#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 1.91 -0.21 0.00 -2.85 -1.26 -5.16 119.74 112.17 1bq0 s LYS 2 Ca 0.00 -2.16 -0.09 0.00 -1.00 0.00 0.00 55.97 52.72 1bq0 s LYS 2 Cb 0.00 -0.66 0.08 0.00 -2.06 0.00 0.00 37.83 35.20 1bq0 s LYS 2 CO 0.00 -0.45 0.48 -0.65 0.10 0.00 0.00 175.35 174.84 1bq0 s GLN 3 N -3.73 0.44 1.00 1.78 -1.52 -1.26 -5.15 119.66 111.21 1bq0 s GLN 3 Ca 0.24 1.03 -0.16 0.00 -1.95 0.00 0.00 55.36 54.52 1bq0 s GLN 3 Cb 0.03 0.24 0.08 0.00 -0.22 0.00 0.00 33.01 33.15 1bq0 s GLN 3 CO 0.14 -0.20 -0.09 -3.47 -0.25 0.00 0.00 175.29 171.43 1bq0 n ASP 4 N 4.83 -2.74 -0.69 5.90 2.03 -1.26 -4.90 116.55 119.72 1bq0 n ASP 4 Ca -0.16 -0.23 0.09 0.00 0.52 0.00 0.00 54.79 55.02 1bq0 n ASP 4 Cb 0.53 -0.76 0.06 0.00 -0.72 0.00 0.00 41.12 40.23 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 -4.18 0.00 0.09 -0.67 4.02 -1.26 -4.10 117.16 111.06 1bq0 n TYR 5 Ca 0.03 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.91 1bq0 n TYR 5 Cb 0.47 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.75 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 3.38 0.00 0.00 -0.72 5.03 -1.91 -3.23 116.97 119.53 1bq0 h TYR 6 Ca 0.00 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.26 1bq0 h TYR 6 Cb 0.75 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.02 1bq0 h TYR 6 CO 0.00 0.66 -0.97 1.49 -1.32 0.00 0.00 178.16 178.02 1bq0 h GLU 7 N 0.00 0.00 -0.13 1.82 4.81 -1.84 -3.32 114.58 115.92 1bq0 h GLU 7 Ca -0.05 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1bq0 h GLU 7 Cb 1.55 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.92 1bq0 h GLU 7 CO 0.08 0.11 0.09 0.82 -0.73 0.00 0.00 179.01 179.38 1bq0 h ILE 8 N 0.00 1.00 -0.16 2.32 5.03 -1.70 -0.52 117.51 123.48 1bq0 h ILE 8 Ca -0.04 -0.04 -0.02 0.00 -0.12 0.00 0.00 64.86 64.64 1bq0 h ILE 8 Cb 1.19 0.87 -0.01 0.00 -3.03 0.00 0.00 36.82 35.84 1bq0 h ILE 8 CO 0.02 0.02 0.02 0.18 -0.68 0.00 0.00 178.15 177.71 1bq0 n LEU 9 N -4.51 2.41 -1.32 1.44 7.99 -1.25 -4.80 117.00 116.96 1bq0 n LEU 9 Ca -0.01 -1.22 -0.15 0.00 -0.01 0.00 0.00 56.01 54.62 1bq0 n LEU 9 Cb 0.13 -0.55 -0.06 0.00 -0.11 0.00 0.00 43.42 42.82 1bq0 n LEU 9 CO 0.34 0.38 -0.14 0.61 -1.51 0.00 0.00 177.39 177.07 1bq0 n GLY 10 N 0.15 1.44 3.94 -0.72 0.00 -0.20 -4.51 105.19 105.29 1bq0 n GLY 10 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.26 2.14 -1.29 1.61 1.01 -1.25 -4.95 120.40 115.41 1bq0 s VAL 11 Ca 0.00 -0.23 0.11 0.00 0.00 0.00 0.00 61.98 61.86 1bq0 s VAL 11 Cb 0.00 -2.91 0.44 0.00 0.00 0.00 0.00 36.38 33.90 1bq0 s VAL 11 CO 0.00 0.00 1.28 -1.54 0.00 0.00 0.00 175.10 174.84 1bq0 n SER 12 N -3.20 3.08 -1.49 3.32 3.41 -1.26 -4.68 113.62 112.80 1bq0 n SER 12 Ca 0.11 -2.27 -0.01 0.00 -0.26 0.00 0.00 58.87 56.44 1bq0 n SER 12 Cb 0.60 -0.45 -0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1bq0 n SER 12 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1bq0 n LYS 13 N 0.58 -1.63 0.00 4.33 2.85 -1.26 -4.38 118.16 118.65 1bq0 n LYS 13 Ca 0.16 0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.46 1bq0 n LYS 13 Cb 0.59 -4.21 0.00 0.00 -0.65 0.00 0.00 35.03 30.76 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 -1.53 0.00 -0.27 0.58 -2.24 -1.26 -5.05 114.28 104.51 1bq0 n THR 14 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1bq0 n THR 14 Cb 0.18 1.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 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 0.00 0.00 -2.12 6.98 0.00 -1.26 -5.13 120.51 118.98 1bq0 n ALA 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1bq0 n ALA 15 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 0.02 0.00 1.02 -1.26 -5.01 120.64 115.41 1bq0 n GLU 16 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 1bq0 n GLU 16 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 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 0.00 -0.65 3.49 5.08 -1.94 -3.14 114.58 117.42 1bq0 h GLU 17 Ca 0.00 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.47 1bq0 h GLU 17 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1bq0 h GLU 17 CO 0.00 0.39 0.44 0.07 -1.00 0.00 0.00 179.01 178.90 1bq0 h ARG 18 N 0.00 0.43 0.00 2.33 -0.00 -1.99 0.13 114.38 115.28 1bq0 h ARG 18 Ca -0.19 -0.03 -0.38 0.00 -0.00 0.00 0.00 59.98 59.38 1bq0 h ARG 18 Cb 1.72 -0.10 -0.07 0.00 -0.00 0.00 0.00 29.97 31.53 1bq0 h ARG 18 CO 0.06 0.28 -2.44 -1.91 -0.00 0.00 0.00 179.97 175.97 1bq0 n GLU 19 N -4.47 0.67 0.29 0.08 2.13 -1.26 -3.59 120.64 114.49 1bq0 n GLU 19 Ca 0.11 0.09 0.20 0.00 0.66 0.00 0.00 57.16 58.22 1bq0 n GLU 19 Cb 0.40 -1.52 1.00 0.00 0.27 0.00 0.00 31.44 31.59 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 0.03 6.31 5.03 -1.46 2.64 117.51 130.07 1bq0 h ILE 20 Ca -0.57 -0.10 -0.30 0.00 -0.12 0.00 0.00 64.86 63.78 1bq0 h ILE 20 Cb 2.04 1.00 -0.04 0.00 -3.03 0.00 0.00 36.82 36.79 1bq0 h ILE 20 CO -0.04 0.00 -1.69 0.08 -0.68 0.00 0.00 178.15 175.82 1bq0 h ARG 21 N 0.00 0.06 0.00 2.37 0.11 -0.87 -1.67 114.38 114.38 1bq0 h ARG 21 Ca 0.00 -0.11 -0.17 0.00 0.10 0.00 0.00 59.98 59.80 1bq0 h ARG 21 Cb 0.11 0.04 -0.03 0.00 1.11 0.00 0.00 29.97 31.20 1bq0 h ARG 21 CO 0.00 0.69 -1.83 1.17 0.10 0.00 0.00 179.97 180.10 1bq0 n LYS 22 N -3.17 0.65 -0.06 0.08 4.81 -0.69 -3.85 118.16 115.93 1bq0 n LYS 22 Ca -0.18 0.03 -0.17 0.00 -0.87 0.00 0.00 58.31 57.13 1bq0 n LYS 22 Cb 1.04 -1.65 -0.13 0.00 0.02 0.00 0.00 35.03 34.32 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 1.50 0.06 -0.97 3.14 0.00 0.45 0.73 119.26 124.16 1bq0 h ALA 23 Ca -0.22 -0.71 0.26 0.00 0.00 0.00 0.00 54.91 54.24 1bq0 h ALA 23 Cb 1.58 0.20 -0.13 0.00 0.00 0.00 0.00 17.79 19.44 1bq0 h ALA 23 CO 0.03 0.24 0.51 -0.92 0.00 0.00 0.00 179.25 179.10 1bq0 h TYR 24 N -0.90 0.85 0.16 0.00 5.03 -1.37 2.31 116.97 123.05 1bq0 h TYR 24 Ca -0.11 0.04 -0.35 0.00 2.58 0.00 0.00 58.73 60.89 1bq0 h TYR 24 Cb 1.18 -0.22 -0.00 0.00 1.55 0.00 0.00 36.73 39.24 1bq0 h TYR 24 CO 0.22 -0.05 -1.79 0.87 -1.32 0.00 0.00 178.16 176.09 1bq0 h LYS 25 N 0.43 0.33 -0.17 1.82 1.57 -1.67 -1.74 116.57 117.15 1bq0 h LYS 25 Ca 0.64 -0.57 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 1bq0 h LYS 25 Cb 1.30 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.81 1bq0 h LYS 25 CO -0.54 1.27 -0.29 -0.09 -0.57 0.00 0.00 179.45 179.23 1bq0 h ARG 26 N 0.03 0.33 0.00 3.15 1.12 0.22 -2.49 114.38 116.73 1bq0 h ARG 26 Ca -0.37 -0.12 -0.11 0.00 -1.11 0.00 0.00 59.98 58.26 1bq0 h ARG 26 Cb 2.03 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 31.95 1bq0 h ARG 26 CO 0.13 0.59 -1.27 1.25 -3.11 0.00 0.00 179.97 177.56 1bq0 h LEU 27 N 0.29 0.00 -0.98 3.80 7.12 0.37 -3.31 115.31 122.59 1bq0 h LEU 27 Ca 0.04 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 57.99 1bq0 h LEU 27 Cb 0.66 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.78 1bq0 h LEU 27 CO 0.05 0.40 -0.31 0.00 -0.13 0.00 0.00 178.44 178.44 1bq0 h ALA 28 N 1.60 1.00 -0.79 1.25 0.00 -1.14 -2.95 119.26 118.23 1bq0 h ALA 28 Ca -0.11 -0.28 0.19 0.00 0.00 0.00 0.00 54.91 54.71 1bq0 h ALA 28 Cb 1.40 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 19.01 1bq0 h ALA 28 CO 0.03 0.39 0.11 1.98 0.00 0.00 0.00 179.25 181.76 1bq0 h MET 29 N 0.00 0.16 0.00 0.00 1.85 -1.54 3.64 114.93 119.04 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 0.84 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.84 1bq0 h MET 29 CO 0.04 0.10 0.37 0.87 -0.40 0.00 0.00 176.91 177.89 1bq0 h LYS 30 N 0.16 0.00 0.00 0.39 6.56 -1.74 -1.98 116.57 119.97 1bq0 h LYS 30 Ca 0.46 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.05 1bq0 h LYS 30 Cb 0.84 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.50 1bq0 h LYS 30 CO -0.64 0.00 -0.95 0.66 -2.06 0.00 0.00 179.45 176.46 1bq0 n TYR 31 N -2.82 0.00 -0.83 -1.35 4.01 0.99 -5.01 117.16 112.15 1bq0 n TYR 31 Ca -0.02 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.42 1bq0 n TYR 31 Cb 0.41 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.47 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 -1.61 -4.29 0.00 -0.72 8.25 0.97 -4.42 115.22 113.40 1bq0 n HIS 32 Ca 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1bq0 n HIS 32 Cb 0.18 -1.18 0.00 0.00 1.12 0.00 0.00 29.99 30.11 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 2.07 1.84 0.00 -0.41 -0.04 -1.26 -2.93 135.00 134.27 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 0.47 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 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 -0.03 3.54 -0.08 -1.26 -2.79 116.55 115.93 1bq0 n ASP 34 Ca 0.00 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.19 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 0.64 0.00 -0.67 1.85 -1.26 -4.14 116.66 113.08 1bq0 n ARG 35 Ca 0.00 0.28 -0.05 0.00 -1.00 0.00 0.00 57.85 57.07 1bq0 n ARG 35 Cb 0.00 -1.78 -0.12 0.00 -1.05 0.00 0.00 32.46 29.52 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 -3.38 2.89 4.21 -1.39 -3.49 115.58 114.41 1bq0 h ASN 36 Ca -0.30 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.20 1bq0 h ASN 36 Cb 2.03 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 39.24 1bq0 h ASN 36 CO 0.08 0.85 -0.04 0.00 -1.29 0.00 0.00 177.43 177.03 1bq0 n GLN 37 N -3.00 -0.25 0.00 0.81 6.02 -1.26 -3.88 117.38 115.82 1bq0 n GLN 37 Ca -0.14 0.52 0.00 0.00 -0.01 0.00 0.00 57.00 57.37 1bq0 n GLN 37 Cb 0.97 -2.18 0.00 0.00 1.02 0.00 0.00 30.24 30.05 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 -1.21 0.89 0.00 1.08 0.00 -1.26 -4.46 105.19 100.22 1bq0 n GLY 38 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 2.08 0.00 0.00 1.61 8.00 -1.25 -4.58 116.55 122.40 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 4.01 -1.26 -2.32 118.16 117.39 1bq0 n LYS 40 Ca 0.00 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 57.92 1bq0 n LYS 40 Cb 0.00 0.00 0.18 0.00 -0.51 0.00 0.00 35.03 34.70 1bq0 n LYS 40 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 1bq0 n GLU 41 N 0.00 0.21 0.03 1.97 2.13 -1.26 -3.42 120.64 120.31 1bq0 n GLU 41 Ca 0.00 0.05 0.12 0.00 0.66 0.00 0.00 57.16 58.00 1bq0 n GLU 41 Cb 0.00 -1.63 0.27 0.00 0.27 0.00 0.00 31.44 30.35 1bq0 n GLU 41 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bq0 n ALA 42 N -1.74 3.06 -0.14 4.31 0.00 -0.98 -3.48 120.51 121.55 1bq0 n ALA 42 Ca 0.04 -0.26 -0.04 0.00 0.00 0.00 0.00 53.44 53.18 1bq0 n ALA 42 Cb 0.41 -1.20 0.05 0.00 0.00 0.00 0.00 19.45 18.70 1bq0 n ALA 42 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1bq0 h GLU 43 N 0.00 0.31 0.00 0.00 4.22 -1.79 3.04 114.58 120.36 1bq0 h GLU 43 Ca 0.00 -0.02 -0.11 0.00 0.08 0.00 0.00 59.36 59.32 1bq0 h GLU 43 Cb 0.62 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1bq0 h GLU 43 CO 0.00 0.20 -1.13 0.00 -2.18 0.00 0.00 179.01 175.90 1bq0 h ALA 44 N 1.30 0.62 0.13 2.92 0.00 -1.80 -3.31 119.26 119.12 1bq0 h ALA 44 Ca 0.21 -0.52 -0.34 0.00 0.00 0.00 0.00 54.91 54.26 1bq0 h ALA 44 Cb 0.22 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1bq0 h ALA 44 CO -0.23 0.58 -1.78 -0.22 0.00 0.00 0.00 179.25 177.60 1bq0 h LYS 45 N 0.00 0.26 -0.53 0.00 1.63 -1.48 -2.56 116.57 113.90 1bq0 h LYS 45 Ca -0.09 -0.45 0.14 0.00 -0.85 0.00 0.00 60.65 59.40 1bq0 h LYS 45 Cb 1.37 0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 33.14 1bq0 h LYS 45 CO 0.03 1.13 0.37 0.35 -3.45 0.00 0.00 179.45 177.89 1bq0 h PHE 46 N 0.07 0.07 -0.02 1.91 3.57 0.54 2.13 116.94 125.20 1bq0 h PHE 46 Ca -0.34 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.11 1bq0 h PHE 46 Cb 2.05 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.77 1bq0 h PHE 46 CO 0.07 0.03 -0.17 1.57 -2.23 0.00 0.00 178.31 177.57 1bq0 h LYS 47 N 0.06 0.16 -0.01 1.11 2.10 -1.65 2.28 116.57 120.62 1bq0 h LYS 47 Ca 0.25 -0.14 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 1bq0 h LYS 47 Cb 0.92 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.28 1bq0 h LYS 47 CO -0.02 0.83 0.25 0.93 -2.00 0.00 0.00 179.45 179.44 1bq0 h GLU 48 N -0.46 0.00 0.00 0.07 4.39 0.12 3.46 114.58 122.16 1bq0 h GLU 48 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1bq0 h GLU 48 Cb 0.87 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 1bq0 h GLU 48 CO 0.04 0.00 -0.04 -0.89 -1.16 0.00 0.00 179.01 176.96 1bq0 n ILE 49 N -2.97 0.08 0.30 3.13 2.08 0.64 -3.59 119.36 119.03 1bq0 n ILE 49 Ca -0.02 0.48 0.12 0.00 0.56 0.00 0.00 62.75 63.90 1bq0 n ILE 49 Cb 0.31 -1.55 0.20 0.00 -0.75 0.00 0.00 39.64 37.85 1bq0 n ILE 49 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 1bq0 h LYS 50 N -0.05 0.00 0.00 0.38 3.64 0.39 0.95 116.57 121.88 1bq0 h LYS 50 Ca 0.00 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.13 1bq0 h LYS 50 Cb 0.04 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 1bq0 h LYS 50 CO 0.00 0.00 -1.53 1.49 -2.27 0.00 0.00 179.45 177.14 1bq0 h GLU 51 N 0.00 0.00 0.00 1.90 4.57 0.60 -2.93 114.58 118.72 1bq0 h GLU 51 Ca 0.00 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.01 1bq0 h GLU 51 Cb 0.94 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.50 1bq0 h GLU 51 CO 0.00 0.52 -0.97 0.00 -1.18 0.00 0.00 179.01 177.38 1bq0 h ALA 52 N 1.09 0.19 -0.03 2.92 0.00 0.69 -3.35 119.26 120.77 1bq0 h ALA 52 Ca -0.22 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.69 1bq0 h ALA 52 Cb 1.89 0.59 0.00 0.00 0.00 0.00 0.00 17.79 20.27 1bq0 h ALA 52 CO 0.08 0.56 0.00 2.48 0.00 0.00 0.00 179.25 182.37 1bq0 n TYR 53 N -4.49 0.06 0.12 0.00 4.11 0.33 -3.38 117.16 113.90 1bq0 n TYR 53 Ca -0.25 -0.03 0.00 0.00 -0.00 0.00 0.00 57.90 57.62 1bq0 n TYR 53 Cb 0.59 -0.03 -0.01 0.00 -0.00 0.00 0.00 39.34 39.89 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 0.20 0.00 -0.02 -3.48 4.81 -1.65 -3.27 114.58 111.17 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 0.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1bq0 h GLU 54 CO 0.01 0.60 -0.08 1.33 -0.73 0.00 0.00 179.01 180.13 1bq0 n VAL 55 N -3.23 0.00 0.80 0.32 0.24 -1.22 -4.32 118.33 110.92 1bq0 n VAL 55 Ca 0.01 -0.46 0.08 0.00 -2.04 0.00 0.00 64.34 61.93 1bq0 n VAL 55 Cb 0.79 1.27 0.43 0.00 -1.47 0.00 0.00 33.84 34.85 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 0.55 0.00 -0.07 1.34 4.77 -1.23 -2.73 117.00 119.62 1bq0 n LEU 56 Ca 0.08 0.30 -0.09 0.00 -0.03 0.00 0.00 56.01 56.27 1bq0 n LEU 56 Cb 0.34 -0.30 -0.09 0.00 -2.33 0.00 0.00 43.42 41.04 1bq0 n LEU 56 CO 0.11 -0.13 -0.98 1.07 -1.33 0.00 0.00 177.39 176.13 1bq0 n THR 57 N -1.30 0.92 -3.37 -5.08 5.66 -1.26 -4.74 114.28 105.10 1bq0 n THR 57 Ca 0.08 -0.46 -0.32 0.00 -3.05 0.00 0.00 64.05 60.29 1bq0 n THR 57 Cb 0.14 -0.86 -0.06 0.00 -1.55 0.00 0.00 70.33 68.01 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 -5.08 6.67 -0.10 1.09 -1.08 -1.11 -4.98 116.67 112.08 1bq0 s ASP 58 Ca -0.14 0.99 0.18 0.00 -0.52 0.00 0.00 52.55 53.05 1bq0 s ASP 58 Cb 0.05 -2.25 -0.24 0.00 -1.46 0.00 0.00 42.92 39.01 1bq0 s ASP 58 CO 0.46 -0.07 0.36 -0.24 0.52 0.00 0.00 175.17 176.20 1bq0 n SER 59 N -0.05 0.26 0.05 -0.34 2.88 -1.26 -3.75 113.62 111.40 1bq0 n SER 59 Ca 0.00 0.12 -0.02 0.00 -1.33 0.00 0.00 58.87 57.64 1bq0 n SER 59 Cb 0.52 0.91 0.23 0.00 -0.75 0.00 0.00 64.21 65.12 1bq0 n SER 59 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 1bq0 h GLN 60 N 0.00 0.40 0.05 -1.46 3.07 -1.94 -2.99 115.11 112.24 1bq0 h GLN 60 Ca -0.34 -0.15 -0.22 0.00 0.09 0.00 0.00 58.65 58.03 1bq0 h GLN 60 Cb 1.86 -0.02 0.02 0.00 0.08 0.00 0.00 27.48 29.42 1bq0 h GLN 60 CO 0.03 0.64 -0.90 0.87 0.09 0.00 0.00 178.83 179.57 1bq0 h LYS 61 N 0.35 0.51 -0.64 0.06 1.57 -1.88 -3.21 116.57 113.33 1bq0 h LYS 61 Ca 0.05 -0.62 0.11 0.00 -1.87 0.00 0.00 60.65 58.31 1bq0 h LYS 61 Cb 0.67 0.19 -0.12 0.00 0.08 0.00 0.00 32.23 33.06 1bq0 h LYS 61 CO 0.05 1.25 -0.37 0.00 -0.57 0.00 0.00 179.45 179.80 1bq0 h ARG 62 N 0.06 -0.15 -0.92 3.15 2.47 -1.61 3.22 114.38 120.60 1bq0 h ARG 62 Ca -0.13 0.01 0.24 0.00 -1.26 0.00 0.00 59.98 58.84 1bq0 h ARG 62 Cb 1.60 0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 29.90 1bq0 h ARG 62 CO 0.17 -0.10 0.63 0.00 0.56 0.00 0.00 179.97 181.23 1bq0 h ALA 63 N 0.94 2.50 0.00 0.04 0.00 -1.58 2.67 119.26 123.83 1bq0 h ALA 63 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1bq0 h ALA 63 Cb 0.56 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1bq0 h ALA 63 CO -0.72 -0.79 -0.15 0.00 0.00 0.00 0.00 179.25 177.59 1bq0 h ALA 64 N 1.58 0.00 -0.30 0.00 0.00 0.37 -3.24 119.26 117.68 1bq0 h ALA 64 Ca 0.47 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1bq0 h ALA 64 Cb 1.46 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1bq0 h ALA 64 CO -0.11 0.15 0.20 -0.92 0.00 0.00 0.00 179.25 178.56 1bq0 h TYR 65 N -0.73 0.31 0.00 0.00 3.20 0.51 0.10 116.97 120.37 1bq0 h TYR 65 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1bq0 h TYR 65 Cb 0.15 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.31 1bq0 h TYR 65 CO -0.06 0.19 0.00 0.38 -1.64 0.00 0.00 178.16 177.03 1bq0 h ASP 66 N 0.33 0.00 0.00 -2.11 2.03 0.46 -3.21 116.42 113.91 1bq0 h ASP 66 Ca 0.12 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 1bq0 h ASP 66 Cb 0.07 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.57 1bq0 h ASP 66 CO -0.03 0.00 -1.11 0.00 -1.03 0.00 0.00 179.24 177.08 1bq0 n GLN 67 N -2.71 1.55 0.00 4.15 -0.00 -0.46 -4.88 117.38 115.03 1bq0 n GLN 67 Ca 0.03 -0.06 0.00 0.00 -0.00 0.00 0.00 57.00 56.97 1bq0 n GLN 67 Cb 0.39 -1.22 0.00 0.00 -0.00 0.00 0.00 30.24 29.41 1bq0 n GLN 67 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1bq0 n TYR 68 N -1.63 0.00 -2.63 2.61 4.01 0.24 -4.81 117.16 114.95 1bq0 n TYR 68 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.69 1bq0 n TYR 68 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.30 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 3.86 -0.49 0.00 2.72 0.00 -1.25 -4.63 105.19 105.40 1bq0 n GLY 69 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.82 0.00 0.11 1.61 -0.00 -1.26 -4.95 115.22 107.91 1bq0 n HIS 70 Ca -0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.61 1bq0 n HIS 70 Cb 0.52 0.00 0.08 0.00 -0.00 0.00 0.00 29.99 30.59 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 3.70 -0.34 1.57 0.00 -1.26 -4.55 120.51 116.64 1bq0 n ALA 71 Ca 0.00 -1.14 0.19 0.00 0.00 0.00 0.00 53.44 52.49 1bq0 n ALA 71 Cb 0.00 -1.17 0.37 0.00 0.00 0.00 0.00 19.45 18.65 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 1.70 1.45 0.00 0.00 0.00 -1.92 -3.33 119.26 117.16 1bq0 h ALA 72 Ca 0.24 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1bq0 h ALA 72 Cb 1.71 0.53 0.00 0.00 0.00 0.00 0.00 17.79 20.02 1bq0 h ALA 72 CO 0.43 -0.68 -0.33 1.19 0.00 0.00 0.00 179.25 179.86 1bq0 n PHE 73 N -5.43 -0.23 0.00 0.00 3.01 -1.26 -4.99 117.46 108.56 1bq0 n PHE 73 Ca 0.27 0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.78 1bq0 n PHE 73 Cb 0.91 0.08 0.00 0.00 -0.01 0.00 0.00 39.48 40.46 1bq0 n PHE 73 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1bq0 n GLU 74 N -3.28 0.00 -3.20 -1.08 1.02 -1.25 -3.34 120.64 109.50 1bq0 n GLU 74 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.90 1bq0 n GLU 74 Cb 0.17 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.53 1bq0 n GLU 74 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1bq0 n GLN 75 N 0.00 1.70 0.00 3.49 1.13 -1.26 -4.97 117.38 117.47 1bq0 n GLN 75 Ca 0.00 -3.93 0.00 0.00 -1.94 0.00 0.00 57.00 51.13 1bq0 n GLN 75 Cb 0.00 -1.78 0.00 0.00 0.11 0.00 0.00 30.24 28.57 1bq0 n GLN 75 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bq0 n GLY 76 N 0.68 0.79 0.00 1.08 0.00 -1.21 -5.26 105.19 101.27 1bq0 n GLY 76 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1bq0 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93