#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxf s ASN 2 N 0.00 2.91 0.42 0.00 0.02 -1.26 -4.98 114.94 112.05 1jxf s ASN 2 Ca 0.00 -1.50 -0.22 0.00 -1.02 0.00 0.00 52.86 50.11 1jxf s ASN 2 Cb 0.00 0.14 -0.10 0.00 0.02 0.00 0.00 41.25 41.31 1jxf s ASN 2 CO 0.00 -0.72 0.99 0.00 0.02 0.00 0.00 177.10 177.40 1jxf s ALA 3 N -3.15 3.03 0.06 0.60 0.00 -0.93 -4.95 121.76 116.44 1jxf s ALA 3 Ca 0.28 0.54 0.05 0.00 0.00 0.00 0.00 51.96 52.83 1jxf s ALA 3 Cb 0.06 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 1jxf s ALA 3 CO 0.14 -0.05 -0.13 0.99 0.00 0.00 0.00 175.76 176.70 1jxf s THR 4 N -1.92 1.04 -0.18 0.00 2.01 -1.26 -1.01 115.64 114.32 1jxf s THR 4 Ca 0.61 -1.25 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 1jxf s THR 4 Cb -0.15 -1.01 0.08 0.00 0.01 0.00 0.00 72.50 71.43 1jxf s THR 4 CO 0.20 -0.22 0.19 -0.69 -0.69 0.00 0.00 174.62 173.41 1jxf s VAL 5 N -1.24 -0.28 0.05 3.82 1.01 0.92 -4.54 120.40 120.14 1jxf s VAL 5 Ca -0.03 -0.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.69 1jxf s VAL 5 Cb -0.10 -0.61 -0.06 0.00 0.00 0.00 0.00 36.38 35.62 1jxf s VAL 5 CO 0.02 -0.16 0.64 -0.54 0.00 0.00 0.00 175.10 175.05 1jxf s LYS 6 N 2.29 4.34 -0.22 2.72 1.02 -0.72 0.17 119.74 129.35 1jxf s LYS 6 Ca 0.05 0.84 -0.04 0.00 0.02 0.00 0.00 55.97 56.85 1jxf s LYS 6 Cb -0.15 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 33.85 1jxf s LYS 6 CO -0.11 0.48 -0.03 1.41 -0.92 0.00 0.00 175.35 176.18 1jxf s MET 7 N -0.63 3.43 0.00 1.68 -2.45 0.50 -2.45 119.30 119.37 1jxf s MET 7 Ca 0.32 -0.61 0.00 0.00 -1.25 0.00 0.00 55.69 54.15 1jxf s MET 7 Cb -0.20 -3.02 0.00 0.00 1.25 0.00 0.00 34.83 32.86 1jxf s MET 7 CO 0.20 -0.15 0.00 0.41 1.05 0.00 0.00 175.02 176.53 1jxf n GLY 8 N 4.67 -2.18 2.94 2.11 0.00 -0.69 -3.23 105.19 108.82 1jxf n GLY 8 Ca -0.18 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 1jxf n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jxf n SER 9 N 0.00 -3.56 -3.07 1.61 3.41 -0.56 -3.87 113.62 107.58 1jxf n SER 9 Ca 0.00 0.56 -0.26 0.00 -0.26 0.00 0.00 58.87 58.91 1jxf n SER 9 Cb 0.00 -0.77 -0.04 0.00 -0.26 0.00 0.00 64.21 63.15 1jxf n SER 9 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jxf n ASP 10 N 2.37 6.11 0.09 4.04 2.03 -1.26 -3.48 116.55 126.46 1jxf n ASP 10 Ca 0.06 -2.39 0.00 0.00 0.52 0.00 0.00 54.79 52.98 1jxf n ASP 10 Cb 0.44 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 39.59 1jxf n ASP 10 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1jxf n SER 11 N 3.76 -0.89 0.00 1.67 2.88 -1.26 -5.07 113.62 114.70 1jxf n SER 11 Ca 0.55 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 1jxf n SER 11 Cb 0.24 1.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.70 1jxf n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jxf n GLY 12 N 0.38 0.00 2.92 0.46 0.00 -1.23 -5.06 105.19 102.66 1jxf n GLY 12 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1jxf n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jxf s ALA 13 N 0.00 -0.35 -0.66 4.61 0.00 -1.26 -5.03 121.76 119.06 1jxf s ALA 13 Ca 0.00 0.74 -0.27 0.00 0.00 0.00 0.00 51.96 52.43 1jxf s ALA 13 Cb 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 23.12 22.22 1jxf s ALA 13 CO 0.00 -0.60 1.52 -0.48 0.00 0.00 0.00 175.76 176.20 1jxf s LEU 14 N 2.35 3.25 -0.07 0.00 2.34 -1.26 -1.50 118.68 123.78 1jxf s LEU 14 Ca 0.02 -0.03 -0.05 0.00 0.06 0.00 0.00 54.13 54.13 1jxf s LEU 14 Cb -0.12 -2.64 0.03 0.00 -0.56 0.00 0.00 46.19 42.90 1jxf s LEU 14 CO -0.07 -2.01 0.19 0.68 -1.06 0.00 0.00 176.35 174.07 1jxf s VAL 15 N 7.02 -0.02 -0.29 1.48 -7.23 -1.26 -4.85 120.40 115.24 1jxf s VAL 15 Ca 0.50 0.08 -0.25 0.00 -1.81 0.00 0.00 61.98 60.50 1jxf s VAL 15 Cb -0.10 -0.28 0.00 0.00 0.56 0.00 0.00 36.38 36.56 1jxf s VAL 15 CO 0.19 0.03 0.85 -0.36 -0.31 0.00 0.00 175.10 175.50 1jxf s PHE 16 N 0.62 3.22 -0.10 2.82 0.08 -1.26 -1.70 117.98 121.67 1jxf s PHE 16 Ca -0.04 0.97 -0.04 0.00 0.12 0.00 0.00 56.93 57.93 1jxf s PHE 16 Cb -0.06 -3.26 0.05 0.00 -0.57 0.00 0.00 43.02 39.18 1jxf s PHE 16 CO -0.03 -0.56 0.21 -1.21 -0.10 0.00 0.00 175.22 173.53 1jxf s GLU 17 N 3.06 0.14 0.16 0.44 2.02 -1.02 -1.59 118.70 121.89 1jxf s GLU 17 Ca 0.35 0.54 -0.30 0.00 0.02 0.00 0.00 54.97 55.59 1jxf s GLU 17 Cb -0.14 -0.14 -0.07 0.00 0.10 0.00 0.00 34.13 33.87 1jxf s GLU 17 CO 0.12 -0.21 1.13 -1.25 0.02 0.00 0.00 175.26 175.06 1jxf s PRO 18 N 1.66 4.55 0.44 0.39 0.04 -1.26 -1.75 135.00 139.07 1jxf s PRO 18 Ca -0.05 1.74 0.15 0.00 0.04 0.00 0.00 61.00 62.88 1jxf s PRO 18 Cb -0.11 -3.28 0.98 0.00 0.04 0.00 0.00 34.50 32.12 1jxf s PRO 18 CO -0.07 0.00 1.97 0.66 0.04 0.00 0.00 177.00 179.60 1jxf h SER 19 N 5.38 0.00 -3.24 6.66 4.64 -1.67 -3.40 113.55 121.92 1jxf h SER 19 Ca -0.44 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.28 1jxf h SER 19 Cb 1.21 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.96 1jxf h SER 19 CO 0.74 0.21 -0.84 -0.89 -0.87 0.00 0.00 176.83 175.18 1jxf s THR 20 N -4.55 1.57 -0.01 2.95 2.01 -1.26 -1.98 115.64 114.37 1jxf s THR 20 Ca -0.04 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.31 1jxf s THR 20 Cb 0.15 -1.43 -0.00 0.00 0.01 0.00 0.00 72.50 71.23 1jxf s THR 20 CO 0.70 0.46 -0.08 0.68 -0.69 0.00 0.00 174.62 175.68 1jxf s VAL 21 N 1.03 0.66 -0.31 3.82 -7.23 -1.24 -5.08 120.40 112.05 1jxf s VAL 21 Ca -0.05 -0.33 0.01 0.00 -1.81 0.00 0.00 61.98 59.80 1jxf s VAL 21 Cb -0.15 -0.58 0.09 0.00 0.56 0.00 0.00 36.38 36.31 1jxf s VAL 21 CO -0.03 0.20 0.06 -0.89 -0.31 0.00 0.00 175.10 174.13 1jxf s THR 22 N 0.00 1.55 0.48 5.32 2.01 -1.26 -2.59 115.64 121.14 1jxf s THR 22 Ca 0.00 -1.77 0.04 0.00 0.31 0.00 0.00 61.69 60.27 1jxf s THR 22 Cb -0.05 -2.11 0.04 0.00 0.01 0.00 0.00 72.50 70.39 1jxf s THR 22 CO -0.00 -0.56 0.30 2.30 -0.69 0.00 0.00 174.62 175.96 1jxf n ILE 23 N 4.58 0.00 -1.41 1.82 -5.35 -1.21 -5.03 119.36 112.76 1jxf n ILE 23 Ca -0.01 -1.96 -0.30 0.00 -0.27 0.00 0.00 62.75 60.21 1jxf n ILE 23 Cb 0.42 0.01 0.21 0.00 -1.74 0.00 0.00 39.64 38.55 1jxf n ILE 23 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1jxf s LYS 24 N -3.93 -0.40 -0.80 6.28 1.02 -1.26 -2.85 119.74 117.81 1jxf s LYS 24 Ca 0.23 -0.16 -0.15 0.00 0.02 0.00 0.00 55.97 55.91 1jxf s LYS 24 Cb -0.02 -1.70 0.20 0.00 -0.52 0.00 0.00 37.83 35.79 1jxf s LYS 24 CO 0.14 -3.15 0.76 0.00 -0.92 0.00 0.00 175.35 172.19 1jxf s ALA 25 N -3.33 3.96 0.00 5.17 0.00 -0.86 -3.94 121.76 122.76 1jxf s ALA 25 Ca 0.71 -3.16 0.00 0.00 0.00 0.00 0.00 51.96 49.52 1jxf s ALA 25 Cb -0.08 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1jxf s ALA 25 CO 0.55 -2.31 0.00 0.41 0.00 0.00 0.00 175.76 174.41 1jxf n GLY 26 N 4.28 0.59 3.77 0.00 0.00 0.31 -4.73 105.19 109.40 1jxf n GLY 26 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1jxf n GLY 26 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jxf s GLU 27 N 0.00 -0.47 0.16 1.61 2.12 -1.25 -4.70 118.70 116.16 1jxf s GLU 27 Ca 0.00 -0.34 0.09 0.00 0.36 0.00 0.00 54.97 55.08 1jxf s GLU 27 Cb 0.00 -1.71 -0.04 0.00 0.26 0.00 0.00 34.13 32.64 1jxf s GLU 27 CO 0.00 -3.17 -0.20 -2.00 -0.54 0.00 0.00 175.26 169.35 1jxf s GLU 28 N -5.73 1.30 -0.08 4.30 2.56 -1.26 -1.49 118.70 118.30 1jxf s GLU 28 Ca 0.74 -1.38 0.02 0.00 0.00 0.00 0.00 54.97 54.35 1jxf s GLU 28 Cb -0.05 -1.46 0.01 0.00 2.00 0.00 0.00 34.13 34.63 1jxf s GLU 28 CO 0.55 0.31 -0.14 0.08 -0.56 0.00 0.00 175.26 175.50 1jxf s VAL 29 N -1.78 1.29 0.04 3.70 1.01 -1.02 -2.18 120.40 121.46 1jxf s VAL 29 Ca 0.15 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 1jxf s VAL 29 Cb -0.07 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1jxf s VAL 29 CO 0.07 0.39 0.23 -0.54 0.00 0.00 0.00 175.10 175.24 1jxf s LYS 30 N 0.68 3.47 -0.37 2.72 1.02 -0.18 -2.02 119.74 125.07 1jxf s LYS 30 Ca -0.14 -0.33 -0.00 0.00 0.02 0.00 0.00 55.97 55.51 1jxf s LYS 30 Cb -0.16 -3.04 0.10 0.00 -0.52 0.00 0.00 37.83 34.21 1jxf s LYS 30 CO 0.04 0.62 0.12 -1.58 -0.92 0.00 0.00 175.35 173.63 1jxf s TRP 31 N -1.45 3.60 0.29 3.18 0.51 -1.00 -0.06 118.94 124.00 1jxf s TRP 31 Ca 0.33 -2.53 -0.16 0.00 -2.12 0.00 0.00 56.10 51.62 1jxf s TRP 31 Cb -0.13 -2.96 -0.09 0.00 -0.81 0.00 0.00 33.47 29.49 1jxf s TRP 31 CO 0.24 -0.94 0.72 0.08 -0.51 0.00 0.00 176.95 176.54 1jxf s VAL 32 N 1.08 4.66 0.42 4.03 1.01 0.13 -3.21 120.40 128.51 1jxf s VAL 32 Ca 0.07 1.02 0.05 0.00 0.00 0.00 0.00 61.98 63.12 1jxf s VAL 32 Cb -0.21 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.43 1jxf s VAL 32 CO -0.05 -0.07 0.02 0.20 0.00 0.00 0.00 175.10 175.20 1jxf s ASN 33 N -2.10 3.71 0.02 3.32 0.01 -1.26 0.19 114.94 118.82 1jxf s ASN 33 Ca 0.51 -1.43 0.00 0.00 -0.71 0.00 0.00 52.86 51.22 1jxf s ASN 33 Cb -0.12 -0.16 0.00 0.00 0.41 0.00 0.00 41.25 41.38 1jxf s ASN 33 CO 0.18 -0.56 0.00 0.59 -1.51 0.00 0.00 177.10 175.80 1jxf n ASN 34 N -1.00 -0.11 -3.89 -1.22 3.02 -1.20 -4.83 115.26 106.03 1jxf n ASN 34 Ca -0.07 0.03 -0.26 0.00 -0.03 0.00 0.00 54.58 54.25 1jxf n ASN 34 Cb 0.67 0.41 -0.07 0.00 -0.61 0.00 0.00 39.78 40.18 1jxf n ASN 34 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1jxf n LYS 35 N -2.54 0.56 -2.56 3.52 5.02 -1.25 -4.96 118.16 115.96 1jxf n LYS 35 Ca 0.00 -3.51 -0.00 0.00 -2.02 0.00 0.00 58.31 52.78 1jxf n LYS 35 Cb 0.00 1.95 0.00 0.00 -0.02 0.00 0.00 35.03 36.96 1jxf n LYS 35 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1jxf n LEU 36 N 0.00 -5.27 -4.31 -0.35 7.99 -1.26 -4.64 117.00 109.16 1jxf n LEU 36 Ca -0.05 -0.05 -0.17 0.00 -0.01 0.00 0.00 56.01 55.73 1jxf n LEU 36 Cb 0.62 -2.58 -0.10 0.00 -0.11 0.00 0.00 43.42 41.25 1jxf n LEU 36 CO 0.33 -0.77 -0.35 -0.94 -1.51 0.00 0.00 177.39 174.15 1jxf s SER 37 N -2.68 1.84 0.78 -1.43 1.04 -1.26 -4.32 113.70 107.67 1jxf s SER 37 Ca 0.00 -1.17 -0.11 0.00 0.48 0.00 0.00 55.95 55.15 1jxf s SER 37 Cb -0.00 0.00 0.06 0.00 0.10 0.00 0.00 66.02 66.18 1jxf s SER 37 CO 0.51 -0.46 1.09 -2.16 0.98 0.00 0.00 173.24 173.20 1jxf s PRO 38 N -3.83 2.25 -0.08 4.02 0.04 -1.26 -5.19 135.00 130.95 1jxf s PRO 38 Ca 0.26 0.70 -0.06 0.00 0.04 0.00 0.00 61.00 61.94 1jxf s PRO 38 Cb 0.05 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.69 1jxf s PRO 38 CO 0.07 -1.52 0.20 -1.01 0.04 0.00 0.00 177.00 174.78 1jxf s HIS 39 N -3.14 -0.24 0.50 0.56 3.76 -1.26 -5.02 115.29 110.46 1jxf s HIS 39 Ca 0.60 0.59 0.07 0.00 -0.15 0.00 0.00 55.06 56.17 1jxf s HIS 39 Cb -0.14 0.04 0.03 0.00 1.11 0.00 0.00 32.58 33.62 1jxf s HIS 39 CO 0.54 -0.15 0.50 -0.80 -0.85 0.00 0.00 174.74 173.98 1jxf s ASN 40 N 0.60 4.94 -0.30 1.40 -0.87 -1.26 -4.06 114.94 115.39 1jxf s ASN 40 Ca -0.04 -0.94 -0.02 0.00 -1.57 0.00 0.00 52.86 50.29 1jxf s ASN 40 Cb -0.06 -0.01 0.11 0.00 -0.02 0.00 0.00 41.25 41.28 1jxf s ASN 40 CO -0.03 -0.99 0.19 -0.63 -2.57 0.00 0.00 177.10 173.07 1jxf s ILE 41 N -2.62 -0.17 -0.20 0.60 1.01 -1.18 -4.27 121.20 114.38 1jxf s ILE 41 Ca 0.47 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 60.36 1jxf s ILE 41 Cb -0.04 -0.98 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 1jxf s ILE 41 CO 0.28 -0.66 -0.07 0.68 0.00 0.00 0.00 174.94 175.17 1jxf s VAL 42 N 2.11 3.25 -0.60 2.92 -7.23 -1.15 0.80 120.40 120.49 1jxf s VAL 42 Ca 0.10 -0.55 -0.20 0.00 -1.81 0.00 0.00 61.98 59.52 1jxf s VAL 42 Cb -0.16 -2.45 0.09 0.00 0.56 0.00 0.00 36.38 34.42 1jxf s VAL 42 CO -0.33 0.45 0.76 -0.36 -0.31 0.00 0.00 175.10 175.32 1jxf s PHE 43 N 1.19 2.92 0.09 2.82 0.08 -1.26 -3.24 117.98 120.59 1jxf s PHE 43 Ca 0.02 -0.80 -0.30 0.00 0.12 0.00 0.00 56.93 55.97 1jxf s PHE 43 Cb -0.14 -4.03 -0.06 0.00 -0.57 0.00 0.00 43.02 38.22 1jxf s PHE 43 CO -0.02 -1.35 1.11 0.00 -0.10 0.00 0.00 175.22 174.86 1jxf s ALA 44 N 3.03 3.33 -0.79 5.36 0.00 -0.95 -4.61 121.76 127.14 1jxf s ALA 44 Ca 0.15 0.77 -0.23 0.00 0.00 0.00 0.00 51.96 52.64 1jxf s ALA 44 Cb -0.22 -3.39 -0.17 0.00 0.00 0.00 0.00 23.12 19.35 1jxf s ALA 44 CO 0.08 -0.30 2.38 0.00 0.00 0.00 0.00 175.76 177.92 1jxf n ALA 45 N 3.34 0.52 -3.78 0.00 0.00 -1.26 -4.00 120.51 115.33 1jxf n ALA 45 Ca 0.06 -1.20 -0.29 0.00 0.00 0.00 0.00 53.44 52.01 1jxf n ALA 45 Cb 0.47 -3.10 -0.11 0.00 0.00 0.00 0.00 19.45 16.72 1jxf n ALA 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jxf n ASP 46 N 15.94 3.30 0.00 0.00 9.92 -1.26 -4.68 116.55 139.77 1jxf n ASP 46 Ca 0.50 -3.26 0.00 0.00 -0.53 0.00 0.00 54.79 51.50 1jxf n ASP 46 Cb 0.38 -0.77 0.00 0.00 -0.64 0.00 0.00 41.12 40.10 1jxf n ASP 46 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jxf n GLY 47 N 1.75 2.30 3.92 0.44 0.00 -1.26 -4.46 105.19 107.89 1jxf n GLY 47 Ca 0.22 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.04 1jxf n GLY 47 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1jxf n VAL 48 N -0.41 0.00 -1.54 1.61 3.14 -1.24 -4.66 118.33 115.24 1jxf n VAL 48 Ca 0.00 -1.98 -0.29 0.00 -2.96 0.00 0.00 64.34 59.11 1jxf n VAL 48 Cb 0.00 -0.45 0.12 0.00 -1.06 0.00 0.00 33.84 32.44 1jxf n VAL 48 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1jxf s ASP 49 N -4.58 3.91 -0.00 6.55 1.01 -1.26 -4.83 116.67 117.47 1jxf s ASP 49 Ca 0.58 1.12 -0.00 0.00 0.71 0.00 0.00 52.55 54.95 1jxf s ASP 49 Cb -0.05 -1.76 -0.00 0.00 1.01 0.00 0.00 42.92 42.12 1jxf s ASP 49 CO 0.37 -2.31 0.12 0.00 0.21 0.00 0.00 175.17 173.56 1jxf h ALA 50 N -1.33 -0.12 -0.95 5.23 0.00 -1.98 -2.71 119.26 117.40 1jxf h ALA 50 Ca -0.49 -0.00 0.24 0.00 0.00 0.00 0.00 54.91 54.66 1jxf h ALA 50 Cb 1.30 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.92 1jxf h ALA 50 CO 0.61 -0.12 -0.01 -0.44 0.00 0.00 0.00 179.25 179.29 1jxf h ASP 51 N -0.00 -0.50 -0.07 0.00 3.32 -1.97 1.01 116.42 118.21 1jxf h ASP 51 Ca -0.00 0.27 0.04 0.00 0.02 0.00 0.00 57.03 57.36 1jxf h ASP 51 Cb 0.00 0.47 -0.05 0.00 0.22 0.00 0.00 39.33 39.97 1jxf h ASP 51 CO 0.00 -0.32 -0.25 0.74 -1.72 0.00 0.00 179.24 177.70 1jxf h THR 52 N 0.03 0.42 0.00 0.35 2.02 -1.97 0.16 112.91 113.92 1jxf h THR 52 Ca 0.55 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.72 1jxf h THR 52 Cb 1.08 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1jxf h THR 52 CO -0.89 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 174.93 1jxf h ALA 53 N 0.55 1.11 0.00 6.16 0.00 0.48 -1.00 119.26 126.55 1jxf h ALA 53 Ca 0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1jxf h ALA 53 Cb 0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1jxf h ALA 53 CO -0.26 0.10 -0.20 0.00 0.00 0.00 0.00 179.25 178.88 1jxf h ALA 54 N 1.92 1.38 0.11 0.00 0.00 0.36 1.19 119.26 124.23 1jxf h ALA 54 Ca -0.00 -0.19 -0.35 0.00 0.00 0.00 0.00 54.91 54.37 1jxf h ALA 54 Cb 0.39 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1jxf h ALA 54 CO 0.01 0.26 -1.91 0.87 0.00 0.00 0.00 179.25 178.48 1jxf h LYS 55 N 0.00 0.24 0.00 0.00 1.57 -0.39 -3.33 116.57 114.66 1jxf h LYS 55 Ca -0.00 -0.41 -0.03 0.00 -1.87 0.00 0.00 60.65 58.34 1jxf h LYS 55 Cb 0.44 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1jxf h LYS 55 CO 0.03 1.11 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.80 1jxf h LEU 56 N 0.07 0.00 -9.74 2.94 3.38 -1.01 -3.44 115.31 107.51 1jxf h LEU 56 Ca -0.39 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.07 1jxf h LEU 56 Cb 2.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.80 1jxf h LEU 56 CO 0.10 0.15 0.49 -0.44 0.09 0.00 0.00 178.44 178.83 1jxf s SER 57 N -6.09 7.22 -0.40 -0.43 0.01 0.41 -4.61 113.70 109.81 1jxf s SER 57 Ca 0.03 2.22 -0.01 0.00 1.31 0.00 0.00 55.95 59.49 1jxf s SER 57 Cb 0.08 -2.62 0.11 0.00 0.21 0.00 0.00 66.02 63.81 1jxf s SER 57 CO 0.63 -0.22 0.17 -1.00 0.41 0.00 0.00 173.24 173.24 1jxf s HIS 58 N -0.67 3.62 -0.87 2.43 3.76 0.24 -4.86 115.29 118.94 1jxf s HIS 58 Ca 0.48 -2.59 -0.01 0.00 -0.15 0.00 0.00 55.06 52.78 1jxf s HIS 58 Cb -0.31 -3.15 0.35 0.00 1.11 0.00 0.00 32.58 30.58 1jxf s HIS 58 CO 0.39 -0.96 1.91 1.63 -0.85 0.00 0.00 174.74 176.86 1jxf n LYS 59 N 4.44 3.44 0.00 1.40 5.02 -1.26 -3.09 118.16 128.11 1jxf n LYS 59 Ca -0.00 -3.87 0.00 0.00 -2.02 0.00 0.00 58.31 52.42 1jxf n LYS 59 Cb 0.41 -2.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.11 1jxf n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jxf n GLY 60 N -0.42 3.67 2.62 0.72 0.00 -1.26 -5.11 105.19 105.42 1jxf n GLY 60 Ca 0.51 -1.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.35 1jxf n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jxf s LEU 61 N 0.00 0.30 -0.70 0.99 2.01 -1.26 -4.87 118.68 115.14 1jxf s LEU 61 Ca 0.00 -0.52 -0.25 0.00 0.01 0.00 0.00 54.13 53.38 1jxf s LEU 61 Cb 0.00 -0.20 0.05 0.00 0.01 0.00 0.00 46.19 46.05 1jxf s LEU 61 CO 0.00 -0.34 1.12 0.00 1.01 0.00 0.00 176.35 178.14 1jxf s ALA 62 N 2.15 2.94 -0.29 4.21 0.00 -1.26 -4.81 121.76 124.71 1jxf s ALA 62 Ca 0.03 -1.62 0.17 0.00 0.00 0.00 0.00 51.96 50.53 1jxf s ALA 62 Cb -0.16 -4.06 0.48 0.00 0.00 0.00 0.00 23.12 19.39 1jxf s ALA 62 CO -0.08 -3.03 1.11 1.19 0.00 0.00 0.00 175.76 174.95 1jxf n PHE 63 N 8.51 1.82 -3.61 0.00 3.01 -1.26 -4.22 117.46 121.71 1jxf n PHE 63 Ca -0.00 -2.31 -0.16 0.00 1.01 0.00 0.00 57.45 55.99 1jxf n PHE 63 Cb 0.47 -0.27 -0.14 0.00 -0.01 0.00 0.00 39.48 39.53 1jxf n PHE 63 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jxf s ALA 64 N -3.65 -0.32 -0.98 4.37 0.00 -1.26 -5.07 121.76 114.85 1jxf s ALA 64 Ca 0.35 0.58 -0.24 0.00 0.00 0.00 0.00 51.96 52.65 1jxf s ALA 64 Cb 0.37 -1.04 -0.06 0.00 0.00 0.00 0.00 23.12 22.39 1jxf s ALA 64 CO -0.02 -0.80 1.93 0.00 0.00 0.00 0.00 175.76 176.88 1jxf s ALA 65 N 2.34 1.72 0.00 0.00 0.00 -1.26 -2.77 121.76 121.79 1jxf s ALA 65 Ca 0.04 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.30 1jxf s ALA 65 Cb -0.13 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.40 1jxf s ALA 65 CO -0.09 -4.90 0.00 0.41 0.00 0.00 0.00 175.76 171.19 1jxf n GLY 66 N 6.58 0.41 3.04 0.00 0.00 -1.26 -5.16 105.19 108.79 1jxf n GLY 66 Ca 0.41 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.26 1jxf n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jxf s GLU 67 N 0.00 0.64 -0.07 1.61 -6.30 -1.12 -5.10 118.70 108.37 1jxf s GLU 67 Ca 0.00 -0.47 -0.04 0.00 -2.50 0.00 0.00 54.97 51.96 1jxf s GLU 67 Cb 0.00 -0.58 0.03 0.00 0.00 0.00 0.00 34.13 33.58 1jxf s GLU 67 CO 0.00 0.15 0.16 -1.54 0.02 0.00 0.00 175.26 174.05 1jxf s SER 68 N -0.67 -0.14 1.08 -1.70 1.04 -1.25 -4.04 113.70 108.01 1jxf s SER 68 Ca -0.00 0.32 -0.18 0.00 0.48 0.00 0.00 55.95 56.57 1jxf s SER 68 Cb -0.05 0.26 0.25 0.00 0.10 0.00 0.00 66.02 66.57 1jxf s SER 68 CO 0.00 -0.11 1.26 0.49 0.98 0.00 0.00 173.24 175.86 1jxf n PHE 69 N 3.75 -3.97 -3.85 5.02 3.72 -1.20 -4.68 117.46 116.25 1jxf n PHE 69 Ca -0.21 -1.12 -0.12 0.00 -0.05 0.00 0.00 57.45 55.95 1jxf n PHE 69 Cb 0.55 -1.07 -0.13 0.00 -0.94 0.00 0.00 39.48 37.89 1jxf n PHE 69 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1jxf s THR 70 N -3.61 0.01 0.02 4.37 -4.23 -1.26 -2.38 115.64 108.55 1jxf s THR 70 Ca 0.74 -0.10 0.05 0.00 -1.18 0.00 0.00 61.69 61.20 1jxf s THR 70 Cb -0.04 -0.16 -0.02 0.00 1.34 0.00 0.00 72.50 73.62 1jxf s THR 70 CO 0.53 -0.06 -0.16 -0.55 -0.54 0.00 0.00 174.62 173.85 1jxf s SER 71 N -0.14 1.87 -0.70 3.99 0.15 -0.86 -4.95 113.70 113.05 1jxf s SER 71 Ca -0.02 -0.39 -0.18 0.00 0.70 0.00 0.00 55.95 56.06 1jxf s SER 71 Cb -0.02 -0.17 0.13 0.00 -1.71 0.00 0.00 66.02 64.25 1jxf s SER 71 CO 0.00 0.13 0.82 -0.89 1.20 0.00 0.00 173.24 174.50 1jxf s THR 72 N -0.62 4.89 -1.09 6.45 2.01 -1.26 -2.44 115.64 123.58 1jxf s THR 72 Ca 0.05 -1.31 -0.08 0.00 0.31 0.00 0.00 61.69 60.66 1jxf s THR 72 Cb -0.07 -4.56 -0.09 0.00 0.01 0.00 0.00 72.50 67.79 1jxf s THR 72 CO 0.01 -1.22 3.03 0.49 -0.69 0.00 0.00 174.62 176.23 1jxf n PHE 73 N 6.10 1.79 -0.04 4.92 3.01 -0.56 -4.47 117.46 128.22 1jxf n PHE 73 Ca 0.02 -2.58 -0.01 0.00 1.01 0.00 0.00 57.45 55.89 1jxf n PHE 73 Cb 0.45 -2.09 -0.00 0.00 -0.01 0.00 0.00 39.48 37.82 1jxf n PHE 73 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1jxf h THR 74 N 2.62 0.00 -2.64 4.37 2.02 -1.84 0.88 112.91 118.32 1jxf h THR 74 Ca 0.65 -0.59 -0.53 0.00 0.77 0.00 0.00 66.41 66.71 1jxf h THR 74 Cb 0.62 0.00 0.04 0.00 -1.74 0.00 0.00 68.15 67.07 1jxf h THR 74 CO 1.29 0.00 1.03 -1.61 0.37 0.00 0.00 175.52 176.60 1jxf s GLU 75 N -1.53 4.16 -0.27 6.66 2.02 -1.26 -4.08 118.70 124.39 1jxf s GLU 75 Ca -0.04 2.51 -0.29 0.00 0.02 0.00 0.00 54.97 57.16 1jxf s GLU 75 Cb 0.01 -3.43 -0.00 0.00 0.10 0.00 0.00 34.13 30.81 1jxf s GLU 75 CO 0.07 -0.77 1.33 -1.25 0.02 0.00 0.00 175.26 174.66 1jxf s PRO 76 N 2.17 3.94 0.00 0.39 0.04 -1.26 -4.83 135.00 135.45 1jxf s PRO 76 Ca 0.77 1.35 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1jxf s PRO 76 Cb -0.45 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.20 1jxf s PRO 76 CO 0.34 -1.09 0.00 0.41 0.04 0.00 0.00 177.00 176.70 1jxf n GLY 77 N 4.27 2.20 2.75 0.56 0.00 -1.24 -5.00 105.19 108.73 1jxf n GLY 77 Ca 0.15 -0.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 1jxf n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jxf s THR 78 N -0.56 -0.28 -0.05 2.61 2.01 -1.26 -2.71 115.64 115.40 1jxf s THR 78 Ca 0.00 -0.03 -0.02 0.00 0.31 0.00 0.00 61.69 61.95 1jxf s THR 78 Cb 0.00 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 1jxf s THR 78 CO 0.00 -0.15 0.06 -0.31 -0.69 0.00 0.00 174.62 173.54 1jxf s TYR 79 N 2.29 3.29 -0.27 4.92 2.02 -1.18 -3.62 117.35 124.81 1jxf s TYR 79 Ca 0.05 0.25 0.02 0.00 -0.37 0.00 0.00 57.07 57.02 1jxf s TYR 79 Cb -0.15 -1.78 0.06 0.00 -0.40 0.00 0.00 41.96 39.69 1jxf s TYR 79 CO -0.10 0.55 -0.09 0.99 -1.57 0.00 0.00 175.55 175.33 1jxf s THR 80 N -1.07 2.34 -0.14 -0.71 2.01 -1.26 0.05 115.64 116.87 1jxf s THR 80 Ca 0.19 -1.58 -0.05 0.00 0.31 0.00 0.00 61.69 60.56 1jxf s THR 80 Cb -0.12 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 1jxf s THR 80 CO 0.09 -0.04 0.03 -0.72 -0.69 0.00 0.00 174.62 173.29 1jxf s TYR 81 N 1.13 3.22 0.33 4.92 -0.85 -0.93 -2.23 117.35 122.95 1jxf s TYR 81 Ca -0.08 0.11 0.01 0.00 -0.52 0.00 0.00 57.07 56.59 1jxf s TYR 81 Cb -0.20 -1.94 -0.00 0.00 0.38 0.00 0.00 41.96 40.20 1jxf s TYR 81 CO -0.04 0.31 0.41 2.48 -1.52 0.00 0.00 175.55 177.19 1jxf n TYR 82 N 2.84 -1.21 -3.09 -3.49 0.18 -1.20 -0.04 117.16 111.15 1jxf n TYR 82 Ca -0.18 -2.40 -0.34 0.00 1.88 0.00 0.00 57.90 56.86 1jxf n TYR 82 Cb 0.53 0.45 -0.06 0.00 -0.38 0.00 0.00 39.34 39.88 1jxf n TYR 82 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1jxf h GLU 84 N 2.85 -0.05 -0.03 0.00 5.08 -1.96 -1.39 114.58 119.08 1jxf h GLU 84 Ca -0.48 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.77 1jxf h GLU 84 Cb 1.18 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.45 1jxf h GLU 84 CO 0.65 0.43 -0.43 -1.00 -1.00 0.00 0.00 179.01 177.66 1jxf h PRO 85 N -0.56 0.34 -1.33 2.33 0.13 -1.94 -3.22 132.00 127.74 1jxf h PRO 85 Ca -0.01 -0.33 -0.39 0.00 -0.87 0.00 0.00 66.00 64.40 1jxf h PRO 85 Cb 0.51 0.08 -0.18 0.00 0.13 0.00 0.00 31.00 31.54 1jxf h PRO 85 CO 0.01 1.00 0.51 0.72 -0.23 0.00 0.00 178.00 180.01 1jxf n HIS 86 N -4.35 1.93 0.36 1.56 8.25 -1.25 -4.51 115.22 117.21 1jxf n HIS 86 Ca -0.09 -2.08 -0.15 0.00 -0.26 0.00 0.00 57.72 55.14 1jxf n HIS 86 Cb 0.58 -1.01 -0.07 0.00 1.12 0.00 0.00 29.99 30.60 1jxf n HIS 86 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1jxf h ARG 87 N 1.44 -0.91 -2.76 -0.41 2.43 -1.26 -3.34 114.38 109.57 1jxf h ARG 87 Ca 0.37 0.06 -0.78 0.00 -0.81 0.00 0.00 59.98 58.83 1jxf h ARG 87 Cb 1.09 0.21 -0.30 0.00 -0.42 0.00 0.00 29.97 30.54 1jxf h ARG 87 CO 0.91 -0.59 0.58 0.41 -1.51 0.00 0.00 179.97 179.78 1jxf n GLY 88 N -0.72 5.19 1.44 2.80 0.00 -1.26 -4.44 105.19 108.20 1jxf n GLY 88 Ca -0.12 -2.68 0.00 0.00 0.00 0.00 0.00 46.02 43.22 1jxf n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jxf n ALA 89 N 1.15 2.74 0.00 4.61 0.00 -1.25 -5.05 120.51 122.70 1jxf n ALA 89 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1jxf n ALA 89 Cb 0.34 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1jxf n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jxf n GLY 90 N 1.56 0.00 2.69 0.00 0.00 -1.26 -5.14 105.19 103.04 1jxf n GLY 90 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1jxf n GLY 90 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1jxf s MET 91 N 0.00 0.32 0.22 1.61 -2.45 -1.26 -5.02 119.30 112.73 1jxf s MET 91 Ca 0.00 -0.34 -0.08 0.00 -1.25 0.00 0.00 55.69 54.02 1jxf s MET 91 Cb 0.00 -0.81 -0.02 0.00 1.25 0.00 0.00 34.83 35.25 1jxf s MET 91 CO 0.00 -1.05 0.32 0.08 1.05 0.00 0.00 175.02 175.42 1jxf s VAL 92 N 2.18 0.01 0.05 10.11 1.01 -1.26 -3.63 120.40 128.86 1jxf s VAL 92 Ca 0.10 -1.65 -0.04 0.00 0.00 0.00 0.00 61.98 60.39 1jxf s VAL 92 Cb -0.15 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 1jxf s VAL 92 CO -0.30 -0.03 0.06 -0.83 0.00 0.00 0.00 175.10 174.00 1jxf s GLY 93 N -3.07 0.25 0.03 4.51 0.00 0.95 -4.73 107.32 105.25 1jxf s GLY 93 Ca 0.29 -0.75 0.08 0.00 0.00 0.00 0.00 44.72 44.33 1jxf s GLY 93 CO 0.09 -0.88 -0.22 0.54 0.00 0.00 0.00 173.10 172.63 1jxf s LYS 94 N -3.02 1.58 0.07 2.90 -0.14 -0.84 -2.18 119.74 118.12 1jxf s LYS 94 Ca -0.01 -0.93 0.09 0.00 -1.36 0.00 0.00 55.97 53.75 1jxf s LYS 94 Cb 0.01 -1.66 -0.03 0.00 -1.68 0.00 0.00 37.83 34.47 1jxf s LYS 94 CO -0.07 0.44 -0.23 0.08 -0.76 0.00 0.00 175.35 174.81 1jxf s VAL 95 N -0.72 1.90 -0.26 3.17 1.01 0.11 -3.69 120.40 121.92 1jxf s VAL 95 Ca 0.09 -1.43 -0.04 0.00 0.00 0.00 0.00 61.98 60.60 1jxf s VAL 95 Cb -0.09 -1.67 0.09 0.00 0.00 0.00 0.00 36.38 34.71 1jxf s VAL 95 CO 0.01 0.16 0.11 -0.69 0.00 0.00 0.00 175.10 174.69 1jxf s VAL 96 N -0.93 0.04 -0.10 2.92 1.01 -1.07 -3.08 120.40 119.19 1jxf s VAL 96 Ca 0.09 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 1jxf s VAL 96 Cb -0.10 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 1jxf s VAL 96 CO 0.03 -0.60 0.18 -0.69 0.00 0.00 0.00 175.10 174.02 1jxf s VAL 97 N 2.05 5.44 0.00 2.92 1.01 -1.10 -3.31 120.40 127.42 1jxf s VAL 97 Ca 0.07 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1jxf s VAL 97 Cb -0.16 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1jxf s VAL 97 CO -0.28 0.59 0.39 -0.67 0.00 0.00 0.00 175.10 175.13