#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 0.11 -0.37 0.00 2.20 -1.26 -4.72 114.94 110.89 1jxf s ASN 2 Ca 0.00 -1.10 -0.29 0.00 -0.94 0.00 0.00 52.86 50.54 1jxf s ASN 2 Cb 0.00 0.42 0.02 0.00 -2.00 0.00 0.00 41.25 39.69 1jxf s ASN 2 CO 0.00 -0.88 1.07 0.00 -2.94 0.00 0.00 177.10 174.35 1jxf s ALA 3 N -4.05 3.38 -0.01 3.54 0.00 -1.16 -4.87 121.76 118.59 1jxf s ALA 3 Ca 0.25 -0.24 -0.27 0.00 0.00 0.00 0.00 51.96 51.70 1jxf s ALA 3 Cb 0.05 -3.72 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 1jxf s ALA 3 CO 0.05 -1.74 0.85 0.99 0.00 0.00 0.00 175.76 175.91 1jxf s THR 4 N 3.88 4.89 -0.23 0.00 2.01 -1.26 -1.93 115.64 123.00 1jxf s THR 4 Ca 0.45 1.79 -0.03 0.00 0.31 0.00 0.00 61.69 64.21 1jxf s THR 4 Cb -0.11 -4.20 0.10 0.00 0.01 0.00 0.00 72.50 68.31 1jxf s THR 4 CO 0.21 0.23 0.22 -0.69 -0.69 0.00 0.00 174.62 173.90 1jxf s VAL 5 N 0.74 -0.31 0.22 3.82 1.01 -0.84 -4.34 120.40 120.70 1jxf s VAL 5 Ca 0.45 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 1jxf s VAL 5 Cb -0.20 -0.78 -0.08 0.00 0.00 0.00 0.00 36.38 35.32 1jxf s VAL 5 CO 0.24 -0.32 1.00 -1.59 0.00 0.00 0.00 175.10 174.42 1jxf s LYS 6 N 2.30 4.75 -0.34 2.72 -2.85 -1.12 -2.84 119.74 122.37 1jxf s LYS 6 Ca 0.08 1.58 -0.02 0.00 -1.00 0.00 0.00 55.97 56.60 1jxf s LYS 6 Cb -0.15 -3.28 0.15 0.00 -2.06 0.00 0.00 37.83 32.49 1jxf s LYS 6 CO -0.19 0.34 2.30 0.00 0.10 0.00 0.00 175.35 177.90 1jxf n MET 7 N 1.79 1.97 0.00 1.78 0.00 -0.45 -3.47 117.12 118.73 1jxf n MET 7 Ca -0.00 -1.74 0.00 0.00 0.00 0.00 0.00 57.70 55.95 1jxf n MET 7 Cb 0.47 -1.77 0.00 0.00 0.00 0.00 0.00 33.22 31.92 1jxf n MET 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jxf n GLY 8 N 0.60 -0.75 3.50 3.17 0.00 -1.04 -4.72 105.19 105.96 1jxf n GLY 8 Ca 0.35 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 1jxf n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jxf s SER 9 N -4.00 -0.62 -1.27 1.61 0.01 -0.97 -4.15 113.70 104.32 1jxf s SER 9 Ca 0.00 1.14 -0.14 0.00 1.31 0.00 0.00 55.95 58.25 1jxf s SER 9 Cb 0.00 1.14 -0.04 0.00 0.21 0.00 0.00 66.02 67.33 1jxf s SER 9 CO 0.00 -0.26 2.29 -0.67 0.41 0.00 0.00 173.24 175.01 1jxf n ASP 10 N 2.51 4.62 0.00 2.44 2.03 -1.26 -3.93 116.55 122.97 1jxf n ASP 10 Ca -0.15 -2.69 0.00 0.00 0.52 0.00 0.00 54.79 52.47 1jxf n ASP 10 Cb 0.56 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 1jxf n ASP 10 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1jxf n SER 11 N 5.72 0.00 0.00 1.67 7.64 -1.26 -5.06 113.62 122.34 1jxf n SER 11 Ca 0.56 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.44 1jxf n SER 11 Cb 0.33 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 1jxf n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jxf n GLY 12 N -0.96 0.00 3.05 0.23 0.00 -1.25 -5.10 105.19 101.15 1jxf n GLY 12 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.41 -0.59 4.61 0.00 -1.26 -5.09 121.76 119.01 1jxf s ALA 13 Ca 0.00 0.43 -0.17 0.00 0.00 0.00 0.00 51.96 52.22 1jxf s ALA 13 Cb 0.00 -0.25 0.13 0.00 0.00 0.00 0.00 23.12 23.00 1jxf s ALA 13 CO 0.00 -0.09 0.62 -0.48 0.00 0.00 0.00 175.76 175.81 1jxf s LEU 14 N -0.02 5.87 -0.01 0.00 2.34 -1.26 -2.28 118.68 123.33 1jxf s LEU 14 Ca -0.01 -1.72 -0.09 0.00 0.06 0.00 0.00 54.13 52.37 1jxf s LEU 14 Cb -0.02 -2.25 0.01 0.00 -0.56 0.00 0.00 46.19 43.37 1jxf s LEU 14 CO 0.00 -0.95 0.19 0.68 -1.06 0.00 0.00 176.35 175.21 1jxf s VAL 15 N 1.98 0.07 -0.25 1.48 -7.23 -1.26 -4.52 120.40 110.67 1jxf s VAL 15 Ca 0.08 -0.60 -0.22 0.00 -1.81 0.00 0.00 61.98 59.44 1jxf s VAL 15 Cb -0.25 -0.48 -0.01 0.00 0.56 0.00 0.00 36.38 36.19 1jxf s VAL 15 CO 0.03 -0.33 0.69 -0.36 -0.31 0.00 0.00 175.10 174.82 1jxf s PHE 16 N -1.31 3.29 -0.10 2.82 0.08 -1.26 -2.49 117.98 119.01 1jxf s PHE 16 Ca -0.14 0.92 -0.03 0.00 0.12 0.00 0.00 56.93 57.80 1jxf s PHE 16 Cb -0.07 -2.91 0.05 0.00 -0.57 0.00 0.00 43.02 39.53 1jxf s PHE 16 CO 0.02 -0.35 0.12 -2.00 -0.10 0.00 0.00 175.22 172.92 1jxf s GLU 17 N 2.61 0.02 0.24 0.44 2.12 -1.23 -0.45 118.70 122.46 1jxf s GLU 17 Ca 0.29 0.36 -0.30 0.00 0.36 0.00 0.00 54.97 55.69 1jxf s GLU 17 Cb -0.15 -0.70 -0.09 0.00 0.26 0.00 0.00 34.13 33.45 1jxf s GLU 17 CO 0.08 -0.41 1.10 -1.25 -0.54 0.00 0.00 175.26 174.24 1jxf s PRO 18 N 2.23 4.63 0.38 4.30 0.04 -1.26 -2.78 135.00 142.55 1jxf s PRO 18 Ca 0.04 1.76 0.10 0.00 0.04 0.00 0.00 61.00 62.95 1jxf s PRO 18 Cb -0.13 -3.22 0.76 0.00 0.04 0.00 0.00 34.50 31.95 1jxf s PRO 18 CO -0.06 0.17 1.89 0.66 0.04 0.00 0.00 177.00 179.70 1jxf h SER 19 N 4.30 0.16 -3.28 6.66 4.64 -1.10 -3.41 113.55 121.53 1jxf h SER 19 Ca -0.46 -0.04 -0.52 0.00 -0.47 0.00 0.00 61.79 60.31 1jxf h SER 19 Cb 1.21 -0.04 -0.36 0.00 -0.31 0.00 0.00 62.40 62.90 1jxf h SER 19 CO 0.69 0.39 -0.80 -0.89 -0.87 0.00 0.00 176.83 175.34 1jxf s THR 20 N -4.56 1.03 0.15 2.95 2.01 -1.26 -2.15 115.64 113.81 1jxf s THR 20 Ca -0.05 -0.34 0.07 0.00 0.31 0.00 0.00 61.69 61.69 1jxf s THR 20 Cb 0.15 -1.01 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 1jxf s THR 20 CO 0.73 0.35 -0.16 0.68 -0.69 0.00 0.00 174.62 175.54 1jxf s VAL 21 N 1.32 1.58 -0.28 3.82 -7.23 -1.25 -5.06 120.40 113.28 1jxf s VAL 21 Ca -0.02 -1.89 -0.04 0.00 -1.81 0.00 0.00 61.98 58.22 1jxf s VAL 21 Cb -0.14 -1.75 0.10 0.00 0.56 0.00 0.00 36.38 35.15 1jxf s VAL 21 CO -0.04 -0.42 0.12 -0.89 -0.31 0.00 0.00 175.10 173.57 1jxf s THR 22 N -2.28 0.09 0.51 5.32 2.01 -1.26 -2.32 115.64 117.71 1jxf s THR 22 Ca 0.14 -0.82 0.05 0.00 0.31 0.00 0.00 61.69 61.37 1jxf s THR 22 Cb -0.04 -1.07 0.05 0.00 0.01 0.00 0.00 72.50 71.45 1jxf s THR 22 CO 0.05 -0.69 0.44 2.30 -0.69 0.00 0.00 174.62 176.03 1jxf n ILE 23 N 5.19 0.00 -1.46 1.82 -6.64 -1.20 -5.00 119.36 112.06 1jxf n ILE 23 Ca -0.05 -1.95 -0.30 0.00 -1.77 0.00 0.00 62.75 58.67 1jxf n ILE 23 Cb 0.42 -0.15 0.21 0.00 -1.44 0.00 0.00 39.64 38.69 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 -4.12 -0.36 -0.78 6.28 -0.14 -1.26 -2.30 119.74 117.06 1jxf s LYS 24 Ca 0.33 -0.21 -0.14 0.00 -1.36 0.00 0.00 55.97 54.59 1jxf s LYS 24 Cb -0.03 -1.71 0.20 0.00 -1.68 0.00 0.00 37.83 34.62 1jxf s LYS 24 CO 0.21 -3.11 0.72 0.00 -0.76 0.00 0.00 175.35 172.40 1jxf s ALA 25 N -3.40 4.00 0.00 5.17 0.00 -1.26 -3.98 121.76 122.29 1jxf s ALA 25 Ca 0.72 -3.19 0.00 0.00 0.00 0.00 0.00 51.96 49.49 1jxf s ALA 25 Cb -0.07 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1jxf s ALA 25 CO 0.55 -2.23 0.00 0.41 0.00 0.00 0.00 175.76 174.49 1jxf n GLY 26 N 4.17 0.64 3.79 0.00 0.00 0.15 -4.82 105.19 109.12 1jxf n GLY 26 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 0.40 0.09 1.61 2.56 -1.26 -4.68 118.70 117.43 1jxf s GLU 27 Ca 0.00 -0.03 0.10 0.00 0.00 0.00 0.00 54.97 55.04 1jxf s GLU 27 Cb 0.00 -1.78 -0.04 0.00 2.00 0.00 0.00 34.13 34.31 1jxf s GLU 27 CO 0.00 -2.63 -0.25 -2.00 -0.56 0.00 0.00 175.26 169.82 1jxf s GLU 28 N -5.52 1.66 -0.02 4.30 -6.30 -1.26 -1.22 118.70 110.33 1jxf s GLU 28 Ca 0.69 -1.21 0.06 0.00 -2.50 0.00 0.00 54.97 52.01 1jxf s GLU 28 Cb -0.10 -1.98 -0.02 0.00 0.00 0.00 0.00 34.13 32.02 1jxf s GLU 28 CO 0.54 0.48 -0.20 0.08 0.02 0.00 0.00 175.26 176.19 1jxf s VAL 29 N -0.97 2.61 0.20 3.70 1.01 0.01 -3.00 120.40 123.97 1jxf s VAL 29 Ca 0.14 -0.96 0.11 0.00 0.00 0.00 0.00 61.98 61.27 1jxf s VAL 29 Cb -0.10 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1jxf s VAL 29 CO 0.05 0.54 -0.23 -0.75 0.00 0.00 0.00 175.10 174.71 1jxf s LYS 30 N -0.81 1.54 0.38 2.72 2.20 -0.81 -0.91 119.74 124.04 1jxf s LYS 30 Ca 0.11 -1.56 0.08 0.00 -0.36 0.00 0.00 55.97 54.24 1jxf s LYS 30 Cb -0.10 -1.83 -0.07 0.00 -1.51 0.00 0.00 37.83 34.32 1jxf s LYS 30 CO 0.01 0.39 -0.02 -1.58 -0.36 0.00 0.00 175.35 173.78 1jxf s TRP 31 N -1.79 2.42 -0.09 4.03 0.51 -0.86 -2.00 118.94 121.17 1jxf s TRP 31 Ca 0.22 -0.64 -0.04 0.00 -2.12 0.00 0.00 56.10 53.52 1jxf s TRP 31 Cb -0.07 -1.60 0.04 0.00 -0.81 0.00 0.00 33.47 31.03 1jxf s TRP 31 CO 0.10 0.46 0.20 0.08 -0.51 0.00 0.00 176.95 177.28 1jxf s VAL 32 N -2.73 -0.06 -0.15 4.03 1.01 -1.13 -3.90 120.40 117.48 1jxf s VAL 32 Ca 0.34 0.17 -0.10 0.00 0.00 0.00 0.00 61.98 62.39 1jxf s VAL 32 Cb 0.07 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 36.08 1jxf s VAL 32 CO 0.17 0.07 0.19 0.21 0.00 0.00 0.00 175.10 175.74 1jxf s ASN 33 N 1.27 6.38 0.00 3.32 2.47 -0.64 -1.34 114.94 126.39 1jxf s ASN 33 Ca -0.09 0.44 0.00 0.00 0.42 0.00 0.00 52.86 53.63 1jxf s ASN 33 Cb -0.11 -2.12 0.00 0.00 -1.45 0.00 0.00 41.25 37.57 1jxf s ASN 33 CO -0.07 0.26 0.00 0.59 -3.72 0.00 0.00 177.10 174.15 1jxf n ASN 34 N 2.84 0.00 -4.24 -4.21 3.02 -1.26 -4.19 115.26 107.21 1jxf n ASN 34 Ca -0.16 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.18 1jxf n ASN 34 Cb 0.53 -0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.60 1jxf n ASN 34 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1jxf s LYS 35 N -0.63 1.62 -0.28 3.52 -0.14 -1.26 -4.92 119.74 117.65 1jxf s LYS 35 Ca 0.00 -1.92 -0.01 0.00 -1.36 0.00 0.00 55.97 52.68 1jxf s LYS 35 Cb 0.00 -0.47 0.00 0.00 -1.68 0.00 0.00 37.83 35.68 1jxf s LYS 35 CO 0.00 -0.34 0.28 1.28 -0.76 0.00 0.00 175.35 175.81 1jxf n LEU 36 N -0.64 -3.98 -4.38 3.17 4.77 -1.26 -4.81 117.00 109.86 1jxf n LEU 36 Ca -0.02 -0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.76 1jxf n LEU 36 Cb 0.66 -1.94 -0.10 0.00 -2.33 0.00 0.00 43.42 39.71 1jxf n LEU 36 CO 0.38 -0.51 -0.45 -0.44 -1.33 0.00 0.00 177.39 175.04 1jxf s SER 37 N -2.32 2.87 0.63 -1.43 0.01 -1.26 -4.07 113.70 108.13 1jxf s SER 37 Ca 0.01 -1.02 -0.14 0.00 1.31 0.00 0.00 55.95 56.11 1jxf s SER 37 Cb -0.00 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.02 1jxf s SER 37 CO 0.30 -0.11 1.05 -2.16 0.41 0.00 0.00 173.24 172.74 1jxf s PRO 38 N -3.60 3.20 -0.16 12.44 0.04 -1.26 -5.15 135.00 140.51 1jxf s PRO 38 Ca 0.25 1.07 -0.04 0.00 0.04 0.00 0.00 61.00 62.32 1jxf s PRO 38 Cb -0.02 -2.02 0.07 0.00 0.04 0.00 0.00 34.50 32.57 1jxf s PRO 38 CO 0.09 -0.90 0.14 -1.01 0.04 0.00 0.00 177.00 175.37 1jxf s HIS 39 N -2.73 -0.03 0.52 0.56 3.76 -1.26 -4.96 115.29 111.15 1jxf s HIS 39 Ca 0.61 0.04 0.05 0.00 -0.15 0.00 0.00 55.06 55.61 1jxf s HIS 39 Cb -0.15 -0.50 0.04 0.00 1.11 0.00 0.00 32.58 33.08 1jxf s HIS 39 CO 0.45 -0.48 0.73 0.54 -0.85 0.00 0.00 174.74 175.12 1jxf s ASN 40 N 2.23 5.29 -0.26 1.40 4.22 -1.26 -4.52 114.94 122.03 1jxf s ASN 40 Ca 0.04 -0.32 -0.02 0.00 -2.14 0.00 0.00 52.86 50.42 1jxf s ASN 40 Cb -0.15 -0.53 0.08 0.00 1.28 0.00 0.00 41.25 41.93 1jxf s ASN 40 CO -0.09 -1.11 0.08 -0.63 -2.04 0.00 0.00 177.10 173.31 1jxf s ILE 41 N -2.64 0.59 -0.23 0.54 1.01 -0.91 -4.53 121.20 115.04 1jxf s ILE 41 Ca 0.58 -0.95 -0.06 0.00 0.00 0.00 0.00 60.65 60.22 1jxf s ILE 41 Cb -0.09 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 1jxf s ILE 41 CO 0.37 -0.49 0.04 0.68 0.00 0.00 0.00 174.94 175.54 1jxf s VAL 42 N 1.79 4.18 -0.71 2.92 -7.23 -1.16 0.19 120.40 120.37 1jxf s VAL 42 Ca 0.05 -0.23 -0.18 0.00 -1.81 0.00 0.00 61.98 59.82 1jxf s VAL 42 Cb -0.17 -2.93 0.13 0.00 0.56 0.00 0.00 36.38 33.98 1jxf s VAL 42 CO -0.20 0.38 0.81 -0.36 -0.31 0.00 0.00 175.10 175.42 1jxf s PHE 43 N 1.32 3.17 -0.12 2.82 0.08 -1.26 -2.36 117.98 121.64 1jxf s PHE 43 Ca 0.05 -1.26 -0.29 0.00 0.12 0.00 0.00 56.93 55.54 1jxf s PHE 43 Cb -0.15 -4.04 -0.03 0.00 -0.57 0.00 0.00 43.02 38.24 1jxf s PHE 43 CO 0.02 -1.28 1.31 0.00 -0.10 0.00 0.00 175.22 175.17 1jxf s ALA 44 N 2.20 3.62 -0.60 5.36 0.00 -0.23 -4.68 121.76 127.43 1jxf s ALA 44 Ca 0.17 0.58 -0.27 0.00 0.00 0.00 0.00 51.96 52.45 1jxf s ALA 44 Cb -0.17 -3.61 -0.10 0.00 0.00 0.00 0.00 23.12 19.23 1jxf s ALA 44 CO -0.00 -1.10 2.48 0.00 0.00 0.00 0.00 175.76 177.13 1jxf n ALA 45 N 6.30 0.68 -2.76 0.00 0.00 -1.26 -3.91 120.51 119.56 1jxf n ALA 45 Ca 0.14 -0.82 -0.26 0.00 0.00 0.00 0.00 53.44 52.50 1jxf n ALA 45 Cb 0.45 -3.02 -0.02 0.00 0.00 0.00 0.00 19.45 16.85 1jxf n ALA 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jxf n ASP 46 N 14.88 4.37 0.00 0.00 -0.08 -1.26 -4.68 116.55 129.78 1jxf n ASP 46 Ca 0.43 -3.65 0.00 0.00 -1.51 0.00 0.00 54.79 50.06 1jxf n ASP 46 Cb 0.44 -0.52 0.00 0.00 2.34 0.00 0.00 41.12 43.38 1jxf n ASP 46 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jxf n GLY 47 N -0.32 1.09 3.86 0.27 0.00 -1.26 -4.78 105.19 104.04 1jxf n GLY 47 Ca 0.33 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.75 1.58 0.93 1.61 0.11 -1.26 -4.67 120.40 117.94 1jxf s VAL 48 Ca 0.00 -1.63 -0.13 0.00 -2.93 0.00 0.00 61.98 57.29 1jxf s VAL 48 Cb 0.00 -2.20 0.15 0.00 -1.53 0.00 0.00 36.38 32.80 1jxf s VAL 48 CO 0.00 0.00 1.14 -0.62 -3.33 0.00 0.00 175.10 172.29 1jxf s ASP 49 N -4.16 3.32 0.00 3.54 2.15 -1.26 -4.82 116.67 115.45 1jxf s ASP 49 Ca 0.27 0.94 0.00 0.00 0.43 0.00 0.00 52.55 54.19 1jxf s ASP 49 Cb -0.01 -1.49 0.00 0.00 -0.30 0.00 0.00 42.92 41.12 1jxf s ASP 49 CO 0.17 -2.66 0.00 0.00 -0.17 0.00 0.00 175.17 172.50 1jxf n ALA 50 N -3.84 0.00 -0.38 3.66 0.00 -1.26 -2.48 120.51 116.21 1jxf n ALA 50 Ca 0.07 -0.00 0.35 0.00 0.00 0.00 0.00 53.44 53.86 1jxf n ALA 50 Cb 0.59 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.66 1jxf n ALA 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jxf n ASP 51 N -1.98 0.29 0.20 0.00 8.00 -1.26 0.16 116.55 121.97 1jxf n ASP 51 Ca 0.00 1.52 -0.15 0.00 0.71 0.00 0.00 54.79 56.87 1jxf n ASP 51 Cb 0.00 -0.74 -0.08 0.00 -0.02 0.00 0.00 41.12 40.28 1jxf n ASP 51 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1jxf h THR 52 N 0.00 0.65 0.00 -3.53 2.02 -1.97 -2.11 112.91 107.96 1jxf h THR 52 Ca 0.85 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.76 1jxf h THR 52 Cb 2.45 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 69.64 1jxf h THR 52 CO -0.63 0.05 0.00 0.00 0.37 0.00 0.00 175.52 175.31 1jxf n ALA 53 N -2.39 1.78 0.27 6.16 0.00 0.35 -2.17 120.51 124.51 1jxf n ALA 53 Ca -0.10 -0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.21 1jxf n ALA 53 Cb 0.25 -1.32 -0.05 0.00 0.00 0.00 0.00 19.45 18.33 1jxf n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jxf h ALA 54 N 2.50 -1.03 -0.39 0.00 0.00 0.23 0.61 119.26 121.19 1jxf h ALA 54 Ca 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1jxf h ALA 54 Cb 0.34 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1jxf h ALA 54 CO 0.00 -0.97 -0.16 -0.22 0.00 0.00 0.00 179.25 177.89 1jxf h LYS 55 N -0.81 0.73 -0.06 0.00 3.64 -1.51 -2.09 116.57 116.47 1jxf h LYS 55 Ca -0.07 -0.26 -0.03 0.00 -1.27 0.00 0.00 60.65 59.02 1jxf h LYS 55 Cb 0.54 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1jxf h LYS 55 CO 0.12 0.85 -0.11 -0.07 -2.27 0.00 0.00 179.45 177.97 1jxf h LEU 56 N 0.65 0.07-10.37 5.20 4.07 -1.43 -3.43 115.31 110.08 1jxf h LEU 56 Ca 0.10 -0.01 -0.50 0.00 0.08 0.00 0.00 57.88 57.55 1jxf h LEU 56 Cb 0.64 -0.02 0.10 0.00 1.08 0.00 0.00 40.66 42.46 1jxf h LEU 56 CO 0.04 0.20 0.35 -0.44 -1.08 0.00 0.00 178.44 177.52 1jxf s SER 57 N -6.97 4.92 -0.29 -0.43 0.01 0.21 -4.68 113.70 106.47 1jxf s SER 57 Ca -0.05 1.48 -0.04 0.00 1.31 0.00 0.00 55.95 58.66 1jxf s SER 57 Cb 0.16 -2.29 0.10 0.00 0.21 0.00 0.00 66.02 64.21 1jxf s SER 57 CO 0.70 -1.72 0.15 -1.00 0.41 0.00 0.00 173.24 171.78 1jxf s HIS 58 N -3.09 0.26 -0.16 2.43 3.76 0.51 -4.88 115.29 114.12 1jxf s HIS 58 Ca 0.59 -0.84 -0.22 0.00 -0.15 0.00 0.00 55.06 54.45 1jxf s HIS 58 Cb -0.14 -0.86 -0.19 0.00 1.11 0.00 0.00 32.58 32.50 1jxf s HIS 58 CO 0.55 -0.84 0.39 0.87 -0.85 0.00 0.00 174.74 174.86 1jxf h LYS 59 N 8.36 0.00 -5.75 1.40 1.57 -1.93 -2.41 116.57 117.81 1jxf h LYS 59 Ca -0.19 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.93 1jxf h LYS 59 Cb 1.01 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.28 1jxf h LYS 59 CO 0.43 0.82 1.46 0.41 -0.57 0.00 0.00 179.45 182.00 1jxf n GLY 60 N 1.55 -0.04 1.06 3.86 0.00 -1.26 -4.81 105.19 105.55 1jxf n GLY 60 Ca -0.18 1.05 -0.07 0.00 0.00 0.00 0.00 46.02 46.82 1jxf n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jxf n LEU 61 N 9.25 0.00 -3.70 0.99 7.99 -1.26 -4.87 117.00 125.39 1jxf n LEU 61 Ca 0.53 -0.21 -0.16 0.00 -0.01 0.00 0.00 56.01 56.16 1jxf n LEU 61 Cb 0.08 -0.29 -0.16 0.00 -0.11 0.00 0.00 43.42 42.94 1jxf n LEU 61 CO 0.85 -1.77 -0.28 0.00 -1.51 0.00 0.00 177.39 174.68 1jxf s ALA 62 N -2.03 -0.05 -0.35 -1.18 0.00 -1.26 -4.98 121.76 111.91 1jxf s ALA 62 Ca 0.16 0.46 0.10 0.00 0.00 0.00 0.00 51.96 52.68 1jxf s ALA 62 Cb -0.03 -0.59 0.45 0.00 0.00 0.00 0.00 23.12 22.95 1jxf s ALA 62 CO 0.13 -0.37 1.11 1.19 0.00 0.00 0.00 175.76 177.82 1jxf n PHE 63 N 4.86 2.58 -3.71 0.00 3.01 -1.26 -4.22 117.46 118.73 1jxf n PHE 63 Ca -0.13 -2.64 -0.14 0.00 1.01 0.00 0.00 57.45 55.55 1jxf n PHE 63 Cb 0.50 -0.23 -0.14 0.00 -0.01 0.00 0.00 39.48 39.60 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 -3.54 -0.39 -0.86 4.37 0.00 -1.26 -5.08 121.76 115.01 1jxf s ALA 64 Ca 0.43 0.81 -0.25 0.00 0.00 0.00 0.00 51.96 52.95 1jxf s ALA 64 Cb 0.40 -0.69 -0.07 0.00 0.00 0.00 0.00 23.12 22.76 1jxf s ALA 64 CO -0.06 -0.34 2.05 0.00 0.00 0.00 0.00 175.76 177.41 1jxf s ALA 65 N 1.67 1.46 0.00 0.00 0.00 -1.26 -2.79 121.76 120.83 1jxf s ALA 65 Ca -0.05 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.62 1jxf s ALA 65 Cb -0.11 -4.55 0.00 0.00 0.00 0.00 0.00 23.12 18.46 1jxf s ALA 65 CO -0.07 -5.02 0.00 0.41 0.00 0.00 0.00 175.76 171.07 1jxf n GLY 66 N 6.78 0.45 3.69 0.00 0.00 -1.26 -5.11 105.19 109.75 1jxf n GLY 66 Ca 0.41 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.06 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 4.19 -0.18 1.61 -6.30 -1.12 -4.92 118.70 111.98 1jxf s GLU 67 Ca 0.00 0.06 -0.02 0.00 -2.50 0.00 0.00 54.97 52.51 1jxf s GLU 67 Cb 0.00 -3.49 0.05 0.00 0.00 0.00 0.00 34.13 30.69 1jxf s GLU 67 CO 0.00 0.10 -0.00 -1.12 0.02 0.00 0.00 175.26 174.26 1jxf s SER 68 N 0.81 2.91 0.67 -1.70 0.01 -1.26 -1.61 113.70 113.52 1jxf s SER 68 Ca 0.15 -0.77 -0.05 0.00 1.31 0.00 0.00 55.95 56.60 1jxf s SER 68 Cb -0.14 -0.74 0.06 0.00 0.21 0.00 0.00 66.02 65.41 1jxf s SER 68 CO 0.05 -0.26 0.96 -0.36 0.41 0.00 0.00 173.24 174.05 1jxf s PHE 69 N 1.75 2.88 0.10 2.43 0.08 -1.25 -4.79 117.98 119.16 1jxf s PHE 69 Ca -0.01 0.32 0.07 0.00 0.12 0.00 0.00 56.93 57.43 1jxf s PHE 69 Cb -0.16 -3.09 -0.03 0.00 -0.57 0.00 0.00 43.02 39.16 1jxf s PHE 69 CO -0.07 -1.29 -0.17 0.99 -0.10 0.00 0.00 175.22 174.58 1jxf s THR 70 N -3.13 1.40 -0.06 0.64 2.01 -1.26 -2.02 115.64 113.21 1jxf s THR 70 Ca 0.60 -1.50 -0.05 0.00 0.31 0.00 0.00 61.69 61.04 1jxf s THR 70 Cb -0.11 -1.37 0.02 0.00 0.01 0.00 0.00 72.50 71.06 1jxf s THR 70 CO 0.43 -0.21 0.16 -0.55 -0.69 0.00 0.00 174.62 173.77 1jxf s SER 71 N -1.98 -0.17 -0.34 3.53 0.15 -0.09 -4.89 113.70 109.91 1jxf s SER 71 Ca 0.04 0.33 -0.15 0.00 0.70 0.00 0.00 55.95 56.87 1jxf s SER 71 Cb -0.09 0.31 -0.01 0.00 -1.71 0.00 0.00 66.02 64.52 1jxf s SER 71 CO 0.03 -0.07 0.35 -0.89 1.20 0.00 0.00 173.24 173.86 1jxf s THR 72 N 0.29 5.18 -0.81 6.45 2.01 -1.26 -0.81 115.64 126.69 1jxf s THR 72 Ca -0.02 0.03 -0.03 0.00 0.31 0.00 0.00 61.69 61.99 1jxf s THR 72 Cb -0.03 -3.81 0.25 0.00 0.01 0.00 0.00 72.50 68.92 1jxf s THR 72 CO -0.01 -0.09 2.22 0.49 -0.69 0.00 0.00 174.62 176.54 1jxf n PHE 73 N 5.36 2.55 0.05 4.92 3.01 -0.36 -4.67 117.46 128.33 1jxf n PHE 73 Ca -0.09 -2.29 -0.02 0.00 1.01 0.00 0.00 57.45 56.05 1jxf n PHE 73 Cb 0.49 -1.29 -0.01 0.00 -0.01 0.00 0.00 39.48 38.66 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 2.08 0.00 -2.53 4.37 2.02 -1.83 0.42 112.91 117.43 1jxf h THR 74 Ca 0.53 -0.29 -0.53 0.00 0.77 0.00 0.00 66.41 66.89 1jxf h THR 74 Cb 0.27 0.00 0.02 0.00 -1.74 0.00 0.00 68.15 66.70 1jxf h THR 74 CO 1.25 0.00 1.12 -1.61 0.37 0.00 0.00 175.52 176.65 1jxf s GLU 75 N -2.09 4.16 -0.53 6.66 2.02 -1.26 -3.97 118.70 123.70 1jxf s GLU 75 Ca -0.02 2.46 -0.28 0.00 0.02 0.00 0.00 54.97 57.15 1jxf s GLU 75 Cb 0.00 -3.85 0.01 0.00 0.10 0.00 0.00 34.13 30.39 1jxf s GLU 75 CO 0.07 -0.85 1.48 -1.25 0.02 0.00 0.00 175.26 174.72 1jxf s PRO 76 N 3.51 3.29 0.00 0.39 0.04 -1.26 -4.84 135.00 136.13 1jxf s PRO 76 Ca 0.80 0.61 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1jxf s PRO 76 Cb -0.41 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.00 1jxf s PRO 76 CO 0.36 -1.94 0.00 0.41 0.04 0.00 0.00 177.00 175.87 1jxf n GLY 77 N 5.28 4.04 2.68 0.56 0.00 -1.26 -4.98 105.19 111.51 1jxf n GLY 77 Ca 0.14 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 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 0.20 -0.26 -0.00 2.61 2.01 -1.26 -2.15 115.64 116.78 1jxf s THR 78 Ca 0.00 -0.76 -0.21 0.00 0.31 0.00 0.00 61.69 61.03 1jxf s THR 78 Cb 0.00 -0.94 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 1jxf s THR 78 CO 0.00 -0.60 0.63 -0.31 -0.69 0.00 0.00 174.62 173.65 1jxf s TYR 79 N 2.01 3.68 -0.28 4.92 1.51 -1.02 -4.32 117.35 123.85 1jxf s TYR 79 Ca 0.11 1.24 0.01 0.00 -1.01 0.00 0.00 57.07 57.42 1jxf s TYR 79 Cb -0.15 -2.65 0.06 0.00 -0.11 0.00 0.00 41.96 39.10 1jxf s TYR 79 CO -0.25 0.32 -0.06 0.95 -1.11 0.00 0.00 175.55 175.40 1jxf s THR 80 N -0.08 2.53 -0.17 -0.71 -4.23 -1.25 0.29 115.64 112.01 1jxf s THR 80 Ca 0.33 -1.56 -0.03 0.00 -1.18 0.00 0.00 61.69 59.24 1jxf s THR 80 Cb -0.18 -2.49 -0.02 0.00 1.34 0.00 0.00 72.50 71.15 1jxf s THR 80 CO 0.18 -0.09 -0.05 -0.72 -0.54 0.00 0.00 174.62 173.40 1jxf s TYR 81 N 1.16 2.98 0.35 3.99 1.13 -1.18 -1.06 117.35 124.72 1jxf s TYR 81 Ca -0.07 -0.48 0.04 0.00 -1.41 0.00 0.00 57.07 55.16 1jxf s TYR 81 Cb -0.20 -1.98 -0.03 0.00 -1.10 0.00 0.00 41.96 38.65 1jxf s TYR 81 CO -0.03 -0.17 0.16 1.52 -2.51 0.00 0.00 175.55 174.51 1jxf s TYR 82 N 0.62 1.72 0.07 -3.49 -0.85 -0.99 -1.56 117.35 112.87 1jxf s TYR 82 Ca -0.03 -1.37 -0.25 0.00 -0.52 0.00 0.00 57.07 54.90 1jxf s TYR 82 Cb -0.15 -0.98 -0.06 0.00 0.38 0.00 0.00 41.96 41.16 1jxf s TYR 82 CO 0.03 -0.47 0.77 0.00 -1.52 0.00 0.00 175.55 174.36 1jxf h GLU 84 N 5.34 -0.12 -0.01 0.00 5.08 -1.95 1.26 114.58 124.17 1jxf h GLU 84 Ca -0.45 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 57.87 1jxf h GLU 84 Cb 1.21 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1jxf h GLU 84 CO 0.70 -0.08 -0.21 -1.00 -1.00 0.00 0.00 179.01 177.42 1jxf h PRO 85 N -0.12 0.16 -1.26 2.33 0.13 -1.96 -3.23 132.00 128.06 1jxf h PRO 85 Ca 0.07 -0.16 -0.38 0.00 -0.87 0.00 0.00 66.00 64.66 1jxf h PRO 85 Cb 0.22 0.04 -0.18 0.00 0.13 0.00 0.00 31.00 31.21 1jxf h PRO 85 CO -0.17 0.87 0.50 0.72 -0.23 0.00 0.00 178.00 179.69 1jxf n HIS 86 N -4.54 1.96 -2.28 1.56 8.25 -1.17 -4.83 115.22 114.16 1jxf n HIS 86 Ca -0.09 -1.94 -0.34 0.00 -0.26 0.00 0.00 57.72 55.08 1jxf n HIS 86 Cb 0.47 -0.95 -0.04 0.00 1.12 0.00 0.00 29.99 30.59 1jxf n HIS 86 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1jxf s ARG 87 N -2.24 3.00 0.00 -0.41 3.00 0.43 -2.35 118.95 120.38 1jxf s ARG 87 Ca 0.38 -0.54 0.00 0.00 -1.00 0.00 0.00 55.73 54.57 1jxf s ARG 87 Cb 0.31 -5.08 0.00 0.00 0.00 0.00 0.00 34.95 30.18 1jxf s ARG 87 CO 0.02 -2.80 0.00 0.41 0.00 0.00 0.00 175.30 172.92 1jxf n GLY 88 N 6.69 0.81 0.16 8.12 0.00 -1.26 -4.95 105.19 114.76 1jxf n GLY 88 Ca 0.34 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 1jxf n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jxf h ALA 89 N 0.00 0.52 0.00 4.61 0.00 -1.79 -3.46 119.26 119.14 1jxf h ALA 89 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1jxf h ALA 89 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1jxf h ALA 89 CO 0.00 0.82 0.00 0.41 0.00 0.00 0.00 179.25 180.48 1jxf n GLY 90 N 0.74 0.63 3.61 0.00 0.00 -1.26 -5.12 105.19 103.80 1jxf n GLY 90 Ca -0.05 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 1jxf n GLY 90 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1jxf s MET 91 N 0.00 4.02 0.03 1.61 0.00 -1.26 -5.02 119.30 118.67 1jxf s MET 91 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 55.69 55.54 1jxf s MET 91 Cb 0.00 -3.64 0.01 0.00 0.00 0.00 0.00 34.83 31.20 1jxf s MET 91 CO 0.00 -0.21 0.22 0.08 0.00 0.00 0.00 175.02 175.10 1jxf s VAL 92 N 1.87 0.09 0.14 5.16 1.01 -1.26 -4.39 120.40 123.02 1jxf s VAL 92 Ca 0.13 -0.78 0.10 0.00 0.00 0.00 0.00 61.98 61.43 1jxf s VAL 92 Cb -0.16 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 1jxf s VAL 92 CO 0.10 -0.43 -0.21 -0.83 0.00 0.00 0.00 175.10 173.72 1jxf s GLY 93 N -1.88 1.66 -0.33 4.51 0.00 -0.60 -4.69 107.32 105.99 1jxf s GLY 93 Ca -0.08 -1.45 -0.01 0.00 0.00 0.00 0.00 44.72 43.18 1jxf s GLY 93 CO -0.02 -1.44 0.21 1.25 0.00 0.00 0.00 173.10 173.10 1jxf s LYS 94 N -2.26 0.43 0.38 2.90 2.20 -0.91 -3.08 119.74 119.40 1jxf s LYS 94 Ca 0.18 -0.95 -0.21 0.00 -0.36 0.00 0.00 55.97 54.62 1jxf s LYS 94 Cb -0.10 -1.15 -0.10 0.00 -1.51 0.00 0.00 37.83 34.97 1jxf s LYS 94 CO 0.09 -1.14 0.91 0.08 -0.36 0.00 0.00 175.35 174.93 1jxf s VAL 95 N 1.52 4.39 -0.13 4.02 1.01 0.14 -3.93 120.40 127.42 1jxf s VAL 95 Ca 0.15 1.49 -0.04 0.00 0.00 0.00 0.00 61.98 63.57 1jxf s VAL 95 Cb -0.19 -3.71 0.05 0.00 0.00 0.00 0.00 36.38 32.52 1jxf s VAL 95 CO -0.13 -0.16 0.08 -0.69 0.00 0.00 0.00 175.10 174.19 1jxf s VAL 96 N -1.98 -0.04 0.14 2.92 1.01 -0.98 -2.44 120.40 119.03 1jxf s VAL 96 Ca 0.57 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 62.44 1jxf s VAL 96 Cb -0.12 -0.49 -0.06 0.00 0.00 0.00 0.00 36.38 35.71 1jxf s VAL 96 CO 0.17 -0.14 0.45 -0.69 0.00 0.00 0.00 175.10 174.89 1jxf s VAL 97 N 2.12 5.04 -0.63 2.92 1.01 -0.91 -3.27 120.40 126.68 1jxf s VAL 97 Ca 0.03 0.40 0.05 0.00 0.00 0.00 0.00 61.98 62.46 1jxf s VAL 97 Cb -0.15 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.63 1jxf s VAL 97 CO -0.07 0.12 0.66 -0.67 0.00 0.00 0.00 175.10 175.14