#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 4.73 0.45 0.00 2.20 -1.26 -5.02 114.94 116.03 1jxf s ASN 2 Ca 0.00 -0.72 -0.22 0.00 -0.94 0.00 0.00 52.86 50.98 1jxf s ASN 2 Cb 0.00 0.30 -0.09 0.00 -2.00 0.00 0.00 41.25 39.46 1jxf s ASN 2 CO 0.00 -1.62 1.04 0.00 -2.94 0.00 0.00 177.10 173.59 1jxf s ALA 3 N -2.88 2.97 -0.06 3.54 0.00 -0.87 -4.91 121.76 119.55 1jxf s ALA 3 Ca 0.64 0.64 0.02 0.00 0.00 0.00 0.00 51.96 53.27 1jxf s ALA 3 Cb -0.05 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 19.83 1jxf s ALA 3 CO 0.42 -0.26 -0.10 0.99 0.00 0.00 0.00 175.76 176.81 1jxf s THR 4 N -1.84 0.97 0.11 0.00 2.01 -1.26 -0.16 115.64 115.47 1jxf s THR 4 Ca 0.63 -0.38 0.04 0.00 0.31 0.00 0.00 61.69 62.29 1jxf s THR 4 Cb -0.19 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 1jxf s THR 4 CO 0.23 0.32 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.69 1jxf s VAL 5 N 0.73 0.98 -0.10 3.82 1.01 0.11 -4.46 120.40 122.49 1jxf s VAL 5 Ca -0.14 -1.73 0.02 0.00 0.00 0.00 0.00 61.98 60.13 1jxf s VAL 5 Cb -0.15 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.77 1jxf s VAL 5 CO 0.03 -0.60 -0.13 -1.59 0.00 0.00 0.00 175.10 172.80 1jxf s LYS 6 N -3.01 1.98 -0.48 2.72 -2.85 -0.08 -0.71 119.74 117.32 1jxf s LYS 6 Ca 0.08 -0.48 -0.06 0.00 -1.00 0.00 0.00 55.97 54.50 1jxf s LYS 6 Cb -0.02 -1.70 -0.19 0.00 -2.06 0.00 0.00 37.83 33.86 1jxf s LYS 6 CO -0.00 -0.05 3.09 0.00 0.10 0.00 0.00 175.35 178.49 1jxf n MET 7 N 4.16 2.27 0.00 1.78 0.00 -0.51 -3.41 117.12 121.40 1jxf n MET 7 Ca -0.19 -1.25 0.00 0.00 0.00 0.00 0.00 57.70 56.25 1jxf n MET 7 Cb 0.51 -2.19 0.00 0.00 0.00 0.00 0.00 33.22 31.54 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 2.91 4.43 3.04 3.17 0.00 -1.20 -4.36 105.19 113.19 1jxf n GLY 8 Ca 0.49 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 -4.88 -3.63 1.61 7.64 -0.90 -4.62 113.62 108.84 1jxf n SER 9 Ca 0.00 0.14 -0.42 0.00 1.01 0.00 0.00 58.87 59.60 1jxf n SER 9 Cb 0.00 -0.74 -0.03 0.00 -1.01 0.00 0.00 64.21 62.43 1jxf n SER 9 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1jxf n ASP 10 N 2.93 3.26 -2.00 6.43 5.75 -1.26 -4.19 116.55 127.46 1jxf n ASP 10 Ca -0.01 -2.72 -0.02 0.00 -0.01 0.00 0.00 54.79 52.03 1jxf n ASP 10 Cb 0.61 -1.32 -0.01 0.00 -1.03 0.00 0.00 41.12 39.36 1jxf n ASP 10 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1jxf n SER 11 N 6.74 -2.48 0.00 -1.12 2.88 -1.26 -5.00 113.62 113.37 1jxf n SER 11 Ca 0.51 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 1jxf n SER 11 Cb 0.38 -2.90 0.00 0.00 -0.75 0.00 0.00 64.21 60.94 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 0.59 -1.86 3.23 0.46 0.00 -1.26 -5.08 105.19 101.27 1jxf n GLY 12 Ca -0.12 0.63 -0.09 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.39 0.11 -0.71 4.61 0.00 -1.26 -5.02 121.76 119.09 1jxf s ALA 13 Ca 0.00 -0.91 -0.26 0.00 0.00 0.00 0.00 51.96 50.79 1jxf s ALA 13 Cb 0.00 0.64 0.04 0.00 0.00 0.00 0.00 23.12 23.80 1jxf s ALA 13 CO 0.00 -0.53 1.19 -0.48 0.00 0.00 0.00 175.76 175.93 1jxf s LEU 14 N -2.93 3.52 -0.06 0.00 2.34 -1.26 -2.12 118.68 118.17 1jxf s LEU 14 Ca 0.12 -0.60 -0.04 0.00 0.06 0.00 0.00 54.13 53.67 1jxf s LEU 14 Cb 0.05 -2.53 0.03 0.00 -0.56 0.00 0.00 46.19 43.18 1jxf s LEU 14 CO -0.05 -1.72 0.14 0.68 -1.06 0.00 0.00 176.35 174.34 1jxf s VAL 15 N 5.24 -0.03 -0.17 1.48 -7.23 -1.26 -4.77 120.40 113.65 1jxf s VAL 15 Ca 0.31 0.10 -0.29 0.00 -1.81 0.00 0.00 61.98 60.29 1jxf s VAL 15 Cb -0.11 -0.22 -0.01 0.00 0.56 0.00 0.00 36.38 36.60 1jxf s VAL 15 CO 0.14 0.04 1.20 -0.36 -0.31 0.00 0.00 175.10 175.81 1jxf s PHE 16 N 0.70 3.01 -0.06 2.82 0.08 -1.26 -2.81 117.98 120.46 1jxf s PHE 16 Ca -0.05 1.15 -0.03 0.00 0.12 0.00 0.00 56.93 58.12 1jxf s PHE 16 Cb -0.07 -3.44 0.03 0.00 -0.57 0.00 0.00 43.02 38.98 1jxf s PHE 16 CO -0.03 -1.35 0.13 -2.00 -0.10 0.00 0.00 175.22 171.86 1jxf s GLU 17 N 3.28 0.08 0.17 0.44 2.56 -1.22 -1.83 118.70 122.18 1jxf s GLU 17 Ca 0.52 0.33 -0.30 0.00 0.00 0.00 0.00 54.97 55.52 1jxf s GLU 17 Cb -0.20 -0.16 -0.07 0.00 2.00 0.00 0.00 34.13 35.69 1jxf s GLU 17 CO 0.13 -0.15 1.12 -1.25 -0.56 0.00 0.00 175.26 174.56 1jxf s PRO 18 N 1.05 4.56 0.50 4.30 0.04 -1.26 -0.90 135.00 143.29 1jxf s PRO 18 Ca -0.08 1.75 0.25 0.00 0.04 0.00 0.00 61.00 62.96 1jxf s PRO 18 Cb -0.11 -3.28 1.33 0.00 0.04 0.00 0.00 34.50 32.49 1jxf s PRO 18 CO -0.05 0.02 1.93 0.66 0.04 0.00 0.00 177.00 179.60 1jxf h SER 19 N 5.26 0.11 -3.32 6.66 4.64 -1.69 -3.36 113.55 121.86 1jxf h SER 19 Ca -0.44 0.01 -0.53 0.00 -0.47 0.00 0.00 61.79 60.35 1jxf h SER 19 Cb 1.21 -0.01 -0.38 0.00 -0.31 0.00 0.00 62.40 62.91 1jxf h SER 19 CO 0.73 0.05 -0.78 -0.89 -0.87 0.00 0.00 176.83 175.07 1jxf s THR 20 N -5.11 0.93 -0.07 2.95 2.01 -1.26 -2.22 115.64 112.87 1jxf s THR 20 Ca -0.06 -0.54 0.05 0.00 0.31 0.00 0.00 61.69 61.46 1jxf s THR 20 Cb 0.21 -1.16 -0.01 0.00 0.01 0.00 0.00 72.50 71.54 1jxf s THR 20 CO 0.76 0.08 -0.23 0.68 -0.69 0.00 0.00 174.62 175.22 1jxf s VAL 21 N 1.71 2.20 -0.21 3.82 -7.23 -1.22 -5.05 120.40 114.40 1jxf s VAL 21 Ca 0.01 -1.01 -0.02 0.00 -1.81 0.00 0.00 61.98 59.15 1jxf s VAL 21 Cb -0.15 -1.81 0.06 0.00 0.56 0.00 0.00 36.38 35.04 1jxf s VAL 21 CO -0.07 0.57 0.03 -0.89 -0.31 0.00 0.00 175.10 174.42 1jxf s THR 22 N -0.11 0.68 0.54 5.32 2.01 -1.26 -2.52 115.64 120.30 1jxf s THR 22 Ca -0.05 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 61.25 1jxf s THR 22 Cb -0.14 -1.19 0.03 0.00 0.01 0.00 0.00 72.50 71.20 1jxf s THR 22 CO 0.04 -0.25 0.23 2.30 -0.69 0.00 0.00 174.62 176.25 1jxf n ILE 23 N 4.98 0.00 -1.51 1.82 -5.35 -1.21 -5.04 119.36 113.04 1jxf n ILE 23 Ca -0.09 -2.33 -0.30 0.00 -0.27 0.00 0.00 62.75 59.76 1jxf n ILE 23 Cb 0.46 0.21 0.23 0.00 -1.74 0.00 0.00 39.64 38.80 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 -4.11 -0.52 -0.84 6.28 1.02 -1.26 -2.83 119.74 117.49 1jxf s LYS 24 Ca 0.17 -0.34 -0.16 0.00 0.02 0.00 0.00 55.97 55.67 1jxf s LYS 24 Cb -0.01 -1.70 0.19 0.00 -0.52 0.00 0.00 37.83 35.78 1jxf s LYS 24 CO 0.11 -3.20 0.86 0.00 -0.92 0.00 0.00 175.35 172.20 1jxf s ALA 25 N -3.49 3.84 0.00 5.17 0.00 -1.26 -3.82 121.76 122.20 1jxf s ALA 25 Ca 0.74 -3.09 0.00 0.00 0.00 0.00 0.00 51.96 49.61 1jxf s ALA 25 Cb -0.05 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1jxf s ALA 25 CO 0.55 -2.47 0.00 0.41 0.00 0.00 0.00 175.76 174.24 1jxf n GLY 26 N 4.50 0.68 3.81 0.00 0.00 0.14 -4.82 105.19 109.50 1jxf n GLY 26 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 0.37 0.52 1.61 2.56 -1.24 -4.65 118.70 117.87 1jxf s GLU 27 Ca 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 54.97 54.86 1jxf s GLU 27 Cb 0.00 -1.79 0.00 0.00 2.00 0.00 0.00 34.13 34.34 1jxf s GLU 27 CO 0.00 -2.64 0.13 -1.21 -0.56 0.00 0.00 175.26 170.98 1jxf s GLU 28 N -5.62 2.21 -0.19 4.30 8.01 -1.26 0.35 118.70 126.51 1jxf s GLU 28 Ca 0.70 -2.26 -0.04 0.00 0.01 0.00 0.00 54.97 53.38 1jxf s GLU 28 Cb -0.08 -1.73 0.06 0.00 -4.31 0.00 0.00 34.13 28.07 1jxf s GLU 28 CO 0.53 -0.43 0.07 0.08 0.01 0.00 0.00 175.26 175.53 1jxf s VAL 29 N -2.83 0.13 -0.20 2.63 1.01 0.40 -2.05 120.40 119.49 1jxf s VAL 29 Ca 0.16 -0.34 -0.19 0.00 0.00 0.00 0.00 61.98 61.61 1jxf s VAL 29 Cb 0.01 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 1jxf s VAL 29 CO 0.10 -0.28 0.56 -0.75 0.00 0.00 0.00 175.10 174.73 1jxf s LYS 30 N 2.04 4.20 0.47 2.72 2.20 0.78 -1.95 119.74 130.20 1jxf s LYS 30 Ca 0.01 0.50 0.05 0.00 -0.36 0.00 0.00 55.97 56.17 1jxf s LYS 30 Cb -0.16 -3.57 0.02 0.00 -1.51 0.00 0.00 37.83 32.61 1jxf s LYS 30 CO -0.10 -0.18 0.66 -1.58 -0.36 0.00 0.00 175.35 173.78 1jxf s TRP 31 N 1.73 2.88 -0.09 4.03 0.51 0.21 -0.71 118.94 127.49 1jxf s TRP 31 Ca 0.26 -0.18 -0.05 0.00 -2.12 0.00 0.00 56.10 54.01 1jxf s TRP 31 Cb -0.16 -2.51 0.04 0.00 -0.81 0.00 0.00 33.47 30.03 1jxf s TRP 31 CO 0.10 -0.58 0.21 0.08 -0.51 0.00 0.00 176.95 176.25 1jxf s VAL 32 N -2.53 -0.04 0.28 4.03 1.01 0.12 -3.84 120.40 119.43 1jxf s VAL 32 Ca 0.55 0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.37 1jxf s VAL 32 Cb -0.10 -0.33 -0.10 0.00 0.00 0.00 0.00 36.38 35.86 1jxf s VAL 32 CO 0.35 0.06 1.09 0.21 0.00 0.00 0.00 175.10 176.81 1jxf s ASN 33 N 1.07 7.28 0.00 3.32 2.47 -1.22 -1.43 114.94 126.42 1jxf s ASN 33 Ca -0.08 2.24 0.00 0.00 0.42 0.00 0.00 52.86 55.44 1jxf s ASN 33 Cb -0.09 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.08 1jxf s ASN 33 CO -0.07 -0.13 0.00 -3.20 -3.72 0.00 0.00 177.10 169.98 1jxf n ASN 34 N 1.17 0.53 -3.74 -4.21 2.85 -1.26 -4.75 115.26 105.84 1jxf n ASN 34 Ca -0.01 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.17 1jxf n ASN 34 Cb 0.45 0.00 0.21 0.00 1.24 0.00 0.00 39.78 41.68 1jxf n ASN 34 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1jxf n LYS 35 N 0.00 -1.86 -1.54 1.20 4.76 -1.26 -4.22 118.16 115.24 1jxf n LYS 35 Ca 0.00 -1.91 -0.08 0.00 -2.87 0.00 0.00 58.31 53.45 1jxf n LYS 35 Cb 0.00 -1.42 -0.03 0.00 -1.84 0.00 0.00 35.03 31.75 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 -0.85 -4.84 -0.35 7.99 -1.26 -4.74 117.00 112.95 1jxf n LEU 36 Ca 0.16 0.14 -0.30 0.00 -0.01 0.00 0.00 56.01 55.99 1jxf n LEU 36 Cb 0.57 -1.45 0.07 0.00 -0.11 0.00 0.00 43.42 42.50 1jxf n LEU 36 CO 0.41 -0.32 0.73 -0.44 -1.51 0.00 0.00 177.39 176.25 1jxf s SER 37 N -2.82 4.88 0.71 -1.43 0.01 -1.26 -4.50 113.70 109.29 1jxf s SER 37 Ca 0.00 1.24 -0.11 0.00 1.31 0.00 0.00 55.95 58.40 1jxf s SER 37 Cb 0.00 -2.01 0.02 0.00 0.21 0.00 0.00 66.02 64.24 1jxf s SER 37 CO 0.00 -1.71 1.06 -2.16 0.41 0.00 0.00 173.24 170.84 1jxf s PRO 38 N -5.23 2.83 0.11 12.44 0.04 -1.26 -5.10 135.00 138.83 1jxf s PRO 38 Ca 0.60 0.91 0.04 0.00 0.04 0.00 0.00 61.00 62.59 1jxf s PRO 38 Cb -0.13 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1jxf s PRO 38 CO 0.53 -1.16 -0.11 -1.01 0.04 0.00 0.00 177.00 175.29 1jxf s HIS 39 N -3.06 1.20 0.24 0.56 3.76 -1.21 -4.92 115.29 111.85 1jxf s HIS 39 Ca 0.58 -0.65 0.01 0.00 -0.15 0.00 0.00 55.06 54.85 1jxf s HIS 39 Cb -0.14 -0.63 -0.05 0.00 1.11 0.00 0.00 32.58 32.87 1jxf s HIS 39 CO 0.55 0.06 0.10 -0.80 -0.85 0.00 0.00 174.74 173.80 1jxf s ASN 40 N -2.60 0.93 -0.29 1.40 -0.87 -1.26 -2.58 114.94 109.67 1jxf s ASN 40 Ca 0.09 -1.37 -0.03 0.00 -1.57 0.00 0.00 52.86 49.97 1jxf s ASN 40 Cb -0.02 0.21 0.11 0.00 -0.02 0.00 0.00 41.25 41.53 1jxf s ASN 40 CO 0.01 -0.75 0.18 -0.63 -2.57 0.00 0.00 177.10 173.34 1jxf s ILE 41 N -3.85 -0.15 -0.13 0.60 1.01 -1.04 -4.49 121.20 113.15 1jxf s ILE 41 Ca 0.37 -0.75 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 1jxf s ILE 41 Cb 0.08 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.54 1jxf s ILE 41 CO 0.13 -0.68 -0.11 0.68 0.00 0.00 0.00 174.94 174.96 1jxf s VAL 42 N 2.10 3.25 -0.49 2.92 -7.23 -1.16 0.79 120.40 120.58 1jxf s VAL 42 Ca 0.10 -0.59 -0.12 0.00 -1.81 0.00 0.00 61.98 59.55 1jxf s VAL 42 Cb -0.16 -2.37 0.12 0.00 0.56 0.00 0.00 36.38 34.52 1jxf s VAL 42 CO -0.33 0.52 0.39 -0.36 -0.31 0.00 0.00 175.10 175.01 1jxf s PHE 43 N 0.28 3.35 0.02 2.82 0.08 -1.26 -2.08 117.98 121.20 1jxf s PHE 43 Ca -0.08 -1.59 -0.30 0.00 0.12 0.00 0.00 56.93 55.08 1jxf s PHE 43 Cb -0.15 -3.53 -0.04 0.00 -0.57 0.00 0.00 43.02 38.73 1jxf s PHE 43 CO 0.05 -0.98 1.09 0.00 -0.10 0.00 0.00 175.22 175.28 1jxf s ALA 44 N 1.46 3.28 -0.85 5.36 0.00 -0.95 -4.38 121.76 125.69 1jxf s ALA 44 Ca 0.04 0.68 -0.20 0.00 0.00 0.00 0.00 51.96 52.48 1jxf s ALA 44 Cb -0.27 -3.40 -0.21 0.00 0.00 0.00 0.00 23.12 19.25 1jxf s ALA 44 CO 0.01 -0.35 2.34 0.00 0.00 0.00 0.00 175.76 177.77 1jxf n ALA 45 N 3.98 0.65 -3.90 0.00 0.00 -1.26 -4.15 120.51 115.82 1jxf n ALA 45 Ca 0.08 -1.09 -0.29 0.00 0.00 0.00 0.00 53.44 52.13 1jxf n ALA 45 Cb 0.49 -2.91 -0.13 0.00 0.00 0.00 0.00 19.45 16.89 1jxf n ALA 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jxf s ASP 46 N 7.14 4.45 0.00 0.00 1.01 -1.26 -4.68 116.67 123.33 1jxf s ASP 46 Ca 1.10 -3.40 0.00 0.00 0.71 0.00 0.00 52.55 50.96 1jxf s ASP 46 Cb -0.45 -1.58 0.00 0.00 1.01 0.00 0.00 42.92 41.90 1jxf s ASP 46 CO 0.29 -0.16 0.00 0.61 0.21 0.00 0.00 175.17 176.12 1jxf n GLY 47 N 2.58 3.45 3.42 0.21 0.00 -1.26 -4.33 105.19 109.27 1jxf n GLY 47 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.00 0.00 -1.49 1.61 3.14 -1.22 -4.58 118.33 113.80 1jxf n VAL 48 Ca 0.00 -2.01 -0.29 0.00 -2.96 0.00 0.00 64.34 59.07 1jxf n VAL 48 Cb 0.00 0.02 0.12 0.00 -1.06 0.00 0.00 33.84 32.91 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 -3.86 3.94 -0.08 6.55 1.01 -1.26 -4.79 116.67 118.17 1jxf s ASP 49 Ca 0.23 1.20 -0.10 0.00 0.71 0.00 0.00 52.55 54.59 1jxf s ASP 49 Cb -0.02 -1.87 -0.08 0.00 1.01 0.00 0.00 42.92 41.97 1jxf s ASP 49 CO 0.15 -2.31 0.37 0.00 0.21 0.00 0.00 175.17 173.59 1jxf h ALA 50 N -1.32 -0.16 0.14 5.23 0.00 -1.97 -2.40 119.26 118.77 1jxf h ALA 50 Ca -0.49 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.30 1jxf h ALA 50 Cb 1.30 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1jxf h ALA 50 CO 0.60 -0.16 -0.38 -0.44 0.00 0.00 0.00 179.25 178.86 1jxf h ASP 51 N -1.01 -1.14 -0.65 0.00 3.32 -1.96 0.27 116.42 115.25 1jxf h ASP 51 Ca -0.02 0.11 0.12 0.00 0.02 0.00 0.00 57.03 57.27 1jxf h ASP 51 Cb 0.30 0.41 -0.12 0.00 0.22 0.00 0.00 39.33 40.14 1jxf h ASP 51 CO 0.03 -0.42 -0.26 0.74 -1.72 0.00 0.00 179.24 177.60 1jxf h THR 52 N -0.59 0.23 -0.91 0.35 2.02 -1.98 0.70 112.91 112.74 1jxf h THR 52 Ca -0.01 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.30 1jxf h THR 52 Cb 0.57 0.23 -0.09 0.00 -1.74 0.00 0.00 68.15 67.12 1jxf h THR 52 CO -0.18 0.00 0.52 0.00 0.37 0.00 0.00 175.52 176.23 1jxf h ALA 53 N 1.33 1.37 0.00 6.16 0.00 -0.86 1.46 119.26 128.73 1jxf h ALA 53 Ca 0.28 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1jxf h ALA 53 Cb 0.54 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1jxf h ALA 53 CO -0.71 0.04 0.00 0.00 0.00 0.00 0.00 179.25 178.58 1jxf n ALA 54 N -2.38 2.57 -0.08 0.00 0.00 0.21 -1.86 120.51 118.97 1jxf n ALA 54 Ca 0.18 -0.17 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1jxf n ALA 54 Cb 0.40 -1.45 -0.12 0.00 0.00 0.00 0.00 19.45 18.28 1jxf n ALA 54 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1jxf h LYS 55 N 0.00 0.00 -0.01 0.00 3.64 0.54 -3.32 116.57 117.42 1jxf h LYS 55 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jxf h LYS 55 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1jxf h LYS 55 CO 0.00 0.97 -0.09 1.47 -2.27 0.00 0.00 179.45 179.53 1jxf n LEU 56 N -4.58 1.32 -4.75 5.20 -0.00 -1.05 -4.81 117.00 108.33 1jxf n LEU 56 Ca -0.14 -0.41 -0.30 0.00 -0.00 0.00 0.00 56.01 55.16 1jxf n LEU 56 Cb 0.51 -0.05 0.13 0.00 -0.00 0.00 0.00 43.42 44.01 1jxf n LEU 56 CO 0.30 0.23 0.69 -0.94 -0.00 0.00 0.00 177.39 177.66 1jxf s SER 57 N -2.18 3.72 -0.29 1.45 1.04 -0.78 -4.70 113.70 111.96 1jxf s SER 57 Ca 0.33 1.32 -0.01 0.00 0.48 0.00 0.00 55.95 58.07 1jxf s SER 57 Cb 0.20 -2.00 0.13 0.00 0.10 0.00 0.00 66.02 64.45 1jxf s SER 57 CO 0.40 -2.46 0.25 -1.00 0.98 0.00 0.00 173.24 171.42 1jxf s HIS 58 N -3.06 -0.25 -0.70 5.02 3.76 0.24 -4.97 115.29 115.33 1jxf s HIS 58 Ca 0.63 -0.38 -0.02 0.00 -0.15 0.00 0.00 55.06 55.13 1jxf s HIS 58 Cb -0.16 -0.58 0.30 0.00 1.11 0.00 0.00 32.58 33.25 1jxf s HIS 58 CO 0.56 -0.90 2.18 1.63 -0.85 0.00 0.00 174.74 177.36 1jxf n LYS 59 N 5.25 2.61 0.00 1.40 5.02 -1.26 -2.48 118.16 128.70 1jxf n LYS 59 Ca -0.03 -3.11 0.00 0.00 -2.02 0.00 0.00 58.31 53.15 1jxf n LYS 59 Cb 0.45 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 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 -0.27 3.01 3.48 0.72 0.00 -1.26 -5.07 105.19 105.80 1jxf n GLY 60 Ca 0.53 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 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 0.56 -0.26 0.99 1.43 -1.26 -4.79 118.68 115.34 1jxf s LEU 61 Ca 0.00 -0.98 -0.03 0.00 -1.03 0.00 0.00 54.13 52.09 1jxf s LEU 61 Cb 0.00 1.45 0.10 0.00 0.03 0.00 0.00 46.19 47.78 1jxf s LEU 61 CO 0.00 -1.04 0.19 0.00 0.23 0.00 0.00 176.35 175.72 1jxf s ALA 62 N -4.03 0.14 -0.02 4.21 0.00 -1.06 -4.92 121.76 116.07 1jxf s ALA 62 Ca 0.24 -0.55 -0.01 0.00 0.00 0.00 0.00 51.96 51.63 1jxf s ALA 62 Cb 0.01 -1.46 -0.01 0.00 0.00 0.00 0.00 23.12 21.66 1jxf s ALA 62 CO 0.07 -1.54 -0.03 1.19 0.00 0.00 0.00 175.76 175.46 1jxf n PHE 63 N 5.28 0.00 -2.73 0.00 3.01 -1.26 -3.35 117.46 118.42 1jxf n PHE 63 Ca -0.05 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.00 1jxf n PHE 63 Cb 0.45 -0.08 -0.04 0.00 -0.01 0.00 0.00 39.48 39.80 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 -2.04 3.21 -1.01 4.37 0.00 -1.26 -4.96 121.76 120.07 1jxf s ALA 64 Ca -0.03 0.56 -0.23 0.00 0.00 0.00 0.00 51.96 52.25 1jxf s ALA 64 Cb 0.01 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.87 1jxf s ALA 64 CO 0.04 -0.11 1.55 0.00 0.00 0.00 0.00 175.76 177.24 1jxf s ALA 65 N 0.41 2.55 0.00 0.00 0.00 -1.26 -2.95 121.76 120.50 1jxf s ALA 65 Ca 0.49 -2.16 0.00 0.00 0.00 0.00 0.00 51.96 50.29 1jxf s ALA 65 Cb -0.22 -4.54 0.00 0.00 0.00 0.00 0.00 23.12 18.36 1jxf s ALA 65 CO 0.29 -3.83 0.00 0.41 0.00 0.00 0.00 175.76 172.63 1jxf n GLY 66 N 6.82 0.32 3.73 0.00 0.00 -1.26 -5.11 105.19 109.68 1jxf n GLY 66 Ca 0.35 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 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 4.51 0.30 1.61 0.41 -1.15 -4.90 118.70 119.47 1jxf s GLU 67 Ca 0.00 1.75 0.02 0.00 -0.41 0.00 0.00 54.97 56.34 1jxf s GLU 67 Cb 0.00 -3.31 -0.04 0.00 -1.78 0.00 0.00 34.13 29.00 1jxf s GLU 67 CO 0.00 -0.09 0.12 0.45 -0.49 0.00 0.00 175.26 175.25 1jxf s SER 68 N 0.44 1.59 0.31 -0.19 0.15 -1.26 -3.46 113.70 111.28 1jxf s SER 68 Ca 0.54 -1.48 0.07 0.00 0.70 0.00 0.00 55.95 55.78 1jxf s SER 68 Cb -0.30 0.26 -0.06 0.00 -1.71 0.00 0.00 66.02 64.21 1jxf s SER 68 CO 0.33 -0.80 -0.05 -0.36 1.20 0.00 0.00 173.24 173.56 1jxf s PHE 69 N -3.60 2.13 0.04 3.44 0.08 -1.25 -4.98 117.98 113.84 1jxf s PHE 69 Ca 0.36 -0.66 0.02 0.00 0.12 0.00 0.00 56.93 56.76 1jxf s PHE 69 Cb 0.06 -1.26 -0.03 0.00 -0.57 0.00 0.00 43.02 41.23 1jxf s PHE 69 CO 0.15 0.36 -0.07 0.99 -0.10 0.00 0.00 175.22 176.55 1jxf s THR 70 N -2.90 0.47 0.04 0.64 2.01 -1.26 -0.62 115.64 114.03 1jxf s THR 70 Ca 0.31 -1.16 -0.06 0.00 0.31 0.00 0.00 61.69 61.10 1jxf s THR 70 Cb 0.04 -0.69 -0.01 0.00 0.01 0.00 0.00 72.50 71.85 1jxf s THR 70 CO 0.14 -0.47 0.10 -0.94 -0.69 0.00 0.00 174.62 172.76 1jxf s SER 71 N -1.75 0.19 -0.24 3.53 1.04 -0.82 -4.93 113.70 110.72 1jxf s SER 71 Ca -0.08 -0.58 -0.02 0.00 0.48 0.00 0.00 55.95 55.75 1jxf s SER 71 Cb -0.08 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.30 1jxf s SER 71 CO -0.01 -0.54 -0.06 -0.89 0.98 0.00 0.00 173.24 172.72 1jxf s THR 72 N -2.87 2.91 -1.09 2.02 2.01 -1.26 -0.45 115.64 116.92 1jxf s THR 72 Ca -0.03 -0.95 -0.04 0.00 0.31 0.00 0.00 61.69 60.98 1jxf s THR 72 Cb 0.00 -2.45 0.30 0.00 0.01 0.00 0.00 72.50 70.36 1jxf s THR 72 CO -0.06 0.24 1.64 0.49 -0.69 0.00 0.00 174.62 176.24 1jxf n PHE 73 N 4.69 2.43 -0.08 4.92 3.01 0.16 -4.69 117.46 127.88 1jxf n PHE 73 Ca -0.17 -2.58 -0.14 0.00 1.01 0.00 0.00 57.45 55.57 1jxf n PHE 73 Cb 0.48 -1.30 -0.08 0.00 -0.01 0.00 0.00 39.48 38.57 1jxf n PHE 73 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jxf h THR 74 N 3.07 0.78 -2.56 4.37 1.03 -1.83 0.40 112.91 118.16 1jxf h THR 74 Ca 0.33 -1.80 -0.55 0.00 -0.01 0.00 0.00 66.41 64.38 1jxf h THR 74 Cb 0.52 1.69 -0.00 0.00 -1.07 0.00 0.00 68.15 69.29 1jxf h THR 74 CO 1.32 0.26 1.12 -0.70 -0.01 0.00 0.00 175.52 177.51 1jxf s GLU 75 N -2.21 4.14 -0.65 0.00 2.56 -1.26 -4.00 118.70 117.29 1jxf s GLU 75 Ca -0.20 2.24 -0.27 0.00 0.00 0.00 0.00 54.97 56.74 1jxf s GLU 75 Cb 0.02 -4.03 0.01 0.00 2.00 0.00 0.00 34.13 32.13 1jxf s GLU 75 CO 0.46 -0.91 1.54 -1.25 -0.56 0.00 0.00 175.26 174.54 1jxf s PRO 76 N 4.18 2.99 0.00 4.30 0.04 -1.26 -4.82 135.00 140.44 1jxf s PRO 76 Ca 0.76 0.27 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1jxf s PRO 76 Cb -0.35 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 29.94 1jxf s PRO 76 CO 0.32 -2.33 0.00 0.41 0.04 0.00 0.00 177.00 175.44 1jxf n GLY 77 N 5.48 4.19 2.65 0.56 0.00 -1.26 -4.99 105.19 111.82 1jxf n GLY 77 Ca 0.12 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 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 0.12 -0.15 -0.09 2.61 2.01 -1.26 -2.74 115.64 116.14 1jxf s THR 78 Ca 0.00 -0.11 -0.01 0.00 0.31 0.00 0.00 61.69 61.88 1jxf s THR 78 Cb 0.00 -0.57 -0.03 0.00 0.01 0.00 0.00 72.50 71.91 1jxf s THR 78 CO 0.00 -0.23 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.34 1jxf s TYR 79 N 2.19 3.02 -0.25 4.92 2.02 -1.02 -3.40 117.35 124.83 1jxf s TYR 79 Ca 0.03 0.01 0.02 0.00 -0.37 0.00 0.00 57.07 56.77 1jxf s TYR 79 Cb -0.16 -1.78 0.06 0.00 -0.40 0.00 0.00 41.96 39.68 1jxf s TYR 79 CO -0.09 0.30 -0.10 0.99 -1.57 0.00 0.00 175.55 175.08 1jxf s THR 80 N -0.62 2.01 -0.16 -0.71 2.01 -1.26 0.22 115.64 117.13 1jxf s THR 80 Ca 0.10 -1.51 -0.05 0.00 0.31 0.00 0.00 61.69 60.54 1jxf s THR 80 Cb -0.12 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 1jxf s THR 80 CO 0.02 -0.02 -0.00 -0.72 -0.69 0.00 0.00 174.62 173.20 1jxf s TYR 81 N 1.18 3.10 0.40 4.92 1.13 -1.10 -2.24 117.35 124.74 1jxf s TYR 81 Ca -0.08 -0.15 0.04 0.00 -1.41 0.00 0.00 57.07 55.47 1jxf s TYR 81 Cb -0.19 -1.98 -0.02 0.00 -1.10 0.00 0.00 41.96 38.66 1jxf s TYR 81 CO -0.06 0.05 0.16 2.48 -2.51 0.00 0.00 175.55 175.68 1jxf n TYR 82 N 3.45 0.03 -2.81 -3.49 0.18 -0.88 -0.79 117.16 112.85 1jxf n TYR 82 Ca -0.17 -2.64 -0.41 0.00 1.88 0.00 0.00 57.90 56.56 1jxf n TYR 82 Cb 0.52 0.03 -0.05 0.00 -0.38 0.00 0.00 39.34 39.46 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 5.32 -0.64 -0.05 0.00 4.81 -1.94 0.52 114.58 122.60 1jxf h GLU 84 Ca -0.44 0.04 -0.22 0.00 -0.13 0.00 0.00 59.36 58.62 1jxf h GLU 84 Cb 1.21 0.15 0.02 0.00 0.63 0.00 0.00 28.75 30.75 1jxf h GLU 84 CO 0.71 -0.38 -0.82 -1.00 -0.73 0.00 0.00 179.01 176.79 1jxf h PRO 85 N -0.77 0.64 -1.14 0.92 0.13 -1.96 -3.19 132.00 126.63 1jxf h PRO 85 Ca -0.07 -0.62 -0.52 0.00 -0.87 0.00 0.00 66.00 63.92 1jxf h PRO 85 Cb 0.56 0.16 -0.24 0.00 0.13 0.00 0.00 31.00 31.61 1jxf h PRO 85 CO 0.11 1.23 0.67 0.72 -0.23 0.00 0.00 178.00 180.50 1jxf n HIS 86 N -4.00 2.60 -1.99 1.56 8.25 -1.23 -4.92 115.22 115.48 1jxf n HIS 86 Ca -0.10 -2.38 -0.39 0.00 -0.26 0.00 0.00 57.72 54.59 1jxf n HIS 86 Cb 0.77 -1.16 -0.03 0.00 1.12 0.00 0.00 29.99 30.69 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 -3.00 2.73 0.00 -0.41 3.00 0.18 -1.58 118.95 119.86 1jxf s ARG 87 Ca 0.51 0.85 0.00 0.00 -1.00 0.00 0.00 55.73 56.09 1jxf s ARG 87 Cb 0.41 -4.36 0.00 0.00 0.00 0.00 0.00 34.95 30.99 1jxf s ARG 87 CO 0.02 -2.60 0.00 0.41 0.00 0.00 0.00 175.30 173.13 1jxf n GLY 88 N 5.67 0.54 0.19 8.12 0.00 -1.26 -4.93 105.19 113.51 1jxf n GLY 88 Ca 0.22 -0.85 0.08 0.00 0.00 0.00 0.00 46.02 45.47 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 0.87 0.00 4.61 0.00 -1.65 -3.46 119.26 119.63 1jxf h ALA 89 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1jxf h ALA 89 Cb 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1jxf h ALA 89 CO 0.00 0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.99 1jxf n GLY 90 N 0.86 1.03 3.54 0.00 0.00 -1.26 -5.11 105.19 104.25 1jxf n GLY 90 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 3.83 0.17 1.61 0.23 -1.26 -5.06 119.30 118.82 1jxf s MET 91 Ca 0.00 -0.39 -0.07 0.00 -1.03 0.00 0.00 55.69 54.20 1jxf s MET 91 Cb 0.00 -3.42 -0.02 0.00 -1.53 0.00 0.00 34.83 29.86 1jxf s MET 91 CO 0.00 -0.08 0.25 0.08 -2.03 0.00 0.00 175.02 173.23 1jxf s VAL 92 N 1.38 0.06 0.12 5.16 1.01 -1.26 -4.32 120.40 122.55 1jxf s VAL 92 Ca 0.06 -1.52 0.09 0.00 0.00 0.00 0.00 61.98 60.60 1jxf s VAL 92 Cb -0.15 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1jxf s VAL 92 CO 0.05 -0.29 -0.22 -0.83 0.00 0.00 0.00 175.10 173.82 1jxf s GLY 93 N -3.00 1.34 -0.27 4.51 0.00 0.03 -4.68 107.32 105.26 1jxf s GLY 93 Ca 0.20 -1.33 -0.02 0.00 0.00 0.00 0.00 44.72 43.57 1jxf s GLY 93 CO 0.02 -1.34 0.08 1.25 0.00 0.00 0.00 173.10 173.11 1jxf s LYS 94 N -2.07 0.60 0.18 2.90 2.20 -0.94 -2.71 119.74 119.89 1jxf s LYS 94 Ca 0.09 -0.75 -0.12 0.00 -0.36 0.00 0.00 55.97 54.83 1jxf s LYS 94 Cb -0.09 -1.87 -0.07 0.00 -1.51 0.00 0.00 37.83 34.28 1jxf s LYS 94 CO 0.05 -0.88 0.53 0.08 -0.36 0.00 0.00 175.35 174.78 1jxf s VAL 95 N 1.79 4.92 -0.14 4.02 1.01 0.13 -3.46 120.40 128.68 1jxf s VAL 95 Ca 0.06 0.62 -0.04 0.00 0.00 0.00 0.00 61.98 62.62 1jxf s VAL 95 Cb -0.17 -3.67 0.07 0.00 0.00 0.00 0.00 36.38 32.61 1jxf s VAL 95 CO -0.22 0.10 0.20 -0.69 0.00 0.00 0.00 175.10 174.49 1jxf s VAL 96 N -1.62 -0.31 -0.01 2.92 1.01 -1.05 -2.42 120.40 118.92 1jxf s VAL 96 Ca 0.42 0.16 -0.06 0.00 0.00 0.00 0.00 61.98 62.50 1jxf s VAL 96 Cb -0.13 -0.46 -0.05 0.00 0.00 0.00 0.00 36.38 35.74 1jxf s VAL 96 CO 0.20 0.01 0.24 -0.69 0.00 0.00 0.00 175.10 174.86 1jxf s VAL 97 N 2.33 5.35 0.00 2.92 1.01 -1.11 -3.34 120.40 127.55 1jxf s VAL 97 Ca 0.04 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1jxf s VAL 97 Cb -0.13 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1jxf s VAL 97 CO -0.09 0.39 0.33 -0.67 0.00 0.00 0.00 175.10 175.06