#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0q n VAL 4 N 0.00 0.00 -0.11 0.00 0.24 -1.26 -5.02 118.33 112.17 1j0q n VAL 4 Ca 0.00 -0.18 -0.21 0.00 -2.04 0.00 0.00 64.34 61.90 1j0q n VAL 4 Cb 0.00 -0.95 -0.07 0.00 -1.47 0.00 0.00 33.84 31.35 1j0q n VAL 4 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1j0q n LYS 5 N -4.29 0.54 -1.41 7.34 5.02 -1.26 -5.14 118.16 118.95 1j0q n LYS 5 Ca 0.10 0.23 0.17 0.00 -2.02 0.00 0.00 58.31 56.79 1j0q n LYS 5 Cb 0.43 -1.41 -0.09 0.00 -0.02 0.00 0.00 35.03 33.93 1j0q n LYS 5 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1j0q n TYR 6 N -4.26 -3.79 -3.75 2.13 4.02 -1.26 -5.03 117.16 105.22 1j0q n TYR 6 Ca -0.38 2.09 -0.13 0.00 -0.01 0.00 0.00 57.90 59.47 1j0q n TYR 6 Cb 0.74 -3.45 -0.14 0.00 -0.02 0.00 0.00 39.34 36.47 1j0q n TYR 6 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1j0q s TYR 7 N -4.19 -0.24 0.38 -0.72 1.51 0.52 -4.80 117.35 109.81 1j0q s TYR 7 Ca 0.00 0.60 -0.08 0.00 -1.01 0.00 0.00 57.07 56.58 1j0q s TYR 7 Cb 0.00 -0.01 -0.06 0.00 -0.11 0.00 0.00 41.96 41.79 1j0q s TYR 7 CO 0.00 -0.18 0.70 0.95 -1.11 0.00 0.00 175.55 175.91 1j0q s THR 8 N 1.04 4.88 0.33 -0.71 -4.23 -1.26 -0.37 115.64 115.31 1j0q s THR 8 Ca -0.08 0.38 0.09 0.00 -1.18 0.00 0.00 61.69 60.90 1j0q s THR 8 Cb -0.09 -3.75 0.32 0.00 1.34 0.00 0.00 72.50 70.31 1j0q s THR 8 CO -0.06 -0.50 1.78 0.25 -0.54 0.00 0.00 174.62 175.55 1j0q h LEU 9 N 1.25 0.70 -0.29 4.79 6.46 -1.95 0.13 115.31 126.41 1j0q h LEU 9 Ca -0.47 0.09 0.03 0.00 -0.12 0.00 0.00 57.88 57.41 1j0q h LEU 9 Cb 1.19 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 41.04 1j0q h LEU 9 CO 0.64 0.23 -0.29 -0.08 -0.62 0.00 0.00 178.44 178.32 1j0q h GLU 10 N 0.67 -0.15 -0.81 1.25 4.81 -1.99 0.14 114.58 118.50 1j0q h GLU 10 Ca 0.57 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.81 1j0q h GLU 10 Cb 1.02 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.39 1j0q h GLU 10 CO -0.36 -0.10 0.47 0.93 -0.73 0.00 0.00 179.01 179.23 1j0q h GLU 11 N -0.15 1.12 -0.29 1.92 4.39 -1.44 0.50 114.58 120.63 1j0q h GLU 11 Ca 0.05 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 1j0q h GLU 11 Cb 0.28 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1j0q h GLU 11 CO -0.35 0.80 0.05 0.82 -1.16 0.00 0.00 179.01 179.17 1j0q h ILE 12 N 1.12 1.23 -0.07 3.13 2.04 -0.25 0.63 117.51 125.34 1j0q h ILE 12 Ca 0.29 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.40 1j0q h ILE 12 Cb -0.01 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1j0q h ILE 12 CO -0.05 0.25 -0.19 1.56 0.00 0.00 0.00 178.15 179.73 1j0q h GLN 13 N 0.30 -0.26 -0.73 2.37 4.20 -0.50 -2.81 115.11 117.69 1j0q h GLN 13 Ca 0.09 0.02 0.16 0.00 0.06 0.00 0.00 58.65 58.98 1j0q h GLN 13 Cb 0.33 0.06 -0.13 0.00 0.30 0.00 0.00 27.48 28.04 1j0q h GLN 13 CO 0.00 -0.17 0.00 -0.22 -0.67 0.00 0.00 178.83 177.77 1j0q h LYS 14 N -0.27 0.10 -3.77 1.46 1.63 -0.20 -3.02 116.57 112.50 1j0q h LYS 14 Ca 0.08 -0.01 -0.71 0.00 -0.85 0.00 0.00 60.65 59.16 1j0q h LYS 14 Cb 0.38 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.94 1j0q h LYS 14 CO -0.22 0.07 3.09 0.72 -3.45 0.00 0.00 179.45 179.65 1j0q n HIS 15 N -5.33 3.29 -2.13 1.91 8.25 0.15 -4.04 115.22 117.32 1j0q n HIS 15 Ca 0.12 -2.97 0.00 0.00 -0.26 0.00 0.00 57.72 54.62 1j0q n HIS 15 Cb 0.44 -2.46 -0.00 0.00 1.12 0.00 0.00 29.99 29.09 1j0q n HIS 15 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1j0q n ASN 16 N 5.40 0.16 -3.05 0.41 0.23 -1.08 -0.63 115.26 116.69 1j0q n ASN 16 Ca 0.54 -1.82 0.02 0.00 -0.53 0.00 0.00 54.58 52.80 1j0q n ASN 16 Cb 0.36 -0.14 -0.00 0.00 -2.08 0.00 0.00 39.78 37.92 1j0q n ASN 16 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1j0q s ASN 17 N -1.08 -1.00 -0.50 0.53 2.47 -1.20 -4.92 114.94 109.24 1j0q s ASN 17 Ca 0.09 -0.31 -0.00 0.00 0.42 0.00 0.00 52.86 53.05 1j0q s ASN 17 Cb 0.10 1.37 0.00 0.00 -1.45 0.00 0.00 41.25 41.27 1j0q s ASN 17 CO -0.04 -0.13 0.42 -1.20 -3.72 0.00 0.00 177.10 172.42 1j0q n SER 18 N 4.43 -2.22 0.00 -4.21 7.64 -1.26 -4.81 113.62 113.19 1j0q n SER 18 Ca 0.08 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1j0q n SER 18 Cb 0.59 -2.40 0.00 0.00 -1.01 0.00 0.00 64.21 61.39 1j0q n SER 18 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1j0q n LYS 19 N -2.29 0.00 -3.83 1.43 4.76 -1.26 -5.14 118.16 111.83 1j0q n LYS 19 Ca -0.11 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.29 1j0q n LYS 19 Cb 0.56 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.76 1j0q n LYS 19 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1j0q s SER 20 N -1.00 -0.07 -0.33 4.39 0.01 -1.26 -5.08 113.70 110.37 1j0q s SER 20 Ca 0.00 -0.69 0.04 0.00 1.31 0.00 0.00 55.95 56.60 1j0q s SER 20 Cb 0.00 0.59 0.09 0.00 0.21 0.00 0.00 66.02 66.91 1j0q s SER 20 CO 0.00 -1.15 0.02 -0.89 0.41 0.00 0.00 173.24 171.64 1j0q s THR 21 N -2.66 2.29 -0.03 1.44 2.01 -1.25 -2.64 115.64 114.79 1j0q s THR 21 Ca 0.17 -2.20 -0.03 0.00 0.31 0.00 0.00 61.69 59.94 1j0q s THR 21 Cb -0.03 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 1j0q s THR 21 CO 0.06 -0.49 0.17 0.26 -0.69 0.00 0.00 174.62 173.93 1j0q s TRP 22 N 0.95 3.54 0.07 4.92 0.52 0.19 -1.90 118.94 127.23 1j0q s TRP 22 Ca 0.07 0.38 -0.03 0.00 0.02 0.00 0.00 56.10 56.54 1j0q s TRP 22 Cb -0.19 -1.84 -0.03 0.00 -1.15 0.00 0.00 33.47 30.25 1j0q s TRP 22 CO -0.07 0.66 0.03 -0.51 0.02 0.00 0.00 176.95 177.08 1j0q s LEU 23 N -1.74 2.13 -0.28 2.99 1.02 0.12 0.26 118.68 123.19 1j0q s LEU 23 Ca 0.24 -0.97 -0.08 0.00 0.02 0.00 0.00 54.13 53.34 1j0q s LEU 23 Cb -0.12 0.39 -0.01 0.00 0.02 0.00 0.00 46.19 46.47 1j0q s LEU 23 CO 0.15 -0.65 0.10 -0.63 0.02 0.00 0.00 176.35 175.34 1j0q s ILE 24 N -3.93 4.31 -0.39 -0.59 1.01 -0.51 -0.57 121.20 120.52 1j0q s ILE 24 Ca 0.10 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.36 1j0q s ILE 24 Cb 0.07 -3.14 0.11 0.00 0.01 0.00 0.00 42.46 39.52 1j0q s ILE 24 CO -0.08 0.17 0.15 -0.76 0.00 0.00 0.00 174.94 174.42 1j0q s LEU 25 N 1.58 3.46 -0.36 2.97 1.02 -0.87 -0.81 118.68 125.69 1j0q s LEU 25 Ca 0.05 -2.30 -0.01 0.00 0.02 0.00 0.00 54.13 51.89 1j0q s LEU 25 Cb -0.16 -1.27 -0.01 0.00 0.02 0.00 0.00 46.19 44.76 1j0q s LEU 25 CO 0.04 -0.33 0.31 1.41 0.02 0.00 0.00 176.35 177.79 1j0q n HIS 26 N 4.02 -0.76 0.00 0.29 8.25 -1.26 -3.59 115.22 122.17 1j0q n HIS 26 Ca 0.04 0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 1j0q n HIS 26 Cb 0.38 -3.01 0.00 0.00 1.12 0.00 0.00 29.99 28.48 1j0q n HIS 26 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1j0q n TYR 27 N -2.04 0.00 -0.78 4.41 4.02 -1.26 -4.93 117.16 116.58 1j0q n TYR 27 Ca -0.05 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.54 1j0q n TYR 27 Cb 0.54 0.00 0.17 0.00 -0.02 0.00 0.00 39.34 40.04 1j0q n TYR 27 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1j0q s LYS 28 N 0.00 0.79 -0.06 -0.72 3.01 -1.24 -0.30 119.74 121.22 1j0q s LYS 28 Ca 0.00 1.30 0.06 0.00 -1.01 0.00 0.00 55.97 56.32 1j0q s LYS 28 Cb 0.00 -1.72 -0.01 0.00 -1.01 0.00 0.00 37.83 35.09 1j0q s LYS 28 CO 0.00 -2.71 -0.24 0.08 0.51 0.00 0.00 175.35 172.99 1j0q s VAL 29 N -2.67 2.10 -0.17 3.17 1.01 0.30 -2.04 120.40 122.11 1j0q s VAL 29 Ca 0.66 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 1j0q s VAL 29 Cb -0.22 -1.77 0.04 0.00 0.00 0.00 0.00 36.38 34.43 1j0q s VAL 29 CO 0.59 0.57 -0.06 -0.31 0.00 0.00 0.00 175.10 175.89 1j0q s TYR 30 N -0.10 1.80 -0.15 5.22 1.51 0.26 -1.37 117.35 124.52 1j0q s TYR 30 Ca -0.06 -1.16 -0.10 0.00 -1.01 0.00 0.00 57.07 54.75 1j0q s TYR 30 Cb -0.14 -1.36 -0.05 0.00 -0.11 0.00 0.00 41.96 40.30 1j0q s TYR 30 CO 0.04 -0.63 0.19 0.34 -1.11 0.00 0.00 175.55 174.38 1j0q s ASP 31 N 1.60 6.37 0.05 2.29 -1.08 -0.62 -0.70 116.67 124.59 1j0q s ASP 31 Ca 0.00 0.44 0.00 0.00 -0.52 0.00 0.00 52.55 52.47 1j0q s ASP 31 Cb -0.15 -2.12 0.00 0.00 -1.46 0.00 0.00 42.92 39.19 1j0q s ASP 31 CO -0.08 0.26 0.00 0.18 0.52 0.00 0.00 175.17 176.05 1j0q n LEU 32 N 2.85 0.37 0.00 -1.34 4.77 -0.80 -4.70 117.00 118.15 1j0q n LEU 32 Ca -0.16 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1j0q n LEU 32 Cb 0.53 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1j0q n LEU 32 CO 0.36 -0.34 0.00 0.41 -1.33 0.00 0.00 177.39 176.48 1j0q n THR 33 N -3.15 0.00 -0.13 -5.08 -1.04 -1.26 -1.10 114.28 102.51 1j0q n THR 33 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 1j0q n THR 33 Cb 0.26 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 68.84 1j0q n THR 33 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1j0q h LYS 34 N 0.00 0.89 0.00 -2.82 1.57 -1.97 -3.32 116.57 110.92 1j0q h LYS 34 Ca 0.00 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.43 1j0q h LYS 34 Cb 0.00 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1j0q h LYS 34 CO 0.00 0.97 -0.12 0.35 -0.57 0.00 0.00 179.45 180.08 1j0q h PHE 35 N 0.79 0.00 -0.63 -1.35 3.57 -1.51 0.16 116.94 117.97 1j0q h PHE 35 Ca 0.12 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.80 1j0q h PHE 35 Cb 0.66 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 39.28 1j0q h PHE 35 CO 0.04 0.12 0.00 1.28 -2.23 0.00 0.00 178.31 177.52 1j0q n LEU 36 N -3.41 -0.08 0.20 0.59 4.77 -1.25 -0.51 117.00 117.30 1j0q n LEU 36 Ca -0.01 1.07 -0.11 0.00 -0.03 0.00 0.00 56.01 56.94 1j0q n LEU 36 Cb 0.29 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 40.94 1j0q n LEU 36 CO 0.30 -1.08 0.32 -0.33 -1.33 0.00 0.00 177.39 175.27 1j0q h GLU 37 N 0.00 -0.55 -0.84 3.23 4.39 -1.20 -2.97 114.58 116.65 1j0q h GLU 37 Ca 0.38 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.12 1j0q h GLU 37 Cb 0.77 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1j0q h GLU 37 CO -0.60 -0.28 0.00 0.39 -1.16 0.00 0.00 179.01 177.36 1j0q n GLU 38 N -5.16 0.60 -4.03 2.33 -0.58 0.33 -4.76 120.64 109.37 1j0q n GLU 38 Ca -0.08 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.35 1j0q n GLU 38 Cb 0.26 -1.27 -0.16 0.00 -0.57 0.00 0.00 31.44 29.70 1j0q n GLU 38 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1j0q s HIS 39 N -0.59 2.36 -0.29 -0.32 2.46 -0.79 -5.01 115.29 113.11 1j0q s HIS 39 Ca 0.00 -1.40 -0.31 0.00 0.47 0.00 0.00 55.06 53.82 1j0q s HIS 39 Cb 0.00 -1.67 -0.08 0.00 -0.13 0.00 0.00 32.58 30.70 1j0q s HIS 39 CO 0.00 -0.72 2.23 -2.30 -2.47 0.00 0.00 174.74 171.49 1j0q n PRO 40 N 4.72 1.54 0.00 2.88 -0.02 -1.26 -0.39 135.00 142.47 1j0q n PRO 40 Ca -0.17 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1j0q n PRO 40 Cb 0.49 -2.94 0.00 0.00 -0.02 0.00 0.00 33.50 31.03 1j0q n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j0q n GLY 41 N 6.10 4.09 1.96 -1.23 0.00 -1.26 -5.11 105.19 109.74 1j0q n GLY 41 Ca 0.35 -0.78 0.06 0.00 0.00 0.00 0.00 46.02 45.64 1j0q n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j0q n GLY 42 N 0.00 -2.03 0.37 -0.02 0.00 0.48 -4.42 105.19 99.57 1j0q n GLY 42 Ca 0.00 -1.37 -0.14 0.00 0.00 0.00 0.00 46.02 44.51 1j0q n GLY 42 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1j0q h GLU 43 N 0.00 -0.88 -0.51 1.61 4.81 -1.84 -3.30 114.58 114.48 1j0q h GLU 43 Ca 0.01 0.06 0.10 0.00 -0.13 0.00 0.00 59.36 59.39 1j0q h GLU 43 Cb 0.38 0.20 -0.10 0.00 0.63 0.00 0.00 28.75 29.85 1j0q h GLU 43 CO 0.00 -0.58 -0.30 0.93 -0.73 0.00 0.00 179.01 178.33 1j0q h GLU 44 N -1.14 -0.17 -0.06 1.92 5.08 -1.92 0.27 114.58 118.56 1j0q h GLU 44 Ca -0.09 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1j0q h GLU 44 Cb 0.70 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1j0q h GLU 44 CO 0.15 -0.11 -0.23 -0.24 -1.00 0.00 0.00 179.01 177.58 1j0q h VAL 45 N -0.18 1.20 0.19 3.13 3.04 -1.77 0.17 116.25 122.03 1j0q h VAL 45 Ca 0.22 -0.91 -0.01 0.00 -1.01 0.00 0.00 66.70 64.99 1j0q h VAL 45 Cb 0.53 1.41 0.00 0.00 -2.01 0.00 0.00 31.29 31.22 1j0q h VAL 45 CO -0.61 0.27 -0.09 -0.07 -1.01 0.00 0.00 177.57 176.06 1j0q h LEU 46 N 0.09 -0.21 -0.96 3.16 3.38 -0.70 -3.27 115.31 116.80 1j0q h LEU 46 Ca 0.02 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 1j0q h LEU 46 Cb 0.46 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1j0q h LEU 46 CO 0.03 0.11 -0.07 -0.09 0.09 0.00 0.00 178.44 178.51 1j0q h ARG 47 N -0.56 0.68 -0.93 1.13 2.43 0.30 0.26 114.38 117.69 1j0q h ARG 47 Ca -0.03 -0.20 0.17 0.00 -0.81 0.00 0.00 59.98 59.12 1j0q h ARG 47 Cb 0.42 -0.07 -0.17 0.00 -0.42 0.00 0.00 29.97 29.73 1j0q h ARG 47 CO 0.04 0.74 -0.28 1.49 -1.51 0.00 0.00 179.97 180.45 1j0q h GLU 48 N 0.62 -0.01 0.08 0.20 4.81 -0.82 -2.25 114.58 117.22 1j0q h GLU 48 Ca 0.12 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.07 1j0q h GLU 48 Cb 0.50 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1j0q h GLU 48 CO 0.03 -0.01 -1.33 1.96 -0.73 0.00 0.00 179.01 178.93 1j0q h GLN 49 N -0.01 0.18 -6.99 1.92 1.08 -0.99 -3.48 115.11 106.81 1j0q h GLN 49 Ca 0.41 -0.30 -0.56 0.00 -1.45 0.00 0.00 58.65 56.74 1j0q h GLN 49 Cb 0.65 0.11 0.16 0.00 -0.05 0.00 0.00 27.48 28.36 1j0q h GLN 49 CO -0.95 1.07 0.32 0.00 -0.95 0.00 0.00 178.83 178.31 1j0q n ALA 50 N -2.54 0.62 -3.49 3.87 0.00 0.71 -2.48 120.51 117.19 1j0q n ALA 50 Ca -0.10 -0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.12 1j0q n ALA 50 Cb 1.01 -2.22 0.09 0.00 0.00 0.00 0.00 19.45 18.33 1j0q n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j0q n GLY 51 N 1.08 -0.41 3.64 0.00 0.00 0.14 -4.84 105.19 104.80 1j0q n GLY 51 Ca 0.15 0.15 0.03 0.00 0.00 0.00 0.00 46.02 46.35 1j0q n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j0q s GLY 52 N -4.05 -0.43 -0.74 -0.02 0.00 -1.04 -4.20 107.32 96.84 1j0q s GLY 52 Ca 0.17 0.77 -0.24 0.00 0.00 0.00 0.00 44.72 45.42 1j0q s GLY 52 CO 0.73 1.20 2.41 1.22 0.00 0.00 0.00 173.10 178.66 1j0q n ASP 53 N -0.58 1.47 -1.08 1.64 9.92 -1.26 -1.43 116.55 125.23 1j0q n ASP 53 Ca -0.07 -0.95 0.08 0.00 -0.53 0.00 0.00 54.79 53.32 1j0q n ASP 53 Cb 0.63 -1.45 0.26 0.00 -0.64 0.00 0.00 41.12 39.92 1j0q n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1j0q n ALA 54 N 15.74 2.71 0.33 2.24 0.00 0.01 -4.74 120.51 136.80 1j0q n ALA 54 Ca 0.48 -1.59 -0.16 0.00 0.00 0.00 0.00 53.44 52.16 1j0q n ALA 54 Cb 0.40 -0.73 -0.08 0.00 0.00 0.00 0.00 19.45 19.04 1j0q n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1j0q h THR 55 N 2.84 0.31 -0.02 0.00 2.02 -1.61 0.20 112.91 116.66 1j0q h THR 55 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1j0q h THR 55 Cb 1.17 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1j0q h THR 55 CO 0.14 0.03 0.01 -0.33 0.37 0.00 0.00 175.52 175.73 1j0q h GLU 56 N -0.99 0.02 -0.78 6.66 5.08 -1.89 -2.29 114.58 120.40 1j0q h GLU 56 Ca -0.09 -0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.40 1j0q h GLU 56 Cb 0.68 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.84 1j0q h GLU 56 CO 0.14 0.04 0.38 -0.97 -1.00 0.00 0.00 179.01 177.60 1j0q h ASN 57 N 0.00 0.47 0.29 1.42 -0.73 -1.86 0.16 115.58 115.33 1j0q h ASN 57 Ca 0.01 0.08 -0.01 0.00 1.87 0.00 0.00 56.30 58.25 1j0q h ASN 57 Cb 0.02 0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.61 1j0q h ASN 57 CO -0.00 0.22 -0.19 0.15 -0.37 0.00 0.00 177.43 177.25 1j0q h PHE 58 N 0.59 -0.48 -0.45 0.67 3.57 -0.59 -2.45 116.94 117.80 1j0q h PHE 58 Ca 0.41 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.92 1j0q h PHE 58 Cb 0.53 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 1j0q h PHE 58 CO -0.11 -0.29 0.28 0.93 -2.23 0.00 0.00 178.31 176.89 1j0q h GLU 59 N -0.46 0.56 -0.62 1.11 4.39 -0.78 -3.04 114.58 115.74 1j0q h GLU 59 Ca -0.03 -0.03 0.13 0.00 0.34 0.00 0.00 59.36 59.77 1j0q h GLU 59 Cb 0.39 -0.13 -0.10 0.00 -0.10 0.00 0.00 28.75 28.81 1j0q h GLU 59 CO 0.02 0.37 0.06 0.22 -1.16 0.00 0.00 179.01 178.52 1j0q h ASP 60 N 0.57 -0.15 0.00 1.42 3.58 -0.64 0.18 116.42 121.39 1j0q h ASP 60 Ca 0.17 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.76 1j0q h ASP 60 Cb -0.03 0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.24 1j0q h ASP 60 CO -0.05 -0.07 0.00 1.41 -2.88 0.00 0.00 179.24 177.65 1j0q n HIS 61 N -5.22 0.00 -3.49 0.28 8.25 -0.93 -4.89 115.22 109.22 1j0q n HIS 61 Ca 0.09 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.35 1j0q n HIS 61 Cb 0.36 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.55 1j0q n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j0q n GLY 62 N 0.37 -0.43 3.75 -1.41 0.00 0.63 -4.91 105.19 103.19 1j0q n GLY 62 Ca 0.14 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 1j0q n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1j0q n HIS 63 N -4.59 2.91 -1.18 1.61 8.25 -1.24 -4.96 115.22 116.02 1j0q n HIS 63 Ca -0.10 0.28 -0.29 0.00 -0.26 0.00 0.00 57.72 57.36 1j0q n HIS 63 Cb 0.60 -2.59 0.17 0.00 1.12 0.00 0.00 29.99 29.28 1j0q n HIS 63 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1j0q s SER 64 N 0.39 2.80 0.30 0.41 0.15 -1.26 -4.74 113.70 111.74 1j0q s SER 64 Ca 0.62 1.25 0.04 0.00 0.70 0.00 0.00 55.95 58.56 1j0q s SER 64 Cb -0.49 -1.92 0.78 0.00 -1.71 0.00 0.00 66.02 62.68 1j0q s SER 64 CO 0.51 -3.03 1.66 0.71 1.20 0.00 0.00 173.24 174.29 1j0q h THR 65 N -1.82 0.33 -0.12 6.45 1.35 -1.98 0.70 112.91 117.82 1j0q h THR 65 Ca -0.53 -0.09 -0.01 0.00 -0.55 0.00 0.00 66.41 65.23 1j0q h THR 65 Cb 1.32 0.06 -0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1j0q h THR 65 CO 0.57 0.05 0.04 0.44 -0.25 0.00 0.00 175.52 176.36 1j0q h ASP 66 N 0.25 0.17 -0.49 5.36 5.19 -1.99 0.15 116.42 125.07 1j0q h ASP 66 Ca 0.58 -0.20 -0.08 0.00 -0.62 0.00 0.00 57.03 56.71 1j0q h ASP 66 Cb 1.20 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.64 1j0q h ASP 66 CO -0.63 0.33 0.03 0.00 -3.12 0.00 0.00 179.24 175.85 1j0q h ALA 67 N 0.85 1.03 0.36 3.45 0.00 -1.69 0.21 119.26 123.47 1j0q h ALA 67 Ca 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1j0q h ALA 67 Cb 0.22 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1j0q h ALA 67 CO -0.00 0.61 -0.45 -0.09 0.00 0.00 0.00 179.25 179.31 1j0q h ARG 68 N 0.85 -0.81 -0.49 0.00 9.65 -0.35 0.12 114.38 123.36 1j0q h ARG 68 Ca 0.16 0.05 0.10 0.00 -1.10 0.00 0.00 59.98 59.20 1j0q h ARG 68 Cb 0.46 0.18 -0.10 0.00 -1.39 0.00 0.00 29.97 29.12 1j0q h ARG 68 CO 0.02 -0.54 -0.20 1.49 2.80 0.00 0.00 179.97 183.54 1j0q h GLU 69 N -0.84 -0.08 -0.64 0.20 4.57 -0.44 0.54 114.58 117.89 1j0q h GLU 69 Ca -0.04 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.26 1j0q h GLU 69 Cb 0.75 0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 29.27 1j0q h GLU 69 CO -0.10 -0.06 0.19 -0.07 -1.18 0.00 0.00 179.01 177.79 1j0q h LEU 70 N -0.09 0.11 -1.43 1.64 -0.00 -0.79 -0.59 115.31 114.16 1j0q h LEU 70 Ca 0.23 0.11 0.01 0.00 -0.00 0.00 0.00 57.88 58.23 1j0q h LEU 70 Cb 0.45 0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 41.20 1j0q h LEU 70 CO -0.55 0.05 0.39 0.77 -0.00 0.00 0.00 178.44 179.10 1j0q h SER 71 N 0.33 0.67 0.33 -0.43 4.64 0.15 0.14 113.55 119.38 1j0q h SER 71 Ca 0.34 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1j0q h SER 71 Cb 0.49 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 1j0q h SER 71 CO -0.39 0.48 -0.30 0.11 -0.87 0.00 0.00 176.83 175.87 1j0q h LYS 72 N 0.79 -0.62 0.00 4.77 1.57 -0.18 -1.95 116.57 120.95 1j0q h LYS 72 Ca 0.22 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1j0q h LYS 72 Cb -0.08 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1j0q h LYS 72 CO -0.05 -0.41 0.00 0.00 -0.57 0.00 0.00 179.45 178.42 1j0q h THR 73 N -0.65 0.00 0.00 -0.16 1.03 -0.91 -0.57 112.91 111.66 1j0q h THR 73 Ca -0.02 -0.32 0.00 0.00 -0.01 0.00 0.00 66.41 66.06 1j0q h THR 73 Cb 0.58 1.30 0.00 0.00 -1.07 0.00 0.00 68.15 68.96 1j0q h THR 73 CO -0.04 0.00 -0.00 0.49 -0.01 0.00 0.00 175.52 175.96 1j0q n PHE 74 N -3.04 0.49 -1.70 0.00 3.72 -0.06 -4.88 117.46 111.99 1j0q n PHE 74 Ca -0.01 0.14 -0.44 0.00 -0.05 0.00 0.00 57.45 57.10 1j0q n PHE 74 Cb 0.22 -0.73 -0.03 0.00 -0.94 0.00 0.00 39.48 37.99 1j0q n PHE 74 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1j0q n ILE 75 N -1.90 0.15 0.00 4.37 5.41 -0.22 -1.59 119.36 125.58 1j0q n ILE 75 Ca 0.06 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.77 1j0q n ILE 75 Cb 0.39 -1.79 0.00 0.00 -0.71 0.00 0.00 39.64 37.53 1j0q n ILE 75 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1j0q n ILE 76 N 3.47 0.00 0.00 1.39 -5.35 -0.47 -4.92 119.36 113.48 1j0q n ILE 76 Ca 0.15 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 1j0q n ILE 76 Cb 0.33 0.99 0.00 0.00 -1.74 0.00 0.00 39.64 39.21 1j0q n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1j0q n GLY 77 N 0.56 -0.83 3.07 3.28 0.00 -1.24 -4.98 105.19 105.05 1j0q n GLY 77 Ca 0.00 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 1j0q n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j0q s GLU 78 N -2.00 0.43 -0.09 1.61 2.02 -1.26 -0.54 118.70 118.87 1j0q s GLU 78 Ca 0.00 -0.47 -0.29 0.00 0.02 0.00 0.00 54.97 54.23 1j0q s GLU 78 Cb 0.00 0.17 -0.05 0.00 0.10 0.00 0.00 34.13 34.35 1j0q s GLU 78 CO 0.00 -0.10 1.67 -1.17 0.02 0.00 0.00 175.26 175.68 1j0q s LEU 79 N -1.41 4.21 0.10 1.80 0.20 0.58 -0.35 118.68 123.81 1j0q s LEU 79 Ca -0.15 2.11 -0.31 0.00 0.69 0.00 0.00 54.13 56.47 1j0q s LEU 79 Cb -0.08 -3.53 -0.08 0.00 -0.43 0.00 0.00 46.19 42.06 1j0q s LEU 79 CO 0.01 -1.02 1.54 -2.28 -0.29 0.00 0.00 176.35 174.30 1j0q s HIS 80 N 4.40 2.86 -0.83 5.38 5.65 0.50 -4.86 115.29 128.39 1j0q s HIS 80 Ca 0.74 0.61 0.22 0.00 0.25 0.00 0.00 55.06 56.89 1j0q s HIS 80 Cb -0.32 -3.86 0.89 0.00 -1.18 0.00 0.00 32.58 28.12 1j0q s HIS 80 CO 0.30 -3.24 1.69 -2.30 -0.65 0.00 0.00 174.74 170.54 1j0q n PRO 81 N 4.67 0.09 -0.03 2.88 -0.02 -1.26 -1.16 135.00 140.17 1j0q n PRO 81 Ca 0.14 0.23 0.19 0.00 -2.02 0.00 0.00 63.50 62.03 1j0q n PRO 81 Cb 0.41 -1.64 0.65 0.00 -0.02 0.00 0.00 33.50 32.89 1j0q n PRO 81 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1j0q h ASP 82 N 0.00 0.09 -0.01 2.55 3.58 -2.00 -0.95 116.42 119.68 1j0q h ASP 82 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1j0q h ASP 82 Cb 0.42 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 1j0q h ASP 82 CO 0.00 0.05 -0.06 -0.78 -2.88 0.00 0.00 179.24 175.57 1j0q h ASP 83 N 0.10 -0.18 0.00 2.28 1.82 -1.51 -3.54 116.42 115.39 1j0q h ASP 83 Ca 0.27 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.93 1j0q h ASP 83 Cb 0.94 0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.02 1j0q h ASP 83 CO -0.03 -0.05 0.00 -1.14 -1.61 0.00 0.00 179.24 176.41