#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 2.59 -3.89 0.00 4.01 -1.26 -5.02 118.16 114.59 1bq0 n LYS 2 Ca 0.00 -4.49 -0.24 0.00 -0.51 0.00 0.00 58.31 53.07 1bq0 n LYS 2 Cb 0.00 -2.40 -0.17 0.00 -0.51 0.00 0.00 35.03 31.95 1bq0 n LYS 2 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1bq0 s GLN 3 N -1.44 1.04 0.00 1.97 -1.52 -1.26 -5.14 119.66 113.31 1bq0 s GLN 3 Ca 0.28 -0.08 0.00 0.00 -1.95 0.00 0.00 55.36 53.61 1bq0 s GLN 3 Cb -0.06 -1.22 0.00 0.00 -0.22 0.00 0.00 33.01 31.51 1bq0 s GLN 3 CO -0.13 -0.25 0.00 -3.47 -0.25 0.00 0.00 175.29 171.19 1bq0 n ASP 4 N 4.91 -0.71 0.00 5.90 -0.08 -1.26 -4.96 116.55 120.35 1bq0 n ASP 4 Ca -0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.16 1bq0 n ASP 4 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 1bq0 n ASP 4 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bq0 n TYR 5 N -1.69 0.00 0.05 -0.67 4.11 -1.26 -4.56 117.16 113.14 1bq0 n TYR 5 Ca 0.00 -0.22 -0.20 0.00 -0.00 0.00 0.00 57.90 57.48 1bq0 n TYR 5 Cb 0.00 -0.02 -0.13 0.00 -0.00 0.00 0.00 39.34 39.19 1bq0 n TYR 5 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 176.86 176.96 1bq0 h TYR 6 N 0.00 0.81 0.03 -3.48 -0.00 -1.93 -3.29 116.97 109.11 1bq0 h TYR 6 Ca 0.00 -0.50 -0.23 0.00 0.00 0.00 0.00 58.73 58.01 1bq0 h TYR 6 Cb 0.62 -0.07 -0.02 0.00 0.00 0.00 0.00 36.73 37.26 1bq0 h TYR 6 CO 0.00 1.34 -1.07 0.93 -0.00 0.00 0.00 178.16 179.37 1bq0 h GLU 7 N 0.04 0.06 -1.02 0.10 4.39 -1.85 -3.19 114.58 113.12 1bq0 h GLU 7 Ca -0.14 -0.11 0.29 0.00 0.34 0.00 0.00 59.36 59.75 1bq0 h GLU 7 Cb 1.67 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 30.32 1bq0 h GLU 7 CO 0.18 1.04 0.81 0.82 -1.16 0.00 0.00 179.01 180.71 1bq0 h ILE 8 N 0.02 0.35 -0.63 3.13 5.03 -1.80 1.73 117.51 125.34 1bq0 h ILE 8 Ca -0.04 0.00 -0.16 0.00 -0.12 0.00 0.00 64.86 64.53 1bq0 h ILE 8 Cb 1.82 0.41 -0.10 0.00 -3.03 0.00 0.00 36.82 35.92 1bq0 h ILE 8 CO 0.15 0.00 0.21 0.18 -0.68 0.00 0.00 178.15 178.00 1bq0 n LEU 9 N -3.98 5.53 -3.41 1.44 4.77 -1.21 -4.94 117.00 115.21 1bq0 n LEU 9 Ca 0.22 -2.86 -0.18 0.00 -0.03 0.00 0.00 56.01 53.15 1bq0 n LEU 9 Cb 1.15 -0.71 0.01 0.00 -2.33 0.00 0.00 43.42 41.54 1bq0 n LEU 9 CO 0.36 0.72 -0.05 0.61 -1.33 0.00 0.00 177.39 177.70 1bq0 n GLY 10 N 0.01 -1.01 0.00 -0.72 0.00 0.59 -4.64 105.19 99.42 1bq0 n GLY 10 Ca 0.34 0.76 0.00 0.00 0.00 0.00 0.00 46.02 47.12 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 -1.62 0.00 -0.18 1.61 0.31 -1.23 -4.83 118.33 112.40 1bq0 n VAL 11 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1bq0 n VAL 11 Cb 0.61 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.54 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 0.42 0.00 4.52 2.88 -1.26 -4.75 113.62 115.43 1bq0 n SER 12 Ca 0.00 -0.74 0.00 0.00 -1.33 0.00 0.00 58.87 56.80 1bq0 n SER 12 Cb 0.00 0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 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 -0.28 0.00 0.00 -1.46 2.85 -1.26 -4.51 118.16 113.50 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 0.04 -0.10 0.48 0.00 -0.65 0.00 0.00 35.03 34.81 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 0.00 -0.04 0.58 -2.24 -1.26 -4.87 114.28 106.45 1bq0 n THR 14 Ca 0.00 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1bq0 n THR 14 Cb 0.00 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 -0.55 0.00 -2.00 6.98 0.00 -1.26 -5.07 120.51 118.61 1bq0 n ALA 15 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1bq0 n ALA 15 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.49 0.00 -0.01 0.00 1.02 -1.26 -4.72 120.64 115.19 1bq0 n GLU 16 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 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 0.71 -0.33 3.49 1.02 -1.26 -3.42 120.64 120.85 1bq0 n GLU 17 Ca 0.00 0.27 0.23 0.00 -0.02 0.00 0.00 57.16 57.64 1bq0 n GLU 17 Cb 0.00 -1.74 0.46 0.00 -0.02 0.00 0.00 31.44 30.14 1bq0 n GLU 17 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 1bq0 h ARG 18 N 0.04 0.26 0.00 3.49 -0.00 -1.98 1.36 114.38 117.55 1bq0 h ARG 18 Ca -0.37 -0.02 -0.40 0.00 -0.00 0.00 0.00 59.98 59.20 1bq0 h ARG 18 Cb 2.03 -0.06 -0.07 0.00 -0.00 0.00 0.00 29.97 31.87 1bq0 h ARG 18 CO 0.08 0.17 -2.46 -1.91 -0.00 0.00 0.00 179.97 175.85 1bq0 n GLU 19 N -5.11 0.62 0.23 0.08 2.13 -1.26 -3.43 120.64 113.90 1bq0 n GLU 19 Ca 0.31 0.17 0.15 0.00 0.66 0.00 0.00 57.16 58.45 1bq0 n GLU 19 Cb 0.97 -1.50 0.81 0.00 0.27 0.00 0.00 31.44 31.99 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 -0.21 0.00 0.15 6.31 5.03 -1.49 2.95 117.51 130.26 1bq0 h ILE 20 Ca -0.59 -0.02 -0.36 0.00 -0.12 0.00 0.00 64.86 63.76 1bq0 h ILE 20 Cb 1.82 0.71 -0.01 0.00 -3.03 0.00 0.00 36.82 36.32 1bq0 h ILE 20 CO -0.16 0.00 -1.90 0.08 -0.68 0.00 0.00 178.15 175.49 1bq0 h ARG 21 N 0.00 0.32 0.00 2.37 0.11 0.17 -1.27 114.38 116.07 1bq0 h ARG 21 Ca 0.00 -0.54 -0.18 0.00 0.10 0.00 0.00 59.98 59.35 1bq0 h ARG 21 Cb 0.03 0.20 -0.03 0.00 1.11 0.00 0.00 29.97 31.28 1bq0 h ARG 21 CO 0.00 1.26 -1.20 -0.22 0.10 0.00 0.00 179.97 179.90 1bq0 h LYS 22 N 0.09 0.00 0.09 0.08 3.64 -1.34 -2.91 116.57 116.22 1bq0 h LYS 22 Ca -0.39 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1bq0 h LYS 22 Cb 2.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.88 1bq0 h LYS 22 CO 0.13 0.47 -0.04 0.00 -2.27 0.00 0.00 179.45 177.74 1bq0 h ALA 23 N 1.30 -0.12 -0.91 5.00 0.00 0.52 1.28 119.26 126.34 1bq0 h ALA 23 Ca -0.13 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 54.79 1bq0 h ALA 23 Cb 1.64 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 19.37 1bq0 h ALA 23 CO 0.07 -0.13 0.47 -0.92 0.00 0.00 0.00 179.25 178.73 1bq0 h TYR 24 N -0.98 0.80 0.00 0.00 3.20 -1.31 2.26 116.97 120.95 1bq0 h TYR 24 Ca -0.01 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1bq0 h TYR 24 Cb 0.41 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.47 1bq0 h TYR 24 CO 0.09 0.08 -0.18 0.87 -1.64 0.00 0.00 178.16 177.37 1bq0 h LYS 25 N 0.55 0.12 -0.61 1.82 1.79 -1.55 0.13 116.57 118.82 1bq0 h LYS 25 Ca 0.54 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 58.86 1bq0 h LYS 25 Cb 0.93 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.59 1bq0 h LYS 25 CO -0.45 0.89 0.31 -0.09 -1.08 0.00 0.00 179.45 179.03 1bq0 h ARG 26 N -0.59 0.87 0.00 3.15 9.65 0.31 -2.26 114.38 125.51 1bq0 h ARG 26 Ca -0.02 -0.12 -0.09 0.00 -1.10 0.00 0.00 59.98 58.65 1bq0 h ARG 26 Cb 0.96 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.36 1bq0 h ARG 26 CO 0.04 0.69 -0.43 1.25 2.80 0.00 0.00 179.97 184.31 1bq0 h LEU 27 N 0.83 0.00 -1.13 3.80 7.12 0.36 -3.05 115.31 123.25 1bq0 h LEU 27 Ca 0.21 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 58.19 1bq0 h LEU 27 Cb 0.09 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.22 1bq0 h LEU 27 CO -0.03 0.43 -0.14 0.00 -0.13 0.00 0.00 178.44 178.58 1bq0 h ALA 28 N 1.57 1.00 -0.84 1.25 0.00 -0.28 -2.96 119.26 119.01 1bq0 h ALA 28 Ca -0.00 -0.13 0.21 0.00 0.00 0.00 0.00 54.91 54.99 1bq0 h ALA 28 Cb 1.19 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.82 1bq0 h ALA 28 CO 0.06 0.17 0.23 1.98 0.00 0.00 0.00 179.25 181.69 1bq0 h MET 29 N 0.00 0.23 0.00 0.00 1.85 -1.31 3.99 114.93 119.70 1bq0 h MET 29 Ca -0.00 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.07 1bq0 h MET 29 Cb 0.70 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.68 1bq0 h MET 29 CO 0.02 0.15 0.27 0.87 -0.40 0.00 0.00 176.91 177.82 1bq0 h LYS 30 N 0.24 0.00 0.00 0.39 6.56 -1.72 -1.74 116.57 120.30 1bq0 h LYS 30 Ca 0.51 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.10 1bq0 h LYS 30 Cb 0.99 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.65 1bq0 h LYS 30 CO -0.61 0.00 -0.90 0.66 -2.06 0.00 0.00 179.45 176.54 1bq0 n TYR 31 N -2.68 0.00 -0.68 -1.35 4.01 1.09 -5.05 117.16 112.51 1bq0 n TYR 31 Ca -0.02 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.50 1bq0 n TYR 31 Cb 0.31 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.35 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 -1.36 -2.15 0.00 -0.72 8.25 1.01 -4.43 115.22 115.83 1bq0 n HIS 32 Ca 0.00 0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1bq0 n HIS 32 Cb 0.00 -0.93 0.00 0.00 1.12 0.00 0.00 29.99 30.18 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 1.07 1.77 0.00 -0.41 -0.04 -1.26 -2.99 135.00 133.14 1bq0 n PRO 33 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1bq0 n PRO 33 Cb 0.29 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.75 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 0.07 3.54 2.03 -1.26 -2.65 116.55 118.28 1bq0 n ASP 34 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 1bq0 n ASP 34 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 1bq0 n ASP 34 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 1bq0 h ARG 35 N 0.00 0.00 0.00 -0.67 0.11 -1.91 -3.31 114.38 108.59 1bq0 h ARG 35 Ca 0.00 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.87 1bq0 h ARG 35 Cb 0.00 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.04 1bq0 h ARG 35 CO 0.00 0.62 -2.02 0.09 0.10 0.00 0.00 179.97 178.75 1bq0 n ASN 36 N -3.18 0.22 -1.85 0.08 4.13 -1.08 -4.99 115.26 108.60 1bq0 n ASN 36 Ca -0.03 0.10 -0.01 0.00 1.68 0.00 0.00 54.58 56.31 1bq0 n ASN 36 Cb 0.86 1.08 0.00 0.00 -1.54 0.00 0.00 39.78 40.18 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 -2.64 -0.52 0.00 3.52 6.02 -1.25 -3.88 117.38 118.63 1bq0 n GLN 37 Ca -0.18 0.86 0.00 0.00 -0.01 0.00 0.00 57.00 57.67 1bq0 n GLN 37 Cb 0.90 -2.54 0.00 0.00 1.02 0.00 0.00 30.24 29.62 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 -0.63 0.70 0.00 1.08 0.00 -1.26 -4.13 105.19 100.95 1bq0 n GLY 38 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 1.75 0.00 0.00 1.61 8.00 -1.25 -4.41 116.55 122.24 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 0.04 -1.24 4.76 -1.25 -1.85 118.16 118.61 1bq0 n LYS 40 Ca 0.00 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.56 1bq0 n LYS 40 Cb 0.00 0.00 0.10 0.00 -1.84 0.00 0.00 35.03 33.29 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 0.26 0.09 1.97 4.71 -1.26 -3.73 120.64 122.69 1bq0 n GLU 41 Ca 0.00 0.03 0.06 0.00 -0.01 0.00 0.00 57.16 57.24 1bq0 n GLU 41 Cb 0.00 -1.62 -0.01 0.00 -1.01 0.00 0.00 31.44 28.80 1bq0 n GLU 41 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1bq0 h ALA 42 N 2.58 0.64 -0.20 0.62 0.00 -1.59 -3.01 119.26 118.30 1bq0 h ALA 42 Ca 0.00 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.58 1bq0 h ALA 42 Cb 0.71 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1bq0 h ALA 42 CO 0.00 0.44 -0.23 1.49 0.00 0.00 0.00 179.25 180.95 1bq0 h GLU 43 N 0.00 -0.24 0.10 0.00 4.81 -1.77 0.34 114.58 117.82 1bq0 h GLU 43 Ca -0.06 0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.03 1bq0 h GLU 43 Cb 1.28 0.06 0.02 0.00 0.63 0.00 0.00 28.75 30.73 1bq0 h GLU 43 CO 0.03 -0.16 -0.67 0.00 -0.73 0.00 0.00 179.01 177.48 1bq0 h ALA 44 N 0.78 -0.06 -0.81 2.92 0.00 -1.78 -3.19 119.26 117.12 1bq0 h ALA 44 Ca 0.12 -0.65 0.23 0.00 0.00 0.00 0.00 54.91 54.62 1bq0 h ALA 44 Cb 0.44 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1bq0 h ALA 44 CO -0.35 0.32 0.66 -0.22 0.00 0.00 0.00 179.25 179.66 1bq0 h LYS 45 N -0.42 0.00 -0.17 0.00 1.63 -1.36 2.18 116.57 118.43 1bq0 h LYS 45 Ca -0.11 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.74 1bq0 h LYS 45 Cb 1.50 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.12 1bq0 h LYS 45 CO 0.13 0.00 0.16 0.74 -3.45 0.00 0.00 179.45 177.02 1bq0 h PHE 46 N 0.00 0.00 0.00 1.91 0.04 -0.31 2.20 116.94 120.78 1bq0 h PHE 46 Ca 0.38 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.15 1bq0 h PHE 46 Cb 1.70 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.85 1bq0 h PHE 46 CO 0.00 0.00 0.00 0.36 -0.60 0.00 0.00 178.31 178.07 1bq0 n LYS 47 N -4.04 0.13 -0.01 1.51 2.85 0.74 0.28 118.16 119.61 1bq0 n LYS 47 Ca 0.01 0.09 -0.20 0.00 -1.05 0.00 0.00 58.31 57.16 1bq0 n LYS 47 Cb 0.28 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.03 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 -1.42 0.74 -0.06 -1.58 -0.58 0.74 -3.81 120.64 114.67 1bq0 n GLU 48 Ca 0.08 0.25 -0.11 0.00 -0.42 0.00 0.00 57.16 56.96 1bq0 n GLU 48 Cb 0.24 -1.69 -0.05 0.00 -0.57 0.00 0.00 31.44 29.36 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 -3.43 0.73 0.22 -3.67 -0.00 -0.75 -3.66 119.36 108.80 1bq0 n ILE 49 Ca -0.33 -0.24 0.10 0.00 -0.00 0.00 0.00 62.75 62.28 1bq0 n ILE 49 Cb 1.04 -1.24 0.47 0.00 -0.00 0.00 0.00 39.64 39.91 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 -0.19 0.00 0.05 0.38 3.64 0.38 2.51 116.57 123.33 1bq0 h LYS 50 Ca -0.31 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 58.76 1bq0 h LYS 50 Cb 1.38 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.16 1bq0 h LYS 50 CO -0.11 0.23 -1.80 1.49 -2.27 0.00 0.00 179.45 176.99 1bq0 h GLU 51 N 0.00 0.10 0.03 1.90 4.57 -0.62 -3.08 114.58 117.49 1bq0 h GLU 51 Ca -0.00 -0.18 -0.23 0.00 -1.18 0.00 0.00 59.36 57.76 1bq0 h GLU 51 Cb 0.73 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.36 1bq0 h GLU 51 CO 0.03 0.78 -1.27 0.00 -1.18 0.00 0.00 179.01 177.37 1bq0 h ALA 52 N 0.65 0.25 0.00 2.92 0.00 -1.59 -3.35 119.26 118.15 1bq0 h ALA 52 Ca -0.33 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.42 1bq0 h ALA 52 Cb 2.02 0.64 0.00 0.00 0.00 0.00 0.00 17.79 20.46 1bq0 h ALA 52 CO 0.09 0.74 0.00 2.48 0.00 0.00 0.00 179.25 182.55 1bq0 n TYR 53 N -4.26 0.00 0.20 0.00 4.11 0.84 -2.97 117.16 115.08 1bq0 n TYR 53 Ca -0.29 0.00 0.08 0.00 -0.00 0.00 0.00 57.90 57.69 1bq0 n TYR 53 Cb 0.74 0.00 0.25 0.00 -0.00 0.00 0.00 39.34 40.33 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 -0.22 -3.48 4.81 -1.50 -3.09 114.58 111.10 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 0.25 0.00 1.33 -0.73 0.00 0.00 179.01 179.86 1bq0 n VAL 55 N -3.24 2.11 0.42 0.32 0.24 -1.16 -4.48 118.33 112.55 1bq0 n VAL 55 Ca 0.02 -1.86 0.11 0.00 -2.04 0.00 0.00 64.34 60.57 1bq0 n VAL 55 Cb 0.55 -0.18 0.26 0.00 -1.47 0.00 0.00 33.84 33.00 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 -0.57 3.05 0.00 1.34 7.99 -1.17 -2.59 117.00 125.04 1bq0 n LEU 56 Ca 0.19 -1.37 0.00 0.00 -0.01 0.00 0.00 56.01 54.82 1bq0 n LEU 56 Cb 0.81 -0.27 0.00 0.00 -0.11 0.00 0.00 43.42 43.85 1bq0 n LEU 56 CO 0.12 0.69 0.07 1.07 -1.51 0.00 0.00 177.39 177.83 1bq0 n THR 57 N 1.20 0.00 -4.15 -5.08 5.66 -1.26 -3.98 114.28 106.67 1bq0 n THR 57 Ca 0.19 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.84 1bq0 n THR 57 Cb 0.52 1.61 -0.08 0.00 -1.55 0.00 0.00 70.33 70.83 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 0.00 5.69 0.10 1.09 2.15 -1.26 -4.85 116.67 119.59 1bq0 s ASP 58 Ca 0.00 0.23 -0.25 0.00 0.43 0.00 0.00 52.55 52.97 1bq0 s ASP 58 Cb 0.00 -1.69 -0.08 0.00 -0.30 0.00 0.00 42.92 40.86 1bq0 s ASP 58 CO 0.00 0.35 1.41 0.28 -0.17 0.00 0.00 175.17 177.05 1bq0 h SER 59 N 4.76 -1.46 0.00 -0.34 0.02 -1.98 -3.36 113.55 111.19 1bq0 h SER 59 Ca -0.51 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1bq0 h SER 59 Cb 1.20 0.61 0.00 0.00 0.14 0.00 0.00 62.40 64.35 1bq0 h SER 59 CO 0.58 -0.28 0.00 0.00 -1.14 0.00 0.00 176.83 175.99 1bq0 n GLN 60 N -4.72 2.90 0.00 3.45 10.64 -1.26 -4.30 117.38 124.09 1bq0 n GLN 60 Ca -0.02 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.15 1bq0 n GLN 60 Cb 0.25 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.63 1bq0 n GLN 60 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1bq0 n LYS 61 N 0.00 0.00 -0.31 2.61 5.02 -1.26 -3.79 118.16 120.43 1bq0 n LYS 61 Ca 0.00 0.00 0.22 0.00 -2.02 0.00 0.00 58.31 56.51 1bq0 n LYS 61 Cb 0.00 0.00 0.51 0.00 -0.02 0.00 0.00 35.03 35.52 1bq0 n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bq0 h ARG 62 N 0.00 0.38 0.00 1.97 3.08 -1.65 1.48 114.38 119.65 1bq0 h ARG 62 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1bq0 h ARG 62 Cb 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1bq0 h ARG 62 CO 0.00 0.25 -1.75 0.00 -1.07 0.00 0.00 179.97 177.40 1bq0 n ALA 63 N -2.48 3.00 0.11 0.04 0.00 -1.25 -3.18 120.51 116.75 1bq0 n ALA 63 Ca 0.24 -0.49 0.09 0.00 0.00 0.00 0.00 53.44 53.29 1bq0 n ALA 63 Cb 0.86 -0.80 0.01 0.00 0.00 0.00 0.00 19.45 19.52 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 2.13 0.60 0.00 0.00 0.00 -0.81 -3.32 119.26 117.85 1bq0 h ALA 64 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1bq0 h ALA 64 Cb 0.94 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1bq0 h ALA 64 CO 0.00 0.17 -0.64 0.98 0.00 0.00 0.00 179.25 179.76 1bq0 n TYR 65 N -2.79 0.00 0.07 0.00 4.19 0.47 -3.44 117.16 115.66 1bq0 n TYR 65 Ca -0.01 0.00 0.01 0.00 3.31 0.00 0.00 57.90 61.21 1bq0 n TYR 65 Cb 0.60 -0.01 -0.05 0.00 0.49 0.00 0.00 39.34 40.37 1bq0 n TYR 65 CO 0.00 0.00 0.00 0.38 0.91 0.00 0.00 176.86 178.15 1bq0 h ASP 66 N 0.00 0.00 0.00 2.98 2.03 -1.65 -3.39 116.42 116.40 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 0.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 1bq0 h ASP 66 CO 0.00 0.56 -1.14 0.00 -1.03 0.00 0.00 179.24 177.64 1bq0 n GLN 67 N -3.00 0.64 -2.44 4.15 10.64 -1.25 -4.72 117.38 121.41 1bq0 n GLN 67 Ca -0.06 -0.04 -0.40 0.00 -1.83 0.00 0.00 57.00 54.67 1bq0 n GLN 67 Cb 0.81 -1.08 0.02 0.00 -0.86 0.00 0.00 30.24 29.12 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 -1.62 2.74 -0.21 2.61 4.01 -1.22 -4.62 117.16 118.84 1bq0 n TYR 68 Ca -0.01 -2.56 -0.08 0.00 -0.16 0.00 0.00 57.90 55.09 1bq0 n TYR 68 Cb 0.13 -1.30 0.02 0.00 -0.31 0.00 0.00 39.34 37.88 1bq0 n TYR 68 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1bq0 h GLY 69 N 4.29 1.01 -5.98 2.72 0.00 -1.84 -3.43 103.07 99.85 1bq0 h GLY 69 Ca 0.57 -0.64 0.05 0.00 0.00 0.00 0.00 47.33 47.31 1bq0 h GLY 69 CO 1.25 0.59 -0.33 -1.58 0.00 0.00 0.00 176.54 176.47 1bq0 s HIS 70 N -5.30 -1.60 -0.43 5.60 5.65 -1.26 -4.91 115.29 113.04 1bq0 s HIS 70 Ca -0.12 0.82 0.00 0.00 0.25 0.00 0.00 55.06 56.01 1bq0 s HIS 70 Cb 0.13 0.28 0.00 0.00 -1.18 0.00 0.00 32.58 31.80 1bq0 s HIS 70 CO 0.82 -0.95 0.00 0.00 -0.65 0.00 0.00 174.74 173.95 1bq0 n ALA 71 N 5.19 -0.57 -0.31 1.58 0.00 -1.26 -4.76 120.51 120.37 1bq0 n ALA 71 Ca 0.07 0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.47 1bq0 n ALA 71 Cb 0.55 -0.78 -0.05 0.00 0.00 0.00 0.00 19.45 19.17 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 1.23 -0.37 -1.96 0.00 0.00 -1.87 -3.12 119.26 113.17 1bq0 h ALA 72 Ca -0.10 0.13 -0.69 0.00 0.00 0.00 0.00 54.91 54.25 1bq0 h ALA 72 Cb 0.76 1.15 -0.18 0.00 0.00 0.00 0.00 17.79 19.53 1bq0 h ALA 72 CO 0.13 -0.87 0.78 -0.06 0.00 0.00 0.00 179.25 179.24 1bq0 s PHE 73 N -5.71 3.13 -0.31 0.00 0.40 -1.26 -4.80 117.98 109.42 1bq0 s PHE 73 Ca -0.13 -1.38 0.11 0.00 -0.60 0.00 0.00 56.93 54.92 1bq0 s PHE 73 Cb 0.13 -4.26 0.46 0.00 0.51 0.00 0.00 43.02 39.87 1bq0 s PHE 73 CO 0.65 -1.47 1.14 -0.85 0.70 0.00 0.00 175.22 175.39 1bq0 n GLU 74 N 6.48 2.99 -1.79 0.44 -0.00 -1.18 -4.98 120.64 122.59 1bq0 n GLU 74 Ca 0.22 -4.02 -0.30 0.00 -0.00 0.00 0.00 57.16 53.06 1bq0 n GLU 74 Cb 0.49 -2.05 -0.07 0.00 -0.00 0.00 0.00 31.44 29.81 1bq0 n GLU 74 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1bq0 n GLN 75 N -0.59 1.37 -0.87 3.44 -0.06 -1.26 -4.02 117.38 115.38 1bq0 n GLN 75 Ca 0.32 -2.23 0.00 0.00 -2.00 0.00 0.00 57.00 53.10 1bq0 n GLN 75 Cb 0.86 -3.57 0.00 0.00 -4.06 0.00 0.00 30.24 23.48 1bq0 n GLN 75 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1bq0 n GLY 76 N 5.57 -0.98 0.00 1.69 0.00 -1.26 -5.31 105.19 104.89 1bq0 n GLY 76 Ca 0.45 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1bq0 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93