#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 6.14 0.74 0.00 2.20 -1.26 -4.87 114.94 117.90 1jxf s ASN 2 Ca 0.00 1.57 -0.11 0.00 -0.94 0.00 0.00 52.86 53.37 1jxf s ASN 2 Cb 0.00 -2.50 0.03 0.00 -2.00 0.00 0.00 41.25 36.79 1jxf s ASN 2 CO 0.00 -0.92 1.09 0.00 -2.94 0.00 0.00 177.10 174.33 1jxf s ALA 3 N -2.86 2.59 -0.04 3.54 0.00 -1.24 -4.92 121.76 118.83 1jxf s ALA 3 Ca 0.58 -0.21 -0.00 0.00 0.00 0.00 0.00 51.96 52.33 1jxf s ALA 3 Cb -0.12 -3.09 0.03 0.00 0.00 0.00 0.00 23.12 19.94 1jxf s ALA 3 CO 0.44 -1.39 0.00 0.99 0.00 0.00 0.00 175.76 175.81 1jxf s THR 4 N -3.21 0.23 0.09 0.00 2.01 -1.26 -2.08 115.64 111.42 1jxf s THR 4 Ca 0.59 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.71 1jxf s THR 4 Cb -0.13 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 1jxf s THR 4 CO 0.53 0.18 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.92 1jxf s VAL 5 N 1.37 0.50 0.13 3.82 1.01 -0.25 -4.35 120.40 122.63 1jxf s VAL 5 Ca -0.05 -1.90 0.07 0.00 0.00 0.00 0.00 61.98 60.10 1jxf s VAL 5 Cb -0.13 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1jxf s VAL 5 CO -0.02 -0.85 -0.16 -0.54 0.00 0.00 0.00 175.10 173.53 1jxf s LYS 6 N -3.88 1.09 -0.29 2.72 1.02 -0.91 0.20 119.74 119.69 1jxf s LYS 6 Ca 0.12 -1.27 0.04 0.00 0.02 0.00 0.00 55.97 54.88 1jxf s LYS 6 Cb 0.06 -1.06 0.49 0.00 -0.52 0.00 0.00 37.83 36.81 1jxf s LYS 6 CO -0.05 0.21 1.61 0.00 -0.92 0.00 0.00 175.35 176.20 1jxf n MET 7 N 0.53 2.19 0.00 1.68 0.00 0.62 -4.06 117.12 118.08 1jxf n MET 7 Ca -0.15 -2.14 0.00 0.00 0.00 0.00 0.00 57.70 55.41 1jxf n MET 7 Cb 0.57 -1.87 0.00 0.00 0.00 0.00 0.00 33.22 31.92 1jxf n MET 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jxf n GLY 8 N -0.48 -0.83 3.29 3.17 0.00 -0.85 -4.55 105.19 104.94 1jxf n GLY 8 Ca 0.39 0.07 -0.11 0.00 0.00 0.00 0.00 46.02 46.37 1jxf n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jxf s SER 9 N -4.00 -0.19 -1.31 1.61 0.01 -1.21 -4.27 113.70 104.34 1jxf s SER 9 Ca 0.00 -0.21 -0.11 0.00 1.31 0.00 0.00 55.95 56.94 1jxf s SER 9 Cb 0.00 0.42 0.14 0.00 0.21 0.00 0.00 66.02 66.79 1jxf s SER 9 CO 0.00 -0.72 1.92 0.47 0.41 0.00 0.00 173.24 175.32 1jxf n ASP 10 N 0.22 4.87 0.00 2.44 9.92 -1.26 -4.16 116.55 128.58 1jxf n ASP 10 Ca -0.17 -3.05 0.00 0.00 -0.53 0.00 0.00 54.79 51.03 1jxf n ASP 10 Cb 0.61 -1.52 0.00 0.00 -0.64 0.00 0.00 41.12 39.57 1jxf n ASP 10 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1jxf n SER 11 N 4.42 0.00 0.00 -2.24 2.88 -1.26 -5.06 113.62 112.37 1jxf n SER 11 Ca 0.42 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 1jxf n SER 11 Cb 0.37 0.36 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 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 -1.47 0.00 2.99 0.46 0.00 -1.26 -5.12 105.19 100.79 1jxf n GLY 12 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1jxf n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jxf s ALA 13 N 0.00 -0.41 -0.65 4.61 0.00 -1.26 -5.07 121.76 118.97 1jxf s ALA 13 Ca 0.00 0.84 -0.27 0.00 0.00 0.00 0.00 51.96 52.53 1jxf s ALA 13 Cb 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.58 1jxf s ALA 13 CO 0.00 -0.18 1.55 -0.48 0.00 0.00 0.00 175.76 176.66 1jxf s LEU 14 N 1.21 3.26 0.26 0.00 0.05 -1.26 -3.30 118.68 118.90 1jxf s LEU 14 Ca -0.09 0.03 0.02 0.00 0.05 0.00 0.00 54.13 54.14 1jxf s LEU 14 Cb -0.11 -2.65 -0.04 0.00 -2.05 0.00 0.00 46.19 41.35 1jxf s LEU 14 CO -0.07 -2.04 0.16 0.68 -0.55 0.00 0.00 176.35 174.53 1jxf s VAL 15 N 7.20 0.19 -0.23 1.48 -7.23 -1.26 -4.89 120.40 115.66 1jxf s VAL 15 Ca 0.52 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.70 1jxf s VAL 15 Cb -0.11 -2.52 0.06 0.00 0.56 0.00 0.00 36.38 34.37 1jxf s VAL 15 CO 0.19 0.00 -0.08 -0.36 -0.31 0.00 0.00 175.10 174.54 1jxf s PHE 16 N -3.80 2.65 -0.08 2.82 0.08 -1.26 -2.01 117.98 116.38 1jxf s PHE 16 Ca 0.38 -1.88 -0.06 0.00 0.12 0.00 0.00 56.93 55.49 1jxf s PHE 16 Cb 0.06 -1.69 0.03 0.00 -0.57 0.00 0.00 43.02 40.84 1jxf s PHE 16 CO 0.17 -0.80 0.21 -2.00 -0.10 0.00 0.00 175.22 172.69 1jxf s GLU 17 N 1.31 0.20 0.21 0.44 2.12 -1.26 -2.51 118.70 119.22 1jxf s GLU 17 Ca -0.06 0.38 -0.30 0.00 0.36 0.00 0.00 54.97 55.35 1jxf s GLU 17 Cb -0.19 -0.01 -0.08 0.00 0.26 0.00 0.00 34.13 34.11 1jxf s GLU 17 CO -0.06 -0.09 1.11 -1.25 -0.54 0.00 0.00 175.26 174.42 1jxf s PRO 18 N 0.66 4.60 0.56 4.30 0.04 -1.26 -2.15 135.00 141.74 1jxf s PRO 18 Ca -0.05 1.76 0.28 0.00 0.04 0.00 0.00 61.00 63.04 1jxf s PRO 18 Cb -0.06 -3.25 1.65 0.00 0.04 0.00 0.00 34.50 32.88 1jxf s PRO 18 CO -0.04 0.10 2.17 0.66 0.04 0.00 0.00 177.00 179.94 1jxf h SER 19 N 4.76 0.00 -3.42 6.66 4.64 -1.83 -3.40 113.55 120.96 1jxf h SER 19 Ca -0.45 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.45 1jxf h SER 19 Cb 1.21 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.96 1jxf h SER 19 CO 0.71 0.06 -0.78 0.42 -0.87 0.00 0.00 176.83 176.37 1jxf s THR 20 N -4.43 0.57 -0.01 2.95 -4.23 -1.25 -0.58 115.64 108.64 1jxf s THR 20 Ca -0.04 -0.11 0.02 0.00 -1.18 0.00 0.00 61.69 60.37 1jxf s THR 20 Cb 0.14 -0.60 0.00 0.00 1.34 0.00 0.00 72.50 73.38 1jxf s THR 20 CO 0.57 0.24 -0.06 0.68 -0.54 0.00 0.00 174.62 175.51 1jxf s VAL 21 N 1.08 0.50 -0.20 2.29 -7.23 -1.20 -5.04 120.40 110.59 1jxf s VAL 21 Ca -0.08 -0.23 -0.00 0.00 -1.81 0.00 0.00 61.98 59.85 1jxf s VAL 21 Cb -0.14 -0.45 0.05 0.00 0.56 0.00 0.00 36.38 36.40 1jxf s VAL 21 CO -0.01 0.16 -0.04 -0.89 -0.31 0.00 0.00 175.10 174.01 1jxf s THR 22 N 0.09 1.24 0.54 5.32 2.01 -1.25 -0.75 115.64 122.83 1jxf s THR 22 Ca -0.01 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.12 1jxf s THR 22 Cb -0.05 -1.49 0.01 0.00 0.01 0.00 0.00 72.50 70.98 1jxf s THR 22 CO -0.00 -0.01 0.12 2.30 -0.69 0.00 0.00 174.62 176.34 1jxf n ILE 23 N 4.80 0.00 -1.94 1.82 -6.64 -1.01 -4.96 119.36 111.44 1jxf n ILE 23 Ca -0.12 -2.43 -0.29 0.00 -1.77 0.00 0.00 62.75 58.15 1jxf n ILE 23 Cb 0.46 0.36 0.08 0.00 -1.44 0.00 0.00 39.64 39.10 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 -4.02 2.14 0.21 6.28 1.02 -1.26 0.40 119.74 124.51 1jxf s LYS 24 Ca 0.09 0.12 -0.20 0.00 0.02 0.00 0.00 55.97 56.00 1jxf s LYS 24 Cb -0.01 -1.99 -0.08 0.00 -0.52 0.00 0.00 37.83 35.23 1jxf s LYS 24 CO 0.06 -1.46 0.72 0.00 -0.92 0.00 0.00 175.35 173.75 1jxf s ALA 25 N -3.50 3.42 0.00 5.17 0.00 -1.25 -3.59 121.76 122.02 1jxf s ALA 25 Ca 0.61 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.75 1jxf s ALA 25 Cb -0.11 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1jxf s ALA 25 CO 0.49 0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.99 1jxf n GLY 26 N 0.84 0.54 3.90 0.00 0.00 0.21 -4.95 105.19 105.73 1jxf n GLY 26 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.92 0.54 -4.31 1.61 4.07 -1.14 -4.85 120.64 113.64 1jxf n GLU 27 Ca 0.00 -3.08 -0.22 0.00 -0.06 0.00 0.00 57.16 53.80 1jxf n GLU 27 Cb 0.00 -0.28 -0.13 0.00 -0.06 0.00 0.00 31.44 30.98 1jxf n GLU 27 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1jxf s GLU 28 N -4.67 1.03 0.11 5.31 2.56 -1.26 -1.01 118.70 120.78 1jxf s GLU 28 Ca 0.61 -1.00 0.09 0.00 0.00 0.00 0.00 54.97 54.67 1jxf s GLU 28 Cb -0.05 -1.15 -0.04 0.00 2.00 0.00 0.00 34.13 34.89 1jxf s GLU 28 CO 0.39 0.27 -0.20 0.08 -0.56 0.00 0.00 175.26 175.24 1jxf s VAL 29 N -1.10 2.69 -0.00 3.70 1.01 -1.04 -3.66 120.40 122.01 1jxf s VAL 29 Ca 0.03 -1.54 0.07 0.00 0.00 0.00 0.00 61.98 60.54 1jxf s VAL 29 Cb -0.09 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1jxf s VAL 29 CO 0.03 0.12 -0.22 -0.75 0.00 0.00 0.00 175.10 174.27 1jxf s LYS 30 N -2.06 1.73 0.57 2.72 2.36 -0.89 -2.05 119.74 122.13 1jxf s LYS 30 Ca 0.17 -0.85 0.06 0.00 -2.55 0.00 0.00 55.97 52.80 1jxf s LYS 30 Cb -0.10 -1.73 0.06 0.00 -1.05 0.00 0.00 37.83 35.01 1jxf s LYS 30 CO 0.09 0.47 0.52 -1.58 1.55 0.00 0.00 175.35 176.40 1jxf s TRP 31 N -0.60 1.41 0.07 4.03 0.51 -0.99 -1.09 118.94 122.27 1jxf s TRP 31 Ca 0.09 -0.86 0.01 0.00 -2.12 0.00 0.00 56.10 53.22 1jxf s TRP 31 Cb -0.09 -1.97 -0.04 0.00 -0.81 0.00 0.00 33.47 30.57 1jxf s TRP 31 CO -0.00 -0.73 -0.06 0.08 -0.51 0.00 0.00 176.95 175.74 1jxf s VAL 32 N -2.78 0.48 0.32 4.03 1.01 0.54 -4.10 120.40 119.90 1jxf s VAL 32 Ca 0.40 -1.60 -0.05 0.00 0.00 0.00 0.00 61.98 60.72 1jxf s VAL 32 Cb -0.03 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 1jxf s VAL 32 CO 0.25 -0.76 0.60 0.21 0.00 0.00 0.00 175.10 175.41 1jxf s ASN 33 N -2.52 6.43 0.34 3.32 3.84 -0.98 -0.28 114.94 125.10 1jxf s ASN 33 Ca 0.03 0.78 -0.00 0.00 0.21 0.00 0.00 52.86 53.87 1jxf s ASN 33 Cb 0.01 -2.17 0.00 0.00 -0.55 0.00 0.00 41.25 38.54 1jxf s ASN 33 CO -0.04 -0.26 0.44 0.59 -2.79 0.00 0.00 177.10 175.04 1jxf n ASN 34 N -1.15 -1.23 -4.04 -4.21 4.13 -1.26 -4.65 115.26 102.85 1jxf n ASN 34 Ca -0.01 -2.90 -0.29 0.00 1.68 0.00 0.00 54.58 53.05 1jxf n ASN 34 Cb 0.54 2.35 0.20 0.00 -1.54 0.00 0.00 39.78 41.32 1jxf n ASN 34 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1jxf s LYS 35 N -2.87 0.49 -0.16 3.52 1.02 -1.26 -4.71 119.74 115.77 1jxf s LYS 35 Ca 0.30 -0.58 -0.01 0.00 0.02 0.00 0.00 55.97 55.70 1jxf s LYS 35 Cb -0.00 -1.87 -0.01 0.00 -0.52 0.00 0.00 37.83 35.42 1jxf s LYS 35 CO 0.22 -2.48 0.14 1.28 -0.92 0.00 0.00 175.35 173.59 1jxf n LEU 36 N -3.76 -2.60 -4.93 3.17 4.32 -1.26 -4.84 117.00 107.09 1jxf n LEU 36 Ca 0.17 -0.10 -0.25 0.00 -0.02 0.00 0.00 56.01 55.81 1jxf n LEU 36 Cb 0.59 -1.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.40 1jxf n LEU 36 CO 0.43 -0.01 0.29 -0.94 -1.22 0.00 0.00 177.39 175.94 1jxf s SER 37 N -2.92 6.11 0.69 -1.43 1.04 -1.26 -4.29 113.70 111.63 1jxf s SER 37 Ca 0.06 0.53 -0.11 0.00 0.48 0.00 0.00 55.95 56.91 1jxf s SER 37 Cb -0.01 -1.92 0.00 0.00 0.10 0.00 0.00 66.02 64.20 1jxf s SER 37 CO 0.12 -0.53 1.06 -2.16 0.98 0.00 0.00 173.24 172.70 1jxf s PRO 38 N -4.53 2.97 -0.09 4.02 0.04 -1.26 -5.17 135.00 130.97 1jxf s PRO 38 Ca 0.45 0.98 -0.02 0.00 0.04 0.00 0.00 61.00 62.44 1jxf s PRO 38 Cb -0.10 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.48 1jxf s PRO 38 CO 0.39 -1.08 0.03 -1.01 0.04 0.00 0.00 177.00 175.38 1jxf s HIS 39 N -3.00 0.46 0.49 0.56 3.76 -1.26 -5.02 115.29 111.28 1jxf s HIS 39 Ca 0.58 -0.13 0.06 0.00 -0.15 0.00 0.00 55.06 55.42 1jxf s HIS 39 Cb -0.14 -0.71 -0.00 0.00 1.11 0.00 0.00 32.58 32.83 1jxf s HIS 39 CO 0.54 -0.34 0.27 1.21 -0.85 0.00 0.00 174.74 175.57 1jxf s ASN 40 N 2.04 4.53 -0.23 1.40 2.47 -1.26 -3.98 114.94 119.92 1jxf s ASN 40 Ca 0.04 -1.22 -0.03 0.00 0.42 0.00 0.00 52.86 52.07 1jxf s ASN 40 Cb -0.13 0.08 0.10 0.00 -1.45 0.00 0.00 41.25 39.85 1jxf s ASN 40 CO -0.05 -0.86 0.23 -0.63 -3.72 0.00 0.00 177.10 172.07 1jxf s ILE 41 N -2.71 -0.33 -0.06 -5.21 1.01 -1.26 -4.37 121.20 108.27 1jxf s ILE 41 Ca 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.73 1jxf s ILE 41 Cb 0.00 -0.77 0.03 0.00 0.01 0.00 0.00 42.46 41.73 1jxf s ILE 41 CO 0.19 -0.29 0.02 0.54 0.00 0.00 0.00 174.94 175.40 1jxf s VAL 42 N 2.32 0.18 0.49 2.92 0.11 -1.13 -1.26 120.40 124.04 1jxf s VAL 42 Ca 0.08 0.24 -0.09 0.00 -2.93 0.00 0.00 61.98 59.28 1jxf s VAL 42 Cb -0.15 -0.37 -0.05 0.00 -1.53 0.00 0.00 36.38 34.27 1jxf s VAL 42 CO -0.18 0.22 0.85 -0.36 -3.33 0.00 0.00 175.10 172.30 1jxf s PHE 43 N 1.99 3.54 -0.00 1.54 0.08 -1.26 -3.18 117.98 120.69 1jxf s PHE 43 Ca 0.04 1.03 0.08 0.00 0.12 0.00 0.00 56.93 58.20 1jxf s PHE 43 Cb -0.12 -2.47 -0.02 0.00 -0.57 0.00 0.00 43.02 39.84 1jxf s PHE 43 CO -0.04 -0.33 -0.26 0.00 -0.10 0.00 0.00 175.22 174.49 1jxf s ALA 44 N -2.73 2.17 -1.06 5.36 0.00 -0.65 -4.71 121.76 120.13 1jxf s ALA 44 Ca 0.51 -1.15 -0.25 0.00 0.00 0.00 0.00 51.96 51.06 1jxf s ALA 44 Cb -0.10 -0.53 -0.16 0.00 0.00 0.00 0.00 23.12 22.32 1jxf s ALA 44 CO 0.42 0.53 2.09 0.00 0.00 0.00 0.00 175.76 178.80 1jxf s ALA 45 N -0.66 0.94 -0.88 0.00 0.00 -1.26 -3.71 121.76 116.19 1jxf s ALA 45 Ca 0.10 -1.58 -0.01 0.00 0.00 0.00 0.00 51.96 50.47 1jxf s ALA 45 Cb -0.10 -4.67 0.23 0.00 0.00 0.00 0.00 23.12 18.58 1jxf s ALA 45 CO -0.00 -6.20 0.83 -0.25 0.00 0.00 0.00 175.76 170.14 1jxf n ASP 46 N 17.73 4.31 0.00 0.00 9.92 -1.26 -4.59 116.55 142.66 1jxf n ASP 46 Ca 0.43 -3.19 0.00 0.00 -0.53 0.00 0.00 54.79 51.50 1jxf n ASP 46 Cb 0.46 -1.02 0.00 0.00 -0.64 0.00 0.00 41.12 39.92 1jxf n ASP 46 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jxf n GLY 47 N 2.05 2.48 3.81 0.44 0.00 -1.26 -4.61 105.19 108.10 1jxf n GLY 47 Ca 0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.47 0.00 -2.62 1.61 3.14 -1.25 -4.82 118.33 113.91 1jxf n VAL 48 Ca 0.00 -1.70 -0.34 0.00 -2.96 0.00 0.00 64.34 59.35 1jxf n VAL 48 Cb 0.00 -0.74 -0.05 0.00 -1.06 0.00 0.00 33.84 32.00 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 -4.78 6.54 0.00 6.55 1.01 -1.26 -4.84 116.67 119.89 1jxf s ASP 49 Ca 0.63 1.84 0.00 0.00 0.71 0.00 0.00 52.55 55.72 1jxf s ASP 49 Cb -0.04 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.34 1jxf s ASP 49 CO 0.41 -0.64 0.78 0.00 0.21 0.00 0.00 175.17 175.92 1jxf n ALA 50 N -0.90 -0.38 -0.54 5.23 0.00 -1.26 -0.87 120.51 121.79 1jxf n ALA 50 Ca 0.08 0.00 0.44 0.00 0.00 0.00 0.00 53.44 53.96 1jxf n ALA 50 Cb 0.53 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.72 1jxf n ALA 50 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1jxf h ASP 51 N 0.00 0.12 0.00 0.00 3.32 -1.99 0.36 116.42 118.23 1jxf h ASP 51 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1jxf h ASP 51 Cb 0.00 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1jxf h ASP 51 CO 0.00 -0.10 0.00 0.41 -1.72 0.00 0.00 179.24 177.83 1jxf n THR 52 N -4.34 0.00 -0.37 0.35 -1.04 -1.09 -2.88 114.28 104.92 1jxf n THR 52 Ca 0.39 0.75 0.33 0.00 -2.04 0.00 0.00 64.05 63.48 1jxf n THR 52 Cb 1.67 -1.46 0.60 0.00 -1.82 0.00 0.00 70.33 69.31 1jxf n THR 52 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jxf h ALA 53 N -2.00 2.33 -0.17 2.41 0.00 -0.04 0.71 119.26 122.49 1jxf h ALA 53 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1jxf h ALA 53 Cb 0.00 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1jxf h ALA 53 CO 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 179.25 178.20 1jxf n ALA 54 N -2.34 -0.11 -0.25 0.00 0.00 0.12 0.20 120.51 118.13 1jxf n ALA 54 Ca 0.37 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.87 1jxf n ALA 54 Cb 1.31 0.37 0.30 0.00 0.00 0.00 0.00 19.45 21.43 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 0.86 0.00 0.00 1.63 -0.81 0.51 116.57 118.76 1jxf h LYS 55 Ca 0.00 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1jxf h LYS 55 Cb 0.00 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.44 1jxf h LYS 55 CO 0.00 0.57 0.00 -0.07 -3.45 0.00 0.00 179.45 176.50 1jxf h LEU 56 N 0.89 0.00 -9.19 5.20 4.07 0.96 -3.40 115.31 113.83 1jxf h LEU 56 Ca 0.36 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.74 1jxf h LEU 56 Cb 0.26 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.92 1jxf h LEU 56 CO -0.13 0.00 0.14 -0.44 -1.08 0.00 0.00 178.44 176.92 1jxf s SER 57 N -5.15 6.79 -0.68 -0.43 0.01 0.55 -4.63 113.70 110.16 1jxf s SER 57 Ca -0.03 0.96 -0.26 0.00 1.31 0.00 0.00 55.95 57.93 1jxf s SER 57 Cb 0.11 -2.37 0.04 0.00 0.21 0.00 0.00 66.02 64.01 1jxf s SER 57 CO 0.42 -0.24 1.15 -1.00 0.41 0.00 0.00 173.24 173.99 1jxf s HIS 58 N 1.61 2.47 -1.07 2.43 3.76 -0.39 -4.85 115.29 119.25 1jxf s HIS 58 Ca 0.32 -0.12 -0.04 0.00 -0.15 0.00 0.00 55.06 55.06 1jxf s HIS 58 Cb -0.16 -4.47 0.14 0.00 1.11 0.00 0.00 32.58 29.20 1jxf s HIS 58 CO 0.12 -1.84 2.38 1.63 -0.85 0.00 0.00 174.74 176.19 1jxf n LYS 59 N 8.64 4.16 -4.43 1.40 5.02 -1.26 -4.03 118.16 127.66 1jxf n LYS 59 Ca 0.02 -3.39 -0.24 0.00 -2.02 0.00 0.00 58.31 52.68 1jxf n LYS 59 Cb 0.48 -2.49 -0.08 0.00 -0.02 0.00 0.00 35.03 32.93 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 0.07 2.59 -0.09 0.72 0.00 -1.26 -5.14 107.32 104.21 1jxf s GLY 60 Ca 0.53 -1.53 0.04 0.00 0.00 0.00 0.00 44.72 43.76 1jxf s GLY 60 CO -0.14 -1.68 -0.22 1.08 0.00 0.00 0.00 173.10 172.14 1jxf s LEU 61 N -3.53 2.01 -0.26 0.66 2.01 -1.26 -4.60 118.68 113.71 1jxf s LEU 61 Ca 0.30 -0.50 0.01 0.00 0.01 0.00 0.00 54.13 53.95 1jxf s LEU 61 Cb 0.02 -1.29 0.07 0.00 0.01 0.00 0.00 46.19 44.99 1jxf s LEU 61 CO 0.21 0.15 -0.03 0.00 1.01 0.00 0.00 176.35 177.68 1jxf s ALA 62 N 0.34 2.11 -0.43 4.21 0.00 -1.26 -4.99 121.76 121.74 1jxf s ALA 62 Ca -0.16 -1.58 0.08 0.00 0.00 0.00 0.00 51.96 50.30 1jxf s ALA 62 Cb -0.17 -1.53 0.42 0.00 0.00 0.00 0.00 23.12 21.83 1jxf s ALA 62 CO 0.07 -1.30 1.04 1.19 0.00 0.00 0.00 175.76 176.77 1jxf n PHE 63 N 4.61 2.88 -3.82 0.00 3.72 -1.26 -4.30 117.46 119.28 1jxf n PHE 63 Ca -0.09 -3.16 -0.12 0.00 -0.05 0.00 0.00 57.45 54.02 1jxf n PHE 63 Cb 0.43 -0.20 -0.12 0.00 -0.94 0.00 0.00 39.48 38.65 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 -3.40 -0.37 -1.58 4.37 0.00 -1.26 -5.04 121.76 114.47 1jxf s ALA 64 Ca 0.43 0.41 -0.10 0.00 0.00 0.00 0.00 51.96 52.70 1jxf s ALA 64 Cb 0.40 -0.24 -0.08 0.00 0.00 0.00 0.00 23.12 23.20 1jxf s ALA 64 CO -0.13 -0.07 2.94 0.00 0.00 0.00 0.00 175.76 178.50 1jxf n ALA 65 N 2.96 7.52 0.00 0.00 0.00 -1.26 -3.24 120.51 126.49 1jxf n ALA 65 Ca -0.13 -3.54 0.00 0.00 0.00 0.00 0.00 53.44 49.77 1jxf n ALA 65 Cb 0.59 -3.32 0.00 0.00 0.00 0.00 0.00 19.45 16.72 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 3.44 0.00 3.31 0.00 0.00 -1.26 -5.05 105.19 105.63 1jxf n GLY 66 Ca 0.77 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.47 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 2.83 -0.03 1.61 0.41 -1.20 -5.02 118.70 117.30 1jxf s GLU 67 Ca 0.00 -0.82 0.01 0.00 -0.41 0.00 0.00 54.97 53.75 1jxf s GLU 67 Cb 0.00 -2.33 0.02 0.00 -1.78 0.00 0.00 34.13 30.04 1jxf s GLU 67 CO 0.00 0.34 -0.02 -1.12 -0.49 0.00 0.00 175.26 173.97 1jxf s SER 68 N -0.03 0.50 0.45 -0.19 0.01 -1.26 -2.31 113.70 110.87 1jxf s SER 68 Ca -0.06 -0.05 0.08 0.00 1.31 0.00 0.00 55.95 57.23 1jxf s SER 68 Cb -0.15 -0.22 0.02 0.00 0.21 0.00 0.00 66.02 65.88 1jxf s SER 68 CO 0.05 -0.06 0.61 -0.36 0.41 0.00 0.00 173.24 173.89 1jxf s PHE 69 N 0.76 2.56 -0.02 2.43 0.08 -1.26 -4.87 117.98 117.66 1jxf s PHE 69 Ca -0.08 -0.46 0.01 0.00 0.12 0.00 0.00 56.93 56.52 1jxf s PHE 69 Cb -0.11 -2.35 0.00 0.00 -0.57 0.00 0.00 43.02 39.99 1jxf s PHE 69 CO -0.01 -0.55 -0.05 0.95 -0.10 0.00 0.00 175.22 175.46 1jxf s THR 70 N -2.41 0.44 0.06 0.64 -4.23 -1.26 -2.36 115.64 106.53 1jxf s THR 70 Ca 0.56 -0.19 0.08 0.00 -1.18 0.00 0.00 61.69 60.97 1jxf s THR 70 Cb -0.09 -0.41 -0.03 0.00 1.34 0.00 0.00 72.50 73.31 1jxf s THR 70 CO 0.34 0.15 -0.22 -0.55 -0.54 0.00 0.00 174.62 173.80 1jxf s SER 71 N 0.20 2.68 -0.36 3.99 0.15 -0.87 -4.97 113.70 114.51 1jxf s SER 71 Ca -0.02 -0.58 -0.22 0.00 0.70 0.00 0.00 55.95 55.83 1jxf s SER 71 Cb -0.06 -0.21 0.01 0.00 -1.71 0.00 0.00 66.02 64.05 1jxf s SER 71 CO -0.00 0.16 0.73 -0.89 1.20 0.00 0.00 173.24 174.44 1jxf s THR 72 N -0.89 4.79 -0.95 6.45 2.01 -1.26 -2.49 115.64 123.30 1jxf s THR 72 Ca 0.09 0.77 -0.00 0.00 0.31 0.00 0.00 61.69 62.85 1jxf s THR 72 Cb -0.09 -4.16 0.32 0.00 0.01 0.00 0.00 72.50 68.57 1jxf s THR 72 CO 0.03 -0.40 1.56 0.49 -0.69 0.00 0.00 174.62 175.61 1jxf n PHE 73 N 6.29 2.91 -0.07 4.92 3.01 -0.18 -4.72 117.46 129.61 1jxf n PHE 73 Ca 0.01 -2.88 -0.09 0.00 1.01 0.00 0.00 57.45 55.51 1jxf n PHE 73 Cb 0.48 -1.06 -0.06 0.00 -0.01 0.00 0.00 39.48 38.83 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 2.65 0.61 -3.13 4.37 1.35 -1.89 0.61 112.91 117.48 1jxf h THR 74 Ca 0.38 -1.56 -0.56 0.00 -0.55 0.00 0.00 66.41 64.13 1jxf h THR 74 Cb 0.43 1.25 -0.04 0.00 -1.73 0.00 0.00 68.15 68.07 1jxf h THR 74 CO 1.14 0.21 0.69 -0.70 -0.25 0.00 0.00 175.52 176.61 1jxf s GLU 75 N -2.04 4.35 -0.67 4.72 2.12 -1.26 -3.73 118.70 122.18 1jxf s GLU 75 Ca -0.14 1.52 -0.27 0.00 0.36 0.00 0.00 54.97 56.45 1jxf s GLU 75 Cb 0.01 -3.59 0.01 0.00 0.26 0.00 0.00 34.13 30.82 1jxf s GLU 75 CO 0.34 -0.46 1.55 -1.25 -0.54 0.00 0.00 175.26 174.90 1jxf s PRO 76 N 2.44 2.94 0.00 4.30 0.04 -1.26 -4.82 135.00 138.64 1jxf s PRO 76 Ca 0.51 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.75 1jxf s PRO 76 Cb -0.21 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 30.06 1jxf s PRO 76 CO 0.17 -2.40 0.00 0.41 0.04 0.00 0.00 177.00 175.22 1jxf n GLY 77 N 5.52 4.44 3.00 0.56 0.00 -1.26 -4.94 105.19 112.51 1jxf n GLY 77 Ca 0.12 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 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 0.84 -0.09 -0.32 2.61 -1.32 -1.26 -2.39 115.64 113.71 1jxf s THR 78 Ca 0.00 0.18 0.03 0.00 -1.21 0.00 0.00 61.69 60.70 1jxf s THR 78 Cb 0.00 -0.34 0.09 0.00 -1.51 0.00 0.00 72.50 70.74 1jxf s THR 78 CO 0.00 0.08 0.01 -0.31 -2.21 0.00 0.00 174.62 172.18 1jxf s TYR 79 N 1.41 3.53 -0.65 9.09 1.51 -1.16 -3.91 117.35 127.18 1jxf s TYR 79 Ca -0.08 -2.75 -0.27 0.00 -1.01 0.00 0.00 57.07 52.97 1jxf s TYR 79 Cb -0.11 -2.59 0.00 0.00 -0.11 0.00 0.00 41.96 39.15 1jxf s TYR 79 CO -0.08 -0.92 1.61 0.95 -1.11 0.00 0.00 175.55 176.00 1jxf s THR 80 N 0.99 3.53 -0.14 -0.71 -4.23 -1.24 -2.02 115.64 111.82 1jxf s THR 80 Ca 0.05 0.32 -0.14 0.00 -1.18 0.00 0.00 61.69 60.74 1jxf s THR 80 Cb -0.19 -4.33 -0.05 0.00 1.34 0.00 0.00 72.50 69.27 1jxf s THR 80 CO -0.08 -1.27 0.33 -0.72 -0.54 0.00 0.00 174.62 172.35 1jxf s TYR 81 N 7.57 3.50 0.35 3.99 1.13 -1.21 -1.64 117.35 131.03 1jxf s TYR 81 Ca 0.54 0.68 0.02 0.00 -1.41 0.00 0.00 57.07 56.91 1jxf s TYR 81 Cb -0.11 -2.36 -0.01 0.00 -1.10 0.00 0.00 41.96 38.38 1jxf s TYR 81 CO 0.19 0.28 0.41 2.48 -2.51 0.00 0.00 175.55 176.40 1jxf n TYR 82 N 3.38 -1.20 -2.75 -3.49 0.18 -1.19 0.67 117.16 112.76 1jxf n TYR 82 Ca -0.11 -2.55 -0.43 0.00 1.88 0.00 0.00 57.90 56.69 1jxf n TYR 82 Cb 0.52 0.45 -0.03 0.00 -0.38 0.00 0.00 39.34 39.90 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 7.69 0.00 0.00 0.00 4.81 -1.87 0.65 114.58 125.87 1jxf h GLU 84 Ca -0.21 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1jxf h GLU 84 Cb 1.07 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1jxf h GLU 84 CO 0.95 0.00 -0.00 -1.00 -0.73 0.00 0.00 179.01 178.23 1jxf h PRO 85 N 0.00 -0.00 -1.82 0.92 0.13 -1.93 -3.27 132.00 126.03 1jxf h PRO 85 Ca 0.37 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 65.17 1jxf h PRO 85 Cb 0.58 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.58 1jxf h PRO 85 CO -0.79 0.74 0.24 0.72 -0.23 0.00 0.00 178.00 178.69 1jxf n HIS 86 N -4.73 1.18 1.45 1.56 8.25 -0.68 -4.30 115.22 117.94 1jxf n HIS 86 Ca -0.09 -1.79 0.10 0.00 -0.26 0.00 0.00 57.72 55.67 1jxf n HIS 86 Cb 0.37 -1.17 0.40 0.00 1.12 0.00 0.00 29.99 30.71 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 0.98 1.50 -2.79 -0.41 1.85 0.22 -4.12 116.66 113.90 1jxf n ARG 87 Ca 0.36 -0.76 -0.10 0.00 -1.00 0.00 0.00 57.85 56.35 1jxf n ARG 87 Cb 0.61 -1.35 0.07 0.00 -1.05 0.00 0.00 32.46 30.74 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 1.01 0.86 2.03 2.89 0.00 -1.26 -4.97 105.19 105.75 1jxf n GLY 88 Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.57 2.27 0.00 4.61 0.00 -1.26 -5.05 120.51 121.65 1jxf n ALA 89 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1jxf n ALA 89 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 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 0.77 0.00 2.72 0.00 0.00 -1.26 -5.13 105.19 102.29 1jxf n GLY 90 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 0.31 0.18 1.61 -2.45 -1.26 -4.98 119.30 112.72 1jxf s MET 91 Ca 0.00 -0.23 -0.07 0.00 -1.25 0.00 0.00 55.69 54.14 1jxf s MET 91 Cb 0.00 -0.75 -0.02 0.00 1.25 0.00 0.00 34.83 35.32 1jxf s MET 91 CO 0.00 -1.03 0.26 0.08 1.05 0.00 0.00 175.02 175.38 1jxf s VAL 92 N 2.29 0.04 0.34 10.11 1.01 -1.26 -3.56 120.40 129.36 1jxf s VAL 92 Ca 0.10 -1.59 0.05 0.00 0.00 0.00 0.00 61.98 60.54 1jxf s VAL 92 Cb -0.14 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1jxf s VAL 92 CO -0.33 -0.19 0.22 -0.83 0.00 0.00 0.00 175.10 173.97 1jxf s GLY 93 N -3.03 2.31 -0.11 4.51 0.00 0.21 -4.66 107.32 106.54 1jxf s GLY 93 Ca 0.24 -1.82 -0.04 0.00 0.00 0.00 0.00 44.72 43.10 1jxf s GLY 93 CO 0.05 -1.56 0.22 1.25 0.00 0.00 0.00 173.10 173.05 1jxf s LYS 94 N -3.60 0.10 0.08 2.90 2.36 0.25 -3.35 119.74 118.48 1jxf s LYS 94 Ca 0.36 0.65 0.00 0.00 -2.55 0.00 0.00 55.97 54.44 1jxf s LYS 94 Cb 0.03 -0.18 -0.04 0.00 -1.05 0.00 0.00 37.83 36.59 1jxf s LYS 94 CO 0.22 -0.31 0.24 0.08 1.55 0.00 0.00 175.35 177.13 1jxf s VAL 95 N 2.36 5.36 -0.05 4.02 1.01 -0.85 -3.25 120.40 129.00 1jxf s VAL 95 Ca 0.02 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 1jxf s VAL 95 Cb -0.12 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.64 1jxf s VAL 95 CO -0.07 0.08 0.10 -0.69 0.00 0.00 0.00 175.10 174.51 1jxf s VAL 96 N -1.57 -0.05 0.00 2.92 1.01 0.07 -2.98 120.40 119.79 1jxf s VAL 96 Ca 0.35 0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.58 1jxf s VAL 96 Cb -0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 1jxf s VAL 96 CO 0.28 0.07 -0.20 -0.69 0.00 0.00 0.00 175.10 174.57 1jxf s VAL 97 N 1.04 2.62 0.00 2.92 1.01 -1.01 -2.41 120.40 124.57 1jxf s VAL 97 Ca -0.08 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 60.84 1jxf s VAL 97 Cb -0.11 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1jxf s VAL 97 CO -0.04 0.47 0.40 -0.67 0.00 0.00 0.00 175.10 175.26