#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jz8 s ALA 2 N 0.00 0.42 -0.29 -5.12 0.00 -1.26 -5.11 121.76 110.40 2jz8 s ALA 2 Ca 0.00 -0.18 -0.29 0.00 0.00 0.00 0.00 51.96 51.49 2jz8 s ALA 2 Cb 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.99 2jz8 s ALA 2 CO 0.00 0.09 1.13 0.16 0.00 0.00 0.00 175.76 177.14 2jz8 s ASP 3 N 0.01 6.90 -0.48 0.00 -4.77 -1.26 -4.97 116.67 112.11 2jz8 s ASP 3 Ca 0.00 1.17 -0.28 0.00 -3.30 0.00 0.00 52.55 50.15 2jz8 s ASP 3 Cb -0.03 -2.54 -0.01 0.00 -1.09 0.00 0.00 42.92 39.24 2jz8 s ASP 3 CO -0.00 -0.88 1.76 -0.47 0.70 0.00 0.00 175.17 176.28 2jz8 s TYR 4 N 3.72 1.83 0.53 2.11 5.04 -1.26 -4.97 117.35 124.35 2jz8 s TYR 4 Ca 0.48 0.70 -0.16 0.00 -2.44 0.00 0.00 57.07 55.65 2jz8 s TYR 4 Cb -0.14 -4.14 -0.07 0.00 0.35 0.00 0.00 41.96 37.95 2jz8 s TYR 4 CO 0.16 -2.50 1.00 0.54 -1.34 0.00 0.00 175.55 173.41 2jz8 s ASN 5 N 6.68 6.45 0.26 4.32 2.20 -1.26 -5.02 114.94 128.57 2jz8 s ASN 5 Ca 0.71 1.61 -0.29 0.00 -0.94 0.00 0.00 52.86 53.94 2jz8 s ASN 5 Cb -0.16 -2.51 -0.09 0.00 -2.00 0.00 0.00 41.25 36.48 2jz8 s ASN 5 CO 0.27 -0.70 1.21 0.27 -2.94 0.00 0.00 177.10 175.20 2jz8 s ILE 6 N -2.61 3.27 0.13 0.54 -4.36 -1.26 -4.95 121.20 111.97 2jz8 s ILE 6 Ca 0.60 1.18 -0.32 0.00 -0.26 0.00 0.00 60.65 61.86 2jz8 s ILE 6 Cb -0.11 -3.75 -0.11 0.00 1.25 0.00 0.00 42.46 39.73 2jz8 s ILE 6 CO 0.33 0.25 1.81 -2.65 0.24 0.00 0.00 174.94 174.92 2jz8 n PRO 7 N 1.62 2.76 -3.23 0.37 -0.02 -1.26 -4.98 135.00 130.26 2jz8 n PRO 7 Ca 0.02 1.00 -0.39 0.00 -2.02 0.00 0.00 63.50 62.11 2jz8 n PRO 7 Cb 0.44 -2.88 -0.06 0.00 -0.02 0.00 0.00 33.50 30.97 2jz8 n PRO 7 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2jz8 s HIS 8 N 2.43 3.46 0.46 6.00 -3.43 -1.26 -4.78 115.29 118.16 2jz8 s HIS 8 Ca 0.81 0.91 0.07 0.00 -0.80 0.00 0.00 55.06 56.05 2jz8 s HIS 8 Cb -0.50 -2.66 0.00 0.00 -1.43 0.00 0.00 32.58 28.00 2jz8 s HIS 8 CO 0.37 0.03 0.42 -0.06 -2.00 0.00 0.00 174.74 173.50 2jz8 s PHE 9 N 1.14 2.36 -0.22 0.38 0.08 -1.26 -1.12 117.98 119.34 2jz8 s PHE 9 Ca 0.27 -0.59 -0.27 0.00 0.12 0.00 0.00 56.93 56.47 2jz8 s PHE 9 Cb -0.16 -2.12 0.08 0.00 -0.57 0.00 0.00 43.02 40.26 2jz8 s PHE 9 CO 0.11 -0.29 0.80 1.14 -0.10 0.00 0.00 175.22 176.87 2jz8 s GLN 10 N -4.21 0.80 -0.16 0.44 -2.07 0.17 -4.50 119.66 110.12 2jz8 s GLN 10 Ca 0.46 0.71 -0.02 0.00 -1.82 0.00 0.00 55.36 54.70 2jz8 s GLN 10 Cb -0.03 0.38 0.05 0.00 -1.09 0.00 0.00 33.01 32.32 2jz8 s GLN 10 CO 0.27 -0.14 -0.01 1.21 -1.32 0.00 0.00 175.29 175.30 2jz8 s ASN 11 N -0.07 2.69 0.45 12.60 3.84 -1.26 -4.13 114.94 129.07 2jz8 s ASN 11 Ca -0.02 -0.65 0.26 0.00 0.21 0.00 0.00 52.86 52.66 2jz8 s ASN 11 Cb -0.04 -0.71 0.86 0.00 -0.55 0.00 0.00 41.25 40.81 2jz8 s ASN 11 CO 0.01 -0.24 1.80 0.44 -2.79 0.00 0.00 177.10 176.32 2jz8 h ASP 12 N 8.20 0.00 0.99 -4.21 3.32 -1.90 -3.14 116.42 119.68 2jz8 h ASP 12 Ca -0.20 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.72 2jz8 h ASP 12 Cb 1.12 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 2jz8 h ASP 12 CO 0.35 0.16 -1.07 -0.07 -1.72 0.00 0.00 179.24 176.88 2jz8 h LEU 13 N 0.00 0.00 0.00 1.55 3.38 -1.94 -3.48 115.31 114.81 2jz8 h LEU 13 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jz8 h LEU 13 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2jz8 h LEU 13 CO 0.02 0.52 0.00 0.61 0.09 0.00 0.00 178.44 179.68 2jz8 n GLY 14 N 1.32 1.97 3.10 0.83 0.00 -1.19 -5.00 105.19 106.22 2jz8 n GLY 14 Ca -0.05 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 45.88 2jz8 n GLY 14 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jz8 n TYR 15 N 0.00 -2.43 -0.48 1.61 4.01 -1.26 -4.71 117.16 113.90 2jz8 n TYR 15 Ca 0.00 0.65 0.00 0.00 -0.16 0.00 0.00 57.90 58.39 2jz8 n TYR 15 Cb 0.00 -1.14 0.00 0.00 -0.31 0.00 0.00 39.34 37.89 2jz8 n TYR 15 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2jz8 n LYS 16 N -2.21 1.67 -3.45 -0.72 5.02 -1.26 -4.88 118.16 112.32 2jz8 n LYS 16 Ca 0.00 -1.12 -0.15 0.00 -2.02 0.00 0.00 58.31 55.03 2jz8 n LYS 16 Cb 0.24 -0.80 -0.11 0.00 -0.02 0.00 0.00 35.03 34.34 2jz8 n LYS 16 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jz8 s ILE 17 N -0.63 -0.44 -0.16 -0.18 1.01 -1.26 -1.54 121.20 118.01 2jz8 s ILE 17 Ca 0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 60.65 60.54 2jz8 s ILE 17 Cb 0.01 -0.71 -0.03 0.00 0.01 0.00 0.00 42.46 41.73 2jz8 s ILE 17 CO 0.00 -0.15 -0.01 -0.63 0.00 0.00 0.00 174.94 174.14 2jz8 s ILE 18 N 2.42 4.07 -0.00 2.92 1.01 0.21 -4.81 121.20 127.02 2jz8 s ILE 18 Ca 0.09 -0.29 -0.18 0.00 0.00 0.00 0.00 60.65 60.27 2jz8 s ILE 18 Cb -0.15 -2.80 -0.06 0.00 0.01 0.00 0.00 42.46 39.46 2jz8 s ILE 18 CO -0.13 0.48 0.50 -1.61 0.00 0.00 0.00 174.94 174.18 2jz8 s GLU 19 N 0.42 4.16 0.03 2.79 8.01 -1.26 -0.53 118.70 132.32 2jz8 s GLU 19 Ca -0.02 0.58 0.01 0.00 0.01 0.00 0.00 54.97 55.55 2jz8 s GLU 19 Cb -0.14 -3.29 -0.02 0.00 -4.31 0.00 0.00 34.13 26.37 2jz8 s GLU 19 CO 0.02 0.51 -0.06 0.96 0.01 0.00 0.00 175.26 176.70 2jz8 s ILE 20 N -0.58 0.37 -0.41 -1.63 -4.36 0.69 -3.66 121.20 111.63 2jz8 s ILE 20 Ca 0.27 -0.90 0.08 0.00 -0.26 0.00 0.00 60.65 59.84 2jz8 s ILE 20 Cb -0.17 -0.45 0.56 0.00 1.25 0.00 0.00 42.46 43.65 2jz8 s ILE 20 CO 0.15 -0.36 1.49 0.61 0.24 0.00 0.00 174.94 177.07 2jz8 n GLY 21 N 1.71 2.98 3.02 6.27 0.00 -1.25 -3.77 105.19 114.14 2jz8 n GLY 21 Ca -0.22 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 2jz8 n GLY 21 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jz8 s VAL 22 N -2.32 0.47 -2.24 1.61 -7.23 -1.26 -4.65 120.40 104.79 2jz8 s VAL 22 Ca 0.40 -0.78 0.20 0.00 -1.81 0.00 0.00 61.98 59.99 2jz8 s VAL 22 Cb 0.32 -0.50 0.47 0.00 0.56 0.00 0.00 36.38 37.22 2jz8 s VAL 22 CO 0.10 -0.22 1.44 0.29 -0.31 0.00 0.00 175.10 176.41 2jz8 n LYS 23 N 1.97 2.27 -3.85 4.82 5.02 -1.26 -4.79 118.16 122.35 2jz8 n LYS 23 Ca -0.19 -1.95 -0.26 0.00 -2.02 0.00 0.00 58.31 53.89 2jz8 n LYS 23 Cb 0.56 -1.46 -0.17 0.00 -0.02 0.00 0.00 35.03 33.94 2jz8 n LYS 23 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2jz8 s GLU 24 N -1.45 1.15 0.05 1.97 2.02 -1.26 0.35 118.70 121.52 2jz8 s GLU 24 Ca 0.37 -0.20 -0.02 0.00 0.02 0.00 0.00 54.97 55.14 2jz8 s GLU 24 Cb 0.21 -1.51 -0.03 0.00 0.10 0.00 0.00 34.13 32.90 2jz8 s GLU 24 CO 0.28 -0.34 0.00 0.12 0.02 0.00 0.00 175.26 175.35 2jz8 s PHE 25 N 1.79 0.40 0.00 1.61 2.19 0.10 -4.99 117.98 119.09 2jz8 s PHE 25 Ca 0.04 -0.86 -0.11 0.00 0.33 0.00 0.00 56.93 56.33 2jz8 s PHE 25 Cb -0.13 -0.30 0.01 0.00 -1.31 0.00 0.00 43.02 41.29 2jz8 s PHE 25 CO -0.07 -0.36 0.22 1.41 1.83 0.00 0.00 175.22 178.25 2jz8 s MET 26 N -3.32 0.60 0.12 10.12 -2.45 -1.26 0.15 119.30 123.25 2jz8 s MET 26 Ca 0.01 -0.36 -0.20 0.00 -1.25 0.00 0.00 55.69 53.89 2jz8 s MET 26 Cb 0.03 0.26 -0.05 0.00 1.25 0.00 0.00 34.83 36.32 2jz8 s MET 26 CO -0.08 -0.16 1.72 0.00 1.05 0.00 0.00 175.02 177.56 2jz8 n VAL 28 N -5.13 0.00 -3.97 0.00 0.31 -1.26 -4.69 118.33 103.59 2jz8 n VAL 28 Ca -0.03 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.17 2jz8 n VAL 28 Cb 0.09 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.02 2jz8 n VAL 28 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jz8 n GLY 29 N 0.00 1.63 0.00 2.92 0.00 -1.26 -3.91 105.19 104.57 2jz8 n GLY 29 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2jz8 n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jz8 n ALA 30 N -0.58 0.00 -0.21 4.61 0.00 -1.25 -4.95 120.51 118.14 2jz8 n ALA 30 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2jz8 n ALA 30 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2jz8 n ALA 30 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jz8 n THR 31 N -0.48 0.00 0.13 0.00 -2.24 -1.21 -3.91 114.28 106.58 2jz8 n THR 31 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 2jz8 n THR 31 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 2jz8 n THR 31 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2jz8 h GLN 32 N 0.00 -0.36 -2.06 -0.78 7.50 -1.98 -2.71 115.11 114.71 2jz8 h GLN 32 Ca 0.00 0.02 -0.03 0.00 0.50 0.00 0.00 58.65 59.14 2jz8 h GLN 32 Cb 0.00 0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.60 2jz8 h GLN 32 CO 0.00 -0.02 -0.03 -2.30 -1.50 0.00 0.00 178.83 174.98 2jz8 n PRO 33 N -5.08 0.88 -1.19 1.46 -0.02 -1.25 -4.80 135.00 124.99 2jz8 n PRO 33 Ca -0.09 -0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.23 2jz8 n PRO 33 Cb 0.26 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 2jz8 n PRO 33 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2jz8 n PHE 34 N 1.86 -1.88 -1.14 6.00 3.72 -1.04 -4.79 117.46 120.20 2jz8 n PHE 34 Ca 0.07 1.13 0.00 0.00 -0.05 0.00 0.00 57.45 58.60 2jz8 n PHE 34 Cb 0.43 -2.66 0.00 0.00 -0.94 0.00 0.00 39.48 36.31 2jz8 n PHE 34 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2jz8 n ASP 35 N 0.72 0.00 -0.78 4.37 5.75 -1.12 -3.32 116.55 122.16 2jz8 n ASP 35 Ca 0.00 -0.89 0.10 0.00 -0.01 0.00 0.00 54.79 53.99 2jz8 n ASP 35 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 2jz8 n ASP 35 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2jz8 n HIS 36 N -1.67 -1.99 -1.57 2.11 8.25 -1.26 -4.42 115.22 114.66 2jz8 n HIS 36 Ca 0.00 1.02 -0.24 0.00 -0.26 0.00 0.00 57.72 58.23 2jz8 n HIS 36 Cb 0.00 -1.81 -0.05 0.00 1.12 0.00 0.00 29.99 29.25 2jz8 n HIS 36 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2jz8 s PRO 37 N -2.14 1.84 0.00 -0.41 0.04 -1.25 -4.21 135.00 128.87 2jz8 s PRO 37 Ca 0.00 0.90 0.00 0.00 0.04 0.00 0.00 61.00 61.94 2jz8 s PRO 37 Cb 0.00 -4.69 0.00 0.00 0.04 0.00 0.00 34.50 29.85 2jz8 s PRO 37 CO 0.00 -3.90 0.23 1.58 0.04 0.00 0.00 177.00 174.95 2jz8 n HIS 38 N 17.35 0.00 -3.79 0.56 -0.00 -1.26 -4.98 115.22 123.09 2jz8 n HIS 38 Ca 0.42 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.47 2jz8 n HIS 38 Cb 0.49 -0.01 -0.13 0.00 -0.12 0.00 0.00 29.99 30.21 2jz8 n HIS 38 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 2jz8 s ILE 39 N -0.49 -0.01 -0.00 3.57 -1.09 -1.26 -5.04 121.20 116.87 2jz8 s ILE 39 Ca 0.00 0.05 -0.28 0.00 -2.23 0.00 0.00 60.65 58.19 2jz8 s ILE 39 Cb 0.00 -0.26 -0.04 0.00 -1.58 0.00 0.00 42.46 40.59 2jz8 s ILE 39 CO 0.00 0.02 0.91 -0.36 -1.23 0.00 0.00 174.94 174.28 2jz8 s PHE 40 N 0.42 3.66 -0.56 3.97 0.40 -1.26 -2.73 117.98 121.88 2jz8 s PHE 40 Ca -0.03 1.60 0.04 0.00 -0.60 0.00 0.00 56.93 57.94 2jz8 s PHE 40 Cb -0.04 -3.03 0.15 0.00 0.51 0.00 0.00 43.02 40.61 2jz8 s PHE 40 CO -0.02 0.05 0.35 0.42 0.70 0.00 0.00 175.22 176.72 2jz8 s ILE 41 N 0.81 2.20 -0.12 0.64 1.01 0.12 -5.00 121.20 120.87 2jz8 s ILE 41 Ca 0.48 -3.43 -0.03 0.00 0.00 0.00 0.00 60.65 57.66 2jz8 s ILE 41 Cb -0.20 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.74 2jz8 s ILE 41 CO 0.26 -0.94 0.00 1.51 0.00 0.00 0.00 174.94 175.77 2jz8 s ASP 42 N -0.54 5.18 -0.13 3.58 -4.77 -1.26 0.01 116.67 118.73 2jz8 s ASP 42 Ca 0.22 0.06 -0.11 0.00 -3.30 0.00 0.00 52.55 49.42 2jz8 s ASP 42 Cb -0.15 -1.64 -0.08 0.00 -1.09 0.00 0.00 42.92 39.96 2jz8 s ASP 42 CO -0.08 0.29 0.14 0.24 0.70 0.00 0.00 175.17 176.46 2jz8 h MET 43 N 5.83 0.00 0.00 2.11 2.86 -0.41 -3.48 114.93 121.85 2jz8 h MET 43 Ca -0.43 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 2jz8 h MET 43 Cb 1.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.85 2jz8 h MET 43 CO 0.59 0.33 0.00 0.41 1.06 0.00 0.00 176.91 179.30 2jz8 n GLY 44 N 1.66 0.80 0.18 8.32 0.00 -1.26 -2.83 105.19 112.06 2jz8 n GLY 44 Ca -0.08 0.48 -0.09 0.00 0.00 0.00 0.00 46.02 46.33 2jz8 n GLY 44 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jz8 h SER 45 N 0.00 0.47 -2.33 1.61 0.02 -1.97 -3.46 113.55 107.89 2jz8 h SER 45 Ca 0.00 -0.29 -0.45 0.00 -0.84 0.00 0.00 61.79 60.21 2jz8 h SER 45 Cb 0.00 -0.14 0.02 0.00 0.14 0.00 0.00 62.40 62.42 2jz8 h SER 45 CO 0.00 1.01 -0.19 0.42 -1.14 0.00 0.00 176.83 176.93 2jz8 s THR 46 N -3.70 3.93 -0.22 -2.27 -4.23 -1.13 -5.00 115.64 103.02 2jz8 s THR 46 Ca -0.06 -0.72 0.14 0.00 -1.18 0.00 0.00 61.69 59.88 2jz8 s THR 46 Cb 0.11 -3.41 0.50 0.00 1.34 0.00 0.00 72.50 71.03 2jz8 s THR 46 CO 0.83 -0.24 1.41 -0.90 -0.54 0.00 0.00 174.62 175.19 2jz8 n ASP 47 N -1.92 3.18 -3.51 3.99 5.75 -1.26 -4.76 116.55 118.02 2jz8 n ASP 47 Ca 0.01 -3.33 -0.12 0.00 -0.01 0.00 0.00 54.79 51.34 2jz8 n ASP 47 Cb 0.58 -0.57 -0.04 0.00 -1.03 0.00 0.00 41.12 40.06 2jz8 n ASP 47 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 2jz8 s GLU 48 N -3.00 0.94 -0.17 0.11 -1.05 -1.26 -1.34 118.70 112.93 2jz8 s GLU 48 Ca 0.42 -0.08 -0.29 0.00 -0.15 0.00 0.00 54.97 54.87 2jz8 s GLU 48 Cb 0.36 0.44 0.10 0.00 -0.44 0.00 0.00 34.13 34.59 2jz8 s GLU 48 CO 0.05 -0.36 0.89 0.21 0.95 0.00 0.00 175.26 177.00 2jz8 s LYS 49 N -2.28 0.73 -0.04 -4.83 2.20 -0.17 -4.93 119.74 110.43 2jz8 s LYS 49 Ca -0.02 0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.97 2jz8 s LYS 49 Cb -0.01 0.35 -0.03 0.00 -1.51 0.00 0.00 37.83 36.63 2jz8 s LYS 49 CO -0.02 -0.19 -0.02 -1.50 -0.36 0.00 0.00 175.35 173.26 2jz8 s ILE 50 N -0.67 4.08 -0.28 5.43 2.07 -1.26 0.11 121.20 130.69 2jz8 s ILE 50 Ca -0.03 -0.48 -0.16 0.00 -1.41 0.00 0.00 60.65 58.56 2jz8 s ILE 50 Cb -0.02 -2.75 -0.03 0.00 0.13 0.00 0.00 42.46 39.79 2jz8 s ILE 50 CO 0.02 0.49 0.45 0.00 -1.91 0.00 0.00 174.94 173.99 2jz8 n PRO 52 N 5.46 1.59 -1.13 0.00 -0.04 -1.26 -0.17 135.00 139.45 2jz8 n PRO 52 Ca -0.06 0.57 -0.04 0.00 -0.04 0.00 0.00 63.50 63.93 2jz8 n PRO 52 Cb 0.50 -2.31 -0.02 0.00 -0.04 0.00 0.00 33.50 31.63 2jz8 n PRO 52 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2jz8 n TYR 53 N -0.69 0.00 0.06 0.54 4.01 -1.26 -4.64 117.16 115.17 2jz8 n TYR 53 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 2jz8 n TYR 53 Cb 0.42 -1.78 0.00 0.00 -0.31 0.00 0.00 39.34 37.67 2jz8 n TYR 53 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jz8 n SER 55 N -3.08 -7.64 -2.86 0.00 7.64 0.76 -5.00 113.62 103.44 2jz8 n SER 55 Ca 0.00 0.98 -0.12 0.00 1.01 0.00 0.00 58.87 60.75 2jz8 n SER 55 Cb 0.07 -4.52 0.05 0.00 -1.01 0.00 0.00 64.21 58.80 2jz8 n SER 55 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2jz8 n THR 56 N 0.53 0.05 -0.69 0.44 -1.04 -1.20 -4.64 114.28 107.73 2jz8 n THR 56 Ca 0.02 -2.63 -0.31 0.00 -2.04 0.00 0.00 64.05 59.09 2jz8 n THR 56 Cb 0.22 0.79 -0.06 0.00 -1.82 0.00 0.00 70.33 69.46 2jz8 n THR 56 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2jz8 n LEU 57 N 0.15 0.43 -4.54 -4.42 7.94 -0.59 -1.58 117.00 114.40 2jz8 n LEU 57 Ca 0.11 0.40 -0.43 0.00 -1.11 0.00 0.00 56.01 54.98 2jz8 n LEU 57 Cb 0.72 -0.46 -0.04 0.00 0.53 0.00 0.00 43.42 44.18 2jz8 n LEU 57 CO 0.10 -0.40 0.76 -0.31 -1.11 0.00 0.00 177.39 176.43 2jz8 s TYR 58 N 2.72 2.83 -0.26 1.96 2.02 0.12 -0.62 117.35 126.12 2jz8 s TYR 58 Ca 0.59 0.14 -0.10 0.00 -0.37 0.00 0.00 57.07 57.33 2jz8 s TYR 58 Cb -0.76 -4.04 -0.05 0.00 -0.40 0.00 0.00 41.96 36.71 2jz8 s TYR 58 CO 0.35 -1.27 0.15 0.50 -1.57 0.00 0.00 175.55 173.72 2jz8 s ARG 59 N 3.90 3.92 -0.69 -0.62 6.06 0.31 -1.00 118.95 130.83 2jz8 s ARG 59 Ca 0.33 -0.34 -0.19 0.00 -2.50 0.00 0.00 55.73 53.02 2jz8 s ARG 59 Cb -0.11 -3.54 0.11 0.00 0.06 0.00 0.00 34.95 31.46 2jz8 s ARG 59 CO 0.22 -0.10 0.85 -0.47 -2.50 0.00 0.00 175.30 173.30 2jz8 s TYR 60 N 1.50 3.01 -0.08 5.12 5.04 -0.45 -0.22 117.35 131.26 2jz8 s TYR 60 Ca 0.07 -1.03 -0.19 0.00 -2.44 0.00 0.00 57.07 53.48 2jz8 s TYR 60 Cb -0.15 -4.12 -0.04 0.00 0.35 0.00 0.00 41.96 38.00 2jz8 s TYR 60 CO 0.08 -1.39 0.51 -0.51 -1.34 0.00 0.00 175.55 172.90 2jz8 s ASP 61 N 3.53 6.77 0.15 4.32 1.01 -1.25 -4.81 116.67 126.40 2jz8 s ASP 61 Ca 0.18 0.92 0.15 0.00 0.71 0.00 0.00 52.55 54.52 2jz8 s ASP 61 Cb -0.18 -2.31 0.72 0.00 1.01 0.00 0.00 42.92 42.16 2jz8 s ASP 61 CO 0.03 0.03 1.48 -2.65 0.21 0.00 0.00 175.17 174.27 2jz8 n PRO 62 N 3.37 0.09 0.00 8.23 -0.02 -1.26 -0.96 135.00 144.45 2jz8 n PRO 62 Ca -0.07 0.45 0.13 0.00 -2.02 0.00 0.00 63.50 61.99 2jz8 n PRO 62 Cb 0.52 -1.72 0.44 0.00 -0.02 0.00 0.00 33.50 32.72 2jz8 n PRO 62 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2jz8 n SER 63 N -1.89 0.25 -4.93 2.55 7.64 -1.26 -4.88 113.62 111.09 2jz8 n SER 63 Ca 0.01 0.13 -0.23 0.00 1.01 0.00 0.00 58.87 59.79 2jz8 n SER 63 Cb 0.11 -0.14 0.06 0.00 -1.01 0.00 0.00 64.21 63.23 2jz8 n SER 63 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jz8 s LEU 64 N -3.00 3.05 0.00 -3.43 1.43 -0.13 -5.01 118.68 111.59 2jz8 s LEU 64 Ca 0.13 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 2jz8 s LEU 64 Cb 0.18 -2.93 0.00 0.00 0.03 0.00 0.00 46.19 43.47 2jz8 s LEU 64 CO 0.61 -1.40 0.00 -1.20 0.23 0.00 0.00 176.35 174.59 2jz8 n SER 65 N -2.64 0.00 -0.16 2.29 7.64 0.15 -4.86 113.62 116.03 2jz8 n SER 65 Ca 0.08 -0.08 -0.11 0.00 1.01 0.00 0.00 58.87 59.78 2jz8 n SER 65 Cb 0.60 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.80 2jz8 n SER 65 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 2jz8 h TYR 66 N 0.08 1.01 0.03 1.43 3.20 -1.99 -3.34 116.97 117.38 2jz8 h TYR 66 Ca 0.00 -0.21 -0.32 0.00 3.14 0.00 0.00 58.73 61.34 2jz8 h TYR 66 Cb 0.00 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 37.98 2jz8 h TYR 66 CO 0.00 0.98 -1.76 0.09 -1.64 0.00 0.00 178.16 175.83 2jz8 n ASN 67 N -4.25 1.95 -4.62 -2.11 3.02 -1.26 -4.80 115.26 103.18 2jz8 n ASN 67 Ca 0.00 0.32 -0.42 0.00 -0.03 0.00 0.00 54.58 54.45 2jz8 n ASN 67 Cb 0.38 -0.88 -0.04 0.00 -0.61 0.00 0.00 39.78 38.63 2jz8 n ASN 67 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2jz8 s GLN 68 N -2.45 3.97 0.41 3.52 -0.21 -1.26 -4.71 119.66 118.94 2jz8 s GLN 68 Ca -0.30 0.72 0.00 0.00 0.02 0.00 0.00 55.36 55.80 2jz8 s GLN 68 Cb 0.08 -3.74 0.00 0.00 1.00 0.00 0.00 33.01 30.35 2jz8 s GLN 68 CO 0.61 -0.77 0.00 -2.37 -2.12 0.00 0.00 175.29 170.64 2jz8 n THR 69 N 5.67 0.00 -3.86 -0.19 5.66 -1.26 0.30 114.28 120.60 2jz8 n THR 69 Ca 0.06 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.97 2jz8 n THR 69 Cb 0.48 -0.22 -0.05 0.00 -1.55 0.00 0.00 70.33 68.99 2jz8 n THR 69 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2jz8 s ASN 70 N -3.32 -0.13 0.28 1.09 2.20 -1.24 -4.27 114.94 109.55 2jz8 s ASN 70 Ca 0.00 -0.69 -0.30 0.00 -0.94 0.00 0.00 52.86 50.93 2jz8 s ASN 70 Cb 0.00 0.54 -0.11 0.00 -2.00 0.00 0.00 41.25 39.67 2jz8 s ASN 70 CO 0.00 -1.03 1.62 -2.16 -2.94 0.00 0.00 177.10 172.60 2jz8 s PRO 71 N -3.93 4.12 0.00 3.55 0.04 -1.26 -4.71 135.00 132.81 2jz8 s PRO 71 Ca 0.14 2.59 0.00 0.00 0.04 0.00 0.00 61.00 63.77 2jz8 s PRO 71 Cb 0.00 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.51 2jz8 s PRO 71 CO 0.00 -0.66 0.00 2.41 0.04 0.00 0.00 177.00 178.79 2jz8 n THR 72 N 2.47 -0.75 -1.53 1.26 -1.04 -1.26 -4.83 114.28 108.60 2jz8 n THR 72 Ca 0.09 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.64 2jz8 n THR 72 Cb 0.37 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.83 2jz8 n THR 72 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jz8 n GLY 73 N -1.04 0.77 0.01 3.41 0.00 -1.26 -4.82 105.19 102.26 2jz8 n GLY 73 Ca 0.00 0.85 0.12 0.00 0.00 0.00 0.00 46.02 46.99 2jz8 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jz8 s LEU 75 N -3.09 4.37 -0.88 0.00 2.01 -1.26 0.43 118.68 120.26 2jz8 s LEU 75 Ca 0.12 1.75 -0.25 0.00 0.01 0.00 0.00 54.13 55.76 2jz8 s LEU 75 Cb 0.16 -3.57 0.05 0.00 0.01 0.00 0.00 46.19 42.83 2jz8 s LEU 75 CO 0.45 -0.30 1.34 -0.47 1.01 0.00 0.00 176.35 178.38 2jz8 s TYR 76 N 0.99 2.45 0.23 0.29 5.04 -0.28 -4.71 117.35 121.37 2jz8 s TYR 76 Ca 0.53 -0.51 0.11 0.00 -2.44 0.00 0.00 57.07 54.77 2jz8 s TYR 76 Cb -0.23 -4.64 -0.05 0.00 0.35 0.00 0.00 41.96 37.40 2jz8 s TYR 76 CO 0.28 -1.97 -0.21 0.54 -1.34 0.00 0.00 175.55 172.86 2jz8 s ASN 77 N 4.34 3.59 -0.56 4.32 2.20 -1.26 -4.92 114.94 122.63 2jz8 s ASN 77 Ca 0.40 -0.91 -0.26 0.00 -0.94 0.00 0.00 52.86 51.14 2jz8 s ASN 77 Cb -0.04 -0.32 -0.09 0.00 -2.00 0.00 0.00 41.25 38.79 2jz8 s ASN 77 CO 0.02 0.08 2.44 -2.65 -2.94 0.00 0.00 177.10 174.05 2jz8 n PRO 78 N -0.15 0.90 -2.81 3.55 -0.02 -1.26 -4.89 135.00 130.32 2jz8 n PRO 78 Ca -0.09 -0.07 -0.43 0.00 -2.02 0.00 0.00 63.50 60.89 2jz8 n PRO 78 Cb 0.58 -3.27 -0.03 0.00 -0.02 0.00 0.00 33.50 30.76 2jz8 n PRO 78 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2jz8 s LYS 79 N 8.40 3.54 0.11 -0.52 1.02 -1.26 -4.83 119.74 126.21 2jz8 s LYS 79 Ca 1.02 -1.45 0.08 0.00 0.02 0.00 0.00 55.97 55.63 2jz8 s LYS 79 Cb -0.28 -4.96 -0.20 0.00 -0.52 0.00 0.00 37.83 31.88 2jz8 s LYS 79 CO 0.27 -1.91 1.22 1.25 -0.92 0.00 0.00 175.35 175.27 2jz8 h LEU 80 N 11.24 0.00 -2.34 3.17 5.85 -2.08 -3.49 115.31 127.67 2jz8 h LEU 80 Ca 0.12 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2jz8 h LEU 80 Cb 1.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.06 2jz8 h LEU 80 CO 1.21 0.97 -0.25 -0.62 -0.34 0.00 0.00 178.44 179.41 2jz8 n GLU 81 N -3.31 -1.84 0.00 1.25 -0.58 -1.26 -5.02 120.64 109.88 2jz8 n GLU 81 Ca -0.02 1.80 0.00 0.00 -0.42 0.00 0.00 57.16 58.52 2jz8 n GLU 81 Cb 0.94 -5.71 0.00 0.00 -0.57 0.00 0.00 31.44 26.10 2jz8 n GLU 81 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2jz8 n HIS 82 N -1.06 0.00 0.00 -0.32 -0.00 -1.26 -4.89 115.22 107.69 2jz8 n HIS 82 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 2jz8 n HIS 82 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.47 2jz8 n HIS 82 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jz8 n HIS 83 N -0.48 0.00 -2.75 1.57 8.25 -1.26 -4.91 115.22 115.63 2jz8 n HIS 83 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2jz8 n HIS 83 Cb 0.00 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.11 2jz8 n HIS 83 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jz8 n HIS 84 N 14.00 -3.74 -2.07 4.41 -0.00 -1.26 -4.99 115.22 121.56 2jz8 n HIS 84 Ca 0.00 1.68 -0.31 0.00 0.46 0.00 0.00 57.72 59.55 2jz8 n HIS 84 Cb 0.00 -3.80 0.00 0.00 -0.12 0.00 0.00 29.99 26.07 2jz8 n HIS 84 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2jz8 s HIS 85 N -1.55 3.59 -0.22 1.57 -3.43 -1.26 -5.02 115.29 108.97 2jz8 s HIS 85 Ca -0.01 1.25 -0.13 0.00 -0.80 0.00 0.00 55.06 55.37 2jz8 s HIS 85 Cb 0.00 -2.67 -0.09 0.00 -1.43 0.00 0.00 32.58 28.39 2jz8 s HIS 85 CO 0.73 -0.57 -0.31 0.72 -2.00 0.00 0.00 174.74 173.30 2jz8 n HIS 86 N -2.47 0.00 -1.27 0.38 8.25 -1.26 -5.32 115.22 113.53 2jz8 n HIS 86 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2jz8 n HIS 86 Cb 0.54 -0.77 0.00 0.00 1.12 0.00 0.00 29.99 30.88 2jz8 n HIS 86 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56