#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 4.03 0.52 0.00 0.01 -1.26 -5.05 114.94 113.18 1jxf s ASN 2 Ca 0.00 0.44 -0.12 0.00 -0.71 0.00 0.00 52.86 52.47 1jxf s ASN 2 Cb 0.00 -0.79 -0.06 0.00 0.41 0.00 0.00 41.25 40.82 1jxf s ASN 2 CO 0.00 -2.16 0.92 0.00 -1.51 0.00 0.00 177.10 174.36 1jxf s ALA 3 N -3.60 3.18 -0.03 0.60 0.00 -1.12 -4.96 121.76 115.84 1jxf s ALA 3 Ca 0.66 -0.08 -0.02 0.00 0.00 0.00 0.00 51.96 52.53 1jxf s ALA 3 Cb -0.08 -2.94 0.01 0.00 0.00 0.00 0.00 23.12 20.11 1jxf s ALA 3 CO 0.49 -0.33 0.06 0.99 0.00 0.00 0.00 175.76 176.97 1jxf s THR 4 N -2.75 -0.01 -0.21 0.00 2.01 -1.26 -1.12 115.64 112.30 1jxf s THR 4 Ca 0.54 0.04 -0.04 0.00 0.31 0.00 0.00 61.69 62.55 1jxf s THR 4 Cb -0.10 -0.10 0.09 0.00 0.01 0.00 0.00 72.50 72.39 1jxf s THR 4 CO 0.40 0.02 0.20 -0.69 -0.69 0.00 0.00 174.62 173.86 1jxf s VAL 5 N 0.26 -0.29 0.33 3.82 1.01 0.15 -4.32 120.40 121.35 1jxf s VAL 5 Ca -0.02 -0.17 -0.27 0.00 0.00 0.00 0.00 61.98 61.52 1jxf s VAL 5 Cb -0.03 -0.69 -0.09 0.00 0.00 0.00 0.00 36.38 35.57 1jxf s VAL 5 CO -0.01 -0.25 1.08 -0.54 0.00 0.00 0.00 175.10 175.38 1jxf s LYS 6 N 2.29 4.44 -0.88 2.72 1.02 -1.08 -2.88 119.74 125.37 1jxf s LYS 6 Ca 0.06 1.69 -0.16 0.00 0.02 0.00 0.00 55.97 57.59 1jxf s LYS 6 Cb -0.16 -2.93 0.19 0.00 -0.52 0.00 0.00 37.83 34.41 1jxf s LYS 6 CO -0.14 0.06 0.93 -1.64 -0.92 0.00 0.00 175.35 173.65 1jxf s MET 7 N -1.87 3.64 0.00 1.68 -1.94 0.51 -3.64 119.30 117.68 1jxf s MET 7 Ca 0.50 -2.23 0.00 0.00 -1.71 0.00 0.00 55.69 52.25 1jxf s MET 7 Cb -0.28 -4.63 0.00 0.00 2.01 0.00 0.00 34.83 31.93 1jxf s MET 7 CO 0.36 -1.48 0.00 0.41 -0.01 0.00 0.00 175.02 174.30 1jxf n GLY 8 N 4.49 -0.10 3.08 -0.03 0.00 -1.22 -3.95 105.19 107.46 1jxf n GLY 8 Ca 0.19 -1.20 -0.37 0.00 0.00 0.00 0.00 46.02 44.64 1jxf n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jxf n SER 9 N -0.13 -3.61 -3.54 1.61 3.41 -0.80 -4.35 113.62 106.21 1jxf n SER 9 Ca 0.00 0.05 -0.39 0.00 -0.26 0.00 0.00 58.87 58.27 1jxf n SER 9 Cb 0.00 -0.70 -0.04 0.00 -0.26 0.00 0.00 64.21 63.21 1jxf n SER 9 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1jxf n ASP 10 N 2.23 3.59 -2.23 4.04 5.68 -1.26 -3.99 116.55 124.62 1jxf n ASP 10 Ca -0.01 -2.64 -0.04 0.00 -0.50 0.00 0.00 54.79 51.60 1jxf n ASP 10 Cb 0.67 -1.25 -0.03 0.00 -1.14 0.00 0.00 41.12 39.37 1jxf n ASP 10 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1jxf n SER 11 N 6.36 -0.99 0.00 -1.12 2.88 -1.26 -4.96 113.62 114.53 1jxf n SER 11 Ca 0.51 0.90 0.00 0.00 -1.33 0.00 0.00 58.87 58.94 1jxf n SER 11 Cb 0.34 -3.84 0.00 0.00 -0.75 0.00 0.00 64.21 59.96 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 1.11 -0.89 3.03 0.46 0.00 -1.26 -5.07 105.19 102.57 1jxf n GLY 12 Ca -0.28 0.41 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.45 -0.69 4.61 0.00 -1.26 -5.07 121.76 118.90 1jxf s ALA 13 Ca 0.00 0.75 -0.27 0.00 0.00 0.00 0.00 51.96 52.44 1jxf s ALA 13 Cb 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.65 1jxf s ALA 13 CO 0.00 -0.15 1.54 -0.48 0.00 0.00 0.00 175.76 176.68 1jxf s LEU 14 N 0.82 3.22 -0.08 0.00 2.34 -1.26 -1.90 118.68 121.82 1jxf s LEU 14 Ca -0.06 -0.12 -0.05 0.00 0.06 0.00 0.00 54.13 53.96 1jxf s LEU 14 Cb -0.07 -2.55 0.04 0.00 -0.56 0.00 0.00 46.19 43.04 1jxf s LEU 14 CO -0.05 -2.08 0.20 0.68 -1.06 0.00 0.00 176.35 174.04 1jxf s VAL 15 N 7.24 -0.03 -0.32 1.48 -7.23 -1.26 -4.80 120.40 115.49 1jxf s VAL 15 Ca 0.50 0.11 -0.29 0.00 -1.81 0.00 0.00 61.98 60.49 1jxf s VAL 15 Cb -0.10 -0.31 0.01 0.00 0.56 0.00 0.00 36.38 36.55 1jxf s VAL 15 CO 0.17 0.04 1.12 -0.36 -0.31 0.00 0.00 175.10 175.77 1jxf s PHE 16 N 0.86 3.05 -0.04 2.82 0.08 -1.26 -3.40 117.98 120.08 1jxf s PHE 16 Ca -0.06 1.11 -0.02 0.00 0.12 0.00 0.00 56.93 58.09 1jxf s PHE 16 Cb -0.08 -3.76 0.03 0.00 -0.57 0.00 0.00 43.02 38.65 1jxf s PHE 16 CO -0.05 -0.98 0.08 -1.21 -0.10 0.00 0.00 175.22 172.96 1jxf s GLU 17 N 3.77 -0.01 0.06 0.44 2.02 -1.24 -0.54 118.70 123.20 1jxf s GLU 17 Ca 0.48 0.33 -0.30 0.00 0.02 0.00 0.00 54.97 55.49 1jxf s GLU 17 Cb -0.13 -0.30 -0.05 0.00 0.10 0.00 0.00 34.13 33.75 1jxf s GLU 17 CO 0.17 -0.23 1.17 -1.25 0.02 0.00 0.00 175.26 175.14 1jxf s PRO 18 N 1.53 4.45 0.34 0.39 0.04 -1.26 -2.62 135.00 137.87 1jxf s PRO 18 Ca -0.04 1.72 0.20 0.00 0.04 0.00 0.00 61.00 62.92 1jxf s PRO 18 Cb -0.12 -3.36 1.22 0.00 0.04 0.00 0.00 34.50 32.28 1jxf s PRO 18 CO -0.04 -0.22 1.41 -1.13 0.04 0.00 0.00 177.00 177.06 1jxf n SER 19 N 3.87 0.30 -3.71 6.66 3.41 0.29 -4.48 113.62 119.97 1jxf n SER 19 Ca 0.08 1.46 -0.11 0.00 -0.26 0.00 0.00 58.87 60.05 1jxf n SER 19 Cb 0.47 -0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 63.65 1jxf n SER 19 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1jxf s THR 20 N -5.33 0.09 0.18 6.66 -1.32 -1.25 -0.76 115.64 113.90 1jxf s THR 20 Ca -0.08 -0.70 -0.01 0.00 -1.21 0.00 0.00 61.69 59.69 1jxf s THR 20 Cb 0.30 -1.11 -0.04 0.00 -1.51 0.00 0.00 72.50 70.14 1jxf s THR 20 CO 0.70 -0.39 0.10 0.68 -2.21 0.00 0.00 174.62 173.51 1jxf s VAL 21 N -3.30 0.06 -0.27 5.08 -7.23 -1.24 -5.02 120.40 108.48 1jxf s VAL 21 Ca 0.00 -1.97 -0.02 0.00 -1.81 0.00 0.00 61.98 58.18 1jxf s VAL 21 Cb 0.01 -2.34 0.09 0.00 0.56 0.00 0.00 36.38 34.70 1jxf s VAL 21 CO -0.08 -0.16 0.08 -0.89 -0.31 0.00 0.00 175.10 173.73 1jxf s THR 22 N -4.10 0.65 0.56 5.32 2.01 -1.26 -2.00 115.64 116.81 1jxf s THR 22 Ca 0.34 -1.05 0.05 0.00 0.31 0.00 0.00 61.69 61.33 1jxf s THR 22 Cb 0.07 -1.38 0.05 0.00 0.01 0.00 0.00 72.50 71.25 1jxf s THR 22 CO 0.08 -0.54 0.41 2.30 -0.69 0.00 0.00 174.62 176.19 1jxf n ILE 23 N 4.96 0.00 -1.52 1.82 -5.35 -1.00 -5.01 119.36 113.27 1jxf n ILE 23 Ca -0.05 -2.21 -0.30 0.00 -0.27 0.00 0.00 62.75 59.92 1jxf n ILE 23 Cb 0.44 -0.01 0.21 0.00 -1.74 0.00 0.00 39.64 38.54 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 -4.28 -0.29 -0.75 6.28 -0.14 -1.26 -2.24 119.74 117.06 1jxf s LYS 24 Ca 0.31 -0.25 -0.16 0.00 -1.36 0.00 0.00 55.97 54.51 1jxf s LYS 24 Cb -0.02 -1.72 0.17 0.00 -1.68 0.00 0.00 37.83 34.57 1jxf s LYS 24 CO 0.20 -3.06 0.76 0.00 -0.76 0.00 0.00 175.35 172.49 1jxf s ALA 25 N -3.47 3.77 0.00 5.17 0.00 -1.03 -3.88 121.76 122.33 1jxf s ALA 25 Ca 0.73 -2.89 0.00 0.00 0.00 0.00 0.00 51.96 49.79 1jxf s ALA 25 Cb -0.06 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1jxf s ALA 25 CO 0.54 -2.35 0.00 0.41 0.00 0.00 0.00 175.76 174.36 1jxf n GLY 26 N 4.68 0.76 3.75 0.00 0.00 -0.84 -4.90 105.19 108.65 1jxf n GLY 26 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.01 -4.53 1.61 2.13 -1.25 -4.61 120.64 111.97 1jxf n GLU 27 Ca 0.00 -1.95 -0.29 0.00 0.66 0.00 0.00 57.16 55.58 1jxf n GLU 27 Cb 0.00 -1.48 -0.07 0.00 0.27 0.00 0.00 31.44 30.16 1jxf n GLU 27 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1jxf n GLU 28 N -4.22 0.69 -4.28 5.31 0.00 -1.26 -1.02 120.64 115.85 1jxf n GLU 28 Ca 0.16 -3.56 -0.15 0.00 0.00 0.00 0.00 57.16 53.61 1jxf n GLU 28 Cb 0.59 1.40 -0.10 0.00 0.00 0.00 0.00 31.44 33.32 1jxf n GLU 28 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1jxf s VAL 29 N -2.94 1.06 -0.02 3.84 1.01 0.12 -2.80 120.40 120.66 1jxf s VAL 29 Ca 0.10 -2.04 0.01 0.00 0.00 0.00 0.00 61.98 60.04 1jxf s VAL 29 Cb 0.00 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.35 1jxf s VAL 29 CO 0.07 -0.56 -0.00 -0.75 0.00 0.00 0.00 175.10 173.85 1jxf s LYS 30 N -3.81 0.29 0.19 2.72 2.20 -0.28 -2.42 119.74 118.63 1jxf s LYS 30 Ca 0.22 0.05 0.06 0.00 -0.36 0.00 0.00 55.97 55.93 1jxf s LYS 30 Cb 0.04 -0.44 -0.04 0.00 -1.51 0.00 0.00 37.83 35.89 1jxf s LYS 30 CO 0.04 -0.10 0.16 -1.58 -0.36 0.00 0.00 175.35 173.51 1jxf s TRP 31 N 0.84 3.15 -0.02 4.03 0.51 0.53 -0.68 118.94 127.30 1jxf s TRP 31 Ca -0.08 -0.04 -0.00 0.00 -2.12 0.00 0.00 56.10 53.85 1jxf s TRP 31 Cb -0.12 -1.48 0.03 0.00 -0.81 0.00 0.00 33.47 31.09 1jxf s TRP 31 CO -0.01 0.52 0.03 0.08 -0.51 0.00 0.00 176.95 177.06 1jxf s VAL 32 N -1.87 -0.06 0.17 4.03 1.01 -1.14 -2.94 120.40 119.60 1jxf s VAL 32 Ca 0.32 0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.48 1jxf s VAL 32 Cb -0.09 -0.08 -0.05 0.00 0.00 0.00 0.00 36.38 36.15 1jxf s VAL 32 CO 0.24 0.09 0.40 0.20 0.00 0.00 0.00 175.10 176.03 1jxf s ASN 33 N 1.12 6.48 0.00 3.32 0.01 -1.24 0.19 114.94 124.82 1jxf s ASN 33 Ca -0.09 0.60 0.00 0.00 -0.71 0.00 0.00 52.86 52.66 1jxf s ASN 33 Cb -0.13 -2.09 0.00 0.00 0.41 0.00 0.00 41.25 39.44 1jxf s ASN 33 CO -0.03 0.02 0.00 0.59 -1.51 0.00 0.00 177.10 176.17 1jxf n ASN 34 N -0.09 0.00 -3.49 -1.22 3.02 -1.25 -4.72 115.26 107.50 1jxf n ASN 34 Ca -0.02 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.38 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 -0.54 -2.62 0.00 0.00 177.26 174.10 1jxf s LYS 35 N -0.30 1.73 -0.00 3.52 -0.14 -1.26 -4.82 119.74 118.47 1jxf s LYS 35 Ca 0.00 -1.76 -0.00 0.00 -1.36 0.00 0.00 55.97 52.85 1jxf s LYS 35 Cb 0.00 0.39 0.00 0.00 -1.68 0.00 0.00 37.83 36.54 1jxf s LYS 35 CO 0.00 -0.68 0.00 1.28 -0.76 0.00 0.00 175.35 175.19 1jxf n LEU 36 N -0.52 -2.00 -4.94 3.17 4.77 -1.26 -4.77 117.00 111.45 1jxf n LEU 36 Ca 0.03 -0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.77 1jxf n LEU 36 Cb 0.62 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1jxf n LEU 36 CO 0.30 0.00 0.32 -0.94 -1.33 0.00 0.00 177.39 175.74 1jxf s SER 37 N -3.00 5.85 0.79 -1.43 1.04 -1.26 -4.40 113.70 111.29 1jxf s SER 37 Ca 0.00 0.40 -0.11 0.00 0.48 0.00 0.00 55.95 56.72 1jxf s SER 37 Cb -0.00 -1.63 0.06 0.00 0.10 0.00 0.00 66.02 64.55 1jxf s SER 37 CO 0.00 -0.72 1.09 -2.16 0.98 0.00 0.00 173.24 172.43 1jxf s PRO 38 N -4.62 2.15 -0.01 4.02 0.04 -1.26 -5.10 135.00 130.23 1jxf s PRO 38 Ca 0.49 0.66 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1jxf s PRO 38 Cb -0.10 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.52 1jxf s PRO 38 CO 0.39 -1.58 -0.00 -1.01 0.04 0.00 0.00 177.00 174.84 1jxf s HIS 39 N -3.15 0.10 0.40 0.56 3.76 -1.25 -4.85 115.29 110.85 1jxf s HIS 39 Ca 0.61 0.01 0.04 0.00 -0.15 0.00 0.00 55.06 55.57 1jxf s HIS 39 Cb -0.14 -0.12 -0.05 0.00 1.11 0.00 0.00 32.58 33.38 1jxf s HIS 39 CO 0.54 -0.03 0.04 -0.80 -0.85 0.00 0.00 174.74 173.65 1jxf s ASN 40 N 0.24 3.19 -0.30 1.40 -0.87 -1.26 -2.06 114.94 115.30 1jxf s ASN 40 Ca -0.02 -1.47 -0.04 0.00 -1.57 0.00 0.00 52.86 49.77 1jxf s ASN 40 Cb -0.04 0.01 0.10 0.00 -0.02 0.00 0.00 41.25 41.31 1jxf s ASN 40 CO -0.01 -0.65 0.13 -0.63 -2.57 0.00 0.00 177.10 173.38 1jxf s ILE 41 N -3.03 -0.02 -0.17 0.60 1.01 -1.26 -4.56 121.20 113.77 1jxf s ILE 41 Ca 0.29 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 60.06 1jxf s ILE 41 Cb 0.07 -1.02 -0.02 0.00 0.01 0.00 0.00 42.46 41.50 1jxf s ILE 41 CO 0.14 -0.75 -0.07 0.68 0.00 0.00 0.00 174.94 174.95 1jxf s VAL 42 N 2.01 3.48 -0.54 2.92 -7.23 -1.14 -0.32 120.40 119.59 1jxf s VAL 42 Ca 0.10 -0.49 -0.19 0.00 -1.81 0.00 0.00 61.98 59.59 1jxf s VAL 42 Cb -0.17 -2.53 0.08 0.00 0.56 0.00 0.00 36.38 34.33 1jxf s VAL 42 CO -0.34 0.48 0.63 -0.36 -0.31 0.00 0.00 175.10 175.20 1jxf s PHE 43 N 0.71 3.05 -0.70 2.82 0.40 -1.26 -1.84 117.98 121.16 1jxf s PHE 43 Ca -0.03 -0.76 -0.27 0.00 -0.60 0.00 0.00 56.93 55.27 1jxf s PHE 43 Cb -0.15 -3.70 0.03 0.00 0.51 0.00 0.00 43.02 39.71 1jxf s PHE 43 CO 0.02 -1.11 1.29 0.00 0.70 0.00 0.00 175.22 176.12 1jxf s ALA 44 N 2.54 2.78 -0.94 5.36 0.00 0.12 -4.73 121.76 126.88 1jxf s ALA 44 Ca 0.12 -1.20 -0.26 0.00 0.00 0.00 0.00 51.96 50.62 1jxf s ALA 44 Cb -0.22 -4.21 -0.22 0.00 0.00 0.00 0.00 23.12 18.47 1jxf s ALA 44 CO 0.09 -3.17 2.56 0.00 0.00 0.00 0.00 175.76 175.24 1jxf n ALA 45 N 9.33 0.50 -3.82 0.00 0.00 -1.26 -4.01 120.51 121.25 1jxf n ALA 45 Ca 0.05 -0.48 -0.29 0.00 0.00 0.00 0.00 53.44 52.72 1jxf n ALA 45 Cb 0.49 -2.43 -0.13 0.00 0.00 0.00 0.00 19.45 17.39 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 7.81 4.05 0.00 0.00 1.11 -1.26 -4.73 116.67 123.65 1jxf s ASP 46 Ca 1.30 -3.24 0.00 0.00 0.18 0.00 0.00 52.55 50.78 1jxf s ASP 46 Cb -1.03 -1.37 0.00 0.00 1.07 0.00 0.00 42.92 41.59 1jxf s ASP 46 CO 0.47 -0.18 0.00 0.61 1.18 0.00 0.00 175.17 177.25 1jxf n GLY 47 N 2.76 2.28 3.53 0.21 0.00 -1.26 -4.64 105.19 108.07 1jxf n GLY 47 Ca 0.14 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.47 1.61 3.14 -1.22 -4.85 118.33 115.53 1jxf n VAL 48 Ca 0.00 -1.31 -0.29 0.00 -2.96 0.00 0.00 64.34 59.78 1jxf n VAL 48 Cb 0.00 -1.08 0.14 0.00 -1.06 0.00 0.00 33.84 31.83 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 -4.88 3.48 -0.10 6.55 1.11 -1.26 -4.93 116.67 116.64 1jxf s ASP 49 Ca 0.62 1.05 -0.01 0.00 0.18 0.00 0.00 52.55 54.39 1jxf s ASP 49 Cb -0.03 -1.66 -0.01 0.00 1.07 0.00 0.00 42.92 42.29 1jxf s ASP 49 CO 0.42 -2.58 0.01 0.00 1.18 0.00 0.00 175.17 174.20 1jxf h ALA 50 N -1.51 0.00 -0.08 5.23 0.00 -1.98 -2.94 119.26 117.98 1jxf h ALA 50 Ca -0.51 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.40 1jxf h ALA 50 Cb 1.32 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 1jxf h ALA 50 CO 0.61 0.03 -0.30 -0.44 0.00 0.00 0.00 179.25 179.15 1jxf h ASP 51 N -1.00 -0.92 -0.30 0.00 5.19 -1.97 0.70 116.42 118.12 1jxf h ASP 51 Ca -0.00 0.13 0.04 0.00 -0.62 0.00 0.00 57.03 56.58 1jxf h ASP 51 Cb 0.05 0.39 -0.07 0.00 0.18 0.00 0.00 39.33 39.88 1jxf h ASP 51 CO -0.00 -0.35 -0.46 0.74 -3.12 0.00 0.00 179.24 176.04 1jxf h THR 52 N -0.40 0.00 -0.64 0.35 2.02 -1.98 0.39 112.91 112.65 1jxf h THR 52 Ca 0.08 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.36 1jxf h THR 52 Cb 0.53 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 1jxf h THR 52 CO -0.31 0.00 0.43 0.00 0.37 0.00 0.00 175.52 176.01 1jxf h ALA 53 N -0.30 1.97 -0.03 6.16 0.00 -1.26 0.55 119.26 126.35 1jxf h ALA 53 Ca 0.05 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1jxf h ALA 53 Cb 0.51 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1jxf h ALA 53 CO -0.47 -0.11 0.09 0.00 0.00 0.00 0.00 179.25 178.75 1jxf h ALA 54 N 1.68 1.28 0.00 0.00 0.00 0.46 1.74 119.26 124.42 1jxf h ALA 54 Ca 0.29 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.90 1jxf h ALA 54 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1jxf h ALA 54 CO -0.09 -0.10 -1.77 1.17 0.00 0.00 0.00 179.25 178.46 1jxf n LYS 55 N -3.31 0.64 0.00 0.00 4.81 0.19 -3.78 118.16 116.70 1jxf n LYS 55 Ca -0.02 0.27 0.13 0.00 -0.87 0.00 0.00 58.31 57.82 1jxf n LYS 55 Cb 0.16 -1.77 0.40 0.00 0.02 0.00 0.00 35.03 33.84 1jxf n LYS 55 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1jxf n LEU 56 N -3.02 1.64 -4.64 3.14 4.32 0.75 -4.78 117.00 114.41 1jxf n LEU 56 Ca -0.18 -0.53 -0.42 0.00 -0.02 0.00 0.00 56.01 54.85 1jxf n LEU 56 Cb 1.06 -0.03 -0.04 0.00 -1.62 0.00 0.00 43.42 42.80 1jxf n LEU 56 CO 0.45 0.28 0.71 -0.55 -1.22 0.00 0.00 177.39 177.06 1jxf s SER 57 N -2.14 6.88 0.53 -1.43 0.15 0.56 -4.55 113.70 113.71 1jxf s SER 57 Ca 0.32 1.09 0.03 0.00 0.70 0.00 0.00 55.95 58.09 1jxf s SER 57 Cb 0.20 -2.46 0.03 0.00 -1.71 0.00 0.00 66.02 62.09 1jxf s SER 57 CO 0.39 -0.56 0.74 -1.00 1.20 0.00 0.00 173.24 174.01 1jxf s HIS 58 N 2.95 2.80 -0.36 3.44 3.76 0.56 -4.85 115.29 123.60 1jxf s HIS 58 Ca 0.37 -0.10 0.05 0.00 -0.15 0.00 0.00 55.06 55.23 1jxf s HIS 58 Cb -0.15 -2.69 0.22 0.00 1.11 0.00 0.00 32.58 31.07 1jxf s HIS 58 CO 0.07 -0.82 1.20 1.63 -0.85 0.00 0.00 174.74 175.98 1jxf n LYS 59 N -2.27 0.57 -4.37 1.40 5.02 -1.19 -3.74 118.16 113.58 1jxf n LYS 59 Ca 0.08 -1.16 -0.35 0.00 -2.02 0.00 0.00 58.31 54.87 1jxf n LYS 59 Cb 0.60 -0.14 -0.10 0.00 -0.02 0.00 0.00 35.03 35.37 1jxf n LYS 59 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1jxf s GLY 60 N -0.60 1.84 -0.09 0.72 0.00 -1.26 -4.97 107.32 102.96 1jxf s GLY 60 Ca 0.13 -0.81 -0.23 0.00 0.00 0.00 0.00 44.72 43.81 1jxf s GLY 60 CO -0.07 -0.50 0.70 1.08 0.00 0.00 0.00 173.10 174.31 1jxf s LEU 61 N -0.72 4.29 -0.25 0.66 2.01 -1.26 -3.98 118.68 119.42 1jxf s LEU 61 Ca 0.11 1.15 -0.20 0.00 0.01 0.00 0.00 54.13 55.20 1jxf s LEU 61 Cb -0.12 -3.07 -0.02 0.00 0.01 0.00 0.00 46.19 42.99 1jxf s LEU 61 CO 0.02 -0.15 0.62 0.00 1.01 0.00 0.00 176.35 177.85 1jxf s ALA 62 N 1.02 3.61 0.00 4.21 0.00 -0.87 -4.77 121.76 124.95 1jxf s ALA 62 Ca 0.37 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.89 1jxf s ALA 62 Cb -0.17 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1jxf s ALA 62 CO 0.17 -0.79 0.00 1.19 0.00 0.00 0.00 175.76 176.33 1jxf n PHE 63 N 5.66 -0.47 -3.07 0.00 3.01 -1.26 -3.92 117.46 117.41 1jxf n PHE 63 Ca -0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 1jxf n PHE 63 Cb 0.49 0.28 -0.06 0.00 -0.01 0.00 0.00 39.48 40.18 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 -1.55 3.50 -0.75 4.37 0.00 -1.26 -4.96 121.76 121.11 1jxf s ALA 64 Ca 0.00 -0.68 -0.25 0.00 0.00 0.00 0.00 51.96 51.03 1jxf s ALA 64 Cb 0.00 -3.19 -0.14 0.00 0.00 0.00 0.00 23.12 19.79 1jxf s ALA 64 CO 0.00 -1.23 2.41 0.00 0.00 0.00 0.00 175.76 176.94 1jxf n ALA 65 N 6.05 0.47 0.00 0.00 0.00 -1.26 -3.07 120.51 122.69 1jxf n ALA 65 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.18 1jxf n ALA 65 Cb 0.49 -3.21 0.00 0.00 0.00 0.00 0.00 19.45 16.73 1jxf n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jxf n GLY 66 N 6.58 0.00 2.97 0.00 0.00 -1.26 -5.13 105.19 108.35 1jxf n GLY 66 Ca 0.47 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.18 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 1.41 -0.19 1.61 0.41 -1.18 -5.07 118.70 115.69 1jxf s GLU 67 Ca 0.00 -1.68 -0.05 0.00 -0.41 0.00 0.00 54.97 52.83 1jxf s GLU 67 Cb 0.00 -2.97 -0.02 0.00 -1.78 0.00 0.00 34.13 29.36 1jxf s GLU 67 CO 0.00 -0.91 -0.01 -1.54 -0.49 0.00 0.00 175.26 172.31 1jxf s SER 68 N 1.05 4.79 0.62 -0.19 1.04 -1.26 -3.73 113.70 116.02 1jxf s SER 68 Ca 0.09 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.33 1jxf s SER 68 Cb -0.19 -1.81 0.07 0.00 0.10 0.00 0.00 66.02 64.19 1jxf s SER 68 CO -0.11 0.08 0.86 -0.36 0.98 0.00 0.00 173.24 174.70 1jxf s PHE 69 N 0.89 2.35 -0.00 5.02 0.08 -1.15 -4.80 117.98 120.36 1jxf s PHE 69 Ca 0.01 -0.13 -0.09 0.00 0.12 0.00 0.00 56.93 56.84 1jxf s PHE 69 Cb -0.14 -2.82 0.01 0.00 -0.57 0.00 0.00 43.02 39.49 1jxf s PHE 69 CO 0.02 -1.19 0.18 0.99 -0.10 0.00 0.00 175.22 175.12 1jxf s THR 70 N -2.90 0.08 0.01 0.64 2.01 -1.26 -0.35 115.64 113.87 1jxf s THR 70 Ca 0.61 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.98 1jxf s THR 70 Cb -0.08 -0.48 -0.01 0.00 0.01 0.00 0.00 72.50 71.94 1jxf s THR 70 CO 0.41 -0.35 -0.03 -0.55 -0.69 0.00 0.00 174.62 173.40 1jxf s SER 71 N -1.36 0.36 -0.48 3.53 0.15 -1.02 -4.94 113.70 109.94 1jxf s SER 71 Ca -0.14 -0.26 -0.20 0.00 0.70 0.00 0.00 55.95 56.05 1jxf s SER 71 Cb -0.07 0.02 0.04 0.00 -1.71 0.00 0.00 66.02 64.30 1jxf s SER 71 CO 0.02 -0.10 0.62 -0.89 1.20 0.00 0.00 173.24 174.09 1jxf s THR 72 N -0.68 4.86 -0.56 6.45 2.01 -1.26 -0.70 115.64 125.76 1jxf s THR 72 Ca -0.06 -0.28 -0.04 0.00 0.31 0.00 0.00 61.69 61.63 1jxf s THR 72 Cb -0.05 -4.25 0.09 0.00 0.01 0.00 0.00 72.50 68.30 1jxf s THR 72 CO -0.00 -0.72 2.67 0.49 -0.69 0.00 0.00 174.62 176.37 1jxf n PHE 73 N 6.19 1.81 0.12 4.92 3.01 -0.19 -4.62 117.46 128.70 1jxf n PHE 73 Ca -0.05 -2.04 -0.05 0.00 1.01 0.00 0.00 57.45 56.31 1jxf n PHE 73 Cb 0.46 -1.39 -0.03 0.00 -0.01 0.00 0.00 39.48 38.51 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 2.05 0.00 -2.52 4.37 2.02 -1.82 -2.23 112.91 114.78 1jxf h THR 74 Ca 0.43 -0.30 -0.53 0.00 0.77 0.00 0.00 66.41 66.79 1jxf h THR 74 Cb 0.62 0.00 0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1jxf h THR 74 CO 0.98 0.00 1.12 -0.70 0.37 0.00 0.00 175.52 177.29 1jxf s GLU 75 N -2.87 4.16 -0.10 6.66 2.12 -1.26 -3.67 118.70 123.74 1jxf s GLU 75 Ca -0.05 2.50 -0.30 0.00 0.36 0.00 0.00 54.97 57.48 1jxf s GLU 75 Cb 0.01 -3.83 -0.03 0.00 0.26 0.00 0.00 34.13 30.54 1jxf s GLU 75 CO 0.15 -0.86 1.24 -1.25 -0.54 0.00 0.00 175.26 174.01 1jxf s PRO 76 N 3.44 4.30 0.00 4.30 0.04 -1.26 -4.85 135.00 140.97 1jxf s PRO 76 Ca 0.81 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.54 1jxf s PRO 76 Cb -0.42 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.47 1jxf s PRO 76 CO 0.36 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 177.25 1jxf n GLY 77 N 3.49 -0.96 3.00 0.56 0.00 -1.20 -5.00 105.19 105.08 1jxf n GLY 77 Ca 0.12 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 1jxf n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jxf s THR 78 N -3.48 -0.04 -0.20 2.61 -1.32 -1.26 -2.50 115.64 109.46 1jxf s THR 78 Ca 0.00 0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.64 1jxf s THR 78 Cb 0.00 -0.32 0.05 0.00 -1.51 0.00 0.00 72.50 70.72 1jxf s THR 78 CO 0.00 0.06 -0.07 -0.31 -2.21 0.00 0.00 174.62 172.10 1jxf s TYR 79 N 1.18 2.09 -0.29 9.09 2.02 -1.14 -3.45 117.35 126.86 1jxf s TYR 79 Ca -0.09 -1.42 -0.16 0.00 -0.37 0.00 0.00 57.07 55.03 1jxf s TYR 79 Cb -0.11 -1.48 -0.03 0.00 -0.40 0.00 0.00 41.96 39.95 1jxf s TYR 79 CO -0.07 -0.70 0.41 0.95 -1.57 0.00 0.00 175.55 174.57 1jxf s THR 80 N 1.50 5.14 0.01 -0.71 -4.23 -1.26 -1.22 115.64 114.88 1jxf s THR 80 Ca -0.02 0.51 0.08 0.00 -1.18 0.00 0.00 61.69 61.09 1jxf s THR 80 Cb -0.17 -3.77 -0.02 0.00 1.34 0.00 0.00 72.50 69.88 1jxf s THR 80 CO -0.07 0.06 -0.25 -0.72 -0.54 0.00 0.00 174.62 173.10 1jxf s TYR 81 N 2.14 2.36 0.34 3.99 1.13 -1.15 0.10 117.35 126.27 1jxf s TYR 81 Ca 0.16 -0.40 0.07 0.00 -1.41 0.00 0.00 57.07 55.48 1jxf s TYR 81 Cb -0.16 -1.45 -0.02 0.00 -1.10 0.00 0.00 41.96 39.22 1jxf s TYR 81 CO 0.11 0.06 0.32 1.52 -2.51 0.00 0.00 175.55 175.05 1jxf s TYR 82 N -0.72 1.71 0.37 -3.49 -0.85 -0.77 0.11 117.35 113.71 1jxf s TYR 82 Ca 0.11 -1.64 -0.24 0.00 -0.52 0.00 0.00 57.07 54.78 1jxf s TYR 82 Cb -0.10 -0.63 -0.10 0.00 0.38 0.00 0.00 41.96 41.50 1jxf s TYR 82 CO 0.01 -0.93 0.95 0.00 -1.52 0.00 0.00 175.55 174.06 1jxf h GLU 84 N 2.61 -0.08 -0.00 0.00 5.08 -1.94 -2.59 114.58 117.65 1jxf h GLU 84 Ca -0.48 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 1jxf h GLU 84 Cb 1.19 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1jxf h GLU 84 CO 0.63 0.49 -0.05 -1.00 -1.00 0.00 0.00 179.01 178.08 1jxf h PRO 85 N -0.75 0.04 -1.81 2.33 0.13 -1.95 -3.28 132.00 126.71 1jxf h PRO 85 Ca -0.01 -0.04 -0.47 0.00 -0.87 0.00 0.00 66.00 64.62 1jxf h PRO 85 Cb 0.61 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 31.57 1jxf h PRO 85 CO 0.01 0.77 0.44 0.72 -0.23 0.00 0.00 178.00 179.72 1jxf n HIS 86 N -4.69 1.71 0.16 1.56 8.25 -1.26 -4.54 115.22 116.41 1jxf n HIS 86 Ca -0.09 -2.02 -0.13 0.00 -0.26 0.00 0.00 57.72 55.22 1jxf n HIS 86 Cb 0.39 -1.26 -0.08 0.00 1.12 0.00 0.00 29.99 30.17 1jxf n HIS 86 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1jxf h ARG 87 N 2.51 -0.43 -2.29 -0.41 2.43 -1.52 -3.33 114.38 111.33 1jxf h ARG 87 Ca 0.38 0.03 -0.73 0.00 -0.81 0.00 0.00 59.98 58.85 1jxf h ARG 87 Cb 0.76 0.10 -0.32 0.00 -0.42 0.00 0.00 29.97 30.08 1jxf h ARG 87 CO 0.90 -0.11 0.45 0.41 -1.51 0.00 0.00 179.97 180.11 1jxf n GLY 88 N -0.17 5.91 0.89 2.80 0.00 -1.26 -4.48 105.19 108.87 1jxf n GLY 88 Ca -0.09 -2.66 0.00 0.00 0.00 0.00 0.00 46.02 43.27 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 -0.04 2.61 0.00 4.61 0.00 -1.25 -5.05 120.51 121.39 1jxf n ALA 89 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1jxf n ALA 89 Cb 0.31 0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 2.42 0.00 2.71 0.00 0.00 -1.26 -5.14 105.19 103.92 1jxf n GLY 90 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.29 0.15 1.61 -2.45 -1.26 -4.92 119.30 112.73 1jxf s MET 91 Ca 0.00 -0.23 -0.04 0.00 -1.25 0.00 0.00 55.69 54.17 1jxf s MET 91 Cb 0.00 -0.78 -0.03 0.00 1.25 0.00 0.00 34.83 35.27 1jxf s MET 91 CO 0.00 -1.02 0.15 0.08 1.05 0.00 0.00 175.02 175.28 1jxf s VAL 92 N 2.30 0.08 0.30 10.11 1.01 -1.26 -3.14 120.40 129.79 1jxf s VAL 92 Ca 0.09 -1.73 0.03 0.00 0.00 0.00 0.00 61.98 60.37 1jxf s VAL 92 Cb -0.14 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1jxf s VAL 92 CO -0.34 -0.34 0.17 -0.83 0.00 0.00 0.00 175.10 173.76 1jxf s GLY 93 N -3.03 2.04 -0.01 4.51 0.00 0.30 -4.56 107.32 106.56 1jxf s GLY 93 Ca 0.23 -1.78 -0.08 0.00 0.00 0.00 0.00 44.72 43.10 1jxf s GLY 93 CO 0.03 -1.56 0.15 1.25 0.00 0.00 0.00 173.10 172.96 1jxf s LYS 94 N -3.81 0.45 0.03 2.90 2.20 0.06 -2.91 119.74 118.67 1jxf s LYS 94 Ca 0.36 -0.30 0.06 0.00 -0.36 0.00 0.00 55.97 55.73 1jxf s LYS 94 Cb 0.05 0.19 -0.02 0.00 -1.51 0.00 0.00 37.83 36.54 1jxf s LYS 94 CO 0.18 -0.11 -0.17 0.08 -0.36 0.00 0.00 175.35 174.97 1jxf s VAL 95 N -1.17 1.39 -0.05 4.02 1.01 -0.36 -3.69 120.40 121.55 1jxf s VAL 95 Ca -0.13 -1.03 -0.02 0.00 0.00 0.00 0.00 61.98 60.80 1jxf s VAL 95 Cb -0.07 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 35.13 1jxf s VAL 95 CO 0.02 0.16 0.04 -0.69 0.00 0.00 0.00 175.10 174.62 1jxf s VAL 96 N -0.74 0.07 -0.02 2.92 1.01 -0.85 -2.89 120.40 119.89 1jxf s VAL 96 Ca 0.05 0.31 0.07 0.00 0.00 0.00 0.00 61.98 62.41 1jxf s VAL 96 Cb -0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 1jxf s VAL 96 CO 0.01 0.21 -0.24 -0.69 0.00 0.00 0.00 175.10 174.39 1jxf s VAL 97 N 2.06 1.87 0.00 2.92 1.01 -1.04 -2.37 120.40 124.85 1jxf s VAL 97 Ca 0.04 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1jxf s VAL 97 Cb -0.12 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1jxf s VAL 97 CO -0.04 0.53 0.00 0.47 0.00 0.00 0.00 175.10 176.06