#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 3.36 -5.19 0.00 5.02 -1.26 -5.02 118.16 115.07 1bq0 n LYS 2 Ca 0.00 -4.40 -0.32 0.00 -2.02 0.00 0.00 58.31 51.57 1bq0 n LYS 2 Cb 0.00 -2.21 -0.17 0.00 -0.02 0.00 0.00 35.03 32.63 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 -3.54 2.91 0.22 1.97 1.11 -1.26 -5.12 119.66 115.95 1bq0 s GLN 3 Ca 0.48 -0.86 -0.03 0.00 0.01 0.00 0.00 55.36 54.96 1bq0 s GLN 3 Cb 0.40 -2.23 0.05 0.00 -1.01 0.00 0.00 33.01 30.22 1bq0 s GLN 3 CO -0.15 0.20 0.10 -3.47 0.01 0.00 0.00 175.29 171.99 1bq0 n ASP 4 N 3.46 -1.64 0.00 5.90 2.03 -1.26 -4.99 116.55 120.05 1bq0 n ASP 4 Ca -0.19 -0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.01 1bq0 n ASP 4 Cb 0.53 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 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 -3.03 0.00 -0.09 -0.67 4.02 -1.26 -4.52 117.16 111.61 1bq0 n TYR 5 Ca 0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.82 1bq0 n TYR 5 Cb 0.07 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.46 1bq0 n TYR 5 CO 0.00 0.00 0.00 0.10 -1.01 0.00 0.00 176.86 175.95 1bq0 h TYR 6 N 0.00 0.92 0.00 -0.72 -0.00 -1.94 -2.70 116.97 112.53 1bq0 h TYR 6 Ca 0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 58.73 58.38 1bq0 h TYR 6 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 36.73 36.50 1bq0 h TYR 6 CO 0.00 0.97 -0.81 0.93 -0.00 0.00 0.00 178.16 179.26 1bq0 h GLU 7 N 0.69 0.00 -1.20 0.10 4.39 -1.88 -3.09 114.58 113.59 1bq0 h GLU 7 Ca 0.09 0.00 0.35 0.00 0.34 0.00 0.00 59.36 60.13 1bq0 h GLU 7 Cb 0.79 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.40 1bq0 h GLU 7 CO 0.07 0.41 0.87 0.82 -1.16 0.00 0.00 179.01 180.02 1bq0 h ILE 8 N 0.00 0.38 -0.63 3.13 2.04 -1.71 2.10 117.51 122.82 1bq0 h ILE 8 Ca -0.05 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.57 1bq0 h ILE 8 Cb 1.43 0.39 -0.14 0.00 -0.74 0.00 0.00 36.82 37.76 1bq0 h ILE 8 CO 0.06 0.00 0.23 0.18 0.00 0.00 0.00 178.15 178.62 1bq0 n LEU 9 N -4.14 5.47 -3.40 1.44 4.77 -1.23 -4.96 117.00 114.95 1bq0 n LEU 9 Ca 0.26 -3.39 -0.23 0.00 -0.03 0.00 0.00 56.01 52.62 1bq0 n LEU 9 Cb 1.27 -0.71 0.02 0.00 -2.33 0.00 0.00 43.42 41.66 1bq0 n LEU 9 CO 0.40 0.94 -0.10 0.61 -1.33 0.00 0.00 177.39 177.90 1bq0 n GLY 10 N -0.61 -0.80 0.00 -0.72 0.00 0.71 -4.75 105.19 99.02 1bq0 n GLY 10 Ca 0.40 0.90 0.00 0.00 0.00 0.00 0.00 46.02 47.32 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 -1.23 0.00 0.00 1.61 0.31 -1.17 -4.92 118.33 112.93 1bq0 n VAL 11 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1bq0 n VAL 11 Cb 0.62 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 1bq0 n VAL 11 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1bq0 n SER 12 N 0.00 0.35 0.00 4.52 7.64 -1.26 -4.83 113.62 120.04 1bq0 n SER 12 Ca 0.00 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1bq0 n SER 12 Cb 0.00 0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 1bq0 n SER 12 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1bq0 n LYS 13 N -0.34 0.00 0.01 1.43 2.85 -1.26 -4.45 118.16 116.41 1bq0 n LYS 13 Ca 0.00 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.38 1bq0 n LYS 13 Cb 0.00 -0.10 0.32 0.00 -0.65 0.00 0.00 35.03 34.59 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 0.07 0.00 0.58 -2.24 -1.26 -4.85 114.28 106.58 1bq0 n THR 14 Ca 0.00 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1bq0 n THR 14 Cb 0.00 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 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 -1.56 0.00 -2.00 6.98 0.00 -1.26 -5.06 120.51 117.61 1bq0 n ALA 15 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1bq0 n ALA 15 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.08 0.00 0.00 0.00 1.02 -1.25 -4.70 120.64 115.63 1bq0 n GLU 16 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 1bq0 n GLU 16 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.28 1bq0 n GLU 16 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1bq0 n GLU 17 N 0.00 0.75 -0.30 3.49 -0.58 -1.26 -3.58 120.64 119.16 1bq0 n GLU 17 Ca 0.00 0.26 0.11 0.00 -0.42 0.00 0.00 57.16 57.12 1bq0 n GLU 17 Cb 0.00 -1.72 0.22 0.00 -0.57 0.00 0.00 31.44 29.38 1bq0 n GLU 17 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1bq0 n ARG 18 N -3.44 -0.07 -0.08 3.49 -4.01 -1.26 0.25 116.66 111.54 1bq0 n ARG 18 Ca -0.31 1.28 -0.17 0.00 -1.04 0.00 0.00 57.85 57.61 1bq0 n ARG 18 Cb 1.05 -2.01 -0.13 0.00 -3.04 0.00 0.00 32.46 28.33 1bq0 n ARG 18 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 1bq0 n GLU 19 N -5.25 0.68 0.28 2.89 2.13 -1.26 -3.52 120.64 116.59 1bq0 n GLU 19 Ca 0.19 0.17 0.19 0.00 0.66 0.00 0.00 57.16 58.37 1bq0 n GLU 19 Cb 0.61 -1.59 0.97 0.00 0.27 0.00 0.00 31.44 31.70 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 0.02 0.00 0.00 6.31 5.03 -1.30 2.78 117.51 130.34 1bq0 h ILE 20 Ca -0.52 -0.10 -0.06 0.00 -0.12 0.00 0.00 64.86 64.06 1bq0 h ILE 20 Cb 1.99 0.99 -0.01 0.00 -3.03 0.00 0.00 36.82 36.75 1bq0 h ILE 20 CO -0.02 0.00 -1.03 0.08 -0.68 0.00 0.00 178.15 176.51 1bq0 h ARG 21 N 0.00 0.00 0.00 2.37 0.11 0.33 -1.35 114.38 115.84 1bq0 h ARG 21 Ca 0.00 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.91 1bq0 h ARG 21 Cb 0.11 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.16 1bq0 h ARG 21 CO 0.00 0.12 -2.02 1.17 0.10 0.00 0.00 179.97 179.34 1bq0 n LYS 22 N -2.81 0.93 0.01 0.08 0.00 -0.22 -3.81 118.16 112.33 1bq0 n LYS 22 Ca -0.03 -0.08 -0.19 0.00 0.00 0.00 0.00 58.31 58.01 1bq0 n LYS 22 Cb 0.65 -1.44 -0.14 0.00 0.00 0.00 0.00 35.03 34.11 1bq0 n LYS 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bq0 h ALA 23 N 1.21 -0.01 -0.44 3.14 0.00 0.47 0.13 119.26 123.76 1bq0 h ALA 23 Ca -0.25 -0.75 0.02 0.00 0.00 0.00 0.00 54.91 53.92 1bq0 h ALA 23 Cb 1.51 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 1bq0 h ALA 23 CO 0.01 0.40 0.26 -0.92 0.00 0.00 0.00 179.25 179.00 1bq0 h TYR 24 N -0.51 0.48 0.04 0.00 5.03 -1.35 0.82 116.97 121.47 1bq0 h TYR 24 Ca -0.15 0.02 -0.26 0.00 2.58 0.00 0.00 58.73 60.91 1bq0 h TYR 24 Cb 1.52 -0.15 0.02 0.00 1.55 0.00 0.00 36.73 39.66 1bq0 h TYR 24 CO 0.20 0.28 -1.07 -0.22 -1.32 0.00 0.00 178.16 176.02 1bq0 h LYS 25 N 0.52 0.56 -0.47 1.82 3.64 -1.67 -0.06 116.57 120.91 1bq0 h LYS 25 Ca 0.18 -0.65 -0.09 0.00 -1.27 0.00 0.00 60.65 58.81 1bq0 h LYS 25 Cb 0.02 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1bq0 h LYS 25 CO -0.09 1.26 -0.09 -0.09 -2.27 0.00 0.00 179.45 178.18 1bq0 h ARG 26 N 0.29 0.84 0.01 1.90 9.65 -0.45 -1.32 114.38 125.30 1bq0 h ARG 26 Ca -0.13 -0.28 -0.30 0.00 -1.10 0.00 0.00 59.98 58.18 1bq0 h ARG 26 Cb 1.73 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 30.19 1bq0 h ARG 26 CO 0.20 0.90 -1.77 -0.11 2.80 0.00 0.00 179.97 181.98 1bq0 n LEU 27 N -4.17 0.93 0.12 3.80 -0.00 0.26 -4.04 117.00 113.90 1bq0 n LEU 27 Ca 0.02 0.38 -0.02 0.00 -0.00 0.00 0.00 56.01 56.38 1bq0 n LEU 27 Cb 0.36 0.11 0.10 0.00 -0.00 0.00 0.00 43.42 43.99 1bq0 n LEU 27 CO 0.43 0.42 0.41 0.00 -0.00 0.00 0.00 177.39 178.66 1bq0 h ALA 28 N 0.94 0.81 -0.83 1.96 0.00 -1.02 -3.09 119.26 118.04 1bq0 h ALA 28 Ca -0.31 -0.64 0.21 0.00 0.00 0.00 0.00 54.91 54.17 1bq0 h ALA 28 Cb 2.03 -0.11 -0.13 0.00 0.00 0.00 0.00 17.79 19.57 1bq0 h ALA 28 CO 0.08 0.88 0.18 1.98 0.00 0.00 0.00 179.25 182.36 1bq0 h MET 29 N 0.00 0.20 0.00 0.00 1.85 -1.37 3.77 114.93 119.38 1bq0 h MET 29 Ca -0.01 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.07 1bq0 h MET 29 Cb 1.27 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 33.25 1bq0 h MET 29 CO 0.09 0.13 0.37 0.87 -0.40 0.00 0.00 176.91 177.98 1bq0 h LYS 30 N 0.20 0.00 0.00 0.39 6.56 -1.74 -2.50 116.57 119.49 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 0.96 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.62 1bq0 h LYS 30 CO -0.63 0.00 -0.47 0.66 -2.06 0.00 0.00 179.45 176.95 1bq0 n TYR 31 N -2.49 0.00 -0.48 -1.35 4.01 0.95 -5.03 117.16 112.76 1bq0 n TYR 31 Ca -0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.63 1bq0 n TYR 31 Cb 0.41 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.37 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 -0.76 0.09 0.24 -0.72 8.25 1.04 -4.64 115.22 118.71 1bq0 n HIS 32 Ca 0.00 0.06 0.08 0.00 -0.26 0.00 0.00 57.72 57.60 1bq0 n HIS 32 Cb 0.02 -0.45 0.60 0.00 1.12 0.00 0.00 29.99 31.28 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 3.64 0.00 -0.98 -0.41 0.13 -1.86 -1.05 132.00 131.46 1bq0 h PRO 33 Ca -0.00 0.00 0.41 0.00 -0.87 0.00 0.00 66.00 65.54 1bq0 h PRO 33 Cb 0.39 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.34 1bq0 h PRO 33 CO 0.48 0.13 0.52 -3.47 -0.23 0.00 0.00 178.00 175.44 1bq0 n ASP 34 N -4.18 0.34 -0.05 1.44 2.03 -1.26 0.47 116.55 115.34 1bq0 n ASP 34 Ca -0.02 1.63 -0.02 0.00 0.52 0.00 0.00 54.79 56.90 1bq0 n ASP 34 Cb 0.21 -0.79 -0.12 0.00 -0.72 0.00 0.00 41.12 39.70 1bq0 n ASP 34 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1bq0 n ARG 35 N -5.23 1.21 -1.25 -0.67 1.85 -1.08 -4.53 116.66 106.97 1bq0 n ARG 35 Ca 0.37 -0.05 -0.28 0.00 -1.00 0.00 0.00 57.85 56.89 1bq0 n ARG 35 Cb 1.26 -1.38 0.04 0.00 -1.05 0.00 0.00 32.46 31.33 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 -2.38 7.07 0.00 2.89 4.13 0.18 -4.52 115.26 122.63 1bq0 n ASN 36 Ca -0.17 -3.45 0.13 0.00 1.68 0.00 0.00 54.58 52.78 1bq0 n ASN 36 Cb 0.79 -1.05 0.80 0.00 -1.54 0.00 0.00 39.78 38.77 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 -0.17 0.92 0.30 3.52 3.00 0.42 -2.34 117.38 123.04 1bq0 n GLN 37 Ca 0.48 0.00 0.20 0.00 -0.01 0.00 0.00 57.00 57.67 1bq0 n GLN 37 Cb 0.57 -1.46 1.05 0.00 0.00 0.00 0.00 30.24 30.40 1bq0 n GLN 37 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 1bq0 h GLY 38 N 4.68 0.00 0.00 1.08 0.00 -1.86 -3.26 103.07 103.72 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 -0.31 1.34 0.00 0.00 0.00 176.54 177.57 1bq0 n ASP 39 N -2.88 1.28 0.00 0.19 2.03 -1.19 -5.00 116.55 110.98 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 0.10 0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 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 -1.72 -0.37 0.04 -0.67 5.02 -0.99 -4.76 118.16 114.71 1bq0 n LYS 40 Ca 0.00 0.09 0.05 0.00 -2.02 0.00 0.00 58.31 56.44 1bq0 n LYS 40 Cb 0.16 -4.23 0.24 0.00 -0.02 0.00 0.00 35.03 31.18 1bq0 n LYS 40 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1bq0 n GLU 41 N -1.49 0.04 0.18 1.97 0.28 -1.26 -0.94 120.64 119.41 1bq0 n GLU 41 Ca 0.00 0.42 0.06 0.00 -0.16 0.00 0.00 57.16 57.48 1bq0 n GLU 41 Cb 0.09 -1.60 0.24 0.00 1.43 0.00 0.00 31.44 31.60 1bq0 n GLU 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1bq0 h ALA 42 N 2.21 0.87 -1.54 -1.84 0.00 -1.86 -3.16 119.26 113.94 1bq0 h ALA 42 Ca 0.00 -0.33 0.48 0.00 0.00 0.00 0.00 54.91 55.06 1bq0 h ALA 42 Cb 0.13 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 17.76 1bq0 h ALA 42 CO 0.00 0.45 1.05 1.49 0.00 0.00 0.00 179.25 182.24 1bq0 h GLU 43 N 0.00 0.04 0.20 0.00 4.81 -1.37 1.09 114.58 119.35 1bq0 h GLU 43 Ca -0.00 -0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 1bq0 h GLU 43 Cb 1.06 -0.01 0.03 0.00 0.63 0.00 0.00 28.75 30.46 1bq0 h GLU 43 CO 0.05 0.02 -1.20 0.00 -0.73 0.00 0.00 179.01 177.15 1bq0 h ALA 44 N 1.39 -0.12 -1.08 2.92 0.00 -1.77 -3.21 119.26 117.39 1bq0 h ALA 44 Ca 0.86 -0.79 0.31 0.00 0.00 0.00 0.00 54.91 55.29 1bq0 h ALA 44 Cb 3.00 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 20.89 1bq0 h ALA 44 CO -0.27 0.57 0.84 -0.22 0.00 0.00 0.00 179.25 180.17 1bq0 h LYS 45 N -0.04 0.00 -0.51 0.00 1.63 0.11 2.22 116.57 119.98 1bq0 h LYS 45 Ca -0.21 0.00 0.11 0.00 -0.85 0.00 0.00 60.65 59.70 1bq0 h LYS 45 Cb 1.94 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.55 1bq0 h LYS 45 CO 0.23 0.00 0.35 0.74 -3.45 0.00 0.00 179.45 177.32 1bq0 h PHE 46 N 0.00 0.22 0.00 1.91 -1.00 -1.48 2.33 116.94 118.92 1bq0 h PHE 46 Ca 0.51 0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.30 1bq0 h PHE 46 Cb 2.19 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 41.68 1bq0 h PHE 46 CO 0.00 0.10 0.00 0.36 -1.61 0.00 0.00 178.31 177.16 1bq0 n LYS 47 N -4.45 0.03 -0.02 1.51 -0.00 0.75 0.29 118.16 116.27 1bq0 n LYS 47 Ca 0.08 0.25 -0.16 0.00 -0.00 0.00 0.00 58.31 58.48 1bq0 n LYS 47 Cb 0.43 -1.50 -0.14 0.00 -0.00 0.00 0.00 35.03 33.82 1bq0 n LYS 47 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1bq0 n GLU 48 N -1.47 0.70 -0.06 -1.58 -0.58 0.78 -3.70 120.64 114.72 1bq0 n GLU 48 Ca 0.04 0.25 -0.10 0.00 -0.42 0.00 0.00 57.16 56.93 1bq0 n GLU 48 Cb 0.16 -1.72 -0.05 0.00 -0.57 0.00 0.00 31.44 29.26 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 -3.26 0.68 0.20 -3.67 -0.00 -0.88 -3.72 119.36 108.69 1bq0 n ILE 49 Ca -0.27 -0.23 0.08 0.00 -0.00 0.00 0.00 62.75 62.33 1bq0 n ILE 49 Cb 1.05 -1.18 0.34 0.00 -0.00 0.00 0.00 39.64 39.85 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 -0.16 0.00 0.00 0.38 3.11 0.41 2.48 116.57 122.79 1bq0 h LYS 50 Ca -0.28 0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.29 1bq0 h LYS 50 Cb 1.36 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 32.54 1bq0 h LYS 50 CO -0.09 0.30 -1.59 1.49 -2.81 0.00 0.00 179.45 176.75 1bq0 h GLU 51 N 0.00 0.00 0.00 1.90 4.57 -1.17 -2.93 114.58 116.94 1bq0 h GLU 51 Ca -0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1bq0 h GLU 51 Cb 0.91 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.50 1bq0 h GLU 51 CO 0.04 0.51 -0.56 0.00 -1.18 0.00 0.00 179.01 177.82 1bq0 h ALA 52 N 1.06 0.05 0.00 2.92 0.00 -1.59 -3.36 119.26 118.33 1bq0 h ALA 52 Ca -0.24 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1bq0 h ALA 52 Cb 1.93 0.47 0.00 0.00 0.00 0.00 0.00 17.79 20.19 1bq0 h ALA 52 CO 0.08 0.46 0.00 2.48 0.00 0.00 0.00 179.25 182.27 1bq0 n TYR 53 N -4.61 0.00 0.24 0.00 4.11 0.83 -2.59 117.16 115.14 1bq0 n TYR 53 Ca -0.11 0.00 0.11 0.00 -0.00 0.00 0.00 57.90 57.90 1bq0 n TYR 53 Cb 0.31 -0.10 0.57 0.00 -0.00 0.00 0.00 39.34 40.12 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 -0.01 -3.48 4.81 -1.48 -2.86 114.58 111.57 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 0.18 -0.17 1.33 -0.73 0.00 0.00 179.01 179.62 1bq0 n VAL 55 N -3.47 0.00 0.51 0.32 0.24 -1.07 -4.47 118.33 110.39 1bq0 n VAL 55 Ca -0.01 -0.41 0.05 0.00 -2.04 0.00 0.00 64.34 61.93 1bq0 n VAL 55 Cb 0.35 1.15 0.25 0.00 -1.47 0.00 0.00 33.84 34.12 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 -0.07 0.00 -0.04 1.34 4.77 -1.08 -1.64 117.00 120.29 1bq0 n LEU 56 Ca 0.05 0.16 0.01 0.00 -0.03 0.00 0.00 56.01 56.20 1bq0 n LEU 56 Cb 0.23 -0.16 -0.12 0.00 -2.33 0.00 0.00 43.42 41.04 1bq0 n LEU 56 CO 0.12 -0.11 -0.82 1.07 -1.33 0.00 0.00 177.39 176.32 1bq0 n THR 57 N -1.16 0.44 -3.15 -5.08 5.66 -1.26 -3.88 114.28 105.86 1bq0 n THR 57 Ca 0.06 -0.48 -0.21 0.00 -3.05 0.00 0.00 64.05 60.37 1bq0 n THR 57 Cb 0.05 -0.19 0.06 0.00 -1.55 0.00 0.00 70.33 68.70 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 -4.26 4.99 -0.04 1.09 2.15 -0.65 -4.90 116.67 115.04 1bq0 s ASP 58 Ca -0.06 -0.95 -0.03 0.00 0.43 0.00 0.00 52.55 51.94 1bq0 s ASP 58 Cb 0.08 0.42 -0.02 0.00 -0.30 0.00 0.00 42.92 43.10 1bq0 s ASP 58 CO 0.64 -1.38 -0.07 -1.54 -0.17 0.00 0.00 175.17 172.65 1bq0 n SER 59 N -2.23 0.49 -0.29 -0.34 3.41 -1.26 -4.26 113.62 109.14 1bq0 n SER 59 Ca 0.14 0.08 0.32 0.00 -0.26 0.00 0.00 58.87 59.15 1bq0 n SER 59 Cb 0.62 -0.19 0.70 0.00 -0.26 0.00 0.00 64.21 65.08 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 -0.20 0.07 0.23 4.33 3.07 -1.98 0.33 115.11 120.96 1bq0 h GLN 60 Ca -0.13 -0.00 -0.33 0.00 0.09 0.00 0.00 58.65 58.27 1bq0 h GLN 60 Cb 1.02 -0.02 0.03 0.00 0.08 0.00 0.00 27.48 28.59 1bq0 h GLN 60 CO -0.08 0.05 -1.52 0.87 0.09 0.00 0.00 178.83 178.24 1bq0 h LYS 61 N 0.07 0.48 -0.90 0.06 1.57 -1.88 -3.10 116.57 112.87 1bq0 h LYS 61 Ca 0.54 -0.82 0.26 0.00 -1.87 0.00 0.00 60.65 58.77 1bq0 h LYS 61 Cb 2.01 0.30 -0.04 0.00 0.08 0.00 0.00 32.23 34.59 1bq0 h LYS 61 CO -0.06 1.39 0.94 0.00 -0.57 0.00 0.00 179.45 181.14 1bq0 h ARG 62 N 0.13 0.00 0.00 3.15 2.47 -0.52 2.59 114.38 122.20 1bq0 h ARG 62 Ca -0.26 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.18 1bq0 h ARG 62 Cb 2.14 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 30.41 1bq0 h ARG 62 CO 0.25 0.00 -1.74 0.00 0.56 0.00 0.00 179.97 179.04 1bq0 n ALA 63 N -2.37 1.59 -0.09 0.04 0.00 -1.12 -3.06 120.51 115.51 1bq0 n ALA 63 Ca 0.20 -0.79 -0.20 0.00 0.00 0.00 0.00 53.44 52.64 1bq0 n ALA 63 Cb 1.23 -0.79 -0.12 0.00 0.00 0.00 0.00 19.45 19.77 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 1.09 0.21 -0.14 0.00 0.00 0.33 -3.37 119.26 117.38 1bq0 h ALA 64 Ca -0.29 -1.06 -0.09 0.00 0.00 0.00 0.00 54.91 53.47 1bq0 h ALA 64 Cb 1.95 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 20.30 1bq0 h ALA 64 CO 0.07 0.57 -0.33 0.10 0.00 0.00 0.00 179.25 179.65 1bq0 h TYR 65 N -0.95 0.31 0.00 0.00 -0.00 0.33 1.11 116.97 117.77 1bq0 h TYR 65 Ca -0.27 -0.07 0.00 0.00 -0.00 0.00 0.00 58.73 58.39 1bq0 h TYR 65 Cb 1.27 -0.07 0.00 0.00 -0.00 0.00 0.00 36.73 37.93 1bq0 h TYR 65 CO 0.14 0.58 0.00 -0.40 -0.00 0.00 0.00 178.16 178.48 1bq0 n ASP 66 N -4.09 0.17 0.00 0.10 5.75 -1.17 -4.03 116.55 113.27 1bq0 n ASP 66 Ca -0.01 0.54 0.00 0.00 -0.01 0.00 0.00 54.79 55.31 1bq0 n ASP 66 Cb 0.43 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 1bq0 n ASP 66 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bq0 n GLN 67 N -1.68 0.00 -1.08 0.11 6.02 -1.08 -4.87 117.38 114.80 1bq0 n GLN 67 Ca 0.03 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.82 1bq0 n GLN 67 Cb 0.20 -0.44 0.01 0.00 1.02 0.00 0.00 30.24 31.03 1bq0 n GLN 67 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1bq0 n TYR 68 N -1.40 1.60 0.00 1.08 4.01 0.38 -4.96 117.16 117.87 1bq0 n TYR 68 Ca 0.00 -2.00 0.00 0.00 -0.16 0.00 0.00 57.90 55.74 1bq0 n TYR 68 Cb 0.00 -1.11 0.00 0.00 -0.31 0.00 0.00 39.34 37.92 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 0.48 1.80 2.96 2.72 0.00 -1.25 -1.50 105.19 110.40 1bq0 n GLY 69 Ca 0.37 0.60 -0.30 0.00 0.00 0.00 0.00 46.02 46.69 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 0.00 3.33 -1.42 1.61 5.65 -1.26 -4.18 115.29 119.02 1bq0 s HIS 70 Ca 0.00 -3.16 0.00 0.00 0.25 0.00 0.00 55.06 52.15 1bq0 s HIS 70 Cb 0.00 -2.85 0.00 0.00 -1.18 0.00 0.00 32.58 28.55 1bq0 s HIS 70 CO 0.00 -0.70 0.00 0.00 -0.65 0.00 0.00 174.74 173.39 1bq0 n ALA 71 N 2.83 -0.58 -0.36 1.58 0.00 -1.08 -4.83 120.51 118.08 1bq0 n ALA 71 Ca 0.10 0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.61 1bq0 n ALA 71 Cb 0.34 -1.72 -0.08 0.00 0.00 0.00 0.00 19.45 17.99 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 -1.30 -0.54 -3.69 0.00 0.00 -0.57 -3.28 120.51 111.14 1bq0 n ALA 72 Ca -0.18 0.72 -0.38 0.00 0.00 0.00 0.00 53.44 53.61 1bq0 n ALA 72 Cb 0.60 -0.09 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 1bq0 n ALA 72 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1bq0 s PHE 73 N -5.28 3.50 -0.20 0.00 0.08 -1.26 -5.02 117.98 109.79 1bq0 s PHE 73 Ca -0.10 -2.41 -0.04 0.00 0.12 0.00 0.00 56.93 54.49 1bq0 s PHE 73 Cb 0.09 -3.30 0.09 0.00 -0.57 0.00 0.00 43.02 39.33 1bq0 s PHE 73 CO 0.53 -0.93 0.19 -2.00 -0.10 0.00 0.00 175.22 172.91 1bq0 s GLU 74 N 0.64 0.17 -0.24 0.44 2.56 -1.21 -5.02 118.70 116.04 1bq0 s GLU 74 Ca 0.12 0.12 -0.18 0.00 0.00 0.00 0.00 54.97 55.03 1bq0 s GLU 74 Cb -0.22 -1.33 -0.16 0.00 2.00 0.00 0.00 34.13 34.43 1bq0 s GLU 74 CO -0.03 -0.67 -0.04 0.94 -0.56 0.00 0.00 175.26 174.89 1bq0 n GLN 75 N 5.31 0.58 -2.57 4.30 7.27 -1.26 -4.67 117.38 126.33 1bq0 n GLN 75 Ca -0.06 0.43 -0.16 0.00 0.07 0.00 0.00 57.00 57.29 1bq0 n GLN 75 Cb 0.49 -1.63 0.02 0.00 2.41 0.00 0.00 30.24 31.53 1bq0 n GLN 75 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1bq0 n GLY 76 N 1.37 3.47 0.00 1.69 0.00 -1.26 -5.31 105.19 105.15 1bq0 n GLY 76 Ca -0.42 -1.90 0.15 0.00 0.00 0.00 0.00 46.02 43.85 1bq0 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93