#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 7.29 0.57 0.00 4.22 -1.26 -4.60 114.94 121.16 1jxf s ASN 2 Ca 0.00 1.63 -0.16 0.00 -2.14 0.00 0.00 52.86 52.19 1jxf s ASN 2 Cb 0.00 -2.56 -0.05 0.00 1.28 0.00 0.00 41.25 39.92 1jxf s ASN 2 CO 0.00 -0.37 1.03 0.00 -2.04 0.00 0.00 177.10 175.72 1jxf s ALA 3 N 1.51 2.87 -0.13 3.54 0.00 -1.25 -4.97 121.76 123.33 1jxf s ALA 3 Ca 0.51 0.28 -0.04 0.00 0.00 0.00 0.00 51.96 52.71 1jxf s ALA 3 Cb -0.20 -3.18 0.06 0.00 0.00 0.00 0.00 23.12 19.80 1jxf s ALA 3 CO 0.23 -0.63 0.18 0.99 0.00 0.00 0.00 175.76 176.54 1jxf s THR 4 N -2.58 -0.28 0.10 0.00 2.01 -1.26 -2.69 115.64 110.95 1jxf s THR 4 Ca 0.61 0.15 0.05 0.00 0.31 0.00 0.00 61.69 62.82 1jxf s THR 4 Cb -0.14 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 1jxf s THR 4 CO 0.37 -0.01 0.01 -0.69 -0.69 0.00 0.00 174.62 173.62 1jxf s VAL 5 N 2.30 4.06 -0.11 3.82 1.01 -0.94 -4.65 120.40 125.88 1jxf s VAL 5 Ca 0.04 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.01 1jxf s VAL 5 Cb -0.14 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 1jxf s VAL 5 CO -0.08 0.08 -0.18 -1.59 0.00 0.00 0.00 175.10 173.33 1jxf s LYS 6 N -2.44 3.18 0.10 2.72 -2.85 -1.16 -1.90 119.74 117.39 1jxf s LYS 6 Ca 0.27 -0.77 -0.26 0.00 -1.00 0.00 0.00 55.97 54.21 1jxf s LYS 6 Cb -0.11 -2.48 -0.12 0.00 -2.06 0.00 0.00 37.83 33.06 1jxf s LYS 6 CO 0.19 0.23 1.68 0.52 0.10 0.00 0.00 175.35 178.07 1jxf h MET 7 N 6.60 -0.32 -6.76 1.78 2.86 -1.17 -3.35 114.93 114.57 1jxf h MET 7 Ca -0.25 0.02 -0.69 0.00 -2.06 0.00 0.00 59.70 56.73 1jxf h MET 7 Cb 1.22 0.07 -0.22 0.00 0.06 0.00 0.00 31.60 32.73 1jxf h MET 7 CO 0.52 -0.21 -0.84 0.20 1.06 0.00 0.00 176.91 177.64 1jxf s GLY 8 N -2.31 1.58 0.57 8.32 0.00 -1.26 -3.56 107.32 110.67 1jxf s GLY 8 Ca -0.15 -1.35 -0.18 0.00 0.00 0.00 0.00 44.72 43.05 1jxf s GLY 8 CO 0.65 -1.30 1.09 -1.35 0.00 0.00 0.00 173.10 172.19 1jxf s SER 9 N -1.84 5.71 -1.22 1.64 1.04 -0.51 -4.31 113.70 114.21 1jxf s SER 9 Ca 0.15 1.99 -0.10 0.00 0.48 0.00 0.00 55.95 58.47 1jxf s SER 9 Cb -0.10 -2.56 -0.07 0.00 0.10 0.00 0.00 66.02 63.39 1jxf s SER 9 CO 0.06 -1.22 2.41 -0.90 0.98 0.00 0.00 173.24 174.58 1jxf n ASP 10 N -1.69 5.91 0.21 7.02 5.75 -1.26 -3.25 116.55 129.24 1jxf n ASP 10 Ca 0.10 -2.52 0.00 0.00 -0.01 0.00 0.00 54.79 52.37 1jxf n ASP 10 Cb 0.52 -1.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.28 1jxf n ASP 10 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1jxf n SER 11 N 4.59 -3.71 0.00 -1.12 7.64 -1.26 -5.06 113.62 114.70 1jxf n SER 11 Ca 0.58 0.80 0.00 0.00 1.01 0.00 0.00 58.87 61.27 1jxf n SER 11 Cb 0.23 3.51 0.00 0.00 -1.01 0.00 0.00 64.21 66.94 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 -1.49 0.00 2.95 0.23 0.00 -1.20 -5.09 105.19 100.59 1jxf n GLY 12 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.37 -0.67 4.61 0.00 -1.26 -4.98 121.76 119.09 1jxf s ALA 13 Ca 0.00 0.78 -0.27 0.00 0.00 0.00 0.00 51.96 52.47 1jxf s ALA 13 Cb 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 22.42 1jxf s ALA 13 CO 0.00 -0.38 1.46 -0.48 0.00 0.00 0.00 175.76 176.37 1jxf s LEU 14 N 1.75 3.25 -0.07 0.00 0.05 -1.26 -1.43 118.68 120.97 1jxf s LEU 14 Ca -0.04 -0.08 -0.04 0.00 0.05 0.00 0.00 54.13 54.02 1jxf s LEU 14 Cb -0.11 -2.66 0.03 0.00 -2.05 0.00 0.00 46.19 41.40 1jxf s LEU 14 CO -0.07 -1.96 0.17 0.68 -0.55 0.00 0.00 176.35 174.62 1jxf s VAL 15 N 6.70 -0.04 -0.68 1.48 -7.23 -1.23 -4.83 120.40 114.57 1jxf s VAL 15 Ca 0.47 0.13 -0.26 0.00 -1.81 0.00 0.00 61.98 60.51 1jxf s VAL 15 Cb -0.10 -0.26 0.04 0.00 0.56 0.00 0.00 36.38 36.61 1jxf s VAL 15 CO 0.19 0.05 1.19 -0.36 -0.31 0.00 0.00 175.10 175.86 1jxf s PHE 16 N 0.95 2.45 -0.03 2.82 0.08 -1.26 -4.34 117.98 118.64 1jxf s PHE 16 Ca -0.07 -0.02 0.01 0.00 0.12 0.00 0.00 56.93 56.97 1jxf s PHE 16 Cb -0.09 -4.52 0.02 0.00 -0.57 0.00 0.00 43.02 37.86 1jxf s PHE 16 CO -0.05 -1.86 -0.04 -1.21 -0.10 0.00 0.00 175.22 171.97 1jxf s GLU 17 N 5.20 0.61 0.09 0.44 8.01 -1.26 -0.76 118.70 131.03 1jxf s GLU 17 Ca 0.35 -0.08 -0.30 0.00 0.01 0.00 0.00 54.97 54.94 1jxf s GLU 17 Cb -0.09 -0.65 -0.06 0.00 -4.31 0.00 0.00 34.13 29.01 1jxf s GLU 17 CO 0.17 -0.05 1.15 -1.25 0.01 0.00 0.00 175.26 175.30 1jxf s PRO 18 N 0.70 4.48 0.38 0.39 0.04 -1.26 -3.00 135.00 136.73 1jxf s PRO 18 Ca -0.08 1.73 0.12 0.00 0.04 0.00 0.00 61.00 62.81 1jxf s PRO 18 Cb -0.12 -3.34 0.93 0.00 0.04 0.00 0.00 34.50 32.01 1jxf s PRO 18 CO -0.00 -0.15 1.85 0.66 0.04 0.00 0.00 177.00 179.39 1jxf h SER 19 N 6.34 0.56 -3.19 6.66 4.64 -1.28 -3.37 113.55 123.91 1jxf h SER 19 Ca -0.42 0.05 -0.57 0.00 -0.47 0.00 0.00 61.79 60.37 1jxf h SER 19 Cb 1.21 -0.06 -0.36 0.00 -0.31 0.00 0.00 62.40 62.89 1jxf h SER 19 CO 0.78 0.25 -0.82 -0.89 -0.87 0.00 0.00 176.83 175.27 1jxf s THR 20 N -5.59 1.37 -0.02 2.95 2.01 -1.26 -0.26 115.64 114.85 1jxf s THR 20 Ca -0.09 -0.53 0.06 0.00 0.31 0.00 0.00 61.69 61.44 1jxf s THR 20 Cb 0.23 -1.30 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 1jxf s THR 20 CO 0.79 0.42 -0.21 0.68 -0.69 0.00 0.00 174.62 175.61 1jxf s VAL 21 N 1.39 1.65 -0.25 3.82 -7.23 -1.21 -5.04 120.40 113.53 1jxf s VAL 21 Ca 0.01 -0.90 0.02 0.00 -1.81 0.00 0.00 61.98 59.30 1jxf s VAL 21 Cb -0.13 -1.37 0.06 0.00 0.56 0.00 0.00 36.38 35.49 1jxf s VAL 21 CO -0.07 0.47 -0.08 -0.89 -0.31 0.00 0.00 175.10 174.21 1jxf s THR 22 N -0.49 1.87 0.51 5.32 2.01 -1.26 -2.04 115.64 121.57 1jxf s THR 22 Ca 0.08 -1.46 0.01 0.00 0.31 0.00 0.00 61.69 60.63 1jxf s THR 22 Cb -0.08 -2.06 0.01 0.00 0.01 0.00 0.00 72.50 70.38 1jxf s THR 22 CO -0.01 -0.07 0.07 2.30 -0.69 0.00 0.00 174.62 176.22 1jxf n ILE 23 N 4.54 0.00 -1.79 1.82 -5.35 -1.10 -5.00 119.36 112.48 1jxf n ILE 23 Ca -0.13 -2.35 -0.30 0.00 -0.27 0.00 0.00 62.75 59.70 1jxf n ILE 23 Cb 0.43 0.39 0.20 0.00 -1.74 0.00 0.00 39.64 38.91 1jxf n ILE 23 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1jxf s LYS 24 N -3.90 0.32 -0.27 6.28 -0.14 -1.26 -1.77 119.74 119.00 1jxf s LYS 24 Ca 0.06 -0.36 -0.12 0.00 -1.36 0.00 0.00 55.97 54.19 1jxf s LYS 24 Cb -0.00 -1.80 -0.05 0.00 -1.68 0.00 0.00 37.83 34.29 1jxf s LYS 24 CO 0.04 -2.64 0.22 0.00 -0.76 0.00 0.00 175.35 172.20 1jxf s ALA 25 N -3.75 3.55 0.00 5.17 0.00 -1.25 -3.84 121.76 121.65 1jxf s ALA 25 Ca 0.74 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.69 1jxf s ALA 25 Cb -0.05 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 20.58 1jxf s ALA 25 CO 0.54 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 176.20 1jxf n GLY 26 N 4.86 2.50 3.80 0.00 0.00 0.86 -4.93 105.19 112.28 1jxf n GLY 26 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.25 -0.35 0.36 1.61 2.12 -1.20 -4.68 118.70 116.30 1jxf s GLU 27 Ca 0.00 -0.40 0.04 0.00 0.36 0.00 0.00 54.97 54.97 1jxf s GLU 27 Cb 0.00 -1.73 -0.05 0.00 0.26 0.00 0.00 34.13 32.61 1jxf s GLU 27 CO 0.00 -3.08 0.07 -1.83 -0.54 0.00 0.00 175.26 169.88 1jxf s GLU 28 N -5.79 1.76 0.04 4.30 1.03 -1.26 -1.11 118.70 117.68 1jxf s GLU 28 Ca 0.75 -2.01 0.03 0.00 0.03 0.00 0.00 54.97 53.76 1jxf s GLU 28 Cb -0.04 -0.91 -0.02 0.00 -0.80 0.00 0.00 34.13 32.36 1jxf s GLU 28 CO 0.54 -0.25 -0.09 0.08 -1.33 0.00 0.00 175.26 174.21 1jxf s VAL 29 N -3.21 0.70 -0.03 1.83 1.01 -0.74 -3.75 120.40 116.21 1jxf s VAL 29 Ca 0.32 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.39 1jxf s VAL 29 Cb 0.07 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.73 1jxf s VAL 29 CO 0.15 -0.23 -0.24 -0.75 0.00 0.00 0.00 175.10 174.03 1jxf s LYS 30 N -1.33 2.03 0.12 2.72 2.20 -1.09 -0.80 119.74 123.59 1jxf s LYS 30 Ca -0.05 -0.84 0.05 0.00 -0.36 0.00 0.00 55.97 54.77 1jxf s LYS 30 Cb -0.09 -1.90 -0.04 0.00 -1.51 0.00 0.00 37.83 34.30 1jxf s LYS 30 CO 0.01 0.47 0.02 -1.58 -0.36 0.00 0.00 175.35 173.91 1jxf s TRP 31 N -0.45 2.99 -0.01 4.03 0.51 -0.59 -2.23 118.94 123.19 1jxf s TRP 31 Ca 0.06 -0.05 0.02 0.00 -2.12 0.00 0.00 56.10 54.01 1jxf s TRP 31 Cb -0.10 -1.50 -0.00 0.00 -0.81 0.00 0.00 33.47 31.06 1jxf s TRP 31 CO 0.00 0.50 -0.06 0.08 -0.51 0.00 0.00 176.95 176.96 1jxf s VAL 32 N -1.48 0.48 -0.06 4.03 1.01 -0.80 -3.34 120.40 120.24 1jxf s VAL 32 Ca 0.27 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 1jxf s VAL 32 Cb -0.11 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 1jxf s VAL 32 CO 0.19 0.14 0.28 0.21 0.00 0.00 0.00 175.10 175.92 1jxf s ASN 33 N -0.07 6.60 0.00 3.32 2.47 -1.26 -0.63 114.94 125.37 1jxf s ASN 33 Ca 0.01 0.72 0.00 0.00 0.42 0.00 0.00 52.86 54.01 1jxf s ASN 33 Cb -0.03 -2.16 0.00 0.00 -1.45 0.00 0.00 41.25 37.61 1jxf s ASN 33 CO -0.00 0.37 0.00 -3.20 -3.72 0.00 0.00 177.10 170.54 1jxf n ASN 34 N 1.89 0.00 -3.21 -4.21 2.85 -1.26 -4.49 115.26 106.82 1jxf n ASN 34 Ca -0.17 0.00 -0.18 0.00 -0.11 0.00 0.00 54.58 54.12 1jxf n ASN 34 Cb 0.54 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.50 1jxf n ASN 34 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1jxf s LYS 35 N -0.93 1.88 -0.87 1.20 1.02 -1.26 -4.85 119.74 115.93 1jxf s LYS 35 Ca 0.00 -1.95 -0.03 0.00 0.02 0.00 0.00 55.97 54.02 1jxf s LYS 35 Cb 0.00 0.38 -0.03 0.00 -0.52 0.00 0.00 37.83 37.66 1jxf s LYS 35 CO 0.00 -0.74 0.75 1.28 -0.92 0.00 0.00 175.35 175.72 1jxf n LEU 36 N -0.63 -4.30 -4.97 3.17 7.99 -1.26 -4.15 117.00 112.85 1jxf n LEU 36 Ca 0.05 -0.52 -0.21 0.00 -0.01 0.00 0.00 56.01 55.31 1jxf n LEU 36 Cb 0.62 -2.60 -0.01 0.00 -0.11 0.00 0.00 43.42 41.32 1jxf n LEU 36 CO 0.31 0.18 0.05 -0.94 -1.51 0.00 0.00 177.39 175.48 1jxf s SER 37 N -3.64 6.21 0.76 -1.43 1.04 -1.26 -4.28 113.70 111.10 1jxf s SER 37 Ca 0.20 0.12 -0.11 0.00 0.48 0.00 0.00 55.95 56.64 1jxf s SER 37 Cb -0.03 -1.75 0.05 0.00 0.10 0.00 0.00 66.02 64.39 1jxf s SER 37 CO 0.58 -0.24 1.09 -2.16 0.98 0.00 0.00 173.24 173.48 1jxf s PRO 38 N -4.14 2.36 -0.16 4.02 0.04 -1.26 -5.10 135.00 130.77 1jxf s PRO 38 Ca 0.39 0.73 -0.02 0.00 0.04 0.00 0.00 61.00 62.13 1jxf s PRO 38 Cb -0.09 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.56 1jxf s PRO 38 CO 0.32 -1.45 0.03 -1.01 0.04 0.00 0.00 177.00 174.93 1jxf s HIS 39 N -3.13 0.90 0.23 0.56 3.76 -1.17 -4.91 115.29 111.54 1jxf s HIS 39 Ca 0.60 -0.65 0.08 0.00 -0.15 0.00 0.00 55.06 54.94 1jxf s HIS 39 Cb -0.14 -0.96 -0.04 0.00 1.11 0.00 0.00 32.58 32.55 1jxf s HIS 39 CO 0.54 -0.53 0.07 0.54 -0.85 0.00 0.00 174.74 174.52 1jxf s ASN 40 N 1.90 4.99 -0.23 1.40 2.20 -1.26 -3.70 114.94 120.23 1jxf s ASN 40 Ca 0.01 -0.42 0.02 0.00 -0.94 0.00 0.00 52.86 51.52 1jxf s ASN 40 Cb -0.16 -1.11 0.05 0.00 -2.00 0.00 0.00 41.25 38.04 1jxf s ASN 40 CO -0.07 0.01 -0.10 -0.63 -2.94 0.00 0.00 177.10 173.37 1jxf s ILE 41 N -2.09 1.86 -0.19 0.54 1.09 -0.93 -4.23 121.20 117.24 1jxf s ILE 41 Ca 0.31 -1.33 -0.02 0.00 -1.10 0.00 0.00 60.65 58.51 1jxf s ILE 41 Cb -0.08 -1.99 -0.00 0.00 -1.06 0.00 0.00 42.46 39.33 1jxf s ILE 41 CO 0.22 0.03 -0.10 0.68 -0.10 0.00 0.00 174.94 175.67 1jxf s VAL 42 N 1.26 3.00 -0.91 2.92 -7.23 -1.21 0.19 120.40 118.43 1jxf s VAL 42 Ca -0.05 -0.63 -0.23 0.00 -1.81 0.00 0.00 61.98 59.25 1jxf s VAL 42 Cb -0.18 -2.33 0.06 0.00 0.56 0.00 0.00 36.38 34.49 1jxf s VAL 42 CO -0.07 0.47 1.31 -0.36 -0.31 0.00 0.00 175.10 176.14 1jxf s PHE 43 N 1.20 2.60 -0.50 2.82 0.40 -1.26 -2.83 117.98 120.41 1jxf s PHE 43 Ca 0.02 -0.74 -0.28 0.00 -0.60 0.00 0.00 56.93 55.33 1jxf s PHE 43 Cb -0.14 -4.57 0.01 0.00 0.51 0.00 0.00 43.02 38.83 1jxf s PHE 43 CO -0.04 -1.86 1.44 0.00 0.70 0.00 0.00 175.22 175.47 1jxf s ALA 44 N 4.64 2.88 -0.70 5.36 0.00 -0.15 -4.74 121.76 129.05 1jxf s ALA 44 Ca 0.39 -0.44 -0.26 0.00 0.00 0.00 0.00 51.96 51.65 1jxf s ALA 44 Cb -0.04 -4.04 -0.14 0.00 0.00 0.00 0.00 23.12 18.90 1jxf s ALA 44 CO -0.03 -2.75 2.48 0.00 0.00 0.00 0.00 175.76 175.46 1jxf n ALA 45 N 9.43 0.61 -2.96 0.00 0.00 -1.26 -3.13 120.51 123.20 1jxf n ALA 45 Ca 0.15 -0.82 -0.28 0.00 0.00 0.00 0.00 53.44 52.49 1jxf n ALA 45 Cb 0.49 -2.92 -0.04 0.00 0.00 0.00 0.00 19.45 16.98 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 14.23 4.65 0.00 0.00 -0.08 -1.26 -4.66 116.55 129.43 1jxf n ASP 46 Ca 0.48 -3.67 0.00 0.00 -1.51 0.00 0.00 54.79 50.09 1jxf n ASP 46 Cb 0.37 -0.62 0.00 0.00 2.34 0.00 0.00 41.12 43.21 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 -0.13 1.59 3.88 0.27 0.00 -1.26 -4.75 105.19 104.78 1jxf n GLY 47 Ca 0.32 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 0.00 -1.63 1.61 3.14 -1.25 -4.83 118.33 115.37 1jxf n VAL 48 Ca 0.00 -2.03 -0.30 0.00 -2.96 0.00 0.00 64.34 59.05 1jxf n VAL 48 Cb 0.00 -0.34 0.09 0.00 -1.06 0.00 0.00 33.84 32.52 1jxf n VAL 48 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1jxf s ASP 49 N -4.48 4.60 -0.01 6.55 1.01 -1.26 -4.88 116.67 118.21 1jxf s ASP 49 Ca 0.51 1.22 -0.00 0.00 0.71 0.00 0.00 52.55 54.99 1jxf s ASP 49 Cb -0.04 -1.95 -0.00 0.00 1.01 0.00 0.00 42.92 41.94 1jxf s ASP 49 CO 0.32 -1.89 0.13 0.00 0.21 0.00 0.00 175.17 173.94 1jxf h ALA 50 N -1.04 -0.13 -1.00 5.23 0.00 -1.99 -3.02 119.26 117.33 1jxf h ALA 50 Ca -0.47 -0.00 0.24 0.00 0.00 0.00 0.00 54.91 54.68 1jxf h ALA 50 Cb 1.27 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.88 1jxf h ALA 50 CO 0.61 -0.13 -0.10 -0.44 0.00 0.00 0.00 179.25 179.19 1jxf h ASP 51 N -0.07 -0.69 -0.00 0.00 3.32 -1.97 0.30 116.42 117.30 1jxf h ASP 51 Ca -0.00 0.29 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1jxf h ASP 51 Cb 0.01 0.55 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 1jxf h ASP 51 CO 0.00 -0.35 -0.01 0.74 -1.72 0.00 0.00 179.24 177.90 1jxf h THR 52 N 0.00 0.00 -0.12 0.35 2.02 -1.98 0.30 112.91 113.49 1jxf h THR 52 Ca 0.55 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.76 1jxf h THR 52 Cb 1.01 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1jxf h THR 52 CO -0.98 0.00 0.42 0.00 0.37 0.00 0.00 175.52 175.34 1jxf h ALA 53 N -1.42 1.60 0.00 6.16 0.00 -0.91 1.24 119.26 125.92 1jxf h ALA 53 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1jxf h ALA 53 Cb 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1jxf h ALA 53 CO -0.01 -0.48 -0.31 0.00 0.00 0.00 0.00 179.25 178.44 1jxf h ALA 54 N 1.26 1.47 0.00 0.00 0.00 0.31 1.43 119.26 123.74 1jxf h ALA 54 Ca 0.06 -0.29 -0.25 0.00 0.00 0.00 0.00 54.91 54.43 1jxf h ALA 54 Cb 0.90 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1jxf h ALA 54 CO -0.00 0.39 -1.49 -0.22 0.00 0.00 0.00 179.25 177.94 1jxf h LYS 55 N 0.00 0.00 -0.06 0.00 3.64 0.24 -3.27 116.57 117.13 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 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1jxf h LYS 55 CO 0.04 0.53 0.00 1.28 -2.27 0.00 0.00 179.45 179.03 1jxf n LEU 56 N -3.07 1.98 -4.83 5.20 4.32 -0.77 -4.74 117.00 115.10 1jxf n LEU 56 Ca -0.12 -0.69 -0.36 0.00 -0.02 0.00 0.00 56.01 54.81 1jxf n LEU 56 Cb 0.98 -0.03 -0.06 0.00 -1.62 0.00 0.00 43.42 42.69 1jxf n LEU 56 CO 0.45 0.35 0.27 -0.44 -1.22 0.00 0.00 177.39 176.79 1jxf s SER 57 N -1.92 6.93 -0.32 -1.43 0.01 0.48 -4.26 113.70 113.19 1jxf s SER 57 Ca 0.35 1.18 -0.01 0.00 1.31 0.00 0.00 55.95 58.78 1jxf s SER 57 Cb 0.20 -2.33 0.10 0.00 0.21 0.00 0.00 66.02 64.21 1jxf s SER 57 CO 0.32 0.15 0.11 -1.00 0.41 0.00 0.00 173.24 173.22 1jxf s HIS 58 N -1.37 1.59 -0.38 2.43 3.76 0.51 -4.88 115.29 116.95 1jxf s HIS 58 Ca 0.36 -1.71 0.04 0.00 -0.15 0.00 0.00 55.06 53.59 1jxf s HIS 58 Cb -0.17 -1.64 0.57 0.00 1.11 0.00 0.00 32.58 32.46 1jxf s HIS 58 CO 0.19 -0.87 1.78 1.63 -0.85 0.00 0.00 174.74 176.63 1jxf n LYS 59 N 4.77 2.11 0.00 1.40 5.02 -1.26 -2.20 118.16 128.00 1jxf n LYS 59 Ca -0.01 -2.57 0.00 0.00 -2.02 0.00 0.00 58.31 53.71 1jxf n LYS 59 Cb 0.41 -2.01 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 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 -0.88 1.24 3.31 0.72 0.00 -1.26 -5.05 105.19 103.27 1jxf n GLY 60 Ca 0.51 -1.61 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 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 0.48 -0.03 0.99 1.02 -1.26 -4.66 118.68 115.22 1jxf s LEU 61 Ca 0.00 0.01 0.01 0.00 0.02 0.00 0.00 54.13 54.17 1jxf s LEU 61 Cb 0.00 1.66 0.02 0.00 0.02 0.00 0.00 46.19 47.89 1jxf s LEU 61 CO 0.00 -0.63 -0.01 0.00 0.02 0.00 0.00 176.35 175.73 1jxf s ALA 62 N -2.30 0.36 0.00 4.21 0.00 -1.24 -4.94 121.76 117.84 1jxf s ALA 62 Ca -0.06 0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1jxf s ALA 62 Cb -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.82 1jxf s ALA 62 CO -0.01 -0.03 0.00 1.19 0.00 0.00 0.00 175.76 176.91 1jxf n PHE 63 N 3.90 0.00 -3.33 0.00 3.72 -1.26 -3.04 117.46 117.44 1jxf n PHE 63 Ca -0.24 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 56.86 1jxf n PHE 63 Cb 0.52 0.05 -0.04 0.00 -0.94 0.00 0.00 39.48 39.07 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 -1.64 3.60 -0.32 4.37 0.00 -1.26 -4.97 121.76 121.53 1jxf s ALA 64 Ca 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 51.96 51.46 1jxf s ALA 64 Cb 0.00 -2.35 0.15 0.00 0.00 0.00 0.00 23.12 20.92 1jxf s ALA 64 CO 0.00 0.29 2.25 0.00 0.00 0.00 0.00 175.76 178.31 1jxf n ALA 65 N -0.77 5.43 0.00 0.00 0.00 -1.26 -3.72 120.51 120.18 1jxf n ALA 65 Ca -0.01 -1.92 0.00 0.00 0.00 0.00 0.00 53.44 51.51 1jxf n ALA 65 Cb 0.54 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 0.60 0.00 3.69 0.00 0.00 -1.26 -4.90 105.19 103.32 1jxf n GLY 66 Ca 0.34 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.52 4.37 0.01 1.61 0.41 -1.24 -5.02 118.70 117.31 1jxf s GLU 67 Ca 0.00 1.74 0.03 0.00 -0.41 0.00 0.00 54.97 56.33 1jxf s GLU 67 Cb 0.00 -3.50 -0.01 0.00 -1.78 0.00 0.00 34.13 28.84 1jxf s GLU 67 CO 0.00 -0.41 -0.08 -1.12 -0.49 0.00 0.00 175.26 173.16 1jxf s SER 68 N 1.42 0.95 0.55 -0.19 0.01 -1.26 -4.34 113.70 110.85 1jxf s SER 68 Ca 0.58 -0.23 0.05 0.00 1.31 0.00 0.00 55.95 57.65 1jxf s SER 68 Cb -0.27 -0.08 0.06 0.00 0.21 0.00 0.00 66.02 65.94 1jxf s SER 68 CO 0.25 0.04 0.77 -0.36 0.41 0.00 0.00 173.24 174.34 1jxf s PHE 69 N -0.43 2.24 0.03 2.43 0.08 -1.21 -4.89 117.98 116.23 1jxf s PHE 69 Ca 0.01 -0.34 -0.01 0.00 0.12 0.00 0.00 56.93 56.71 1jxf s PHE 69 Cb -0.04 -2.57 -0.03 0.00 -0.57 0.00 0.00 43.02 39.81 1jxf s PHE 69 CO 0.00 -0.98 -0.02 0.99 -0.10 0.00 0.00 175.22 175.10 1jxf s THR 70 N -2.70 0.15 0.09 0.64 2.01 -1.26 -1.54 115.64 113.02 1jxf s THR 70 Ca 0.60 -1.26 0.04 0.00 0.31 0.00 0.00 61.69 61.37 1jxf s THR 70 Cb -0.08 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.63 1jxf s THR 70 CO 0.38 -0.69 -0.10 -0.55 -0.69 0.00 0.00 174.62 172.97 1jxf s SER 71 N -2.04 1.37 -0.45 3.53 0.15 0.02 -4.95 113.70 111.33 1jxf s SER 71 Ca -0.07 -0.76 -0.10 0.00 0.70 0.00 0.00 55.95 55.73 1jxf s SER 71 Cb -0.03 0.01 0.10 0.00 -1.71 0.00 0.00 66.02 64.39 1jxf s SER 71 CO -0.05 -0.24 0.31 -0.89 1.20 0.00 0.00 173.24 173.57 1jxf s THR 72 N -2.19 4.28 -1.19 6.45 2.01 -1.26 -1.79 115.64 121.95 1jxf s THR 72 Ca 0.02 -1.56 -0.07 0.00 0.31 0.00 0.00 61.69 60.40 1jxf s THR 72 Cb -0.04 -3.71 0.23 0.00 0.01 0.00 0.00 72.50 68.98 1jxf s THR 72 CO 0.00 -0.64 1.75 0.49 -0.69 0.00 0.00 174.62 175.53 1jxf n PHE 73 N 4.93 2.60 -0.01 4.92 3.01 -0.26 -4.71 117.46 127.93 1jxf n PHE 73 Ca -0.09 -2.68 -0.01 0.00 1.01 0.00 0.00 57.45 55.68 1jxf n PHE 73 Cb 0.42 -1.62 -0.00 0.00 -0.01 0.00 0.00 39.48 38.27 1jxf n PHE 73 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1jxf h THR 74 N 3.48 0.00 -2.54 4.37 1.35 -1.84 0.25 112.91 117.97 1jxf h THR 74 Ca 0.34 -0.21 -0.53 0.00 -0.55 0.00 0.00 66.41 65.45 1jxf h THR 74 Cb 0.59 0.00 0.02 0.00 -1.73 0.00 0.00 68.15 67.03 1jxf h THR 74 CO 1.48 0.00 1.11 -0.70 -0.25 0.00 0.00 175.52 177.17 1jxf s GLU 75 N -1.24 4.16 -0.65 4.72 2.12 -1.26 -3.42 118.70 123.14 1jxf s GLU 75 Ca -0.03 2.48 -0.27 0.00 0.36 0.00 0.00 54.97 57.52 1jxf s GLU 75 Cb 0.00 -3.80 0.01 0.00 0.26 0.00 0.00 34.13 30.60 1jxf s GLU 75 CO 0.04 -0.85 1.55 -1.25 -0.54 0.00 0.00 175.26 174.21 1jxf s PRO 76 N 3.34 2.99 0.00 4.30 0.04 -1.26 -4.77 135.00 139.64 1jxf s PRO 76 Ca 0.80 0.27 0.00 0.00 0.04 0.00 0.00 61.00 62.11 1jxf s PRO 76 Cb -0.42 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 29.87 1jxf s PRO 76 CO 0.36 -2.34 0.00 0.41 0.04 0.00 0.00 177.00 175.47 1jxf n GLY 77 N 5.49 4.14 2.91 0.56 0.00 -1.21 -4.94 105.19 112.14 1jxf n GLY 77 Ca 0.12 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 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 0.70 -0.05 -0.35 2.61 2.01 -1.26 -2.64 115.64 116.66 1jxf s THR 78 Ca 0.00 0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.20 1jxf s THR 78 Cb 0.00 -0.23 0.11 0.00 0.01 0.00 0.00 72.50 72.39 1jxf s THR 78 CO 0.00 0.08 0.11 -0.31 -0.69 0.00 0.00 174.62 173.80 1jxf s TYR 79 N 1.18 2.66 -0.69 4.92 2.02 -1.16 -3.79 117.35 122.49 1jxf s TYR 79 Ca -0.09 -2.42 -0.27 0.00 -0.37 0.00 0.00 57.07 53.91 1jxf s TYR 79 Cb -0.12 -2.29 0.02 0.00 -0.40 0.00 0.00 41.96 39.17 1jxf s TYR 79 CO -0.06 -0.88 1.39 0.99 -1.57 0.00 0.00 175.55 175.42 1jxf s THR 80 N 1.04 3.68 -0.16 -0.71 2.01 -1.18 -2.67 115.64 117.65 1jxf s THR 80 Ca 0.12 0.43 -0.04 0.00 0.31 0.00 0.00 61.69 62.51 1jxf s THR 80 Cb -0.19 -4.68 -0.03 0.00 0.01 0.00 0.00 72.50 67.60 1jxf s THR 80 CO -0.14 -1.59 -0.03 -0.72 -0.69 0.00 0.00 174.62 171.45 1jxf s TYR 81 N 6.31 3.03 0.44 4.92 1.13 -0.86 -0.98 117.35 131.34 1jxf s TYR 81 Ca 0.43 -0.32 0.04 0.00 -1.41 0.00 0.00 57.07 55.80 1jxf s TYR 81 Cb -0.09 -1.97 -0.01 0.00 -1.10 0.00 0.00 41.96 38.78 1jxf s TYR 81 CO 0.18 -0.06 0.13 2.48 -2.51 0.00 0.00 175.55 175.76 1jxf n TYR 82 N 3.62 0.31 -2.56 -3.49 0.18 -1.13 0.15 117.16 114.25 1jxf n TYR 82 Ca -0.17 -2.70 -0.42 0.00 1.88 0.00 0.00 57.90 56.49 1jxf n TYR 82 Cb 0.52 -0.06 -0.03 0.00 -0.38 0.00 0.00 39.34 39.40 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 7.21 -0.16 0.02 0.00 4.81 -1.93 0.55 114.58 125.08 1jxf h GLU 84 Ca -0.34 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1jxf h GLU 84 Cb 1.17 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1jxf h GLU 84 CO 0.85 -0.11 -0.01 -1.00 -0.73 0.00 0.00 179.01 178.01 1jxf h PRO 85 N -0.17 -0.03 -1.97 0.92 0.13 -1.93 -3.29 132.00 125.67 1jxf h PRO 85 Ca 0.13 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.93 1jxf h PRO 85 Cb 0.37 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 31.38 1jxf h PRO 85 CO -0.34 0.66 0.06 0.72 -0.23 0.00 0.00 178.00 178.87 1jxf n HIS 86 N -4.76 0.88 1.41 1.56 8.25 -1.15 -4.34 115.22 117.08 1jxf n HIS 86 Ca -0.09 -1.72 0.09 0.00 -0.26 0.00 0.00 57.72 55.74 1jxf n HIS 86 Cb 0.35 -1.40 0.38 0.00 1.12 0.00 0.00 29.99 30.44 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 1.51 1.53 -2.72 -0.41 1.85 0.17 -3.95 116.66 114.65 1jxf n ARG 87 Ca 0.43 -0.80 -0.08 0.00 -1.00 0.00 0.00 57.85 56.40 1jxf n ARG 87 Cb 0.70 -1.34 0.09 0.00 -1.05 0.00 0.00 32.46 30.85 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 1.02 1.41 1.31 2.89 0.00 -1.26 -4.93 105.19 105.62 1jxf n GLY 88 Ca 0.15 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.31 2.70 0.00 4.61 0.00 -1.26 -5.05 120.51 121.20 1jxf n ALA 89 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1jxf n ALA 89 Cb 0.82 0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.34 1jxf n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jxf n GLY 90 N 1.73 0.00 2.58 0.00 0.00 -1.26 -5.14 105.19 103.11 1jxf n GLY 90 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1jxf n GLY 90 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1jxf s MET 91 N 0.00 0.35 0.17 1.61 0.00 -1.25 -4.86 119.30 115.32 1jxf s MET 91 Ca 0.00 -0.74 -0.07 0.00 0.00 0.00 0.00 55.69 54.88 1jxf s MET 91 Cb 0.00 -1.38 -0.02 0.00 0.00 0.00 0.00 34.83 33.44 1jxf s MET 91 CO 0.00 -1.03 0.25 0.54 0.00 0.00 0.00 175.02 174.78 1jxf s VAL 92 N 1.88 0.06 0.03 10.11 0.11 -1.26 -2.47 120.40 128.86 1jxf s VAL 92 Ca 0.10 -1.53 -0.00 0.00 -2.93 0.00 0.00 61.98 57.62 1jxf s VAL 92 Cb -0.17 -1.97 -0.03 0.00 -1.53 0.00 0.00 36.38 32.68 1jxf s VAL 92 CO -0.31 -0.27 -0.03 -0.83 -3.33 0.00 0.00 175.10 170.33 1jxf s GLY 93 N -3.00 0.35 -0.28 6.54 0.00 0.12 -4.56 107.32 106.49 1jxf s GLY 93 Ca 0.21 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 44.09 1jxf s GLY 93 CO 0.02 -0.93 0.02 0.54 0.00 0.00 0.00 173.10 172.75 1jxf s LYS 94 N -2.46 1.24 0.25 2.90 1.02 0.64 -2.03 119.74 121.30 1jxf s LYS 94 Ca -0.06 -1.15 -0.20 0.00 0.02 0.00 0.00 55.97 54.58 1jxf s LYS 94 Cb -0.03 -2.49 -0.09 0.00 -0.52 0.00 0.00 37.83 34.70 1jxf s LYS 94 CO -0.04 -0.79 0.75 0.08 -0.92 0.00 0.00 175.35 174.43 1jxf s VAL 95 N 1.40 4.54 -0.27 3.17 1.01 -1.09 -3.31 120.40 125.84 1jxf s VAL 95 Ca 0.03 1.31 -0.04 0.00 0.00 0.00 0.00 61.98 63.28 1jxf s VAL 95 Cb -0.18 -3.85 0.09 0.00 0.00 0.00 0.00 36.38 32.44 1jxf s VAL 95 CO -0.12 0.15 0.12 -0.69 0.00 0.00 0.00 175.10 174.56 1jxf s VAL 96 N -1.59 0.00 0.02 2.92 1.01 -0.86 -2.97 120.40 118.93 1jxf s VAL 96 Ca 0.45 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 1jxf s VAL 96 Cb -0.16 -0.97 -0.06 0.00 0.00 0.00 0.00 36.38 35.19 1jxf s VAL 96 CO 0.21 -0.65 0.39 -0.69 0.00 0.00 0.00 175.10 174.36 1jxf s VAL 97 N 2.07 5.07 -0.31 2.92 1.01 -1.08 -2.70 120.40 127.38 1jxf s VAL 97 Ca 0.08 0.70 0.02 0.00 0.00 0.00 0.00 61.98 62.78 1jxf s VAL 97 Cb -0.16 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.56 1jxf s VAL 97 CO -0.32 0.50 0.58 0.47 0.00 0.00 0.00 175.10 176.33