#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 -0.21 -0.03 0.00 2.20 -1.26 -4.83 114.94 110.81 1jxf s ASN 2 Ca 0.00 0.43 -0.22 0.00 -0.94 0.00 0.00 52.86 52.12 1jxf s ASN 2 Cb 0.00 0.37 -0.05 0.00 -2.00 0.00 0.00 41.25 39.58 1jxf s ASN 2 CO 0.00 -0.11 0.67 0.00 -2.94 0.00 0.00 177.10 174.71 1jxf s ALA 3 N 0.66 3.40 -0.08 3.54 0.00 -1.15 -5.05 121.76 123.08 1jxf s ALA 3 Ca -0.05 0.11 -0.02 0.00 0.00 0.00 0.00 51.96 52.01 1jxf s ALA 3 Cb -0.06 -2.88 0.03 0.00 0.00 0.00 0.00 23.12 20.22 1jxf s ALA 3 CO -0.04 0.02 0.02 0.99 0.00 0.00 0.00 175.76 176.75 1jxf s THR 4 N 0.32 0.29 0.10 0.00 2.01 -1.26 -1.81 115.64 115.29 1jxf s THR 4 Ca 0.35 0.09 0.08 0.00 0.31 0.00 0.00 61.69 62.51 1jxf s THR 4 Cb -0.18 -0.53 -0.03 0.00 0.01 0.00 0.00 72.50 71.77 1jxf s THR 4 CO 0.18 0.17 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.39 1jxf s VAL 5 N 2.00 1.64 -0.04 3.82 1.01 0.09 -4.44 120.40 124.48 1jxf s VAL 5 Ca 0.04 -1.52 -0.02 0.00 0.00 0.00 0.00 61.98 60.48 1jxf s VAL 5 Cb -0.13 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.78 1jxf s VAL 5 CO -0.05 -0.09 0.06 -0.54 0.00 0.00 0.00 175.10 174.48 1jxf s LYS 6 N -1.91 -0.05 0.27 2.72 1.02 -1.01 -1.48 119.74 119.31 1jxf s LYS 6 Ca 0.06 0.34 -0.20 0.00 0.02 0.00 0.00 55.97 56.18 1jxf s LYS 6 Cb -0.10 -0.40 -0.09 0.00 -0.52 0.00 0.00 37.83 36.73 1jxf s LYS 6 CO 0.04 -0.27 0.79 0.00 -0.92 0.00 0.00 175.35 174.99 1jxf s MET 7 N 1.81 4.28 -0.17 1.68 0.23 0.13 -3.82 119.30 123.44 1jxf s MET 7 Ca -0.00 0.96 -0.02 0.00 -1.03 0.00 0.00 55.69 55.60 1jxf s MET 7 Cb -0.12 -2.74 0.01 0.00 -1.53 0.00 0.00 34.83 30.44 1jxf s MET 7 CO -0.03 0.30 0.03 0.41 -2.03 0.00 0.00 175.02 173.70 1jxf n GLY 8 N 0.42 -3.85 3.04 3.16 0.00 -0.98 -2.72 105.19 104.26 1jxf n GLY 8 Ca 0.00 0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.99 1jxf n GLY 8 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jxf n SER 9 N 0.54 -3.17 -3.13 1.61 7.64 -0.38 -3.76 113.62 112.97 1jxf n SER 9 Ca -0.06 0.66 -0.26 0.00 1.01 0.00 0.00 58.87 60.22 1jxf n SER 9 Cb 0.09 -0.80 -0.03 0.00 -1.01 0.00 0.00 64.21 62.46 1jxf n SER 9 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1jxf n ASP 10 N 2.28 5.98 0.00 6.43 2.03 -1.26 -3.58 116.55 128.43 1jxf n ASP 10 Ca 0.08 -2.38 0.00 0.00 0.52 0.00 0.00 54.79 53.01 1jxf n ASP 10 Cb 0.42 -1.23 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 3.89 0.00 0.00 1.67 2.88 -1.26 -5.07 113.62 115.73 1jxf n SER 11 Ca 0.54 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 1jxf n SER 11 Cb 0.20 0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 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 0.15 0.00 3.12 0.46 0.00 -1.24 -5.07 105.19 102.62 1jxf n GLY 12 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.36 -0.53 4.61 0.00 -1.26 -4.99 121.76 119.22 1jxf s ALA 13 Ca 0.00 -0.12 -0.17 0.00 0.00 0.00 0.00 51.96 51.67 1jxf s ALA 13 Cb 0.00 0.12 0.10 0.00 0.00 0.00 0.00 23.12 23.34 1jxf s ALA 13 CO 0.00 -0.22 0.55 -0.48 0.00 0.00 0.00 175.76 175.61 1jxf s LEU 14 N -1.44 5.62 0.05 0.00 0.05 -1.26 -1.25 118.68 120.45 1jxf s LEU 14 Ca -0.14 -1.43 -0.05 0.00 0.05 0.00 0.00 54.13 52.56 1jxf s LEU 14 Cb -0.07 -2.27 -0.02 0.00 -2.05 0.00 0.00 46.19 41.79 1jxf s LEU 14 CO 0.01 -0.88 0.08 0.68 -0.55 0.00 0.00 176.35 175.70 1jxf s VAL 15 N 2.08 0.15 -0.39 1.48 -7.23 -1.26 -4.71 120.40 110.52 1jxf s VAL 15 Ca 0.08 -1.25 -0.14 0.00 -1.81 0.00 0.00 61.98 58.85 1jxf s VAL 15 Cb -0.25 -1.09 0.01 0.00 0.56 0.00 0.00 36.38 35.61 1jxf s VAL 15 CO 0.06 -0.69 0.27 -0.36 -0.31 0.00 0.00 175.10 174.07 1jxf s PHE 16 N -3.08 3.24 -0.04 2.82 0.08 -1.26 -2.31 117.98 117.42 1jxf s PHE 16 Ca -0.01 -0.60 -0.01 0.00 0.12 0.00 0.00 56.93 56.43 1jxf s PHE 16 Cb 0.02 -2.54 0.03 0.00 -0.57 0.00 0.00 43.02 39.96 1jxf s PHE 16 CO -0.07 -0.56 0.06 -2.00 -0.10 0.00 0.00 175.22 172.55 1jxf s GLU 17 N 1.66 -0.05 0.18 0.44 2.12 -1.25 -0.70 118.70 121.10 1jxf s GLU 17 Ca 0.05 0.33 -0.30 0.00 0.36 0.00 0.00 54.97 55.41 1jxf s GLU 17 Cb -0.19 -0.39 -0.08 0.00 0.26 0.00 0.00 34.13 33.74 1jxf s GLU 17 CO 0.09 -0.27 1.12 -1.25 -0.54 0.00 0.00 175.26 174.42 1jxf s PRO 18 N 1.76 4.57 0.44 4.30 0.04 -1.26 -2.42 135.00 142.44 1jxf s PRO 18 Ca -0.01 1.75 0.13 0.00 0.04 0.00 0.00 61.00 62.91 1jxf s PRO 18 Cb -0.12 -3.27 1.02 0.00 0.04 0.00 0.00 34.50 32.17 1jxf s PRO 18 CO -0.03 0.04 2.02 0.66 0.04 0.00 0.00 177.00 179.73 1jxf h SER 19 N 5.12 0.35 -3.52 6.66 4.64 -1.22 -3.40 113.55 122.17 1jxf h SER 19 Ca -0.44 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.46 1jxf h SER 19 Cb 1.21 -0.07 -0.33 0.00 -0.31 0.00 0.00 62.40 62.90 1jxf h SER 19 CO 0.73 0.23 -0.78 -0.89 -0.87 0.00 0.00 176.83 175.25 1jxf s THR 20 N -5.37 0.62 -0.03 2.95 2.01 -1.26 -1.13 115.64 113.43 1jxf s THR 20 Ca -0.07 -0.19 0.04 0.00 0.31 0.00 0.00 61.69 61.78 1jxf s THR 20 Cb 0.19 -0.61 -0.01 0.00 0.01 0.00 0.00 72.50 72.08 1jxf s THR 20 CO 0.74 0.23 -0.16 0.68 -0.69 0.00 0.00 174.62 175.42 1jxf s VAL 21 N 0.73 1.27 -0.32 3.82 -7.23 -1.16 -5.04 120.40 112.47 1jxf s VAL 21 Ca -0.11 -0.66 0.03 0.00 -1.81 0.00 0.00 61.98 59.44 1jxf s VAL 21 Cb -0.13 -1.08 0.10 0.00 0.56 0.00 0.00 36.38 35.83 1jxf s VAL 21 CO 0.01 0.36 0.04 -0.89 -0.31 0.00 0.00 175.10 174.31 1jxf s THR 22 N -0.14 1.99 0.52 5.32 2.01 -1.26 -2.66 115.64 121.41 1jxf s THR 22 Ca 0.01 -2.08 0.05 0.00 0.31 0.00 0.00 61.69 59.99 1jxf s THR 22 Cb -0.09 -2.44 0.05 0.00 0.01 0.00 0.00 72.50 70.04 1jxf s THR 22 CO 0.01 -0.55 0.44 2.30 -0.69 0.00 0.00 174.62 176.13 1jxf n ILE 23 N 4.39 0.00 -1.77 1.82 -6.64 -1.23 -5.02 119.36 110.91 1jxf n ILE 23 Ca 0.01 -1.99 -0.30 0.00 -1.77 0.00 0.00 62.75 58.70 1jxf n ILE 23 Cb 0.42 -0.14 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 -4.16 0.03 -0.88 6.28 1.02 -1.26 -2.35 119.74 118.43 1jxf s LYS 24 Ca 0.34 -0.44 -0.14 0.00 0.02 0.00 0.00 55.97 55.74 1jxf s LYS 24 Cb -0.03 -1.78 0.21 0.00 -0.52 0.00 0.00 37.83 35.72 1jxf s LYS 24 CO 0.21 -2.82 0.87 0.00 -0.92 0.00 0.00 175.35 172.69 1jxf s ALA 25 N -3.77 4.03 0.00 5.17 0.00 0.25 -3.87 121.76 123.58 1jxf s ALA 25 Ca 0.75 -3.29 0.00 0.00 0.00 0.00 0.00 51.96 49.43 1jxf s ALA 25 Cb -0.04 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1jxf s ALA 25 CO 0.54 -2.39 0.00 0.41 0.00 0.00 0.00 175.76 174.32 1jxf n GLY 26 N 4.10 0.60 3.63 0.00 0.00 0.23 -4.87 105.19 108.87 1jxf n GLY 26 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1jxf n GLY 26 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jxf n GLU 27 N 0.00 -2.24 -4.62 1.61 4.07 -1.22 -4.67 120.64 113.57 1jxf n GLU 27 Ca 0.00 -1.87 -0.28 0.00 -0.06 0.00 0.00 57.16 54.95 1jxf n GLU 27 Cb 0.00 -1.49 -0.09 0.00 -0.06 0.00 0.00 31.44 29.80 1jxf n GLU 27 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1jxf s GLU 28 N -5.65 1.98 0.11 5.31 1.03 -1.26 -0.39 118.70 119.82 1jxf s GLU 28 Ca 0.72 -2.18 0.02 0.00 0.03 0.00 0.00 54.97 53.56 1jxf s GLU 28 Cb -0.04 -1.32 -0.04 0.00 -0.80 0.00 0.00 34.13 31.92 1jxf s GLU 28 CO 0.53 -0.24 -0.07 0.08 -1.33 0.00 0.00 175.26 174.23 1jxf s VAL 29 N -2.94 0.79 0.03 1.83 1.01 -0.85 -2.92 120.40 117.36 1jxf s VAL 29 Ca 0.24 -1.96 0.02 0.00 0.00 0.00 0.00 61.98 60.29 1jxf s VAL 29 Cb 0.06 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 1jxf s VAL 29 CO 0.12 -0.84 -0.08 -0.75 0.00 0.00 0.00 175.10 173.55 1jxf s LYS 30 N -3.80 0.55 0.02 2.72 2.20 -0.75 -2.22 119.74 118.46 1jxf s LYS 30 Ca 0.13 -0.66 0.05 0.00 -0.36 0.00 0.00 55.97 55.13 1jxf s LYS 30 Cb 0.05 -0.39 -0.02 0.00 -1.51 0.00 0.00 37.83 35.96 1jxf s LYS 30 CO -0.04 0.08 -0.16 -1.58 -0.36 0.00 0.00 175.35 173.30 1jxf s TRP 31 N -1.09 1.41 -0.01 4.03 0.51 -0.88 -0.73 118.94 122.18 1jxf s TRP 31 Ca -0.06 -0.32 0.03 0.00 -2.12 0.00 0.00 56.10 53.62 1jxf s TRP 31 Cb -0.08 -0.86 -0.01 0.00 -0.81 0.00 0.00 33.47 31.70 1jxf s TRP 31 CO 0.00 0.03 -0.09 0.08 -0.51 0.00 0.00 176.95 176.46 1jxf s VAL 32 N -0.65 0.74 0.13 4.03 1.01 -0.55 -1.83 120.40 123.28 1jxf s VAL 32 Ca 0.05 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.54 1jxf s VAL 32 Cb -0.07 -0.62 -0.06 0.00 0.00 0.00 0.00 36.38 35.63 1jxf s VAL 32 CO 0.01 0.20 0.39 0.54 0.00 0.00 0.00 175.10 176.23 1jxf s ASN 33 N -0.25 6.54 0.00 3.32 4.22 -1.26 -0.70 114.94 126.81 1jxf s ASN 33 Ca 0.03 0.66 0.00 0.00 -2.14 0.00 0.00 52.86 51.42 1jxf s ASN 33 Cb -0.04 -2.12 0.00 0.00 1.28 0.00 0.00 41.25 40.37 1jxf s ASN 33 CO -0.00 0.08 0.00 0.59 -2.04 0.00 0.00 177.10 175.73 1jxf n ASN 34 N 0.32 0.00 -4.71 3.54 3.02 -1.10 -4.78 115.26 111.55 1jxf n ASN 34 Ca -0.04 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.18 1jxf n ASN 34 Cb 0.52 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.63 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 -0.11 0.75 -2.97 3.52 4.76 -1.25 -4.90 118.16 117.97 1jxf n LYS 35 Ca 0.00 -3.72 -0.01 0.00 -2.87 0.00 0.00 58.31 51.71 1jxf n LYS 35 Cb 0.00 0.96 0.00 0.00 -1.84 0.00 0.00 35.03 34.15 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 -6.71 -4.42 -0.35 7.99 -1.26 -4.38 117.00 107.88 1jxf n LEU 36 Ca -0.20 -0.01 -0.21 0.00 -0.01 0.00 0.00 56.01 55.58 1jxf n LEU 36 Cb 0.65 -3.22 -0.10 0.00 -0.11 0.00 0.00 43.42 40.63 1jxf n LEU 36 CO 0.35 -1.20 -0.36 -0.94 -1.51 0.00 0.00 177.39 173.73 1jxf s SER 37 N -2.91 2.68 0.56 -1.43 1.04 -1.26 -4.16 113.70 108.22 1jxf s SER 37 Ca 0.02 -1.20 -0.17 0.00 0.48 0.00 0.00 55.95 55.09 1jxf s SER 37 Cb -0.01 -0.15 -0.05 0.00 0.10 0.00 0.00 66.02 65.91 1jxf s SER 37 CO 0.72 -0.36 1.05 -2.16 0.98 0.00 0.00 173.24 173.46 1jxf s PRO 38 N -3.74 3.50 -0.06 4.02 0.04 -1.26 -5.15 135.00 132.35 1jxf s PRO 38 Ca 0.30 1.22 -0.02 0.00 0.04 0.00 0.00 61.00 62.53 1jxf s PRO 38 Cb 0.04 -2.06 0.04 0.00 0.04 0.00 0.00 34.50 32.56 1jxf s PRO 38 CO 0.12 -0.66 0.12 -1.01 0.04 0.00 0.00 177.00 175.60 1jxf s HIS 39 N -2.35 -0.10 0.48 0.56 3.76 -1.26 -4.95 115.29 111.44 1jxf s HIS 39 Ca 0.64 0.42 0.08 0.00 -0.15 0.00 0.00 55.06 56.05 1jxf s HIS 39 Cb -0.15 -0.23 0.03 0.00 1.11 0.00 0.00 32.58 33.33 1jxf s HIS 39 CO 0.32 -0.19 0.56 0.54 -0.85 0.00 0.00 174.74 175.12 1jxf s ASN 40 N 1.68 5.20 -0.29 1.40 4.22 -1.26 -4.10 114.94 121.79 1jxf s ASN 40 Ca -0.03 -0.74 -0.01 0.00 -2.14 0.00 0.00 52.86 49.93 1jxf s ASN 40 Cb -0.12 -0.21 0.09 0.00 1.28 0.00 0.00 41.25 42.29 1jxf s ASN 40 CO -0.05 -0.95 0.08 -0.63 -2.04 0.00 0.00 177.10 173.52 1jxf s ILE 41 N -2.53 0.75 0.28 0.54 1.01 -1.14 -4.68 121.20 115.42 1jxf s ILE 41 Ca 0.52 -1.19 0.07 0.00 0.00 0.00 0.00 60.65 60.05 1jxf s ILE 41 Cb -0.06 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 1jxf s ILE 41 CO 0.32 -0.58 0.27 0.68 0.00 0.00 0.00 174.94 175.62 1jxf s VAL 42 N 1.70 4.34 -0.31 2.92 -7.23 -1.23 0.60 120.40 121.19 1jxf s VAL 42 Ca 0.07 -1.29 -0.03 0.00 -1.81 0.00 0.00 61.98 58.92 1jxf s VAL 42 Cb -0.17 -3.43 0.11 0.00 0.56 0.00 0.00 36.38 33.45 1jxf s VAL 42 CO -0.23 -0.29 0.15 -0.36 -0.31 0.00 0.00 175.10 174.06 1jxf s PHE 43 N -2.15 0.58 -0.34 2.82 0.08 -1.26 -2.90 117.98 114.81 1jxf s PHE 43 Ca 0.36 -1.16 -0.29 0.00 0.12 0.00 0.00 56.93 55.96 1jxf s PHE 43 Cb -0.08 -1.01 0.01 0.00 -0.57 0.00 0.00 43.02 41.37 1jxf s PHE 43 CO 0.26 -0.83 1.24 0.00 -0.10 0.00 0.00 175.22 175.79 1jxf s ALA 44 N 1.79 3.34 -0.87 5.36 0.00 -0.95 -4.74 121.76 125.69 1jxf s ALA 44 Ca 0.11 -0.03 -0.25 0.00 0.00 0.00 0.00 51.96 51.79 1jxf s ALA 44 Cb -0.18 -3.78 -0.21 0.00 0.00 0.00 0.00 23.12 18.95 1jxf s ALA 44 CO -0.27 -1.82 2.49 0.00 0.00 0.00 0.00 175.76 176.17 1jxf n ALA 45 N 7.58 0.58 -3.08 0.00 0.00 -1.26 -4.26 120.51 120.07 1jxf n ALA 45 Ca 0.14 -0.65 -0.35 0.00 0.00 0.00 0.00 53.44 52.58 1jxf n ALA 45 Cb 0.47 -2.60 -0.03 0.00 0.00 0.00 0.00 19.45 17.30 1jxf n ALA 45 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jxf n ASP 46 N 11.38 5.39 0.00 0.00 5.75 -1.26 -4.61 116.55 133.20 1jxf n ASP 46 Ca 0.58 -3.52 0.00 0.00 -0.01 0.00 0.00 54.79 51.85 1jxf n ASP 46 Cb 0.20 -0.94 0.00 0.00 -1.03 0.00 0.00 41.12 39.35 1jxf n ASP 46 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jxf n GLY 47 N 0.69 1.56 3.80 6.12 0.00 -1.26 -4.67 105.19 111.42 1jxf n GLY 47 Ca 0.31 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.17 0.00 -1.52 1.61 3.14 -1.26 -4.89 118.33 115.24 1jxf n VAL 48 Ca 0.00 -1.45 -0.29 0.00 -2.96 0.00 0.00 64.34 59.65 1jxf n VAL 48 Cb 0.00 -1.00 0.14 0.00 -1.06 0.00 0.00 33.84 31.92 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 -5.11 3.34 -0.06 6.55 1.11 -1.26 -4.85 116.67 116.39 1jxf s ASP 49 Ca 0.66 0.93 -0.02 0.00 0.18 0.00 0.00 52.55 54.30 1jxf s ASP 49 Cb -0.03 -1.47 -0.01 0.00 1.07 0.00 0.00 42.92 42.48 1jxf s ASP 49 CO 0.44 -2.65 -0.04 0.00 1.18 0.00 0.00 175.17 174.11 1jxf h ALA 50 N -1.57 0.00 -1.01 5.23 0.00 -1.96 -2.96 119.26 116.99 1jxf h ALA 50 Ca -0.50 -0.16 0.30 0.00 0.00 0.00 0.00 54.91 54.55 1jxf h ALA 50 Cb 1.33 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 19.09 1jxf h ALA 50 CO 0.60 0.11 0.59 -0.44 0.00 0.00 0.00 179.25 180.11 1jxf h ASP 51 N -0.52 0.56 0.53 0.00 3.32 -1.97 1.56 116.42 119.90 1jxf h ASP 51 Ca 0.00 0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 1jxf h ASP 51 Cb 0.11 0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.76 1jxf h ASP 51 CO 0.00 -0.04 -0.25 0.74 -1.72 0.00 0.00 179.24 177.96 1jxf h THR 52 N 0.41 0.47 0.00 0.35 2.02 -1.97 -1.50 112.91 112.69 1jxf h THR 52 Ca 0.70 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.81 1jxf h THR 52 Cb 1.54 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1jxf h THR 52 CO -0.54 0.01 0.00 0.00 0.37 0.00 0.00 175.52 175.36 1jxf n ALA 53 N -2.42 2.31 -0.03 6.16 0.00 0.55 -1.77 120.51 125.31 1jxf n ALA 53 Ca -0.12 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.05 1jxf n ALA 53 Cb 0.30 -1.39 -0.10 0.00 0.00 0.00 0.00 19.45 18.26 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 3.33 0.05 0.14 0.00 0.00 0.31 -1.82 119.26 121.28 1jxf h ALA 54 Ca 0.00 -0.38 -0.33 0.00 0.00 0.00 0.00 54.91 54.21 1jxf h ALA 54 Cb 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1jxf h ALA 54 CO 0.00 -0.03 -1.64 0.87 0.00 0.00 0.00 179.25 178.44 1jxf h LYS 55 N -0.47 0.30 -0.28 0.00 1.57 -1.39 -3.29 116.57 113.01 1jxf h LYS 55 Ca -0.01 -0.52 0.03 0.00 -1.87 0.00 0.00 60.65 58.28 1jxf h LYS 55 Cb 0.78 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 1jxf h LYS 55 CO 0.03 1.18 0.19 -0.07 -0.57 0.00 0.00 179.45 180.20 1jxf h LEU 56 N 0.08 0.23-10.23 2.94 4.07 -1.46 -3.42 115.31 107.52 1jxf h LEU 56 Ca -0.29 -0.00 -0.48 0.00 0.08 0.00 0.00 57.88 57.18 1jxf h LEU 56 Cb 2.05 -0.05 0.03 0.00 1.08 0.00 0.00 40.66 43.77 1jxf h LEU 56 CO 0.16 0.16 0.38 -0.94 -1.08 0.00 0.00 178.44 177.13 1jxf s SER 57 N -6.75 6.38 -0.32 -0.43 1.04 -0.68 -4.85 113.70 108.10 1jxf s SER 57 Ca -0.07 1.57 0.01 0.00 0.48 0.00 0.00 55.95 57.95 1jxf s SER 57 Cb 0.18 -2.50 0.10 0.00 0.10 0.00 0.00 66.02 63.89 1jxf s SER 57 CO 0.71 -0.75 0.08 -1.00 0.98 0.00 0.00 173.24 173.26 1jxf s HIS 58 N -2.73 2.37 -0.31 5.02 3.76 0.20 -4.92 115.29 118.68 1jxf s HIS 58 Ca 0.59 -2.15 0.03 0.00 -0.15 0.00 0.00 55.06 53.38 1jxf s HIS 58 Cb -0.11 -2.11 0.46 0.00 1.11 0.00 0.00 32.58 31.94 1jxf s HIS 58 CO 0.38 -0.90 1.63 1.63 -0.85 0.00 0.00 174.74 176.62 1jxf n LYS 59 N 4.65 1.91 -0.94 1.40 4.76 -1.26 -2.86 118.16 125.82 1jxf n LYS 59 Ca -0.00 -2.08 -0.05 0.00 -2.87 0.00 0.00 58.31 53.31 1jxf n LYS 59 Cb 0.42 -1.82 0.02 0.00 -1.84 0.00 0.00 35.03 31.82 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 -0.61 0.57 3.22 0.72 0.00 -1.26 -5.06 105.19 102.76 1jxf n GLY 60 Ca 0.41 -1.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.26 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 2.20 -0.24 0.99 2.01 -1.26 -4.57 118.68 117.81 1jxf s LEU 61 Ca 0.13 -0.54 -0.03 0.00 0.01 0.00 0.00 54.13 53.70 1jxf s LEU 61 Cb -0.01 -0.81 0.01 0.00 0.01 0.00 0.00 46.19 45.40 1jxf s LEU 61 CO 0.09 0.08 -0.04 0.00 1.01 0.00 0.00 176.35 177.49 1jxf s ALA 62 N -0.92 2.77 0.00 4.21 0.00 -1.26 -4.92 121.76 121.64 1jxf s ALA 62 Ca 0.05 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1jxf s ALA 62 Cb -0.09 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.30 1jxf s ALA 62 CO 0.02 -0.70 0.00 1.19 0.00 0.00 0.00 175.76 176.27 1jxf n PHE 63 N 4.73 0.00 -2.62 0.00 3.72 -1.26 -4.04 117.46 117.99 1jxf n PHE 63 Ca -0.17 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.81 1jxf n PHE 63 Cb 0.48 0.08 -0.03 0.00 -0.94 0.00 0.00 39.48 39.08 1jxf n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jxf s ALA 64 N -1.95 3.28 -0.86 4.37 0.00 -1.26 -4.90 121.76 120.43 1jxf s ALA 64 Ca 0.00 0.60 -0.17 0.00 0.00 0.00 0.00 51.96 52.39 1jxf s ALA 64 Cb 0.00 -3.39 -0.12 0.00 0.00 0.00 0.00 23.12 19.61 1jxf s ALA 64 CO 0.00 -0.37 2.00 0.00 0.00 0.00 0.00 175.76 177.38 1jxf n ALA 65 N 4.17 3.85 0.00 0.00 0.00 -1.26 -2.99 120.51 124.28 1jxf n ALA 65 Ca 0.07 -2.99 0.00 0.00 0.00 0.00 0.00 53.44 50.53 1jxf n ALA 65 Cb 0.49 -3.46 0.00 0.00 0.00 0.00 0.00 19.45 16.49 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 4.29 0.00 2.97 0.00 0.00 -1.26 -5.08 105.19 106.11 1jxf n GLY 66 Ca 0.48 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 1.43 -0.01 1.61 0.41 -1.16 -5.08 118.70 115.89 1jxf s GLU 67 Ca 0.00 -1.66 -0.01 0.00 -0.41 0.00 0.00 54.97 52.89 1jxf s GLU 67 Cb 0.00 -2.95 -0.04 0.00 -1.78 0.00 0.00 34.13 29.36 1jxf s GLU 67 CO 0.00 -0.90 0.08 -1.54 -0.49 0.00 0.00 175.26 172.41 1jxf s SER 68 N 1.06 5.69 0.46 -0.19 1.04 -1.26 -4.14 113.70 116.35 1jxf s SER 68 Ca 0.08 0.16 0.08 0.00 0.48 0.00 0.00 55.95 56.75 1jxf s SER 68 Cb -0.19 -1.64 0.01 0.00 0.10 0.00 0.00 66.02 64.30 1jxf s SER 68 CO -0.10 0.28 0.50 -0.36 0.98 0.00 0.00 173.24 174.53 1jxf s PHE 69 N -1.18 2.41 -0.00 5.02 0.08 -0.76 -4.90 117.98 118.64 1jxf s PHE 69 Ca 0.22 -0.54 -0.07 0.00 0.12 0.00 0.00 56.93 56.66 1jxf s PHE 69 Cb -0.12 -2.20 0.00 0.00 -0.57 0.00 0.00 43.02 40.13 1jxf s PHE 69 CO 0.13 -0.40 0.13 0.99 -0.10 0.00 0.00 175.22 175.97 1jxf s THR 70 N -2.51 0.08 0.14 0.64 2.01 -1.26 -2.07 115.64 112.67 1jxf s THR 70 Ca 0.50 -0.64 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 1jxf s THR 70 Cb -0.05 -0.40 -0.03 0.00 0.01 0.00 0.00 72.50 72.03 1jxf s THR 70 CO 0.30 -0.35 0.15 -0.94 -0.69 0.00 0.00 174.62 173.09 1jxf s SER 71 N -1.24 0.21 -0.23 3.53 1.04 -0.94 -4.94 113.70 111.12 1jxf s SER 71 Ca -0.13 -1.03 0.02 0.00 0.48 0.00 0.00 55.95 55.29 1jxf s SER 71 Cb -0.07 0.35 0.05 0.00 0.10 0.00 0.00 66.02 66.44 1jxf s SER 71 CO 0.01 -0.78 -0.13 -0.89 0.98 0.00 0.00 173.24 172.43 1jxf s THR 72 N -4.00 2.03 -1.22 2.02 2.01 -1.26 -2.01 115.64 113.22 1jxf s THR 72 Ca 0.19 -1.36 -0.07 0.00 0.31 0.00 0.00 61.69 60.77 1jxf s THR 72 Cb 0.06 -2.07 0.21 0.00 0.01 0.00 0.00 72.50 70.71 1jxf s THR 72 CO -0.00 0.13 1.81 0.49 -0.69 0.00 0.00 174.62 176.35 1jxf n PHE 73 N 4.53 2.67 -0.06 4.92 3.01 0.48 -4.69 117.46 128.32 1jxf n PHE 73 Ca -0.16 -2.71 -0.02 0.00 1.01 0.00 0.00 57.45 55.57 1jxf n PHE 73 Cb 0.45 -1.70 -0.01 0.00 -0.01 0.00 0.00 39.48 38.21 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 3.49 0.00 -2.82 4.37 2.02 -1.83 0.65 112.91 118.79 1jxf h THR 74 Ca 0.37 -0.94 -0.55 0.00 0.77 0.00 0.00 66.41 66.06 1jxf h THR 74 Cb 0.58 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1jxf h THR 74 CO 1.52 0.00 0.92 -0.70 0.37 0.00 0.00 175.52 177.62 1jxf s GLU 75 N -1.81 4.24 -0.39 6.66 -6.30 -1.26 -3.99 118.70 115.85 1jxf s GLU 75 Ca -0.06 2.04 -0.29 0.00 -2.50 0.00 0.00 54.97 54.15 1jxf s GLU 75 Cb 0.01 -3.68 0.01 0.00 0.00 0.00 0.00 34.13 30.47 1jxf s GLU 75 CO 0.09 -0.67 1.41 -1.25 0.02 0.00 0.00 175.26 174.86 1jxf s PRO 76 N 2.87 3.62 0.00 4.30 0.04 -1.26 -4.85 135.00 139.72 1jxf s PRO 76 Ca 0.66 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1jxf s PRO 76 Cb -0.32 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.21 1jxf s PRO 76 CO 0.27 -1.51 0.00 0.41 0.04 0.00 0.00 177.00 176.21 1jxf n GLY 77 N 4.98 4.05 2.61 0.56 0.00 -1.25 -4.98 105.19 111.16 1jxf n GLY 77 Ca 0.16 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.11 -0.12 0.28 2.61 2.01 -1.26 -2.47 115.64 116.57 1jxf s THR 78 Ca 0.00 -1.50 -0.25 0.00 0.31 0.00 0.00 61.69 60.24 1jxf s THR 78 Cb 0.00 -0.85 -0.09 0.00 0.01 0.00 0.00 72.50 71.57 1jxf s THR 78 CO 0.00 -0.78 0.89 -0.31 -0.69 0.00 0.00 174.62 173.73 1jxf s TYR 79 N 1.03 3.75 -0.18 4.92 1.51 -1.09 -4.45 117.35 122.84 1jxf s TYR 79 Ca 0.21 1.72 0.00 0.00 -1.01 0.00 0.00 57.07 58.00 1jxf s TYR 79 Cb -0.13 -2.86 0.04 0.00 -0.11 0.00 0.00 41.96 38.90 1jxf s TYR 79 CO -0.05 0.30 -0.08 0.99 -1.11 0.00 0.00 175.55 175.60 1jxf s THR 80 N -1.49 1.39 -0.07 -0.71 2.01 -1.26 -0.39 115.64 115.12 1jxf s THR 80 Ca 0.46 -0.80 0.04 0.00 0.31 0.00 0.00 61.69 61.71 1jxf s THR 80 Cb -0.20 -1.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.80 1jxf s THR 80 CO 0.25 0.18 -0.19 -0.72 -0.69 0.00 0.00 174.62 173.45 1jxf s TYR 81 N 1.51 2.61 0.33 4.92 1.13 -0.93 -2.25 117.35 124.67 1jxf s TYR 81 Ca 0.00 -0.54 0.05 0.00 -1.41 0.00 0.00 57.07 55.17 1jxf s TYR 81 Cb -0.15 -1.67 -0.02 0.00 -1.10 0.00 0.00 41.96 39.02 1jxf s TYR 81 CO -0.08 -0.10 0.34 2.48 -2.51 0.00 0.00 175.55 175.68 1jxf n TYR 82 N 2.89 -0.99 -2.90 -3.49 0.18 -1.14 -0.77 117.16 110.94 1jxf n TYR 82 Ca -0.17 -2.58 -0.42 0.00 1.88 0.00 0.00 57.90 56.60 1jxf n TYR 82 Cb 0.52 0.37 -0.04 0.00 -0.38 0.00 0.00 39.34 39.80 1jxf n TYR 82 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1jxf n GLU 84 N 6.10 -0.18 -0.03 0.00 1.02 -1.26 0.19 120.64 126.48 1jxf n GLU 84 Ca 0.05 1.29 -0.15 0.00 -0.02 0.00 0.00 57.16 58.34 1jxf n GLU 84 Cb 0.48 -1.92 -0.11 0.00 -0.02 0.00 0.00 31.44 29.87 1jxf n GLU 84 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1jxf h PRO 85 N 0.00 0.13 -2.13 3.49 0.13 -1.98 -3.30 132.00 128.34 1jxf h PRO 85 Ca 0.30 -0.13 -0.69 0.00 -0.87 0.00 0.00 66.00 64.61 1jxf h PRO 85 Cb 0.51 0.03 -0.22 0.00 0.13 0.00 0.00 31.00 31.46 1jxf h PRO 85 CO -0.84 0.85 1.03 0.72 -0.23 0.00 0.00 178.00 179.54 1jxf n HIS 86 N -4.58 2.46 -1.28 1.56 8.25 0.29 -4.78 115.22 117.14 1jxf n HIS 86 Ca -0.09 -2.31 -0.25 0.00 -0.26 0.00 0.00 57.72 54.81 1jxf n HIS 86 Cb 0.45 -1.34 -0.09 0.00 1.12 0.00 0.00 29.99 30.13 1jxf n HIS 86 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1jxf n ARG 87 N 0.29 2.83 0.00 -0.41 1.85 0.51 -3.44 116.66 118.29 1jxf n ARG 87 Ca 0.52 -1.83 0.00 0.00 -1.00 0.00 0.00 57.85 55.54 1jxf n ARG 87 Cb 0.34 -2.32 0.00 0.00 -1.05 0.00 0.00 32.46 29.43 1jxf n ARG 87 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1jxf n GLY 88 N 2.44 0.56 0.53 2.89 0.00 -1.26 -4.97 105.19 105.38 1jxf n GLY 88 Ca 0.56 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.58 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 0.00 2.94 0.00 4.61 0.00 -1.25 -4.91 120.51 121.90 1jxf n ALA 89 Ca 0.00 -2.80 0.00 0.00 0.00 0.00 0.00 53.44 50.64 1jxf n ALA 89 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.94 1.72 3.37 0.00 0.00 -1.26 -5.06 105.19 103.01 1jxf n GLY 90 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.11 3.47 0.20 1.61 0.00 -1.26 -4.93 119.30 118.29 1jxf s MET 91 Ca 0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 55.69 55.04 1jxf s MET 91 Cb 0.00 -3.15 -0.02 0.00 0.00 0.00 0.00 34.83 31.66 1jxf s MET 91 CO 0.00 -0.21 0.29 0.08 0.00 0.00 0.00 175.02 175.18 1jxf s VAL 92 N 1.53 0.03 -0.03 5.16 1.01 -1.26 -4.17 120.40 122.67 1jxf s VAL 92 Ca 0.06 -1.61 0.02 0.00 0.00 0.00 0.00 61.98 60.44 1jxf s VAL 92 Cb -0.15 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.06 1jxf s VAL 92 CO -0.00 -0.11 -0.07 -0.83 0.00 0.00 0.00 175.10 174.08 1jxf s GLY 93 N -3.05 0.49 -0.13 4.51 0.00 0.05 -4.53 107.32 104.66 1jxf s GLY 93 Ca 0.26 -0.22 -0.00 0.00 0.00 0.00 0.00 44.72 44.76 1jxf s GLY 93 CO 0.07 0.11 -0.09 1.25 0.00 0.00 0.00 173.10 174.44 1jxf s LYS 94 N 0.46 1.69 0.01 2.90 2.20 -0.29 -2.18 119.74 124.53 1jxf s LYS 94 Ca -0.07 -0.36 0.03 0.00 -0.36 0.00 0.00 55.97 55.21 1jxf s LYS 94 Cb -0.11 -1.76 -0.04 0.00 -1.51 0.00 0.00 37.83 34.42 1jxf s LYS 94 CO 0.01 -0.28 -0.03 0.08 -0.36 0.00 0.00 175.35 174.76 1jxf s VAL 95 N 1.65 3.89 -0.23 4.02 1.01 0.48 -2.97 120.40 128.26 1jxf s VAL 95 Ca 0.04 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 1jxf s VAL 95 Cb -0.13 -2.73 0.08 0.00 0.00 0.00 0.00 36.38 33.61 1jxf s VAL 95 CO -0.09 0.36 0.12 -0.69 0.00 0.00 0.00 175.10 174.81 1jxf s VAL 96 N -1.06 -0.11 0.13 2.92 1.01 -1.09 -2.68 120.40 119.51 1jxf s VAL 96 Ca 0.19 -0.42 -0.20 0.00 0.00 0.00 0.00 61.98 61.55 1jxf s VAL 96 Cb -0.11 -0.77 -0.07 0.00 0.00 0.00 0.00 36.38 35.43 1jxf s VAL 96 CO 0.10 -0.47 0.63 -0.69 0.00 0.00 0.00 175.10 174.67 1jxf s VAL 97 N 2.14 4.65 0.00 2.92 1.01 -1.03 -3.46 120.40 126.63 1jxf s VAL 97 Ca 0.06 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.31 1jxf s VAL 97 Cb -0.16 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1jxf s VAL 97 CO -0.22 0.45 0.10 -0.67 0.00 0.00 0.00 175.10 174.77