#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 1.18 -3.59 0.00 2.85 -1.26 -5.13 118.16 112.22 1bq0 n LYS 2 Ca 0.00 -1.93 -0.14 0.00 -1.05 0.00 0.00 58.31 55.19 1bq0 n LYS 2 Cb 0.00 -0.21 -0.06 0.00 -0.65 0.00 0.00 35.03 34.11 1bq0 n LYS 2 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1bq0 s GLN 3 N -0.03 0.82 1.28 -1.58 -2.07 -1.26 -5.16 119.66 111.66 1bq0 s GLN 3 Ca 0.22 0.56 -0.16 0.00 -1.82 0.00 0.00 55.36 54.16 1bq0 s GLN 3 Cb 0.39 0.39 0.33 0.00 -1.09 0.00 0.00 33.01 33.03 1bq0 s GLN 3 CO -0.08 -0.18 0.98 0.34 -1.32 0.00 0.00 175.29 175.03 1bq0 s ASP 4 N -0.38 0.02 -0.18 12.60 2.15 -1.26 -4.94 116.67 124.68 1bq0 s ASP 4 Ca -0.03 1.29 0.17 0.00 0.43 0.00 0.00 52.55 54.40 1bq0 s ASP 4 Cb -0.03 -1.96 0.55 0.00 -0.30 0.00 0.00 42.92 41.19 1bq0 s ASP 4 CO 0.03 -4.76 1.44 -1.22 -0.17 0.00 0.00 175.17 170.50 1bq0 n TYR 5 N -5.27 1.02 -0.08 -5.34 4.01 -1.26 -4.44 117.16 105.80 1bq0 n TYR 5 Ca 0.06 -0.87 -0.15 0.00 -0.16 0.00 0.00 57.90 56.78 1bq0 n TYR 5 Cb 0.56 -0.33 -0.10 0.00 -0.31 0.00 0.00 39.34 39.16 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 1.94 0.00 0.00 -0.72 -0.00 -1.92 -3.34 116.97 112.94 1bq0 h TYR 6 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.67 1bq0 h TYR 6 Cb 1.48 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.20 1bq0 h TYR 6 CO 0.54 0.99 -0.29 0.93 -0.00 0.00 0.00 178.16 180.33 1bq0 h GLU 7 N -1.00 0.00 -1.09 0.10 5.08 -1.86 -2.76 114.58 113.05 1bq0 h GLU 7 Ca -0.13 0.00 0.30 0.00 -1.00 0.00 0.00 59.36 58.53 1bq0 h GLU 7 Cb 0.97 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.14 1bq0 h GLU 7 CO -0.08 0.29 0.73 0.82 -1.00 0.00 0.00 179.01 179.78 1bq0 h ILE 8 N 0.00 0.48 -0.47 3.13 5.03 -1.78 1.72 117.51 125.61 1bq0 h ILE 8 Ca -0.00 -0.08 -0.03 0.00 -0.12 0.00 0.00 64.86 64.63 1bq0 h ILE 8 Cb 0.65 0.23 -0.02 0.00 -3.03 0.00 0.00 36.82 34.65 1bq0 h ILE 8 CO 0.04 0.04 0.04 0.18 -0.68 0.00 0.00 178.15 177.77 1bq0 n LEU 9 N -4.46 4.80 -3.17 1.44 7.99 -1.04 -4.94 117.00 117.63 1bq0 n LEU 9 Ca 0.25 -2.45 -0.10 0.00 -0.01 0.00 0.00 56.01 53.71 1bq0 n LEU 9 Cb 1.02 -0.66 0.01 0.00 -0.11 0.00 0.00 43.42 43.68 1bq0 n LEU 9 CO 0.31 0.57 0.11 0.61 -1.51 0.00 0.00 177.39 177.48 1bq0 n GLY 10 N 0.40 -1.14 0.00 -0.72 0.00 0.59 -4.41 105.19 99.90 1bq0 n GLY 10 Ca 0.24 0.78 0.00 0.00 0.00 0.00 0.00 46.02 47.03 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 -1.36 0.00 -1.15 1.61 0.31 -1.24 -4.71 118.33 111.78 1bq0 n VAL 11 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1bq0 n VAL 11 Cb 0.54 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 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 0.00 0.00 4.52 7.64 -1.26 -4.77 113.62 119.75 1bq0 n SER 12 Ca 0.00 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.88 1bq0 n SER 12 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 0.00 -0.07 1.43 2.85 -1.26 -4.33 118.16 116.78 1bq0 n LYS 13 Ca 0.00 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.36 1bq0 n LYS 13 Cb 0.26 -0.09 0.39 0.00 -0.65 0.00 0.00 35.03 34.94 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 0.19 0.00 0.58 -2.24 -1.26 -4.71 114.28 106.84 1bq0 n THR 14 Ca 0.00 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1bq0 n THR 14 Cb 0.00 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 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 0.17 0.00 -2.42 6.98 0.00 -1.26 -5.05 120.51 118.93 1bq0 n ALA 15 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1bq0 n ALA 15 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.17 0.00 1.02 -1.26 -4.66 120.64 115.58 1bq0 n GLU 16 Ca 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.21 1bq0 n GLU 16 Cb 0.00 0.00 0.21 0.00 -0.02 0.00 0.00 31.44 31.63 1bq0 n GLU 16 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1bq0 n GLU 17 N 0.00 1.84 0.04 3.49 0.28 -1.26 -3.63 120.64 121.40 1bq0 n GLU 17 Ca 0.00 -1.30 -0.20 0.00 -0.16 0.00 0.00 57.16 55.50 1bq0 n GLU 17 Cb 0.00 -1.31 -0.14 0.00 1.43 0.00 0.00 31.44 31.41 1bq0 n GLU 17 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 177.13 177.04 1bq0 h ARG 18 N 2.21 0.29 0.01 3.44 -0.00 -1.99 -3.30 114.38 115.05 1bq0 h ARG 18 Ca 0.00 -0.50 -0.39 0.00 -0.00 0.00 0.00 59.98 59.09 1bq0 h ARG 18 Cb 0.50 0.19 -0.06 0.00 -0.00 0.00 0.00 29.97 30.60 1bq0 h ARG 18 CO 0.00 1.18 -2.18 -1.91 -0.00 0.00 0.00 179.97 177.06 1bq0 n GLU 19 N -3.49 0.62 0.14 0.08 2.13 -1.26 -3.85 120.64 115.01 1bq0 n GLU 19 Ca -0.25 0.31 0.18 0.00 0.66 0.00 0.00 57.16 58.06 1bq0 n GLU 19 Cb 1.06 -1.58 0.60 0.00 0.27 0.00 0.00 31.44 31.79 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 -0.66 0.14 0.00 6.31 5.03 -1.79 3.21 117.51 129.75 1bq0 h ILE 20 Ca -0.57 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.17 1bq0 h ILE 20 Cb 1.66 0.44 0.00 0.00 -3.03 0.00 0.00 36.82 35.88 1bq0 h ILE 20 CO -0.25 0.00 -0.62 -1.14 -0.68 0.00 0.00 178.15 175.46 1bq0 n ARG 21 N -3.21 0.30 -0.02 2.37 0.00 -1.24 -1.33 116.66 113.52 1bq0 n ARG 21 Ca 0.07 0.09 0.02 0.00 -0.00 0.00 0.00 57.85 58.02 1bq0 n ARG 21 Cb 0.78 -1.69 -0.08 0.00 0.00 0.00 0.00 32.46 31.47 1bq0 n ARG 21 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1bq0 n LYS 22 N -2.12 1.05 0.05 -0.14 4.81 0.60 -4.21 118.16 118.20 1bq0 n LYS 22 Ca 0.03 -0.07 -0.22 0.00 -0.87 0.00 0.00 58.31 57.18 1bq0 n LYS 22 Cb 0.44 -1.26 -0.14 0.00 0.02 0.00 0.00 35.03 34.09 1bq0 n LYS 22 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1bq0 h ALA 23 N 0.82 0.20 -0.83 3.14 0.00 0.49 0.12 119.26 123.18 1bq0 h ALA 23 Ca -0.10 -1.16 0.05 0.00 0.00 0.00 0.00 54.91 53.70 1bq0 h ALA 23 Cb 0.90 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 19.13 1bq0 h ALA 23 CO 0.01 1.00 0.52 -0.92 0.00 0.00 0.00 179.25 179.86 1bq0 h TYR 24 N -0.02 0.97 0.17 0.00 5.03 -1.32 0.18 116.97 121.98 1bq0 h TYR 24 Ca -0.35 0.03 -0.30 0.00 2.58 0.00 0.00 58.73 60.69 1bq0 h TYR 24 Cb 1.99 -0.32 0.01 0.00 1.55 0.00 0.00 36.73 39.97 1bq0 h TYR 24 CO 0.11 0.52 -1.44 -0.22 -1.32 0.00 0.00 178.16 175.80 1bq0 h LYS 25 N 0.98 0.36 -0.28 1.82 3.64 -1.73 -2.65 116.57 118.70 1bq0 h LYS 25 Ca 0.35 -0.62 0.01 0.00 -1.27 0.00 0.00 60.65 59.13 1bq0 h LYS 25 Cb 0.11 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1bq0 h LYS 25 CO -0.15 1.29 0.19 -0.09 -2.27 0.00 0.00 179.45 178.42 1bq0 h ARG 26 N -0.10 0.34 0.00 1.90 9.65 -0.50 -1.62 114.38 124.06 1bq0 h ARG 26 Ca -0.28 -0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 58.49 1bq0 h ARG 26 Cb 1.93 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 30.42 1bq0 h ARG 26 CO 0.15 0.23 -0.90 1.25 2.80 0.00 0.00 179.97 183.50 1bq0 h LEU 27 N 0.35 0.00 -1.09 3.80 7.12 -0.75 -3.26 115.31 121.48 1bq0 h LEU 27 Ca 0.11 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 58.08 1bq0 h LEU 27 Cb 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.13 1bq0 h LEU 27 CO -0.02 0.32 -0.19 0.00 -0.13 0.00 0.00 178.44 178.41 1bq0 h ALA 28 N 1.68 1.01 -0.95 1.25 0.00 -0.93 -3.03 119.26 118.29 1bq0 h ALA 28 Ca -0.06 -0.18 0.29 0.00 0.00 0.00 0.00 54.91 54.97 1bq0 h ALA 28 Cb 1.29 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.89 1bq0 h ALA 28 CO 0.03 0.24 0.25 1.98 0.00 0.00 0.00 179.25 181.75 1bq0 h MET 29 N 0.00 0.10 0.00 0.00 1.85 -1.47 4.80 114.93 120.20 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 0.74 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.75 1bq0 h MET 29 CO 0.03 0.06 0.28 0.87 -0.40 0.00 0.00 176.91 177.75 1bq0 h LYS 30 N 0.10 0.00 0.00 0.39 6.56 -1.77 -2.64 116.57 119.21 1bq0 h LYS 30 Ca 0.65 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.24 1bq0 h LYS 30 Cb 1.44 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.10 1bq0 h LYS 30 CO -0.77 0.00 0.00 0.66 -2.06 0.00 0.00 179.45 177.28 1bq0 n TYR 31 N -2.58 0.00 -0.90 -1.35 4.01 1.32 -5.12 117.16 112.53 1bq0 n TYR 31 Ca -0.02 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.44 1bq0 n TYR 31 Cb 0.32 0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.39 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 0.00 -1.32 0.00 -0.72 8.25 1.15 -4.45 115.22 118.13 1bq0 n HIS 32 Ca 0.00 0.63 0.00 0.00 -0.26 0.00 0.00 57.72 58.09 1bq0 n HIS 32 Cb 0.29 -1.39 0.00 0.00 1.12 0.00 0.00 29.99 30.01 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 1.98 1.99 0.00 -0.41 -0.04 -1.26 -3.09 135.00 134.17 1bq0 n PRO 33 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1bq0 n PRO 33 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 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 -2.81 116.55 115.92 1bq0 n ASP 34 Ca 0.00 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.21 1bq0 n ASP 34 Cb 0.00 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.33 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 0.64 0.03 -0.67 1.85 -1.26 -4.14 116.66 113.11 1bq0 n ARG 35 Ca 0.00 0.24 -0.01 0.00 -1.00 0.00 0.00 57.85 57.08 1bq0 n ARG 35 Cb 0.00 -1.76 -0.09 0.00 -1.05 0.00 0.00 32.46 29.57 1bq0 n ARG 35 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 1bq0 h ASN 36 N 0.00 0.00 -4.46 2.89 4.21 -1.45 -3.48 115.58 113.29 1bq0 h ASN 36 Ca -0.30 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.21 1bq0 h ASN 36 Cb 1.96 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.16 1bq0 h ASN 36 CO 0.07 0.63 -0.31 0.00 -1.29 0.00 0.00 177.43 176.52 1bq0 n GLN 37 N -2.92 -1.51 0.00 0.81 6.02 -1.26 -3.48 117.38 115.05 1bq0 n GLN 37 Ca -0.10 1.53 0.00 0.00 -0.01 0.00 0.00 57.00 58.42 1bq0 n GLN 37 Cb 0.86 -4.18 0.00 0.00 1.02 0.00 0.00 30.24 27.94 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 -0.41 0.76 0.00 1.08 0.00 -1.26 -4.20 105.19 101.16 1bq0 n GLY 38 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 1.81 0.00 0.00 1.61 8.00 -1.23 -4.68 116.55 122.06 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 0.01 -1.24 4.76 -1.24 -2.04 118.16 118.42 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 0.16 0.00 -1.84 0.00 0.00 35.03 33.35 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 0.10 0.11 1.97 -0.58 -1.26 -3.65 120.64 117.32 1bq0 n GLU 41 Ca 0.00 0.01 0.09 0.00 -0.42 0.00 0.00 57.16 56.84 1bq0 n GLU 41 Cb 0.00 -1.55 0.01 0.00 -0.57 0.00 0.00 31.44 29.34 1bq0 n GLU 41 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1bq0 h ALA 42 N 2.84 0.63 -0.44 0.62 0.00 -1.68 -3.05 119.26 118.18 1bq0 h ALA 42 Ca 0.00 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.80 1bq0 h ALA 42 Cb 0.58 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 1bq0 h ALA 42 CO 0.00 0.23 -0.15 1.49 0.00 0.00 0.00 179.25 180.82 1bq0 h GLU 43 N 0.00 -0.06 0.10 0.00 4.81 -1.79 0.57 114.58 118.22 1bq0 h GLU 43 Ca -0.03 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.03 1bq0 h GLU 43 Cb 1.15 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.55 1bq0 h GLU 43 CO 0.01 -0.04 -0.82 0.00 -0.73 0.00 0.00 179.01 177.44 1bq0 h ALA 44 N 1.32 -0.00 -0.96 2.92 0.00 -1.79 -3.23 119.26 117.52 1bq0 h ALA 44 Ca 0.21 -0.77 0.28 0.00 0.00 0.00 0.00 54.91 54.63 1bq0 h ALA 44 Cb 0.38 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1bq0 h ALA 44 CO -0.48 0.42 0.75 -0.22 0.00 0.00 0.00 179.25 179.72 1bq0 h LYS 45 N -0.50 0.00 -0.07 0.00 1.63 -1.35 2.21 116.57 118.49 1bq0 h LYS 45 Ca -0.16 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.66 1bq0 h LYS 45 Cb 1.54 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.17 1bq0 h LYS 45 CO 0.09 0.00 0.05 0.74 -3.45 0.00 0.00 179.45 176.88 1bq0 h PHE 46 N 0.00 0.00 0.00 1.91 -1.00 0.12 1.63 116.94 119.60 1bq0 h PHE 46 Ca 0.46 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.24 1bq0 h PHE 46 Cb 1.96 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.52 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 -4.41 0.01 -0.02 1.51 2.85 0.74 0.28 118.16 119.12 1bq0 n LYS 47 Ca -0.01 0.12 -0.21 0.00 -1.05 0.00 0.00 58.31 57.15 1bq0 n LYS 47 Cb 0.16 -1.51 -0.13 0.00 -0.65 0.00 0.00 35.03 32.89 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 -1.53 0.73 -0.07 -1.58 -0.58 0.54 -3.79 120.64 114.35 1bq0 n GLU 48 Ca 0.05 0.29 -0.11 0.00 -0.42 0.00 0.00 57.16 56.97 1bq0 n GLU 48 Cb 0.27 -1.69 -0.07 0.00 -0.57 0.00 0.00 31.44 29.38 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 -3.58 0.85 0.21 -3.67 -0.00 -0.25 -3.51 119.36 109.40 1bq0 n ILE 49 Ca -0.34 -0.30 0.09 0.00 -0.00 0.00 0.00 62.75 62.20 1bq0 n ILE 49 Cb 1.00 -1.14 0.40 0.00 -0.00 0.00 0.00 39.64 39.90 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 -0.10 0.00 0.03 0.38 3.64 0.38 2.41 116.57 123.32 1bq0 h LYS 50 Ca -0.34 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 58.74 1bq0 h LYS 50 Cb 1.48 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.26 1bq0 h LYS 50 CO -0.08 0.27 -1.73 1.49 -2.27 0.00 0.00 179.45 177.12 1bq0 h GLU 51 N 0.00 0.07 0.00 1.90 4.57 -0.33 -3.05 114.58 117.74 1bq0 h GLU 51 Ca -0.00 -0.12 -0.17 0.00 -1.18 0.00 0.00 59.36 57.88 1bq0 h GLU 51 Cb 0.83 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.44 1bq0 h GLU 51 CO 0.03 0.71 -0.96 0.00 -1.18 0.00 0.00 179.01 177.61 1bq0 h ALA 52 N 0.77 0.19 0.00 2.92 0.00 -1.56 -3.35 119.26 118.24 1bq0 h ALA 52 Ca -0.30 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.60 1bq0 h ALA 52 Cb 2.01 0.58 0.00 0.00 0.00 0.00 0.00 17.79 20.38 1bq0 h ALA 52 CO 0.09 0.55 0.00 2.48 0.00 0.00 0.00 179.25 182.37 1bq0 n TYR 53 N -4.48 0.00 0.58 0.00 4.11 0.81 -2.87 117.16 115.31 1bq0 n TYR 53 Ca -0.26 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 57.77 1bq0 n TYR 53 Cb 0.60 0.00 0.41 0.00 -0.00 0.00 0.00 39.34 40.35 1bq0 n TYR 53 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.86 174.95 1bq0 n GLU 54 N -0.81 0.26 0.00 -3.48 2.13 -1.15 -3.42 120.64 114.18 1bq0 n GLU 54 Ca 0.11 0.25 0.00 0.00 0.66 0.00 0.00 57.16 58.18 1bq0 n GLU 54 Cb 0.05 -1.83 0.00 0.00 0.27 0.00 0.00 31.44 29.93 1bq0 n GLU 54 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1bq0 n VAL 55 N -2.29 0.36 1.17 6.31 3.14 -1.14 -4.64 118.33 121.24 1bq0 n VAL 55 Ca 0.05 -0.57 0.11 0.00 -2.96 0.00 0.00 64.34 60.96 1bq0 n VAL 55 Cb 0.41 0.94 0.59 0.00 -1.06 0.00 0.00 33.84 34.71 1bq0 n VAL 55 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1bq0 n LEU 56 N -0.18 0.00 -0.00 6.55 4.32 -1.22 -2.36 117.00 124.10 1bq0 n LEU 56 Ca 0.00 0.16 0.09 0.00 -0.02 0.00 0.00 56.01 56.24 1bq0 n LEU 56 Cb 0.17 -0.16 -0.12 0.00 -1.62 0.00 0.00 43.42 41.68 1bq0 n LEU 56 CO 0.00 -0.05 -0.33 0.35 -1.22 0.00 0.00 177.39 176.15 1bq0 n THR 57 N -1.16 0.00 -3.26 -5.08 -2.24 -1.26 -4.19 114.28 97.09 1bq0 n THR 57 Ca 0.13 -0.22 -0.20 0.00 -2.27 0.00 0.00 64.05 61.49 1bq0 n THR 57 Cb 0.13 0.61 0.03 0.00 -2.10 0.00 0.00 70.33 69.00 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 -3.32 5.13 -0.14 3.42 2.15 -1.00 -4.77 116.67 118.14 1bq0 s ASP 58 Ca 0.01 -0.82 0.11 0.00 0.43 0.00 0.00 52.55 52.28 1bq0 s ASP 58 Cb 0.13 0.00 -0.16 0.00 -0.30 0.00 0.00 42.92 42.59 1bq0 s ASP 58 CO 0.76 -1.09 0.02 -0.24 -0.17 0.00 0.00 175.17 174.45 1bq0 n SER 59 N -1.98 1.78 -0.06 -0.34 2.88 -1.26 -4.52 113.62 110.12 1bq0 n SER 59 Ca 0.09 -0.01 -0.14 0.00 -1.33 0.00 0.00 58.87 57.48 1bq0 n SER 59 Cb 0.62 0.68 -0.14 0.00 -0.75 0.00 0.00 64.21 64.62 1bq0 n SER 59 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bq0 n GLN 60 N -2.57 0.68 -0.28 -1.46 10.64 -1.26 -4.14 117.38 118.99 1bq0 n GLN 60 Ca -0.23 0.18 0.16 0.00 -1.83 0.00 0.00 57.00 55.27 1bq0 n GLN 60 Cb 0.93 -1.64 0.44 0.00 -0.86 0.00 0.00 30.24 29.11 1bq0 n GLN 60 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 1bq0 h LYS 61 N 0.02 0.54 0.00 2.61 3.64 -1.84 2.68 116.57 124.22 1bq0 h LYS 61 Ca -0.46 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1bq0 h LYS 61 Cb 2.05 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.75 1bq0 h LYS 61 CO 0.03 0.36 -0.04 0.00 -2.27 0.00 0.00 179.45 177.52 1bq0 h ARG 62 N 0.56 0.00 0.00 1.90 3.08 -1.72 2.45 114.38 120.65 1bq0 h ARG 62 Ca 0.50 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.53 1bq0 h ARG 62 Cb 1.03 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 1bq0 h ARG 62 CO -0.24 0.04 -1.98 0.00 -1.07 0.00 0.00 179.97 176.73 1bq0 n ALA 63 N -2.42 2.73 -0.08 0.04 0.00 0.53 -3.51 120.51 117.80 1bq0 n ALA 63 Ca -0.03 -0.55 -0.13 0.00 0.00 0.00 0.00 53.44 52.74 1bq0 n ALA 63 Cb 0.13 -0.74 -0.07 0.00 0.00 0.00 0.00 19.45 18.77 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 1.95 0.12 -0.28 0.00 0.00 0.56 -3.39 119.26 118.22 1bq0 h ALA 64 Ca -0.03 -0.78 -0.12 0.00 0.00 0.00 0.00 54.91 53.98 1bq0 h ALA 64 Cb 1.06 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1bq0 h ALA 64 CO 0.00 0.50 -0.32 -0.92 0.00 0.00 0.00 179.25 178.52 1bq0 h TYR 65 N -1.00 0.68 -0.50 0.00 3.20 0.39 -0.67 116.97 119.07 1bq0 h TYR 65 Ca -0.16 -0.17 0.15 0.00 3.14 0.00 0.00 58.73 61.69 1bq0 h TYR 65 Cb 0.87 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 1bq0 h TYR 65 CO -0.01 0.84 0.58 0.38 -1.64 0.00 0.00 178.16 178.31 1bq0 h ASP 66 N 0.50 0.00 0.00 -2.11 2.03 -1.58 -0.60 116.42 114.66 1bq0 h ASP 66 Ca 0.06 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.36 1bq0 h ASP 66 Cb 0.80 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.30 1bq0 h ASP 66 CO 0.07 0.00 -0.21 0.00 -1.03 0.00 0.00 179.24 178.07 1bq0 n GLN 67 N -3.58 5.59 -0.50 4.15 10.64 -1.02 -5.05 117.38 127.61 1bq0 n GLN 67 Ca 0.10 -0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.27 1bq0 n GLN 67 Cb 0.77 -0.68 0.00 0.00 -0.86 0.00 0.00 30.24 29.47 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 -1.11 -0.34 0.00 2.61 4.01 -0.23 -4.94 117.16 117.16 1bq0 n TYR 68 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1bq0 n TYR 68 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 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 5.00 0.21 0.00 2.72 0.00 -1.26 -4.80 105.19 107.05 1bq0 n GLY 69 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 0.17 1.61 -0.00 -1.26 -4.85 115.22 110.89 1bq0 n HIS 70 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.75 1bq0 n HIS 70 Cb 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 29.99 30.17 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 3.11 -0.42 1.57 0.00 -1.26 -4.48 120.51 116.04 1bq0 n ALA 71 Ca 0.00 -0.85 0.36 0.00 0.00 0.00 0.00 53.44 52.95 1bq0 n ALA 71 Cb 0.00 -1.06 0.63 0.00 0.00 0.00 0.00 19.45 19.02 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 0.29 1.23 -0.01 0.00 0.00 -1.26 -2.17 120.51 118.58 1bq0 n ALA 72 Ca 0.12 0.86 -0.01 0.00 0.00 0.00 0.00 53.44 54.41 1bq0 n ALA 72 Cb 0.67 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.10 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 -4.74 0.00 0.00 0.00 3.72 -1.26 -5.07 117.46 110.11 1bq0 n PHE 73 Ca 0.38 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.78 1bq0 n PHE 73 Cb 1.43 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 39.88 1bq0 n PHE 73 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1bq0 n GLU 74 N -2.14 0.00 -1.55 -1.08 0.28 -0.92 -4.98 120.64 110.24 1bq0 n GLU 74 Ca -0.03 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.78 1bq0 n GLU 74 Cb 0.56 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.35 1bq0 n GLU 74 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1bq0 n GLN 75 N 0.00 -1.43 -0.50 3.44 -0.06 -1.26 -4.08 117.38 113.49 1bq0 n GLN 75 Ca 0.00 1.14 0.00 0.00 -2.00 0.00 0.00 57.00 56.14 1bq0 n GLN 75 Cb 0.00 -5.50 0.00 0.00 -4.06 0.00 0.00 30.24 20.68 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 -0.34 0.66 0.00 1.69 0.00 -1.26 -4.85 105.19 101.08 1bq0 n GLY 76 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1bq0 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93