#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 1.22 -0.23 0.00 0.01 -1.26 -4.78 114.94 109.90 1jxf s ASN 2 Ca 0.00 -1.60 -0.26 0.00 -0.71 0.00 0.00 52.86 50.29 1jxf s ASN 2 Cb 0.00 0.61 -0.00 0.00 0.41 0.00 0.00 41.25 42.27 1jxf s ASN 2 CO 0.00 -1.19 0.89 0.00 -1.51 0.00 0.00 177.10 175.29 1jxf s ALA 3 N -3.23 3.64 -0.13 0.60 0.00 -1.15 -4.87 121.76 116.62 1jxf s ALA 3 Ca 0.35 -0.02 -0.19 0.00 0.00 0.00 0.00 51.96 52.10 1jxf s ALA 3 Cb 0.01 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1jxf s ALA 3 CO 0.23 -0.92 0.53 0.99 0.00 0.00 0.00 175.76 176.60 1jxf s THR 4 N 2.83 5.14 -0.26 0.00 2.01 -1.26 -0.73 115.64 123.36 1jxf s THR 4 Ca 0.38 1.05 -0.03 0.00 0.31 0.00 0.00 61.69 63.40 1jxf s THR 4 Cb -0.15 -3.87 0.09 0.00 0.01 0.00 0.00 72.50 68.58 1jxf s THR 4 CO 0.08 0.27 0.10 -0.69 -0.69 0.00 0.00 174.62 173.69 1jxf s VAL 5 N 0.93 0.31 0.41 3.82 1.01 -0.60 -4.41 120.40 121.86 1jxf s VAL 5 Ca 0.28 -0.84 -0.23 0.00 0.00 0.00 0.00 61.98 61.19 1jxf s VAL 5 Cb -0.16 -1.14 -0.09 0.00 0.00 0.00 0.00 36.38 34.99 1jxf s VAL 5 CO 0.11 -0.57 1.02 -1.59 0.00 0.00 0.00 175.10 174.07 1jxf s LYS 6 N 1.92 4.16 -0.48 2.72 -2.85 -0.56 -2.58 119.74 122.07 1jxf s LYS 6 Ca 0.07 1.39 0.03 0.00 -1.00 0.00 0.00 55.97 56.45 1jxf s LYS 6 Cb -0.17 -2.42 0.45 0.00 -2.06 0.00 0.00 37.83 33.63 1jxf s LYS 6 CO -0.25 -0.12 1.57 -1.33 0.10 0.00 0.00 175.35 175.32 1jxf n MET 7 N -0.26 3.19 0.00 1.78 2.81 -0.39 -2.75 117.12 121.50 1jxf n MET 7 Ca 0.06 -3.80 0.00 0.00 -1.81 0.00 0.00 57.70 52.15 1jxf n MET 7 Cb 0.51 -2.28 0.00 0.00 -0.71 0.00 0.00 33.22 30.74 1jxf n MET 7 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jxf n GLY 8 N -0.78 2.00 3.14 3.03 0.00 -1.07 -4.33 105.19 107.19 1jxf n GLY 8 Ca 0.52 0.13 -0.37 0.00 0.00 0.00 0.00 46.02 46.30 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 -4.68 -3.26 1.61 3.41 -0.94 -4.34 113.62 105.42 1jxf n SER 9 Ca 0.00 0.39 -0.31 0.00 -0.26 0.00 0.00 58.87 58.69 1jxf n SER 9 Cb 0.00 -0.84 -0.02 0.00 -0.26 0.00 0.00 64.21 63.08 1jxf n SER 9 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1jxf n ASP 10 N 2.67 6.82 0.01 4.04 5.68 -1.26 -3.66 116.55 130.85 1jxf n ASP 10 Ca 0.03 -2.46 0.00 0.00 -0.50 0.00 0.00 54.79 51.86 1jxf n ASP 10 Cb 0.52 -1.34 0.00 0.00 -1.14 0.00 0.00 41.12 39.16 1jxf n ASP 10 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1jxf n SER 11 N 3.97 -0.08 0.00 -1.12 2.88 -1.26 -5.07 113.62 112.94 1jxf n SER 11 Ca 0.62 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 1jxf n SER 11 Cb 0.19 0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 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 0.16 0.00 2.75 0.46 0.00 -1.24 -5.01 105.19 102.30 1jxf n GLY 12 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.07 -0.69 4.61 0.00 -1.26 -5.00 121.76 119.49 1jxf s ALA 13 Ca 0.00 0.34 -0.27 0.00 0.00 0.00 0.00 51.96 52.03 1jxf s ALA 13 Cb 0.00 -0.63 0.03 0.00 0.00 0.00 0.00 23.12 22.52 1jxf s ALA 13 CO 0.00 -0.45 1.31 -0.48 0.00 0.00 0.00 175.76 176.15 1jxf s LEU 14 N 2.02 3.24 -0.05 0.00 0.05 -1.26 -2.20 118.68 120.48 1jxf s LEU 14 Ca 0.02 -0.23 -0.04 0.00 0.05 0.00 0.00 54.13 53.93 1jxf s LEU 14 Cb -0.12 -2.71 0.02 0.00 -2.05 0.00 0.00 46.19 41.32 1jxf s LEU 14 CO -0.04 -1.80 0.12 0.68 -0.55 0.00 0.00 176.35 174.76 1jxf s VAL 15 N 5.84 -0.01 -0.61 1.48 -7.23 -1.26 -4.88 120.40 113.74 1jxf s VAL 15 Ca 0.40 0.05 -0.24 0.00 -1.81 0.00 0.00 61.98 60.37 1jxf s VAL 15 Cb -0.08 -0.18 0.05 0.00 0.56 0.00 0.00 36.38 36.73 1jxf s VAL 15 CO 0.18 0.02 1.01 -0.36 -0.31 0.00 0.00 175.10 175.64 1jxf s PHE 16 N 0.34 2.68 -0.05 2.82 0.08 -1.26 -2.58 117.98 120.00 1jxf s PHE 16 Ca -0.02 -0.14 0.01 0.00 0.12 0.00 0.00 56.93 56.89 1jxf s PHE 16 Cb -0.04 -4.23 0.02 0.00 -0.57 0.00 0.00 43.02 38.20 1jxf s PHE 16 CO -0.01 -1.54 -0.05 -1.21 -0.10 0.00 0.00 175.22 172.31 1jxf s GLU 17 N 4.27 0.91 0.23 0.44 2.02 -1.11 -0.53 118.70 124.92 1jxf s GLU 17 Ca 0.29 -0.11 -0.30 0.00 0.02 0.00 0.00 54.97 54.88 1jxf s GLU 17 Cb -0.13 -0.94 -0.09 0.00 0.10 0.00 0.00 34.13 33.07 1jxf s GLU 17 CO 0.17 -0.11 1.10 -1.25 0.02 0.00 0.00 175.26 175.18 1jxf s PRO 18 N 1.08 4.62 0.62 0.39 0.04 -1.26 -1.50 135.00 138.99 1jxf s PRO 18 Ca -0.08 1.76 0.36 0.00 0.04 0.00 0.00 61.00 63.08 1jxf s PRO 18 Cb -0.14 -3.24 2.06 0.00 0.04 0.00 0.00 34.50 33.22 1jxf s PRO 18 CO -0.01 0.14 2.29 0.66 0.04 0.00 0.00 177.00 180.13 1jxf h SER 19 N 4.51 0.00 -3.46 6.66 4.64 -1.17 -3.40 113.55 121.33 1jxf h SER 19 Ca -0.45 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.55 1jxf h SER 19 Cb 1.21 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.95 1jxf h SER 19 CO 0.70 0.01 -0.72 -0.89 -0.87 0.00 0.00 176.83 175.05 1jxf s THR 20 N -4.39 -0.08 0.05 2.95 2.01 -1.26 -0.46 115.64 114.46 1jxf s THR 20 Ca -0.05 0.27 0.05 0.00 0.31 0.00 0.00 61.69 62.27 1jxf s THR 20 Cb 0.14 -0.11 -0.02 0.00 0.01 0.00 0.00 72.50 72.52 1jxf s THR 20 CO 0.49 0.11 -0.14 0.68 -0.69 0.00 0.00 174.62 175.08 1jxf s VAL 21 N 1.37 1.06 -0.31 3.82 -7.23 -1.19 -5.05 120.40 112.87 1jxf s VAL 21 Ca -0.05 -1.07 -0.01 0.00 -1.81 0.00 0.00 61.98 59.04 1jxf s VAL 21 Cb -0.13 -0.99 0.10 0.00 0.56 0.00 0.00 36.38 35.93 1jxf s VAL 21 CO -0.03 -0.08 0.10 -0.89 -0.31 0.00 0.00 175.10 173.89 1jxf s THR 22 N -0.98 0.86 0.54 5.32 2.01 -1.26 -2.24 115.64 119.89 1jxf s THR 22 Ca -0.00 -1.39 0.05 0.00 0.31 0.00 0.00 61.69 60.66 1jxf s THR 22 Cb -0.08 -1.66 0.05 0.00 0.01 0.00 0.00 72.50 70.82 1jxf s THR 22 CO 0.01 -0.68 0.45 2.30 -0.69 0.00 0.00 174.62 176.02 1jxf n ILE 23 N 4.85 0.00 -1.80 1.82 -6.64 -1.20 -5.00 119.36 111.39 1jxf n ILE 23 Ca -0.02 -2.07 -0.30 0.00 -1.77 0.00 0.00 62.75 58.59 1jxf n ILE 23 Cb 0.42 -0.11 0.16 0.00 -1.44 0.00 0.00 39.64 38.67 1jxf n ILE 23 CO 0.00 0.00 0.00 -0.54 -1.77 0.00 0.00 176.55 174.24 1jxf s LYS 24 N -4.23 0.80 -0.33 6.28 -0.14 -1.26 -2.35 119.74 118.50 1jxf s LYS 24 Ca 0.34 -0.19 -0.16 0.00 -1.36 0.00 0.00 55.97 54.60 1jxf s LYS 24 Cb -0.03 -1.84 -0.01 0.00 -1.68 0.00 0.00 37.83 34.27 1jxf s LYS 24 CO 0.22 -2.34 0.43 0.00 -0.76 0.00 0.00 175.35 172.90 1jxf s ALA 25 N -3.67 3.50 0.00 5.17 0.00 -0.48 -3.88 121.76 122.39 1jxf s ALA 25 Ca 0.70 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1jxf s ALA 25 Cb -0.07 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1jxf s ALA 25 CO 0.52 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.62 1jxf n GLY 26 N 4.84 2.18 3.80 0.00 0.00 0.21 -4.89 105.19 111.32 1jxf n GLY 26 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 0.31 0.49 1.61 2.56 -1.25 -4.63 118.70 117.79 1jxf s GLU 27 Ca 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 54.97 54.91 1jxf s GLU 27 Cb 0.00 -1.78 -0.01 0.00 2.00 0.00 0.00 34.13 34.34 1jxf s GLU 27 CO 0.00 -2.68 0.13 -1.21 -0.56 0.00 0.00 175.26 170.94 1jxf s GLU 28 N -5.58 2.19 -0.05 4.30 8.01 -1.26 -0.78 118.70 125.53 1jxf s GLU 28 Ca 0.70 -2.18 -0.06 0.00 0.01 0.00 0.00 54.97 53.43 1jxf s GLU 28 Cb -0.09 -1.76 0.01 0.00 -4.31 0.00 0.00 34.13 27.99 1jxf s GLU 28 CO 0.54 -0.35 0.17 0.08 0.01 0.00 0.00 175.26 175.71 1jxf s VAL 29 N -2.79 0.02 0.20 2.63 1.01 -0.64 -2.92 120.40 117.91 1jxf s VAL 29 Ca 0.22 -0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.12 1jxf s VAL 29 Cb 0.02 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1jxf s VAL 29 CO 0.12 -0.10 -0.11 -0.75 0.00 0.00 0.00 175.10 174.27 1jxf s LYS 30 N -0.29 2.00 -0.23 2.72 2.20 0.09 -1.61 119.74 124.61 1jxf s LYS 30 Ca -0.04 -1.35 -0.01 0.00 -0.36 0.00 0.00 55.97 54.22 1jxf s LYS 30 Cb -0.03 -2.10 0.07 0.00 -1.51 0.00 0.00 37.83 34.26 1jxf s LYS 30 CO 0.01 0.42 0.00 -1.58 -0.36 0.00 0.00 175.35 173.83 1jxf s TRP 31 N -1.81 1.87 0.03 4.03 0.51 -1.01 -1.56 118.94 121.00 1jxf s TRP 31 Ca 0.25 -1.48 -0.19 0.00 -2.12 0.00 0.00 56.10 52.56 1jxf s TRP 31 Cb -0.08 -1.45 -0.06 0.00 -0.81 0.00 0.00 33.47 31.07 1jxf s TRP 31 CO 0.15 -0.74 0.55 0.54 -0.51 0.00 0.00 176.95 176.95 1jxf s VAL 32 N 1.57 4.85 0.36 4.03 0.11 -1.07 -2.70 120.40 127.55 1jxf s VAL 32 Ca -0.01 1.17 0.07 0.00 -2.93 0.00 0.00 61.98 60.28 1jxf s VAL 32 Cb -0.18 -3.88 -0.02 0.00 -1.53 0.00 0.00 36.38 30.77 1jxf s VAL 32 CO -0.09 0.50 0.40 0.54 -3.33 0.00 0.00 175.10 173.12 1jxf s ASN 33 N -0.73 5.52 0.12 3.54 2.20 -1.26 -1.26 114.94 123.08 1jxf s ASN 33 Ca 0.29 -0.42 0.00 0.00 -0.94 0.00 0.00 52.86 51.78 1jxf s ASN 33 Cb -0.19 -0.95 0.00 0.00 -2.00 0.00 0.00 41.25 38.11 1jxf s ASN 33 CO 0.17 -0.48 0.00 0.59 -2.94 0.00 0.00 177.10 174.44 1jxf n ASN 34 N -1.55 -0.55 -2.98 3.54 4.13 -1.26 -4.81 115.26 111.79 1jxf n ASN 34 Ca 0.01 0.22 -0.16 0.00 1.68 0.00 0.00 54.58 56.33 1jxf n ASN 34 Cb 0.59 0.68 -0.05 0.00 -1.54 0.00 0.00 39.78 39.47 1jxf n ASN 34 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1jxf n LYS 35 N -2.83 0.56 -2.94 3.52 4.76 -1.26 -4.94 118.16 115.02 1jxf n LYS 35 Ca 0.00 -2.84 -0.11 0.00 -2.87 0.00 0.00 58.31 52.48 1jxf n LYS 35 Cb 0.00 2.57 0.05 0.00 -1.84 0.00 0.00 35.03 35.81 1jxf n LYS 35 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1jxf n LEU 36 N 0.00 -3.18 -4.97 -0.35 7.99 -1.26 -4.74 117.00 110.50 1jxf n LEU 36 Ca 0.03 -0.37 -0.22 0.00 -0.01 0.00 0.00 56.01 55.44 1jxf n LEU 36 Cb 0.56 -2.11 0.00 0.00 -0.11 0.00 0.00 43.42 41.77 1jxf n LEU 36 CO 0.28 0.27 0.19 -0.44 -1.51 0.00 0.00 177.39 176.19 1jxf s SER 37 N -3.70 5.91 0.68 -1.43 0.01 -1.26 -4.34 113.70 109.56 1jxf s SER 37 Ca 0.08 0.12 -0.12 0.00 1.31 0.00 0.00 55.95 57.34 1jxf s SER 37 Cb -0.03 -1.46 -0.00 0.00 0.21 0.00 0.00 66.02 64.74 1jxf s SER 37 CO 0.45 -0.58 1.06 -2.16 0.41 0.00 0.00 173.24 172.42 1jxf s PRO 38 N -4.40 3.02 -0.33 12.44 0.04 -1.26 -5.15 135.00 139.36 1jxf s PRO 38 Ca 0.46 0.99 0.02 0.00 0.04 0.00 0.00 61.00 62.51 1jxf s PRO 38 Cb -0.10 -2.00 0.10 0.00 0.04 0.00 0.00 34.50 32.54 1jxf s PRO 38 CO 0.35 -1.03 0.08 -1.01 0.04 0.00 0.00 177.00 175.43 1jxf s HIS 39 N -2.95 2.82 0.62 0.56 3.76 -1.26 -4.92 115.29 113.92 1jxf s HIS 39 Ca 0.59 -2.44 -0.01 0.00 -0.15 0.00 0.00 55.06 53.04 1jxf s HIS 39 Cb -0.14 -2.37 0.06 0.00 1.11 0.00 0.00 32.58 31.23 1jxf s HIS 39 CO 0.52 -0.91 0.88 -0.80 -0.85 0.00 0.00 174.74 173.57 1jxf s ASN 40 N 1.18 4.99 -0.29 1.40 -0.87 -1.26 -4.69 114.94 115.41 1jxf s ASN 40 Ca 0.11 0.06 -0.04 0.00 -1.57 0.00 0.00 52.86 51.43 1jxf s ASN 40 Cb -0.18 -0.80 0.10 0.00 -0.02 0.00 0.00 41.25 40.35 1jxf s ASN 40 CO -0.15 -1.39 0.14 -0.63 -2.57 0.00 0.00 177.10 172.50 1jxf s ILE 41 N -2.96 -0.07 -0.34 0.60 1.01 -1.26 -4.29 121.20 113.89 1jxf s ILE 41 Ca 0.60 -0.81 -0.02 0.00 0.00 0.00 0.00 60.65 60.41 1jxf s ILE 41 Cb -0.10 -0.99 0.07 0.00 0.01 0.00 0.00 42.46 41.46 1jxf s ILE 41 CO 0.41 -0.74 0.08 0.68 0.00 0.00 0.00 174.94 175.38 1jxf s VAL 42 N 2.04 3.12 -0.58 2.92 -7.23 -1.22 0.31 120.40 119.77 1jxf s VAL 42 Ca 0.10 -1.65 -0.28 0.00 -1.81 0.00 0.00 61.98 58.34 1jxf s VAL 42 Cb -0.16 -2.94 0.02 0.00 0.56 0.00 0.00 36.38 33.85 1jxf s VAL 42 CO -0.34 -0.34 1.37 -0.36 -0.31 0.00 0.00 175.10 175.11 1jxf s PHE 43 N 1.21 2.34 -0.50 2.82 0.08 -1.26 -3.83 117.98 118.84 1jxf s PHE 43 Ca 0.01 0.43 -0.27 0.00 0.12 0.00 0.00 56.93 57.21 1jxf s PHE 43 Cb -0.21 -4.43 0.03 0.00 -0.57 0.00 0.00 43.02 37.84 1jxf s PHE 43 CO -0.02 -1.91 1.06 0.00 -0.10 0.00 0.00 175.22 174.24 1jxf s ALA 44 N 5.85 3.15 -1.00 5.36 0.00 -0.62 -4.65 121.76 129.85 1jxf s ALA 44 Ca 0.49 -0.74 -0.24 0.00 0.00 0.00 0.00 51.96 51.47 1jxf s ALA 44 Cb -0.10 -3.82 -0.26 0.00 0.00 0.00 0.00 23.12 18.94 1jxf s ALA 44 CO 0.24 -2.29 2.53 0.00 0.00 0.00 0.00 175.76 176.24 1jxf n ALA 45 N 7.70 0.55 -3.12 0.00 0.00 -1.26 -4.32 120.51 120.06 1jxf n ALA 45 Ca 0.08 -0.45 -0.25 0.00 0.00 0.00 0.00 53.44 52.82 1jxf n ALA 45 Cb 0.49 -2.31 -0.05 0.00 0.00 0.00 0.00 19.45 17.57 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 8.98 3.44 0.00 0.00 9.92 -1.26 -4.74 116.55 132.89 1jxf n ASP 46 Ca 0.67 -3.45 0.00 0.00 -0.53 0.00 0.00 54.79 51.48 1jxf n ASP 46 Cb 0.07 -0.60 0.00 0.00 -0.64 0.00 0.00 41.12 39.94 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 0.25 1.38 4.00 0.44 0.00 -1.26 -4.77 105.19 105.22 1jxf n GLY 47 Ca 0.29 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.10 1jxf n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jxf s VAL 48 N -1.15 2.14 0.31 1.61 0.11 -1.26 -4.73 120.40 117.44 1jxf s VAL 48 Ca 0.00 -1.13 -0.28 0.00 -2.93 0.00 0.00 61.98 57.64 1jxf s VAL 48 Cb 0.00 -2.27 -0.09 0.00 -1.53 0.00 0.00 36.38 32.49 1jxf s VAL 48 CO 0.00 0.00 1.08 -1.81 -3.33 0.00 0.00 175.10 171.04 1jxf s ASP 49 N -4.52 7.15 0.22 3.54 1.01 -1.26 -4.83 116.67 117.97 1jxf s ASP 49 Ca 0.54 2.21 -0.09 0.00 0.71 0.00 0.00 52.55 55.93 1jxf s ASP 49 Cb -0.05 -2.62 0.17 0.00 1.01 0.00 0.00 42.92 41.43 1jxf s ASP 49 CO 0.34 -0.22 1.86 0.00 0.21 0.00 0.00 175.17 177.35 1jxf h ALA 50 N 3.52 1.03 0.90 5.23 0.00 -1.96 0.32 119.26 128.31 1jxf h ALA 50 Ca -0.47 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 1jxf h ALA 50 Cb 1.21 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1jxf h ALA 50 CO 0.66 0.50 -0.43 -0.44 0.00 0.00 0.00 179.25 179.54 1jxf h ASP 51 N 1.11 -1.03 -0.88 0.00 3.32 -1.98 1.29 116.42 118.26 1jxf h ASP 51 Ca 0.29 0.04 0.17 0.00 0.02 0.00 0.00 57.03 57.54 1jxf h ASP 51 Cb -0.03 0.27 -0.07 0.00 0.22 0.00 0.00 39.33 39.72 1jxf h ASP 51 CO -0.05 -0.68 0.57 0.00 -1.72 0.00 0.00 179.24 177.36 1jxf h THR 52 N -1.32 0.77 0.00 0.35 1.03 -1.92 0.79 112.91 112.61 1jxf h THR 52 Ca -0.12 -0.19 -0.02 0.00 -0.01 0.00 0.00 66.41 66.06 1jxf h THR 52 Cb 0.93 0.16 -0.00 0.00 -1.07 0.00 0.00 68.15 68.17 1jxf h THR 52 CO 0.20 0.10 -0.10 0.00 -0.01 0.00 0.00 175.52 175.72 1jxf h ALA 53 N 1.61 0.94 -0.97 0.00 0.00 -0.06 -2.78 119.26 118.01 1jxf h ALA 53 Ca 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1jxf h ALA 53 Cb 0.90 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1jxf h ALA 53 CO -0.20 0.12 0.60 0.00 0.00 0.00 0.00 179.25 179.78 1jxf h ALA 54 N 1.90 1.25 0.02 0.00 0.00 0.86 0.59 119.26 123.87 1jxf h ALA 54 Ca -0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1jxf h ALA 54 Cb 1.06 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1jxf h ALA 54 CO 0.01 0.66 -0.01 -0.22 0.00 0.00 0.00 179.25 179.70 1jxf h LYS 55 N 1.32 -0.02 -1.01 0.00 3.64 -1.46 -3.28 116.57 115.75 1jxf h LYS 55 Ca 0.35 0.00 0.26 0.00 -1.27 0.00 0.00 60.65 59.99 1jxf h LYS 55 Cb -0.09 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.66 1jxf h LYS 55 CO -0.07 0.42 0.68 -0.07 -2.27 0.00 0.00 179.45 178.14 1jxf h LEU 56 N -0.99 0.31 -9.82 5.20 3.38 -1.43 -3.39 115.31 108.56 1jxf h LEU 56 Ca -0.00 0.05 -0.49 0.00 0.09 0.00 0.00 57.88 57.53 1jxf h LEU 56 Cb 0.45 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1jxf h LEU 56 CO 0.00 0.08 0.38 -0.94 0.09 0.00 0.00 178.44 178.05 1jxf s SER 57 N -5.38 7.39 0.57 -0.43 1.04 0.20 -4.71 113.70 112.39 1jxf s SER 57 Ca -0.08 1.98 0.06 0.00 0.48 0.00 0.00 55.95 58.40 1jxf s SER 57 Cb 0.24 -2.60 0.06 0.00 0.10 0.00 0.00 66.02 63.81 1jxf s SER 57 CO 0.79 -0.03 0.49 -1.00 0.98 0.00 0.00 173.24 174.47 1jxf s HIS 58 N -1.36 1.45 -0.05 5.02 3.76 0.15 -4.84 115.29 119.41 1jxf s HIS 58 Ca 0.46 -0.86 0.02 0.00 -0.15 0.00 0.00 55.06 54.53 1jxf s HIS 58 Cb -0.24 -1.95 0.06 0.00 1.11 0.00 0.00 32.58 31.56 1jxf s HIS 58 CO 0.31 -0.67 0.56 1.63 -0.85 0.00 0.00 174.74 175.72 1jxf n LYS 59 N -1.90 0.20 0.00 1.40 4.76 -1.26 -4.27 118.16 117.09 1jxf n LYS 59 Ca 0.01 -0.36 0.00 0.00 -2.87 0.00 0.00 58.31 55.09 1jxf n LYS 59 Cb 0.64 0.34 0.00 0.00 -1.84 0.00 0.00 35.03 34.17 1jxf n LYS 59 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jxf n GLY 60 N -0.23 0.48 3.56 0.72 0.00 -1.26 -5.12 105.19 103.35 1jxf n GLY 60 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 1jxf n GLY 60 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jxf s LEU 61 N 0.00 -0.24 -0.17 0.99 2.96 -1.26 -4.99 118.68 115.97 1jxf s LEU 61 Ca 0.00 0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 53.93 1jxf s LEU 61 Cb 0.00 1.65 0.06 0.00 0.50 0.00 0.00 46.19 48.40 1jxf s LEU 61 CO 0.00 -0.37 0.07 0.00 -1.32 0.00 0.00 176.35 174.73 1jxf s ALA 62 N -2.36 0.59 -0.22 5.97 0.00 -1.26 -4.99 121.76 119.48 1jxf s ALA 62 Ca 0.06 -0.39 0.21 0.00 0.00 0.00 0.00 51.96 51.84 1jxf s ALA 62 Cb -0.01 -1.04 0.49 0.00 0.00 0.00 0.00 23.12 22.56 1jxf s ALA 62 CO -0.05 -1.11 1.13 1.19 0.00 0.00 0.00 175.76 176.92 1jxf n PHE 63 N 5.21 1.26 -3.61 0.00 3.01 -1.26 -4.42 117.46 117.64 1jxf n PHE 63 Ca -0.07 -1.89 -0.16 0.00 1.01 0.00 0.00 57.45 56.34 1jxf n PHE 63 Cb 0.49 -0.24 -0.14 0.00 -0.01 0.00 0.00 39.48 39.58 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 -3.19 -0.35 -0.58 4.37 0.00 -1.26 -5.08 121.76 115.66 1jxf s ALA 64 Ca 0.32 0.62 -0.28 0.00 0.00 0.00 0.00 51.96 52.62 1jxf s ALA 64 Cb 0.35 -1.04 -0.11 0.00 0.00 0.00 0.00 23.12 22.32 1jxf s ALA 64 CO -0.05 -0.78 2.46 0.00 0.00 0.00 0.00 175.76 177.39 1jxf n ALA 65 N 5.33 0.74 0.00 0.00 0.00 -1.26 -1.90 120.51 123.42 1jxf n ALA 65 Ca -0.05 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1jxf n ALA 65 Cb 0.50 -2.93 0.00 0.00 0.00 0.00 0.00 19.45 17.02 1jxf n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jxf n GLY 66 N 6.15 1.05 3.04 0.00 0.00 -1.26 -5.11 105.19 109.06 1jxf n GLY 66 Ca 0.44 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.14 1jxf n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jxf s GLU 67 N -0.01 1.69 -0.07 1.61 0.41 -0.80 -5.07 118.70 116.46 1jxf s GLU 67 Ca 0.00 -1.75 0.01 0.00 -0.41 0.00 0.00 54.97 52.83 1jxf s GLU 67 Cb 0.00 -3.15 -0.03 0.00 -1.78 0.00 0.00 34.13 29.18 1jxf s GLU 67 CO 0.00 -0.85 -0.09 -1.54 -0.49 0.00 0.00 175.26 172.28 1jxf s SER 68 N 0.98 4.42 0.77 -0.19 1.04 -1.26 -4.31 113.70 115.15 1jxf s SER 68 Ca 0.06 -0.11 -0.04 0.00 0.48 0.00 0.00 55.95 56.35 1jxf s SER 68 Cb -0.19 -1.16 0.14 0.00 0.10 0.00 0.00 66.02 64.91 1jxf s SER 68 CO -0.07 0.33 1.06 -0.36 0.98 0.00 0.00 173.24 175.17 1jxf s PHE 69 N -0.60 1.56 0.02 5.02 0.08 -1.10 -4.82 117.98 118.15 1jxf s PHE 69 Ca 0.09 -0.17 -0.02 0.00 0.12 0.00 0.00 56.93 56.94 1jxf s PHE 69 Cb -0.12 -3.20 -0.02 0.00 -0.57 0.00 0.00 43.02 39.11 1jxf s PHE 69 CO 0.02 -1.90 0.02 0.99 -0.10 0.00 0.00 175.22 174.24 1jxf s THR 70 N -3.29 0.12 -0.04 0.64 2.01 -1.26 -2.39 115.64 111.43 1jxf s THR 70 Ca 0.68 -0.98 -0.07 0.00 0.31 0.00 0.00 61.69 61.63 1jxf s THR 70 Cb -0.05 -0.49 0.01 0.00 0.01 0.00 0.00 72.50 71.98 1jxf s THR 70 CO 0.46 -0.54 0.17 -0.55 -0.69 0.00 0.00 174.62 173.47 1jxf s SER 71 N -1.67 -0.11 -0.35 3.53 0.15 -0.64 -4.97 113.70 109.63 1jxf s SER 71 Ca -0.12 0.16 -0.18 0.00 0.70 0.00 0.00 55.95 56.51 1jxf s SER 71 Cb -0.07 0.31 -0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1jxf s SER 71 CO -0.02 -0.18 0.50 -0.89 1.20 0.00 0.00 173.24 173.85 1jxf s THR 72 N -0.45 5.03 -0.77 6.45 2.01 -1.26 -1.62 115.64 125.03 1jxf s THR 72 Ca -0.05 0.29 -0.03 0.00 0.31 0.00 0.00 61.69 62.21 1jxf s THR 72 Cb -0.04 -3.95 0.26 0.00 0.01 0.00 0.00 72.50 68.79 1jxf s THR 72 CO 0.01 -0.21 2.23 0.49 -0.69 0.00 0.00 174.62 176.44 1jxf n PHE 73 N 5.70 2.58 0.00 4.92 3.01 0.04 -4.69 117.46 129.03 1jxf n PHE 73 Ca -0.05 -2.25 0.00 0.00 1.01 0.00 0.00 57.45 56.16 1jxf n PHE 73 Cb 0.49 -1.26 0.00 0.00 -0.01 0.00 0.00 39.48 38.70 1jxf n PHE 73 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1jxf n THR 74 N -0.06 0.00 -1.72 4.37 -1.04 -1.26 -0.62 114.28 113.95 1jxf n THR 74 Ca 0.52 0.86 -0.42 0.00 -2.04 0.00 0.00 64.05 62.97 1jxf n THR 74 Cb 0.32 -1.84 -0.03 0.00 -1.82 0.00 0.00 70.33 66.96 1jxf n THR 74 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1jxf s GLU 75 N -1.70 4.14 -0.19 -2.82 2.12 -1.26 -3.64 118.70 115.34 1jxf s GLU 75 Ca 0.00 2.58 -0.29 0.00 0.36 0.00 0.00 54.97 57.62 1jxf s GLU 75 Cb 0.00 -3.75 -0.01 0.00 0.26 0.00 0.00 34.13 30.63 1jxf s GLU 75 CO 0.00 -0.87 1.29 -1.25 -0.54 0.00 0.00 175.26 173.90 1jxf s PRO 76 N 3.21 4.15 0.00 4.30 0.04 -1.26 -4.88 135.00 140.55 1jxf s PRO 76 Ca 0.82 1.58 0.00 0.00 0.04 0.00 0.00 61.00 63.45 1jxf s PRO 76 Cb -0.45 -3.81 0.00 0.00 0.04 0.00 0.00 34.50 30.29 1jxf s PRO 76 CO 0.37 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 177.00 1jxf n GLY 77 N 3.82 2.35 2.60 0.56 0.00 -1.25 -4.99 105.19 108.28 1jxf n GLY 77 Ca 0.14 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.88 0.17 -0.17 2.61 2.01 -1.26 -2.36 115.64 115.77 1jxf s THR 78 Ca 0.00 -0.84 -0.11 0.00 0.31 0.00 0.00 61.69 61.05 1jxf s THR 78 Cb 0.00 -1.10 -0.05 0.00 0.01 0.00 0.00 72.50 71.36 1jxf s THR 78 CO 0.00 -0.65 0.19 -0.31 -0.69 0.00 0.00 174.62 173.16 1jxf s TYR 79 N 1.98 3.47 -0.26 4.92 2.02 -1.14 -3.98 117.35 124.36 1jxf s TYR 79 Ca 0.08 0.47 -0.06 0.00 -0.37 0.00 0.00 57.07 57.19 1jxf s TYR 79 Cb -0.16 -2.19 -0.01 0.00 -0.40 0.00 0.00 41.96 39.20 1jxf s TYR 79 CO -0.30 0.35 0.03 0.99 -1.57 0.00 0.00 175.55 175.05 1jxf s THR 80 N 0.14 3.80 -0.02 -0.71 2.01 -1.26 0.01 115.64 119.60 1jxf s THR 80 Ca 0.12 -0.51 0.05 0.00 0.31 0.00 0.00 61.69 61.66 1jxf s THR 80 Cb -0.12 -2.84 -0.03 0.00 0.01 0.00 0.00 72.50 69.52 1jxf s THR 80 CO 0.01 0.26 -0.16 -0.72 -0.69 0.00 0.00 174.62 173.33 1jxf s TYR 81 N 1.51 2.65 0.35 4.92 1.13 -1.23 -1.58 117.35 125.10 1jxf s TYR 81 Ca 0.04 -0.20 0.03 0.00 -1.41 0.00 0.00 57.07 55.54 1jxf s TYR 81 Cb -0.16 -1.58 -0.01 0.00 -1.10 0.00 0.00 41.96 39.11 1jxf s TYR 81 CO 0.01 0.19 0.39 1.52 -2.51 0.00 0.00 175.55 175.15 1jxf s TYR 82 N -0.78 1.46 -0.17 -3.49 -0.85 -1.25 -1.19 117.35 111.09 1jxf s TYR 82 Ca 0.12 -1.52 -0.21 0.00 -0.52 0.00 0.00 57.07 54.95 1jxf s TYR 82 Cb -0.11 -0.40 -0.03 0.00 0.38 0.00 0.00 41.96 41.81 1jxf s TYR 82 CO 0.02 -1.04 0.63 0.00 -1.52 0.00 0.00 175.55 173.64 1jxf h GLU 84 N 7.31 -0.05 -0.00 0.00 5.08 -1.94 0.56 114.58 125.53 1jxf h GLU 84 Ca -0.33 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.87 1jxf h GLU 84 Cb 1.15 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 1jxf h GLU 84 CO 0.77 -0.03 -0.76 -1.00 -1.00 0.00 0.00 179.01 176.99 1jxf h PRO 85 N -0.05 0.03 -2.32 2.33 0.13 -1.92 -3.33 132.00 126.86 1jxf h PRO 85 Ca 0.33 -0.03 -0.64 0.00 -0.87 0.00 0.00 66.00 64.80 1jxf h PRO 85 Cb 0.59 0.01 -0.39 0.00 0.13 0.00 0.00 31.00 31.33 1jxf h PRO 85 CO -0.85 0.77 -0.34 0.72 -0.23 0.00 0.00 178.00 178.07 1jxf n HIS 86 N -3.66 3.47 -0.13 1.56 8.25 0.15 -4.79 115.22 120.07 1jxf n HIS 86 Ca -0.01 -3.85 -0.27 0.00 -0.26 0.00 0.00 57.72 53.33 1jxf n HIS 86 Cb 0.73 -0.68 -0.10 0.00 1.12 0.00 0.00 29.99 31.06 1jxf n HIS 86 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1jxf n ARG 87 N 0.75 0.58 -2.12 -0.41 0.00 0.14 -2.42 116.66 113.18 1jxf n ARG 87 Ca 0.30 0.38 -0.32 0.00 -0.00 0.00 0.00 57.85 58.20 1jxf n ARG 87 Cb 0.39 -1.58 0.02 0.00 0.00 0.00 0.00 32.46 31.29 1jxf n ARG 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jxf n GLY 88 N 1.32 5.85 0.05 5.14 0.00 -1.26 -4.50 105.19 111.79 1jxf n GLY 88 Ca -0.46 -2.61 -0.06 0.00 0.00 0.00 0.00 46.02 42.88 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 -0.56 1.77 0.00 4.61 0.00 -1.26 -5.03 120.51 120.04 1jxf n ALA 89 Ca 0.47 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1jxf n ALA 89 Cb 0.53 0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.17 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 2.83 1.26 3.54 0.00 0.00 -1.26 -5.09 105.19 106.48 1jxf n GLY 90 Ca -0.18 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 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 3.24 0.05 1.61 -2.45 -1.26 -4.96 119.30 115.53 1jxf s MET 91 Ca 0.00 -0.22 -0.07 0.00 -1.25 0.00 0.00 55.69 54.15 1jxf s MET 91 Cb 0.00 -4.15 -0.01 0.00 1.25 0.00 0.00 34.83 31.92 1jxf s MET 91 CO 0.00 -2.02 0.14 0.08 1.05 0.00 0.00 175.02 174.27 1jxf s VAL 92 N 5.40 0.13 0.43 10.11 1.01 -1.26 -4.25 120.40 131.98 1jxf s VAL 92 Ca 0.35 -1.11 0.06 0.00 0.00 0.00 0.00 61.98 61.28 1jxf s VAL 92 Cb -0.09 -1.07 -0.06 0.00 0.00 0.00 0.00 36.38 35.16 1jxf s VAL 92 CO 0.16 -0.61 0.06 -0.83 0.00 0.00 0.00 175.10 173.89 1jxf s GLY 93 N -2.37 2.55 -0.05 4.51 0.00 -0.33 -4.73 107.32 106.89 1jxf s GLY 93 Ca -0.01 -1.92 -0.02 0.00 0.00 0.00 0.00 44.72 42.77 1jxf s GLY 93 CO -0.07 -2.07 0.10 1.25 0.00 0.00 0.00 173.10 172.32 1jxf s LYS 94 N -3.80 0.03 -0.00 2.90 2.20 0.39 -3.52 119.74 117.93 1jxf s LYS 94 Ca 0.32 0.31 0.00 0.00 -0.36 0.00 0.00 55.97 56.25 1jxf s LYS 94 Cb 0.07 -0.23 -0.04 0.00 -1.51 0.00 0.00 37.83 36.12 1jxf s LYS 94 CO 0.17 -0.18 0.04 0.08 -0.36 0.00 0.00 175.35 175.10 1jxf s VAL 95 N 1.25 4.45 -0.28 4.02 1.01 0.10 -3.20 120.40 127.76 1jxf s VAL 95 Ca -0.08 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 1jxf s VAL 95 Cb -0.12 -3.01 0.11 0.00 0.00 0.00 0.00 36.38 33.36 1jxf s VAL 95 CO -0.05 0.36 0.19 -0.69 0.00 0.00 0.00 175.10 174.92 1jxf s VAL 96 N -1.14 -0.20 0.08 2.92 1.01 -0.95 -2.90 120.40 119.23 1jxf s VAL 96 Ca 0.21 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 1jxf s VAL 96 Cb -0.12 -0.95 -0.06 0.00 0.00 0.00 0.00 36.38 35.26 1jxf s VAL 96 CO 0.12 -0.59 0.40 -0.69 0.00 0.00 0.00 175.10 174.34 1jxf s VAL 97 N 2.20 5.09 0.00 2.92 1.01 -1.00 -3.24 120.40 127.39 1jxf s VAL 97 Ca 0.09 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1jxf s VAL 97 Cb -0.15 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1jxf s VAL 97 CO -0.33 0.27 0.50 -0.67 0.00 0.00 0.00 175.10 174.87