 0.02 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.85 1bq0 n TYR 5 Cb 0.53 -0.20 0.02 0.00 -0.02 0.00 0.00 39.34 39.68 1bq0 n TYR 5 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 1bq0 h TYR 6 N 0.00 0.13 0.00 -0.72 5.03 -1.90 -3.11 116.97 116.40 1bq0 h TYR 6 Ca 0.00 -0.07 -0.13 0.00 2.58 0.00 0.00 58.73 61.11 1bq0 h TYR 6 Cb 0.51 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.76 1bq0 h TYR 6 CO 0.00 0.87 -1.16 1.49 -1.32 0.00 0.00 178.16 178.04 1bq0 h GLU 7 N 0.05 0.00 0.00 1.82 4.81 -1.76 -3.22 114.58 116.28 1bq0 h GLU 7 Ca -0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1bq0 h GLU 7 Cb 1.44 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.82 1bq0 h GLU 7 CO 0.12 0.27 -0.02 0.97 -0.73 0.00 0.00 179.01 179.62 1bq0 h ILE 8 N 0.00 0.86 -0.19 2.32 2.10 -1.59 0.11 117.51 121.12 1bq0 h ILE 8 Ca -0.11 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.77 1bq0 h ILE 8 Cb 1.44 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 38.21 1bq0 h ILE 8 CO 0.04 0.02 0.00 0.18 -1.08 0.00 0.00 178.15 177.31 1bq0 n LEU 9 N -4.30 1.77 -3.19 2.19 4.77 -1.23 -4.86 117.00 112.16 1bq0 n LEU 9 Ca -0.03 -0.89 -0.16 0.00 -0.03 0.00 0.00 56.01 54.90 1bq0 n LEU 9 Cb 0.10 -0.35 0.08 0.00 -2.33 0.00 0.00 43.42 40.93 1bq0 n LEU 9 CO 0.32 0.33 0.11 0.61 -1.33 0.00 0.00 177.39 177.43 1bq0 n GLY 10 N 0.52 -0.29 3.32 -0.72 0.00 0.38 -4.85 105.19 103.55 1bq0 n GLY 10 Ca 0.08 0.05 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.32 0.80 -0.56 1.61 1.01 -1.22 -5.06 120.40 113.67 1bq0 s VAL 11 Ca 0.06 -2.01 -0.20 0.00 0.00 0.00 0.00 61.98 59.83 1bq0 s VAL 11 Cb -0.03 -2.46 0.07 0.00 0.00 0.00 0.00 36.38 33.96 1bq0 s VAL 11 CO 0.65 -0.19 0.75 -0.55 0.00 0.00 0.00 175.10 175.76 1bq0 s SER 12 N -3.30 6.23 0.03 3.32 0.15 -1.26 -4.24 113.70 114.62 1bq0 s SER 12 Ca 0.32 -0.95 0.01 0.00 0.70 0.00 0.00 55.95 56.03 1bq0 s SER 12 Cb 0.07 -2.34 0.06 0.00 -1.71 0.00 0.00 66.02 62.10 1bq0 s SER 12 CO 0.10 -1.09 0.80 2.29 1.20 0.00 0.00 173.24 176.55 1bq0 n LYS 13 N 6.66 0.01 -0.22 5.44 2.85 -1.26 0.13 118.16 131.77 1bq0 n LYS 13 Ca -0.05 0.28 0.04 0.00 -1.05 0.00 0.00 58.31 57.53 1bq0 n LYS 13 Cb 0.45 -1.79 0.14 0.00 -0.65 0.00 0.00 35.03 33.19 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 -1.33 0.63 -0.27 0.58 -2.24 -1.26 -4.82 114.28 105.57 1bq0 n THR 14 Ca -0.00 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1bq0 n THR 14 Cb 0.26 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 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 0.33 0.00 -2.86 6.98 0.00 0.35 -5.13 120.51 120.17 1bq0 n ALA 15 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1bq0 n ALA 15 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1bq0 n ALA 15 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1bq0 n GLU 16 N 0.00 0.00 -0.19 0.00 2.13 -1.26 -4.99 120.64 116.34 1bq0 n GLU 16 Ca 0.00 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.86 1bq0 n GLU 16 Cb 0.00 0.00 0.13 0.00 0.27 0.00 0.00 31.44 31.84 1bq0 n GLU 16 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1bq0 n GLU 17 N 0.00 1.83 0.00 5.31 2.13 -1.26 -3.48 120.64 125.18 1bq0 n GLU 17 Ca 0.00 -1.07 -0.10 0.00 0.66 0.00 0.00 57.16 56.65 1bq0 n GLU 17 Cb 0.00 -1.34 -0.14 0.00 0.27 0.00 0.00 31.44 30.24 1bq0 n GLU 17 CO 0.00 0.00 0.00 0.07 -0.41 0.00 0.00 177.13 176.79 1bq0 h ARG 18 N 1.66 0.04 0.00 5.31 -0.00 -1.94 -3.27 114.38 116.18 1bq0 h ARG 18 Ca 0.00 -0.07 -0.29 0.00 -0.00 0.00 0.00 59.98 59.62 1bq0 h ARG 18 Cb 0.52 0.03 -0.05 0.00 -0.00 0.00 0.00 29.97 30.46 1bq0 h ARG 18 CO 0.04 0.70 -2.09 -1.91 -0.00 0.00 0.00 179.97 176.70 1bq0 n GLU 19 N -3.17 0.89 0.18 0.08 2.13 -1.25 -3.87 120.64 115.63 1bq0 n GLU 19 Ca -0.14 0.07 0.13 0.00 0.66 0.00 0.00 57.16 57.87 1bq0 n GLU 19 Cb 1.03 -1.39 0.65 0.00 0.27 0.00 0.00 31.44 32.00 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 0.00 0.00 0.15 6.31 5.03 -1.76 2.80 117.51 130.04 1bq0 h ILE 20 Ca -0.43 -0.05 -0.31 0.00 -0.12 0.00 0.00 64.86 63.96 1bq0 h ILE 20 Cb 1.79 0.64 0.00 0.00 -3.03 0.00 0.00 36.82 36.22 1bq0 h ILE 20 CO -0.03 0.00 -1.55 0.08 -0.68 0.00 0.00 178.15 175.97 1bq0 h ARG 21 N 0.00 0.32 0.02 2.37 0.11 -1.71 0.75 114.38 116.23 1bq0 h ARG 21 Ca 0.00 -0.54 -0.22 0.00 0.10 0.00 0.00 59.98 59.31 1bq0 h ARG 21 Cb 0.07 0.20 -0.02 0.00 1.11 0.00 0.00 29.97 31.32 1bq0 h ARG 21 CO 0.00 1.26 -1.05 -0.22 0.10 0.00 0.00 179.97 180.06 1bq0 h LYS 22 N -0.12 0.05 0.36 0.08 3.11 -1.34 -2.64 116.57 116.08 1bq0 h LYS 22 Ca -0.32 -0.08 -0.02 0.00 -2.81 0.00 0.00 60.65 57.43 1bq0 h LYS 22 Cb 1.91 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 33.18 1bq0 h LYS 22 CO 0.12 1.03 -0.17 0.00 -2.81 0.00 0.00 179.45 177.62 1bq0 h ALA 23 N 0.93 -0.49 -0.77 5.00 0.00 0.48 1.72 119.26 126.13 1bq0 h ALA 23 Ca -0.03 -0.11 0.18 0.00 0.00 0.00 0.00 54.91 54.94 1bq0 h ALA 23 Cb 1.81 0.19 -0.12 0.00 0.00 0.00 0.00 17.79 19.66 1bq0 h ALA 23 CO 0.14 -0.46 0.14 -0.92 0.00 0.00 0.00 179.25 178.15 1bq0 h TYR 24 N -1.12 0.19 0.00 0.00 5.03 -0.96 0.77 116.97 120.88 1bq0 h TYR 24 Ca -0.05 0.05 -0.04 0.00 2.58 0.00 0.00 58.73 61.27 1bq0 h TYR 24 Cb 0.39 0.04 0.00 0.00 1.55 0.00 0.00 36.73 38.71 1bq0 h TYR 24 CO 0.00 -0.16 -0.15 -0.22 -1.32 0.00 0.00 178.16 176.32 1bq0 h LYS 25 N 0.21 0.10 -0.40 1.82 3.64 -1.50 0.33 116.57 120.77 1bq0 h LYS 25 Ca 0.44 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.72 1bq0 h LYS 25 Cb 0.79 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 1bq0 h LYS 25 CO -0.58 0.87 0.27 -0.09 -2.27 0.00 0.00 179.45 177.65 1bq0 h ARG 26 N -0.62 0.50 0.04 1.90 9.65 0.35 0.16 114.38 126.35 1bq0 h ARG 26 Ca -0.02 -0.03 -0.32 0.00 -1.10 0.00 0.00 59.98 58.52 1bq0 h ARG 26 Cb 0.92 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 29.35 1bq0 h ARG 26 CO 0.03 0.33 -1.81 -0.11 2.80 0.00 0.00 179.97 181.21 1bq0 n LEU 27 N -4.48 1.40 0.07 3.80 -0.00 0.26 -4.08 117.00 113.98 1bq0 n LEU 27 Ca 0.03 0.34 -0.07 0.00 -0.00 0.00 0.00 56.01 56.31 1bq0 n LEU 27 Cb 0.09 -0.22 0.06 0.00 -0.00 0.00 0.00 43.42 43.35 1bq0 n LEU 27 CO 0.35 0.53 0.38 0.00 -0.00 0.00 0.00 177.39 178.66 1bq0 h ALA 28 N 0.72 0.69 -0.91 1.96 0.00 -0.08 -3.05 119.26 118.59 1bq0 h ALA 28 Ca -0.33 -0.61 0.26 0.00 0.00 0.00 0.00 54.91 54.23 1bq0 h ALA 28 Cb 2.02 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 19.59 1bq0 h ALA 28 CO 0.08 0.79 0.26 1.98 0.00 0.00 0.00 179.25 182.35 1bq0 h MET 29 N 0.19 0.17 0.00 0.00 1.85 -0.84 3.71 114.93 120.02 1bq0 h MET 29 Ca -0.02 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.06 1bq0 h MET 29 Cb 1.27 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 33.26 1bq0 h MET 29 CO 0.11 0.11 0.33 0.87 -0.40 0.00 0.00 176.91 177.94 1bq0 h LYS 30 N 0.18 0.00 0.00 0.39 6.56 -1.72 -2.94 116.57 119.04 1bq0 h LYS 30 Ca 0.59 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.18 1bq0 h LYS 30 Cb 1.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.91 1bq0 h LYS 30 CO -0.69 0.00 -0.09 0.66 -2.06 0.00 0.00 179.45 177.26 1bq0 n TYR 31 N -2.37 0.00 -0.73 -1.35 4.01 0.94 -5.07 117.16 112.60 1bq0 n TYR 31 Ca -0.01 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.40 1bq0 n TYR 31 Cb 0.36 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.33 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 -0.14 0.69 0.00 -0.72 8.25 1.02 -4.64 115.22 119.68 1bq0 n HIS 32 Ca 0.00 0.46 0.00 0.00 -0.26 0.00 0.00 57.72 57.92 1bq0 n HIS 32 Cb 0.00 -1.22 0.00 0.00 1.12 0.00 0.00 29.99 29.89 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 3.64 2.37 0.00 -0.41 -0.04 -1.26 -2.93 135.00 136.38 1bq0 n PRO 33 Ca 0.27 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1bq0 n PRO 33 Cb -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.44 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 -0.02 3.54 -0.08 -1.26 -2.47 116.55 116.26 1bq0 n ASP 34 Ca 0.00 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.30 1bq0 n ASP 34 Cb 0.00 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.32 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 0.00 0.66 -1.14 -0.67 1.85 -1.26 -4.26 116.66 111.84 1bq0 n ARG 35 Ca 0.00 -0.04 -0.19 0.00 -1.00 0.00 0.00 57.85 56.61 1bq0 n ARG 35 Cb 0.00 -1.59 0.20 0.00 -1.05 0.00 0.00 32.46 30.02 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 -2.56 3.94 0.00 2.89 4.13 -1.03 -4.48 115.26 118.15 1bq0 n ASN 36 Ca -0.14 -3.47 0.11 0.00 1.68 0.00 0.00 54.58 52.76 1bq0 n ASN 36 Cb 0.81 -0.81 0.65 0.00 -1.54 0.00 0.00 39.78 38.89 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 -0.88 0.72 0.34 3.52 6.02 -1.26 -2.38 117.38 123.46 1bq0 n GLN 37 Ca 0.54 0.00 0.20 0.00 -0.01 0.00 0.00 57.00 57.73 1bq0 n GLN 37 Cb 1.58 -1.48 1.07 0.00 1.02 0.00 0.00 30.24 32.43 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 3.62 0.00 0.00 1.08 0.00 -1.94 -3.25 103.07 102.58 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 -0.32 1.34 0.00 0.00 0.00 176.54 177.56 1bq0 n ASP 39 N -3.00 1.30 0.00 0.19 2.03 -1.14 -5.01 116.55 110.93 1bq0 n ASP 39 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 1bq0 n ASP 39 Cb 0.19 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 1bq0 n ASP 39 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1bq0 n LYS 40 N -1.75 -0.35 0.00 -0.67 5.02 -1.00 -4.77 118.16 114.65 1bq0 n LYS 40 Ca 0.00 0.09 0.09 0.00 -2.02 0.00 0.00 58.31 56.47 1bq0 n LYS 40 Cb 0.16 -4.14 0.50 0.00 -0.02 0.00 0.00 35.03 31.53 1bq0 n LYS 40 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1bq0 n GLU 41 N -1.54 0.37 0.07 1.97 2.13 -1.26 -2.35 120.64 120.03 1bq0 n GLU 41 Ca 0.00 0.08 -0.03 0.00 0.66 0.00 0.00 57.16 57.86 1bq0 n GLU 41 Cb 0.09 -1.50 -0.07 0.00 0.27 0.00 0.00 31.44 30.22 1bq0 n GLU 41 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bq0 h ALA 42 N 2.97 0.55 -1.16 4.31 0.00 -1.86 -3.28 119.26 120.80 1bq0 h ALA 42 Ca 0.00 -0.84 0.33 0.00 0.00 0.00 0.00 54.91 54.41 1bq0 h ALA 42 Cb 0.11 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.83 1bq0 h ALA 42 CO 0.00 1.05 0.77 1.49 0.00 0.00 0.00 179.25 182.56 1bq0 h GLU 43 N 0.00 0.23 -0.05 0.00 4.22 -1.78 0.97 114.58 118.17 1bq0 h GLU 43 Ca -0.07 -0.01 -0.21 0.00 0.08 0.00 0.00 59.36 59.15 1bq0 h GLU 43 Cb 1.66 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.85 1bq0 h GLU 43 CO 0.09 0.15 -0.83 0.00 -2.18 0.00 0.00 179.01 176.24 1bq0 h ALA 44 N 1.57 0.47 -0.59 2.92 0.00 -1.78 -2.89 119.26 118.96 1bq0 h ALA 44 Ca 0.66 -0.66 0.17 0.00 0.00 0.00 0.00 54.91 55.09 1bq0 h ALA 44 Cb 1.97 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 1bq0 h ALA 44 CO -0.28 0.78 0.61 -0.22 0.00 0.00 0.00 179.25 180.15 1bq0 h LYS 45 N 0.27 0.00 -0.10 0.00 3.64 0.84 2.40 116.57 123.63 1bq0 h LYS 45 Ca -0.05 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1bq0 h LYS 45 Cb 1.44 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.26 1bq0 h LYS 45 CO 0.15 0.00 0.08 0.74 -2.27 0.00 0.00 179.45 178.15 1bq0 h PHE 46 N 0.00 0.00 0.00 1.91 -1.00 -1.36 1.76 116.94 118.25 1bq0 h PHE 46 Ca 0.28 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.06 1bq0 h PHE 46 Cb 1.50 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.06 1bq0 h PHE 46 CO 0.00 0.00 0.00 0.36 -1.61 0.00 0.00 178.31 177.06 1bq0 n LYS 47 N -4.21 0.24 -0.02 1.51 2.85 0.81 0.32 118.16 119.65 1bq0 n LYS 47 Ca -0.01 0.30 -0.16 0.00 -1.05 0.00 0.00 58.31 57.39 1bq0 n LYS 47 Cb 0.19 -1.84 -0.14 0.00 -0.65 0.00 0.00 35.03 32.59 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 -2.27 0.70 -0.05 -1.58 -0.58 0.57 -3.77 120.64 113.67 1bq0 n GLU 48 Ca 0.04 0.25 -0.07 0.00 -0.42 0.00 0.00 57.16 56.96 1bq0 n GLU 48 Cb 0.35 -1.71 -0.04 0.00 -0.57 0.00 0.00 31.44 29.47 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 -3.27 0.52 0.20 -3.67 -0.00 0.42 -3.71 119.36 109.84 1bq0 n ILE 49 Ca -0.28 -0.19 0.08 0.00 -0.00 0.00 0.00 62.75 62.36 1bq0 n ILE 49 Cb 1.05 -0.95 0.30 0.00 -0.00 0.00 0.00 39.64 40.05 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 -0.05 0.00 0.00 0.38 3.64 0.49 2.51 116.57 123.54 1bq0 h LYS 50 Ca -0.21 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 58.89 1bq0 h LYS 50 Cb 1.30 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.07 1bq0 h LYS 50 CO -0.05 0.30 -1.66 1.49 -2.27 0.00 0.00 179.45 177.26 1bq0 h GLU 51 N 0.00 0.00 0.00 1.90 4.57 0.94 -2.84 114.58 119.15 1bq0 h GLU 51 Ca -0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 1bq0 h GLU 51 Cb 0.96 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.55 1bq0 h GLU 51 CO 0.04 0.49 -0.52 0.00 -1.18 0.00 0.00 179.01 177.84 1bq0 h ALA 52 N 1.03 0.05 0.00 2.92 0.00 -1.59 -3.35 119.26 118.32 1bq0 h ALA 52 Ca -0.27 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1bq0 h ALA 52 Cb 1.98 0.42 0.00 0.00 0.00 0.00 0.00 17.79 20.19 1bq0 h ALA 52 CO 0.08 0.41 0.00 2.48 0.00 0.00 0.00 179.25 182.22 1bq0 n TYR 53 N -4.62 0.00 0.22 0.00 4.11 0.84 -2.83 117.16 114.88 1bq0 n TYR 53 Ca -0.10 0.00 0.05 0.00 -0.00 0.00 0.00 57.90 57.84 1bq0 n TYR 53 Cb 0.30 -0.10 0.49 0.00 -0.00 0.00 0.00 39.34 40.02 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 0.01 -0.10 -3.48 4.81 -1.42 -1.71 114.58 112.69 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 0.05 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1bq0 h GLU 54 CO 0.00 0.20 0.00 1.33 -0.73 0.00 0.00 179.01 179.81 1bq0 n VAL 55 N -4.30 0.10 1.64 0.32 0.24 -1.13 -4.16 118.33 111.04 1bq0 n VAL 55 Ca -0.02 -0.55 0.11 0.00 -2.04 0.00 0.00 64.34 61.84 1bq0 n VAL 55 Cb 0.26 1.39 0.67 0.00 -1.47 0.00 0.00 33.84 34.69 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 1.34 0.00 -0.01 1.34 4.32 -0.64 -2.84 117.00 120.51 1bq0 n LEU 56 Ca 0.15 0.00 0.01 0.00 -0.02 0.00 0.00 56.01 56.14 1bq0 n LEU 56 Cb 0.59 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.34 1bq0 n LEU 56 CO 0.15 0.00 -0.61 1.07 -1.22 0.00 0.00 177.39 176.77 1bq0 n THR 57 N -0.93 0.15 -3.24 -5.08 5.66 -1.26 -4.09 114.28 105.49 1bq0 n THR 57 Ca 0.17 -0.18 -0.19 0.00 -3.05 0.00 0.00 64.05 60.80 1bq0 n THR 57 Cb 0.08 -0.10 0.00 0.00 -1.55 0.00 0.00 70.33 68.76 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 -3.07 5.84 -0.11 1.09 -1.08 -1.13 -4.88 116.67 113.33 1bq0 s ASP 58 Ca -0.02 -0.13 0.08 0.00 -0.52 0.00 0.00 52.55 51.95 1bq0 s ASP 58 Cb 0.03 -1.15 -0.13 0.00 -1.46 0.00 0.00 42.92 40.21 1bq0 s ASP 58 CO 0.24 -0.59 0.01 -1.54 0.52 0.00 0.00 175.17 173.81 1bq0 n SER 59 N -1.81 2.45 0.23 -0.34 3.41 -1.26 -3.94 113.62 112.36 1bq0 n SER 59 Ca 0.02 -0.01 0.07 0.00 -0.26 0.00 0.00 58.87 58.69 1bq0 n SER 59 Cb 0.58 0.60 0.54 0.00 -0.26 0.00 0.00 64.21 65.67 1bq0 n SER 59 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1bq0 h GLN 60 N 0.00 0.00 0.10 4.33 3.07 -1.96 -2.92 115.11 117.73 1bq0 h GLN 60 Ca -0.29 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.19 1bq0 h GLN 60 Cb 1.63 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 29.18 1bq0 h GLN 60 CO 0.01 0.21 -1.34 0.87 0.09 0.00 0.00 178.83 178.67 1bq0 h LYS 61 N 0.00 0.21 -0.91 0.06 1.57 -1.88 -3.08 116.57 112.54 1bq0 h LYS 61 Ca -0.00 -0.35 0.26 0.00 -1.87 0.00 0.00 60.65 58.69 1bq0 h LYS 61 Cb 0.42 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 1bq0 h LYS 61 CO 0.03 1.17 0.87 0.00 -0.57 0.00 0.00 179.45 180.95 1bq0 h ARG 62 N -0.40 0.00 0.11 3.15 2.47 -1.64 2.71 114.38 120.77 1bq0 h ARG 62 Ca -0.30 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.13 1bq0 h ARG 62 Cb 1.68 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.99 1bq0 h ARG 62 CO 0.03 0.00 -1.45 0.00 0.56 0.00 0.00 179.97 179.10 1bq0 h ALA 63 N 1.11 0.25 0.04 0.04 0.00 -1.57 -1.69 119.26 117.45 1bq0 h ALA 63 Ca 0.43 -1.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 1bq0 h ALA 63 Cb 2.17 0.21 0.00 0.00 0.00 0.00 0.00 17.79 20.17 1bq0 h ALA 63 CO -0.00 1.12 -0.02 0.00 0.00 0.00 0.00 179.25 180.35 1bq0 h ALA 64 N 0.55 -0.06 0.00 0.00 0.00 0.39 -3.26 119.26 116.87 1bq0 h ALA 64 Ca -0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1bq0 h ALA 64 Cb 2.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1bq0 h ALA 64 CO 0.17 -0.06 0.11 -0.92 0.00 0.00 0.00 179.25 178.54 1bq0 h TYR 65 N -0.71 0.00 -0.97 0.00 3.20 0.29 0.21 116.97 118.98 1bq0 h TYR 65 Ca -0.00 0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.09 1bq0 h TYR 65 Cb 0.04 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.22 1bq0 h TYR 65 CO 0.00 0.00 0.63 0.22 -1.64 0.00 0.00 178.16 177.37 1bq0 h ASP 66 N 0.00 0.50 0.00 -2.11 3.58 -1.31 -3.27 116.42 113.80 1bq0 h ASP 66 Ca 0.00 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1bq0 h ASP 66 Cb 0.21 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.24 1bq0 h ASP 66 CO 0.00 0.16 0.00 0.00 -2.88 0.00 0.00 179.24 176.52 1bq0 n GLN 67 N -4.59 0.00 -1.89 0.28 10.64 -0.58 -5.07 117.38 116.16 1bq0 n GLN 67 Ca 0.22 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.33 1bq0 n GLN 67 Cb 0.73 -0.32 0.01 0.00 -0.86 0.00 0.00 30.24 29.80 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 0.00 -1.77 0.00 2.61 4.02 0.65 -4.90 117.16 117.77 1bq0 n TYR 68 Ca 0.00 -0.56 0.00 0.00 -0.01 0.00 0.00 57.90 57.33 1bq0 n TYR 68 Cb 0.17 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.37 1bq0 n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1bq0 n GLY 69 N 3.32 -1.80 2.29 2.72 0.00 -1.26 -4.59 105.19 105.86 1bq0 n GLY 69 Ca 0.01 0.71 -0.04 0.00 0.00 0.00 0.00 46.02 46.70 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 -2.08 -1.84 1.61 8.25 -1.26 -3.43 115.22 116.46 1bq0 n HIS 70 Ca 0.00 0.85 -0.10 0.00 -0.26 0.00 0.00 57.72 58.20 1bq0 n HIS 70 Cb 0.00 -3.02 -0.03 0.00 1.12 0.00 0.00 29.99 28.06 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 -0.31 -0.47 -0.31 -1.41 0.00 -1.26 -4.76 120.51 111.98 1bq0 n ALA 71 Ca 0.06 0.13 0.05 0.00 0.00 0.00 0.00 53.44 53.68 1bq0 n ALA 71 Cb 0.25 -1.24 0.12 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.97 0.20 -0.51 0.00 0.00 -1.22 -3.57 120.51 114.44 1bq0 n ALA 72 Ca -0.11 0.95 0.00 0.00 0.00 0.00 0.00 53.44 54.28 1bq0 n ALA 72 Cb 0.46 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 -5.41 0.00 0.00 0.00 3.72 -1.26 -4.90 117.46 109.61 1bq0 n PHE 73 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 1bq0 n PHE 73 Cb 0.43 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 1bq0 n PHE 73 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1bq0 n GLU 74 N -1.84 0.00 0.00 -1.08 0.00 -1.23 -4.36 120.64 112.12 1bq0 n GLU 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1bq0 n GLU 74 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1bq0 n GLU 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1bq0 n GLN 75 N 0.00 0.00 0.29 5.31 6.02 -1.26 -3.26 117.38 124.48 1bq0 n GLN 75 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.14 1bq0 n GLN 75 Cb 0.00 -0.81 0.72 0.00 1.02 0.00 0.00 30.24 31.17 1bq0 n GLN 75 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1bq0 h GLY 76 N 0.00 0.00 0.00 1.08 0.00 -1.98 -3.56 103.07 98.61 1bq0 h GLY 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1bq0 h GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15