#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 0.92 -0.07 0.00 2.36 -1.26 -5.13 119.74 116.57 1bq0 s LYS 2 Ca 0.00 -1.33 0.04 0.00 -2.55 0.00 0.00 55.97 52.13 1bq0 s LYS 2 Cb 0.00 -0.62 -0.02 0.00 -1.05 0.00 0.00 37.83 36.15 1bq0 s LYS 2 CO 0.00 -1.32 -0.20 -0.65 1.55 0.00 0.00 175.35 174.74 1bq0 s GLN 3 N 0.76 2.69 0.97 4.03 -1.52 -1.26 -5.10 119.66 120.23 1bq0 s GLN 3 Ca 0.28 -0.80 -0.16 0.00 -1.95 0.00 0.00 55.36 52.73 1bq0 s GLN 3 Cb -0.02 -2.31 -0.09 0.00 -0.22 0.00 0.00 33.01 30.37 1bq0 s GLN 3 CO -0.10 0.42 -0.38 -3.47 -0.25 0.00 0.00 175.29 171.52 1bq0 n ASP 4 N 2.86 -4.64 -1.14 5.90 -0.08 -1.26 -4.88 116.55 113.32 1bq0 n ASP 4 Ca -0.17 0.24 0.08 0.00 -1.51 0.00 0.00 54.79 53.43 1bq0 n ASP 4 Cb 0.52 -0.92 0.28 0.00 2.34 0.00 0.00 41.12 43.34 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 -2.84 1.09 -0.08 -0.67 4.01 -1.26 -4.33 117.16 113.09 1bq0 n TYR 5 Ca 0.01 -0.68 -0.13 0.00 -0.16 0.00 0.00 57.90 56.94 1bq0 n TYR 5 Cb 0.55 -0.23 -0.10 0.00 -0.31 0.00 0.00 39.34 39.24 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 2.81 0.00 0.00 -0.72 -0.00 -1.89 -3.31 116.97 113.85 1bq0 h TYR 6 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.69 1bq0 h TYR 6 Cb 1.30 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.03 1bq0 h TYR 6 CO 0.57 0.93 -0.20 1.49 -0.00 0.00 0.00 178.16 180.94 1bq0 h GLU 7 N -1.00 0.00 -1.01 0.10 4.22 -1.85 -2.78 114.58 112.26 1bq0 h GLU 7 Ca -0.08 0.00 0.25 0.00 0.08 0.00 0.00 59.36 59.62 1bq0 h GLU 7 Cb 0.91 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.08 1bq0 h GLU 7 CO -0.05 0.20 0.66 0.82 -2.18 0.00 0.00 179.01 178.47 1bq0 h ILE 8 N 0.00 0.56 -0.78 2.32 5.03 -1.75 0.81 117.51 123.69 1bq0 h ILE 8 Ca -0.00 -0.12 -0.41 0.00 -0.12 0.00 0.00 64.86 64.21 1bq0 h ILE 8 Cb 0.51 0.18 -0.24 0.00 -3.03 0.00 0.00 36.82 34.24 1bq0 h ILE 8 CO 0.03 0.06 0.52 0.18 -0.68 0.00 0.00 178.15 178.26 1bq0 n LEU 9 N -4.54 5.98 -3.71 1.44 7.99 -1.05 -4.90 117.00 118.22 1bq0 n LEU 9 Ca 0.23 -3.18 -0.27 0.00 -0.01 0.00 0.00 56.01 52.78 1bq0 n LEU 9 Cb 0.86 -0.78 0.02 0.00 -0.11 0.00 0.00 43.42 43.41 1bq0 n LEU 9 CO 0.29 0.95 -0.09 0.61 -1.51 0.00 0.00 177.39 177.63 1bq0 n GLY 10 N -0.77 -1.12 0.00 -0.72 0.00 0.28 -4.34 105.19 98.51 1bq0 n GLY 10 Ca 0.47 0.49 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 -3.43 0.00 -0.04 1.61 0.31 -1.24 -4.76 118.33 110.77 1bq0 n VAL 11 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 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 0.06 0.00 4.52 2.88 -1.26 -4.73 113.62 115.08 1bq0 n SER 12 Ca 0.00 -0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.19 1bq0 n SER 12 Cb 0.00 0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 -0.50 0.00 0.00 -1.46 2.85 -1.26 -4.53 118.16 113.26 1bq0 n LYS 13 Ca 0.00 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.39 1bq0 n LYS 13 Cb 0.01 -0.20 0.44 0.00 -0.65 0.00 0.00 35.03 34.63 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 -0.06 0.58 -2.24 -1.26 -4.85 114.28 106.45 1bq0 n THR 14 Ca 0.00 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1bq0 n THR 14 Cb 0.00 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 -0.96 0.00 -2.00 6.98 0.00 -1.26 -5.08 120.51 118.19 1bq0 n ALA 15 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1bq0 n ALA 15 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.25 0.00 -0.05 0.00 1.02 -1.26 -4.74 120.64 115.36 1bq0 n GLU 16 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 1bq0 n GLU 16 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.29 1bq0 n GLU 16 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1bq0 h GLU 17 N 0.00 0.13 -0.98 3.49 5.08 -1.88 -3.25 114.58 117.17 1bq0 h GLU 17 Ca 0.00 -0.22 0.36 0.00 -1.00 0.00 0.00 59.36 58.50 1bq0 h GLU 17 Cb 0.00 0.08 -0.18 0.00 0.50 0.00 0.00 28.75 29.15 1bq0 h GLU 17 CO 0.00 1.11 0.35 2.89 -1.00 0.00 0.00 179.01 182.36 1bq0 n ARG 18 N -4.00 -0.07 -0.11 2.33 -4.01 -1.26 0.77 116.66 110.31 1bq0 n ARG 18 Ca -0.32 1.39 -0.21 0.00 -1.04 0.00 0.00 57.85 57.67 1bq0 n ARG 18 Cb 0.85 -2.39 -0.09 0.00 -3.04 0.00 0.00 32.46 27.78 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 -5.30 0.56 0.33 2.89 2.13 -1.26 -3.55 120.64 116.44 1bq0 n GLU 19 Ca 0.32 0.46 0.11 0.00 0.66 0.00 0.00 57.16 58.72 1bq0 n GLU 19 Cb 1.09 -1.65 0.59 0.00 0.27 0.00 0.00 31.44 31.73 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 -1.00 0.00 0.00 6.31 5.03 -1.45 3.43 117.51 129.82 1bq0 h ILE 20 Ca -0.39 0.00 -0.11 0.00 -0.12 0.00 0.00 64.86 64.25 1bq0 h ILE 20 Cb 1.28 0.48 -0.02 0.00 -3.03 0.00 0.00 36.82 35.53 1bq0 h ILE 20 CO -0.24 0.00 -1.07 0.08 -0.68 0.00 0.00 178.15 176.25 1bq0 h ARG 21 N 0.00 0.00 0.00 2.37 0.11 0.25 -1.89 114.38 115.21 1bq0 h ARG 21 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 1bq0 h ARG 21 Cb 1.04 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.12 1bq0 h ARG 21 CO 0.00 0.24 -1.70 1.17 0.10 0.00 0.00 179.97 179.78 1bq0 n LYS 22 N -2.91 0.60 -0.08 0.08 0.00 0.29 -3.98 118.16 112.15 1bq0 n LYS 22 Ca -0.04 -0.12 -0.16 0.00 0.00 0.00 0.00 58.31 57.99 1bq0 n LYS 22 Cb 0.73 -1.35 -0.12 0.00 0.00 0.00 0.00 35.03 34.29 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 1.25 0.07 -0.40 3.14 0.00 0.58 0.18 119.26 124.07 1bq0 h ALA 23 Ca -0.04 -0.68 0.08 0.00 0.00 0.00 0.00 54.91 54.26 1bq0 h ALA 23 Cb 0.80 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.72 1bq0 h ALA 23 CO 0.00 0.19 -0.08 -0.92 0.00 0.00 0.00 179.25 178.43 1bq0 h TYR 24 N -1.00 -0.18 -0.42 0.00 3.20 -1.44 0.27 116.97 117.40 1bq0 h TYR 24 Ca -0.09 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.71 1bq0 h TYR 24 Cb 1.07 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.47 1bq0 h TYR 24 CO 0.23 -0.16 -0.15 -0.22 -1.64 0.00 0.00 178.16 176.22 1bq0 h LYS 25 N 0.02 0.84 0.09 1.82 3.64 -1.69 0.15 116.57 121.43 1bq0 h LYS 25 Ca 0.20 -0.34 0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1bq0 h LYS 25 Cb 0.30 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 1bq0 h LYS 25 CO -0.40 0.98 -0.33 0.00 -2.27 0.00 0.00 179.45 177.42 1bq0 h ARG 26 N 0.66 -0.52 0.00 1.90 3.08 0.10 0.16 114.38 119.75 1bq0 h ARG 26 Ca 0.10 0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 1bq0 h ARG 26 Cb 0.70 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 1bq0 h ARG 26 CO 0.05 -0.35 -0.18 1.25 -1.07 0.00 0.00 179.97 179.67 1bq0 h LEU 27 N -0.54 0.00 -1.05 3.04 7.12 -0.52 -2.59 115.31 120.77 1bq0 h LEU 27 Ca 0.04 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.99 1bq0 h LEU 27 Cb 0.59 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.71 1bq0 h LEU 27 CO -0.22 0.18 -0.26 0.00 -0.13 0.00 0.00 178.44 178.02 1bq0 h ALA 28 N 1.82 1.01 -0.87 1.25 0.00 0.53 -2.94 119.26 120.06 1bq0 h ALA 28 Ca -0.00 -0.23 0.23 0.00 0.00 0.00 0.00 54.91 54.90 1bq0 h ALA 28 Cb 0.71 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.32 1bq0 h ALA 28 CO 0.02 0.32 0.22 1.98 0.00 0.00 0.00 179.25 181.80 1bq0 h MET 29 N 0.00 0.20 0.00 0.00 1.85 -0.60 3.77 114.93 120.15 1bq0 h MET 29 Ca -0.00 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 1bq0 h MET 29 Cb 0.79 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.78 1bq0 h MET 29 CO 0.03 0.13 0.26 0.87 -0.40 0.00 0.00 176.91 177.80 1bq0 h LYS 30 N 0.20 0.00 0.00 0.39 1.57 -1.70 -2.47 116.57 114.56 1bq0 h LYS 30 Ca 0.54 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 1bq0 h LYS 30 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1bq0 h LYS 30 CO -0.66 0.00 -0.44 0.66 -0.57 0.00 0.00 179.45 178.44 1bq0 n TYR 31 N -2.54 0.00 -0.87 -1.35 4.01 1.03 -5.05 117.16 112.39 1bq0 n TYR 31 Ca -0.02 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.40 1bq0 n TYR 31 Cb 0.30 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.36 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 -0.78 -2.85 0.00 -0.72 8.25 0.95 -4.38 115.22 115.69 1bq0 n HIS 32 Ca 0.00 0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 1bq0 n HIS 32 Cb 0.00 -1.23 0.00 0.00 1.12 0.00 0.00 29.99 29.88 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 2.18 1.53 0.00 -0.41 -0.04 -1.26 -2.91 135.00 134.09 1bq0 n PRO 33 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1bq0 n PRO 33 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 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 0.13 3.54 2.03 -1.26 -2.67 116.55 118.32 1bq0 n ASP 34 Ca 0.00 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.31 1bq0 n ASP 34 Cb 0.00 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.47 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 -1.90 -3.44 114.38 108.48 1bq0 h ARG 35 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1bq0 h ARG 35 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1bq0 h ARG 35 CO 0.00 0.63 0.00 0.09 0.10 0.00 0.00 179.97 180.79 1bq0 n ASN 36 N -3.40 0.00 -2.82 0.08 4.13 -1.09 -5.07 115.26 107.09 1bq0 n ASN 36 Ca 0.01 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.18 1bq0 n ASN 36 Cb 0.73 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.99 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 0.00 0.64 0.00 3.52 6.02 -1.26 -4.84 117.38 121.46 1bq0 n GLN 37 Ca 0.00 -2.04 0.00 0.00 -0.01 0.00 0.00 57.00 54.95 1bq0 n GLN 37 Cb 0.00 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 29.80 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 2.23 1.32 0.00 1.08 0.00 -1.26 -4.29 105.19 104.27 1bq0 n GLY 38 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 2.94 0.00 0.00 1.61 8.00 -1.26 -4.85 116.55 122.99 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 0.02 -1.24 4.76 -1.26 -1.43 118.16 119.01 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 -0.01 0.00 -1.84 0.00 0.00 35.03 33.18 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 0.28 0.12 1.97 1.02 -1.26 -3.88 120.64 118.89 1bq0 n GLU 41 Ca 0.00 -0.02 0.10 0.00 -0.02 0.00 0.00 57.16 57.22 1bq0 n GLU 41 Cb 0.00 -1.57 0.02 0.00 -0.02 0.00 0.00 31.44 29.87 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 2.56 0.61 -0.08 0.62 0.00 -1.51 -3.05 119.26 118.42 1bq0 h ALA 42 Ca 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1bq0 h ALA 42 Cb 0.72 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1bq0 h ALA 42 CO 0.00 0.11 -0.12 1.49 0.00 0.00 0.00 179.25 180.74 1bq0 h GLU 43 N 0.00 -0.15 0.10 0.00 4.81 -1.75 0.22 114.58 117.80 1bq0 h GLU 43 Ca -0.02 0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1bq0 h GLU 43 Cb 1.07 0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.50 1bq0 h GLU 43 CO 0.01 -0.10 -0.67 0.00 -0.73 0.00 0.00 179.01 177.51 1bq0 h ALA 44 N 0.88 -0.03 -0.91 2.92 0.00 -1.79 -3.22 119.26 117.11 1bq0 h ALA 44 Ca 0.07 -0.70 0.26 0.00 0.00 0.00 0.00 54.91 54.54 1bq0 h ALA 44 Cb 0.26 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1bq0 h ALA 44 CO -0.17 0.33 0.76 -0.22 0.00 0.00 0.00 179.25 179.95 1bq0 h LYS 45 N -0.56 0.00 0.00 0.00 1.63 -1.47 2.25 116.57 118.42 1bq0 h LYS 45 Ca -0.13 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.67 1bq0 h LYS 45 Cb 1.47 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.10 1bq0 h LYS 45 CO 0.09 0.00 -0.00 0.74 -3.45 0.00 0.00 179.45 176.83 1bq0 h PHE 46 N 0.00 0.00 0.00 1.91 -1.00 -0.95 1.45 116.94 118.35 1bq0 h PHE 46 Ca 0.43 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.21 1bq0 h PHE 46 Cb 1.95 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.51 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 -4.26 0.02 -0.01 1.51 2.85 0.76 0.28 118.16 119.31 1bq0 n LYS 47 Ca -0.03 0.07 -0.19 0.00 -1.05 0.00 0.00 58.31 57.11 1bq0 n LYS 47 Cb 0.09 -1.53 -0.14 0.00 -0.65 0.00 0.00 35.03 32.80 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 -1.57 0.73 -0.06 -1.58 1.02 0.48 -3.82 120.64 115.83 1bq0 n GLU 48 Ca 0.06 0.26 -0.10 0.00 -0.02 0.00 0.00 57.16 57.35 1bq0 n GLU 48 Cb 0.32 -1.71 -0.05 0.00 -0.02 0.00 0.00 31.44 29.98 1bq0 n GLU 48 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1bq0 n ILE 49 N -3.37 0.65 0.23 -3.67 -0.00 -0.01 -3.71 119.36 109.48 1bq0 n ILE 49 Ca -0.30 -0.21 0.11 0.00 -0.00 0.00 0.00 62.75 62.36 1bq0 n ILE 49 Cb 1.05 -1.29 0.52 0.00 -0.00 0.00 0.00 39.64 39.92 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 -0.22 0.00 0.00 0.38 3.64 0.39 3.21 116.57 123.96 1bq0 h LYS 50 Ca -0.28 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 58.86 1bq0 h LYS 50 Cb 1.33 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.11 1bq0 h LYS 50 CO -0.11 0.18 -1.52 1.49 -2.27 0.00 0.00 179.45 177.22 1bq0 h GLU 51 N 0.00 0.00 0.00 1.90 4.57 -0.08 -2.87 114.58 118.10 1bq0 h GLU 51 Ca -0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 1bq0 h GLU 51 Cb 0.66 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 1bq0 h GLU 51 CO 0.02 0.45 -0.54 0.00 -1.18 0.00 0.00 179.01 177.77 1bq0 h ALA 52 N 1.16 0.04 0.00 2.92 0.00 -1.51 -3.36 119.26 118.51 1bq0 h ALA 52 Ca -0.22 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1bq0 h ALA 52 Cb 1.83 0.46 0.00 0.00 0.00 0.00 0.00 17.79 20.08 1bq0 h ALA 52 CO 0.07 0.45 0.00 2.48 0.00 0.00 0.00 179.25 182.25 1bq0 n TYR 53 N -4.61 0.00 0.19 0.00 0.18 1.06 -2.69 117.16 111.28 1bq0 n TYR 53 Ca -0.10 0.00 0.03 0.00 1.88 0.00 0.00 57.90 59.71 1bq0 n TYR 53 Cb 0.30 -0.16 0.38 0.00 -0.38 0.00 0.00 39.34 39.48 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 0.02 -0.36 -3.48 4.81 -1.46 -2.72 114.58 111.39 1bq0 h GLU 54 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1bq0 h GLU 54 Cb 0.07 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1bq0 h GLU 54 CO 0.00 0.34 0.00 1.33 -0.73 0.00 0.00 179.01 179.95 1bq0 n VAL 55 N -4.15 1.26 1.98 0.32 0.24 -1.10 -4.42 118.33 112.47 1bq0 n VAL 55 Ca -0.02 -1.16 0.08 0.00 -2.04 0.00 0.00 64.34 61.20 1bq0 n VAL 55 Cb 0.37 0.35 0.48 0.00 -1.47 0.00 0.00 33.84 33.57 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 0.40 0.05 -0.03 1.34 7.99 -1.03 -3.19 117.00 122.54 1bq0 n LEU 56 Ca 0.14 -0.02 -0.02 0.00 -0.01 0.00 0.00 56.01 56.11 1bq0 n LEU 56 Cb 0.53 -0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.79 1bq0 n LEU 56 CO 0.10 0.01 -0.68 1.07 -1.51 0.00 0.00 177.39 176.38 1bq0 n THR 57 N -0.72 0.34 -2.93 -5.08 5.66 -1.26 -4.14 114.28 106.14 1bq0 n THR 57 Ca 0.12 -0.24 -0.19 0.00 -3.05 0.00 0.00 64.05 60.69 1bq0 n THR 57 Cb 0.06 -0.59 0.02 0.00 -1.55 0.00 0.00 70.33 68.27 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 -3.56 5.57 -0.16 1.09 2.15 -1.19 -4.82 116.67 115.75 1bq0 s ASP 58 Ca -0.03 -0.21 -0.02 0.00 0.43 0.00 0.00 52.55 52.72 1bq0 s ASP 58 Cb 0.02 -0.85 -0.09 0.00 -0.30 0.00 0.00 42.92 41.70 1bq0 s ASP 58 CO 0.26 -0.85 -0.16 -1.20 -0.17 0.00 0.00 175.17 173.05 1bq0 n SER 59 N -2.01 2.28 0.08 -0.34 7.64 -1.26 -3.96 113.62 116.05 1bq0 n SER 59 Ca 0.07 0.01 0.17 0.00 1.01 0.00 0.00 58.87 60.12 1bq0 n SER 59 Cb 0.59 -0.32 0.68 0.00 -1.01 0.00 0.00 64.21 64.16 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 -0.19 0.00 0.08 1.43 3.07 -1.96 -1.81 115.11 115.74 1bq0 h GLN 60 Ca -0.37 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.22 1bq0 h GLN 60 Cb 1.48 0.00 0.01 0.00 0.08 0.00 0.00 27.48 29.04 1bq0 h GLN 60 CO -0.12 0.00 -0.73 0.87 0.09 0.00 0.00 178.83 178.95 1bq0 h LYS 61 N 0.00 0.18 -0.87 0.06 1.57 -1.88 -1.79 116.57 113.84 1bq0 h LYS 61 Ca 0.18 -0.30 0.25 0.00 -1.87 0.00 0.00 60.65 58.91 1bq0 h LYS 61 Cb 0.72 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 1bq0 h LYS 61 CO -0.00 1.14 0.88 0.00 -0.57 0.00 0.00 179.45 180.90 1bq0 h ARG 62 N -0.60 0.00 0.00 3.15 2.47 -1.47 3.02 114.38 120.97 1bq0 h ARG 62 Ca -0.15 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.26 1bq0 h ARG 62 Cb 1.45 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.72 1bq0 h ARG 62 CO 0.06 0.00 -1.90 0.00 0.56 0.00 0.00 179.97 178.69 1bq0 n ALA 63 N -2.39 1.48 -0.05 0.04 0.00 -0.96 -2.56 120.51 116.06 1bq0 n ALA 63 Ca 0.19 -0.91 -0.03 0.00 0.00 0.00 0.00 53.44 52.69 1bq0 n ALA 63 Cb 1.17 -0.67 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 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 0.96 -0.01 0.00 0.00 0.00 0.42 -3.24 119.26 117.39 1bq0 h ALA 64 Ca -0.36 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1bq0 h ALA 64 Cb 2.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.87 1bq0 h ALA 64 CO 0.06 -0.01 0.00 0.66 0.00 0.00 0.00 179.25 179.97 1bq0 n TYR 65 N -4.75 0.02 -0.10 0.00 4.02 0.85 -2.31 117.16 114.89 1bq0 n TYR 65 Ca -0.02 0.01 -0.10 0.00 -0.01 0.00 0.00 57.90 57.78 1bq0 n TYR 65 Cb 0.10 -0.51 -0.02 0.00 -0.02 0.00 0.00 39.34 38.88 1bq0 n TYR 65 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 1bq0 h ASP 66 N 0.00 0.42 0.34 7.72 3.58 -1.44 -2.99 116.42 124.04 1bq0 h ASP 66 Ca 0.00 -0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.28 1bq0 h ASP 66 Cb 0.17 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 1bq0 h ASP 66 CO 0.00 0.44 -1.69 0.00 -2.88 0.00 0.00 179.24 175.11 1bq0 n GLN 67 N -4.75 0.64 0.00 0.28 10.64 -1.09 -4.80 117.38 118.31 1bq0 n GLN 67 Ca -0.02 -0.07 0.00 0.00 -1.83 0.00 0.00 57.00 55.08 1bq0 n GLN 67 Cb 0.12 -1.63 0.00 0.00 -0.86 0.00 0.00 30.24 27.87 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 -2.45 0.00 -4.43 2.61 4.01 -0.98 -4.86 117.16 111.08 1bq0 n TYR 68 Ca -0.05 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.29 1bq0 n TYR 68 Cb 0.61 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.58 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 3.41 -0.41 0.00 2.72 0.00 -1.14 -4.71 105.19 105.06 1bq0 n GLY 69 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1bq0 n GLY 69 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1bq0 n HIS 70 N -4.19 0.00 0.68 1.61 -0.00 -1.26 -4.95 115.22 107.11 1bq0 n HIS 70 Ca 0.10 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.83 1bq0 n HIS 70 Cb 0.47 0.00 0.09 0.00 -0.00 0.00 0.00 29.99 30.55 1bq0 n HIS 70 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1bq0 n ALA 71 N -3.00 2.77 -0.06 1.57 0.00 -1.26 -4.35 120.51 116.18 1bq0 n ALA 71 Ca 0.00 -0.40 0.23 0.00 0.00 0.00 0.00 53.44 53.26 1bq0 n ALA 71 Cb 0.00 -1.02 0.48 0.00 0.00 0.00 0.00 19.45 18.91 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 2.53 2.59 0.00 0.00 0.00 -1.92 -3.19 119.26 119.27 1bq0 h ALA 72 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bq0 h ALA 72 Cb 0.76 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1bq0 h ALA 72 CO 0.10 -1.35 -0.35 1.19 0.00 0.00 0.00 179.25 178.83 1bq0 n PHE 73 N -3.25 0.00 -1.56 0.00 3.01 -1.26 -4.87 117.46 109.53 1bq0 n PHE 73 Ca 0.16 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.22 1bq0 n PHE 73 Cb 1.21 0.19 -0.02 0.00 -0.01 0.00 0.00 39.48 40.85 1bq0 n PHE 73 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1bq0 n GLU 74 N -2.34 3.82 -1.01 -1.08 0.28 -1.21 -4.56 120.64 114.55 1bq0 n GLU 74 Ca 0.00 -2.60 -0.10 0.00 -0.16 0.00 0.00 57.16 54.31 1bq0 n GLU 74 Cb 0.18 -2.82 0.26 0.00 1.43 0.00 0.00 31.44 30.49 1bq0 n GLU 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1bq0 n GLN 75 N 3.42 3.24 0.00 3.44 10.64 -1.23 -4.61 117.38 132.28 1bq0 n GLN 75 Ca 0.71 -2.86 0.00 0.00 -1.83 0.00 0.00 57.00 53.02 1bq0 n GLN 75 Cb 0.26 -2.15 0.00 0.00 -0.86 0.00 0.00 30.24 27.49 1bq0 n GLN 75 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1bq0 n GLY 76 N -0.33 0.18 0.00 2.61 0.00 -1.26 -5.17 105.19 101.22 1bq0 n GLY 76 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1bq0 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93