#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxf s ASN 2 N 0.00 0.73 -0.51 0.00 0.01 -1.26 -4.91 114.94 109.00 1jxf s ASN 2 Ca 0.00 -1.43 -0.13 0.00 -0.71 0.00 0.00 52.86 50.59 1jxf s ASN 2 Cb 0.00 0.56 0.12 0.00 0.41 0.00 0.00 41.25 42.34 1jxf s ASN 2 CO 0.00 -1.11 0.43 0.00 -1.51 0.00 0.00 177.10 174.91 1jxf s ALA 3 N -3.56 3.54 0.37 0.60 0.00 -1.16 -4.97 121.76 116.57 1jxf s ALA 3 Ca 0.33 -2.52 -0.03 0.00 0.00 0.00 0.00 51.96 49.75 1jxf s ALA 3 Cb 0.02 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 1jxf s ALA 3 CO 0.18 -1.96 0.63 0.99 0.00 0.00 0.00 175.76 175.60 1jxf s THR 4 N 1.51 5.01 -0.08 0.00 2.01 -1.26 -2.05 115.64 120.77 1jxf s THR 4 Ca 0.04 -0.07 -0.03 0.00 0.31 0.00 0.00 61.69 61.94 1jxf s THR 4 Cb -0.28 -3.82 0.05 0.00 0.01 0.00 0.00 72.50 68.46 1jxf s THR 4 CO 0.02 -0.57 0.16 -0.69 -0.69 0.00 0.00 174.62 172.85 1jxf s VAL 5 N -2.37 -0.24 -0.10 3.82 1.01 0.18 -4.70 120.40 118.00 1jxf s VAL 5 Ca 0.44 0.34 -0.12 0.00 0.00 0.00 0.00 61.98 62.63 1jxf s VAL 5 Cb -0.10 -0.29 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 1jxf s VAL 5 CO 0.36 0.14 0.28 -0.54 0.00 0.00 0.00 175.10 175.35 1jxf s LYS 6 N 2.19 3.94 0.55 2.72 1.02 0.03 -0.19 119.74 130.00 1jxf s LYS 6 Ca 0.02 0.12 0.09 0.00 0.02 0.00 0.00 55.97 56.21 1jxf s LYS 6 Cb -0.12 -3.30 0.07 0.00 -0.52 0.00 0.00 37.83 33.96 1jxf s LYS 6 CO -0.06 0.51 0.70 -1.64 -0.92 0.00 0.00 175.35 173.94 1jxf s MET 7 N -0.37 2.34 0.00 1.68 -1.94 -0.62 -1.27 119.30 119.12 1jxf s MET 7 Ca 0.18 -1.68 0.00 0.00 -1.71 0.00 0.00 55.69 52.48 1jxf s MET 7 Cb -0.14 -2.55 0.00 0.00 2.01 0.00 0.00 34.83 34.15 1jxf s MET 7 CO 0.06 -0.76 0.00 0.41 -0.01 0.00 0.00 175.02 174.73 1jxf n GLY 8 N -2.11 0.00 3.04 -0.03 0.00 -0.45 -4.30 105.19 101.35 1jxf n GLY 8 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 1.57 -2.13 -3.08 1.61 3.41 -0.08 -4.12 113.62 110.79 1jxf n SER 9 Ca 0.00 0.84 -0.25 0.00 -0.26 0.00 0.00 58.87 59.20 1jxf n SER 9 Cb 0.31 -0.83 -0.03 0.00 -0.26 0.00 0.00 64.21 63.40 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 2.03 5.76 0.16 4.04 5.75 -1.26 -3.33 116.55 129.69 1jxf n ASP 10 Ca 0.12 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.54 1jxf n ASP 10 Cb 0.32 -1.20 0.00 0.00 -1.03 0.00 0.00 41.12 39.21 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 3.85 -1.45 0.00 -1.12 2.88 -1.26 -5.06 113.62 111.46 1jxf n SER 11 Ca 0.51 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 1jxf n SER 11 Cb 0.22 1.50 0.00 0.00 -0.75 0.00 0.00 64.21 65.18 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 0.44 0.00 3.08 0.46 0.00 -1.21 -5.12 105.19 102.84 1jxf n GLY 12 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.68 4.61 0.00 -1.26 -5.05 121.76 118.93 1jxf s ALA 13 Ca 0.00 0.42 -0.21 0.00 0.00 0.00 0.00 51.96 52.18 1jxf s ALA 13 Cb 0.00 -0.24 0.09 0.00 0.00 0.00 0.00 23.12 22.98 1jxf s ALA 13 CO 0.00 -0.11 0.90 -0.48 0.00 0.00 0.00 175.76 176.07 1jxf s LEU 14 N -0.16 4.84 -0.08 0.00 2.34 -1.26 -0.90 118.68 123.46 1jxf s LEU 14 Ca -0.03 -1.31 -0.10 0.00 0.06 0.00 0.00 54.13 52.76 1jxf s LEU 14 Cb -0.02 -2.37 0.02 0.00 -0.56 0.00 0.00 46.19 43.25 1jxf s LEU 14 CO 0.01 -1.27 0.26 0.68 -1.06 0.00 0.00 176.35 174.96 1jxf s VAL 15 N 3.37 0.02 -0.20 1.48 -7.23 -1.26 -4.70 120.40 111.88 1jxf s VAL 15 Ca 0.20 -0.13 -0.23 0.00 -1.81 0.00 0.00 61.98 60.02 1jxf s VAL 15 Cb -0.17 -0.41 -0.02 0.00 0.56 0.00 0.00 36.38 36.34 1jxf s VAL 15 CO 0.06 -0.07 0.72 -0.36 -0.31 0.00 0.00 175.10 175.13 1jxf s PHE 16 N -0.19 3.38 -0.09 2.82 0.08 -1.26 -1.34 117.98 121.38 1jxf s PHE 16 Ca -0.03 1.05 -0.04 0.00 0.12 0.00 0.00 56.93 58.03 1jxf s PHE 16 Cb -0.03 -2.90 0.05 0.00 -0.57 0.00 0.00 43.02 39.57 1jxf s PHE 16 CO 0.01 -0.23 0.20 -2.00 -0.10 0.00 0.00 175.22 173.11 1jxf s GLU 17 N 2.11 0.15 0.05 0.44 -6.30 -0.39 -1.36 118.70 113.39 1jxf s GLU 17 Ca 0.32 0.49 -0.30 0.00 -2.50 0.00 0.00 54.97 52.98 1jxf s GLU 17 Cb -0.16 -0.15 -0.05 0.00 0.00 0.00 0.00 34.13 33.77 1jxf s GLU 17 CO 0.11 -0.19 1.17 -1.25 0.02 0.00 0.00 175.26 175.12 1jxf s PRO 18 N 1.41 4.45 0.28 4.30 0.04 -1.26 -0.79 135.00 143.43 1jxf s PRO 18 Ca -0.07 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1jxf s PRO 18 Cb -0.11 -3.37 0.51 0.00 0.04 0.00 0.00 34.50 31.57 1jxf s PRO 18 CO -0.07 -0.23 1.86 0.66 0.04 0.00 0.00 177.00 179.26 1jxf h SER 19 N 6.82 0.95 -3.33 6.66 4.64 -1.59 -3.39 113.55 124.30 1jxf h SER 19 Ca -0.41 0.03 -0.67 0.00 -0.47 0.00 0.00 61.79 60.26 1jxf h SER 19 Cb 1.21 -0.17 -0.31 0.00 -0.31 0.00 0.00 62.40 62.83 1jxf h SER 19 CO 0.80 0.56 -0.84 -0.89 -0.87 0.00 0.00 176.83 175.60 1jxf s THR 20 N -5.96 2.43 -0.06 2.95 2.01 -1.26 -1.86 115.64 113.89 1jxf s THR 20 Ca -0.12 -0.89 -0.04 0.00 0.31 0.00 0.00 61.69 60.95 1jxf s THR 20 Cb 0.21 -1.97 0.02 0.00 0.01 0.00 0.00 72.50 70.78 1jxf s THR 20 CO 0.81 0.55 0.15 0.68 -0.69 0.00 0.00 174.62 176.12 1jxf s VAL 21 N 0.34 -0.02 -0.37 3.82 -7.23 -1.24 -5.07 120.40 110.62 1jxf s VAL 21 Ca -0.16 0.07 -0.02 0.00 -1.81 0.00 0.00 61.98 60.06 1jxf s VAL 21 Cb -0.17 -0.23 0.09 0.00 0.56 0.00 0.00 36.38 36.63 1jxf s VAL 21 CO 0.08 0.03 0.13 -0.89 -0.31 0.00 0.00 175.10 174.14 1jxf s THR 22 N 0.52 3.10 0.43 5.32 2.01 -1.26 -2.87 115.64 122.89 1jxf s THR 22 Ca -0.04 -1.91 0.08 0.00 0.31 0.00 0.00 61.69 60.12 1jxf s THR 22 Cb -0.05 -3.06 -0.02 0.00 0.01 0.00 0.00 72.50 69.38 1jxf s THR 22 CO -0.02 -0.53 0.36 0.27 -0.69 0.00 0.00 174.62 174.00 1jxf s ILE 23 N 1.14 2.55 0.96 1.82 -4.36 -1.18 -4.98 121.20 117.15 1jxf s ILE 23 Ca 0.05 -1.39 -0.15 0.00 -0.26 0.00 0.00 60.65 58.91 1jxf s ILE 23 Cb -0.22 -2.94 0.17 0.00 1.25 0.00 0.00 42.46 40.73 1jxf s ILE 23 CO -0.04 0.00 1.20 -0.54 0.24 0.00 0.00 174.94 175.80 1jxf s LYS 24 N -4.12 0.70 0.17 0.37 -0.14 -1.26 -1.41 119.74 114.05 1jxf s LYS 24 Ca 0.47 -0.03 -0.15 0.00 -1.36 0.00 0.00 55.97 54.90 1jxf s LYS 24 Cb -0.02 -1.82 -0.07 0.00 -1.68 0.00 0.00 37.83 34.24 1jxf s LYS 24 CO 0.27 -2.44 0.59 0.00 -0.76 0.00 0.00 175.35 173.01 1jxf s ALA 25 N -3.48 3.54 0.00 5.17 0.00 -1.26 -3.79 121.76 121.94 1jxf s ALA 25 Ca 0.68 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1jxf s ALA 25 Cb -0.10 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.45 1jxf s ALA 25 CO 0.53 0.43 0.00 0.41 0.00 0.00 0.00 175.76 177.13 1jxf n GLY 26 N 0.66 2.72 3.71 0.00 0.00 0.15 -4.96 105.19 107.46 1jxf n GLY 26 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 -2.16 -4.53 1.61 2.13 -1.25 -4.61 120.64 109.83 1jxf n GLU 27 Ca 0.00 -1.92 -0.28 0.00 0.66 0.00 0.00 57.16 55.62 1jxf n GLU 27 Cb 0.00 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.11 1jxf n GLU 27 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1jxf s GLU 28 N -5.72 2.04 -0.05 5.31 -1.05 -1.26 -0.94 118.70 117.03 1jxf s GLU 28 Ca 0.74 -2.09 -0.01 0.00 -0.15 0.00 0.00 54.97 53.45 1jxf s GLU 28 Cb -0.04 -1.70 0.03 0.00 -0.44 0.00 0.00 34.13 31.98 1jxf s GLU 28 CO 0.54 -0.10 0.04 0.08 0.95 0.00 0.00 175.26 176.76 1jxf s VAL 29 N -2.71 0.04 0.25 1.83 1.01 -0.94 -3.00 120.40 116.88 1jxf s VAL 29 Ca 0.33 0.30 -0.06 0.00 0.00 0.00 0.00 61.98 62.56 1jxf s VAL 29 Cb 0.08 -0.25 -0.06 0.00 0.00 0.00 0.00 36.38 36.15 1jxf s VAL 29 CO 0.17 0.19 0.52 -0.75 0.00 0.00 0.00 175.10 175.23 1jxf s LYS 30 N 1.92 3.66 -0.16 2.72 2.20 -0.87 -1.53 119.74 127.68 1jxf s LYS 30 Ca 0.02 0.03 -0.00 0.00 -0.36 0.00 0.00 55.97 55.66 1jxf s LYS 30 Cb -0.12 -2.69 0.04 0.00 -1.51 0.00 0.00 37.83 33.55 1jxf s LYS 30 CO -0.03 0.28 -0.07 -1.58 -0.36 0.00 0.00 175.35 173.59 1jxf s TRP 31 N -1.95 1.78 -0.18 4.03 0.51 0.15 0.51 118.94 123.78 1jxf s TRP 31 Ca 0.44 -1.08 -0.20 0.00 -2.12 0.00 0.00 56.10 53.14 1jxf s TRP 31 Cb -0.11 -1.36 -0.03 0.00 -0.81 0.00 0.00 33.47 31.16 1jxf s TRP 31 CO 0.27 -0.61 0.59 0.08 -0.51 0.00 0.00 176.95 176.77 1jxf s VAL 32 N 1.61 5.06 0.45 4.03 1.01 0.73 -1.69 120.40 131.61 1jxf s VAL 32 Ca 0.02 1.11 -0.21 0.00 0.00 0.00 0.00 61.98 62.90 1jxf s VAL 32 Cb -0.14 -3.91 -0.10 0.00 0.00 0.00 0.00 36.38 32.23 1jxf s VAL 32 CO -0.08 0.16 0.97 0.21 0.00 0.00 0.00 175.10 176.36 1jxf s ASN 33 N 1.12 6.78 0.00 3.32 2.47 -1.21 -1.58 114.94 125.83 1jxf s ASN 33 Ca 0.27 1.74 0.00 0.00 0.42 0.00 0.00 52.86 55.29 1jxf s ASN 33 Cb -0.16 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.10 1jxf s ASN 33 CO 0.11 -0.47 0.00 -3.20 -3.72 0.00 0.00 177.10 169.81 1jxf n ASN 34 N -0.78 0.00 -3.64 -4.21 2.85 -1.26 -4.80 115.26 103.42 1jxf n ASN 34 Ca 0.07 0.00 -0.28 0.00 -0.11 0.00 0.00 54.58 54.26 1jxf n ASN 34 Cb 0.54 0.00 0.22 0.00 1.24 0.00 0.00 39.78 41.77 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 -2.16 -2.96 1.20 4.76 -1.26 -4.44 118.16 113.30 1jxf n LYS 35 Ca 0.00 -1.80 -0.12 0.00 -2.87 0.00 0.00 58.31 53.53 1jxf n LYS 35 Cb 0.00 -1.43 0.05 0.00 -1.84 0.00 0.00 35.03 31.81 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 -3.08 -4.94 -0.35 7.99 -1.26 -4.53 117.00 110.83 1jxf n LEU 36 Ca 0.15 -0.35 -0.24 0.00 -0.01 0.00 0.00 56.01 55.56 1jxf n LEU 36 Cb 0.55 -2.05 0.00 0.00 -0.11 0.00 0.00 43.42 41.81 1jxf n LEU 36 CO 0.39 0.29 0.27 -0.55 -1.51 0.00 0.00 177.39 176.28 1jxf s SER 37 N -3.58 6.08 0.66 -1.43 0.15 -1.26 -4.28 113.70 110.04 1jxf s SER 37 Ca 0.13 0.47 -0.12 0.00 0.70 0.00 0.00 55.95 57.12 1jxf s SER 37 Cb -0.06 -1.85 -0.01 0.00 -1.71 0.00 0.00 66.02 62.39 1jxf s SER 37 CO 0.44 -0.53 1.06 -2.16 1.20 0.00 0.00 173.24 173.24 1jxf s PRO 38 N -4.51 3.08 -0.32 5.44 0.04 -1.26 -5.15 135.00 132.33 1jxf s PRO 38 Ca 0.45 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1jxf s PRO 38 Cb -0.10 -2.01 0.10 0.00 0.04 0.00 0.00 34.50 32.53 1jxf s PRO 38 CO 0.39 -0.99 0.09 -1.01 0.04 0.00 0.00 177.00 175.52 1jxf s HIS 39 N -2.86 2.06 0.78 0.56 3.76 -1.26 -4.93 115.29 113.41 1jxf s HIS 39 Ca 0.60 -1.95 -0.05 0.00 -0.15 0.00 0.00 55.06 53.50 1jxf s HIS 39 Cb -0.14 -1.92 0.14 0.00 1.11 0.00 0.00 32.58 31.77 1jxf s HIS 39 CO 0.49 -0.89 1.08 -0.80 -0.85 0.00 0.00 174.74 173.77 1jxf s ASN 40 N 1.50 4.04 -0.29 1.40 -0.87 -1.26 -4.58 114.94 114.87 1jxf s ASN 40 Ca 0.10 -0.15 -0.01 0.00 -1.57 0.00 0.00 52.86 51.22 1jxf s ASN 40 Cb -0.18 -0.15 0.13 0.00 -0.02 0.00 0.00 41.25 41.03 1jxf s ASN 40 CO -0.22 -2.09 0.25 -0.63 -2.57 0.00 0.00 177.10 171.84 1jxf s ILE 41 N -3.35 -0.31 -0.20 0.60 1.01 -1.15 -4.44 121.20 113.38 1jxf s ILE 41 Ca 0.68 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.73 1jxf s ILE 41 Cb -0.05 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.44 1jxf s ILE 41 CO 0.47 -0.55 -0.12 0.68 0.00 0.00 0.00 174.94 175.42 1jxf s VAL 42 N 2.26 2.78 -0.62 2.92 -7.23 -1.16 0.87 120.40 120.22 1jxf s VAL 42 Ca 0.09 -0.70 -0.20 0.00 -1.81 0.00 0.00 61.98 59.36 1jxf s VAL 42 Cb -0.15 -2.22 0.09 0.00 0.56 0.00 0.00 36.38 34.67 1jxf s VAL 42 CO -0.33 0.48 0.79 -0.36 -0.31 0.00 0.00 175.10 175.37 1jxf s PHE 43 N 1.31 2.89 -0.32 2.82 0.08 -1.26 -2.73 117.98 120.77 1jxf s PHE 43 Ca 0.04 -0.83 -0.29 0.00 0.12 0.00 0.00 56.93 55.97 1jxf s PHE 43 Cb -0.14 -4.11 0.00 0.00 -0.57 0.00 0.00 43.02 38.20 1jxf s PHE 43 CO -0.07 -1.41 1.32 0.00 -0.10 0.00 0.00 175.22 174.96 1jxf s ALA 44 N 3.13 3.31 -0.87 5.36 0.00 -0.32 -4.53 121.76 127.84 1jxf s ALA 44 Ca 0.15 0.05 -0.23 0.00 0.00 0.00 0.00 51.96 51.94 1jxf s ALA 44 Cb -0.22 -3.80 -0.22 0.00 0.00 0.00 0.00 23.12 18.88 1jxf s ALA 44 CO 0.07 -1.88 2.44 0.00 0.00 0.00 0.00 175.76 176.39 1jxf n ALA 45 N 7.81 0.65 -3.87 0.00 0.00 -1.26 -4.13 120.51 119.71 1jxf n ALA 45 Ca 0.15 -0.74 -0.29 0.00 0.00 0.00 0.00 53.44 52.55 1jxf n ALA 45 Cb 0.47 -2.64 -0.11 0.00 0.00 0.00 0.00 19.45 17.16 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 7.16 4.95 0.00 0.00 1.11 -1.26 -4.70 116.67 123.92 1jxf s ASP 46 Ca 1.21 -3.76 0.00 0.00 0.18 0.00 0.00 52.55 50.18 1jxf s ASP 46 Cb -0.76 -1.68 0.00 0.00 1.07 0.00 0.00 42.92 41.55 1jxf s ASP 46 CO 0.41 -0.11 0.00 0.61 1.18 0.00 0.00 175.17 177.26 1jxf n GLY 47 N 2.13 2.54 3.92 0.21 0.00 -1.26 -4.66 105.19 108.07 1jxf n GLY 47 Ca 0.18 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.54 1.61 3.14 -1.26 -4.91 118.33 114.37 1jxf n VAL 48 Ca 0.00 -1.46 -0.35 0.00 -2.96 0.00 0.00 64.34 59.57 1jxf n VAL 48 Cb 0.00 -1.02 -0.04 0.00 -1.06 0.00 0.00 33.84 31.72 1jxf n VAL 48 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1jxf s ASP 49 N -5.29 6.54 0.00 6.55 1.11 -1.26 -4.87 116.67 119.46 1jxf s ASP 49 Ca 0.69 1.99 -0.02 0.00 0.18 0.00 0.00 52.55 55.39 1jxf s ASP 49 Cb -0.03 -2.57 -0.01 0.00 1.07 0.00 0.00 42.92 41.37 1jxf s ASP 49 CO 0.46 -0.64 0.90 0.00 1.18 0.00 0.00 175.17 177.07 1jxf h ALA 50 N 2.03 -0.89 -1.17 5.23 0.00 -1.97 0.06 119.26 122.55 1jxf h ALA 50 Ca -0.49 -0.02 0.44 0.00 0.00 0.00 0.00 54.91 54.84 1jxf h ALA 50 Cb 1.22 0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.88 1jxf h ALA 50 CO 0.61 -0.88 0.70 -0.44 0.00 0.00 0.00 179.25 179.23 1jxf h ASP 51 N -0.09 0.28 0.10 0.00 3.32 -1.98 0.64 116.42 118.68 1jxf h ASP 51 Ca -0.01 0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1jxf h ASP 51 Cb 0.06 0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1jxf h ASP 51 CO 0.01 -0.33 -0.05 0.74 -1.72 0.00 0.00 179.24 177.90 1jxf h THR 52 N 0.03 0.00 -0.18 0.35 2.02 -1.90 -2.18 112.91 111.04 1jxf h THR 52 Ca 0.85 -0.01 0.05 0.00 0.77 0.00 0.00 66.41 68.07 1jxf h THR 52 Cb 2.47 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 1jxf h THR 52 CO -0.61 0.00 0.45 0.00 0.37 0.00 0.00 175.52 175.73 1jxf h ALA 53 N -1.92 1.72 0.07 6.16 0.00 0.11 0.27 119.26 125.67 1jxf h ALA 53 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jxf h ALA 53 Cb 0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1jxf h ALA 53 CO 0.02 -0.55 -0.03 0.00 0.00 0.00 0.00 179.25 178.69 1jxf h ALA 54 N 1.27 -0.10 -0.46 0.00 0.00 0.54 1.37 119.26 121.88 1jxf h ALA 54 Ca 0.09 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1jxf h ALA 54 Cb 0.99 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1jxf h ALA 54 CO -0.00 -0.45 0.08 0.87 0.00 0.00 0.00 179.25 179.75 1jxf h LYS 55 N -0.30 0.71 0.00 0.00 6.56 0.14 -0.76 116.57 122.91 1jxf h LYS 55 Ca -0.01 -0.14 0.00 0.00 -1.06 0.00 0.00 60.65 59.44 1jxf h LYS 55 Cb 0.26 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 31.81 1jxf h LYS 55 CO 0.02 0.66 0.00 -0.07 -2.06 0.00 0.00 179.45 178.00 1jxf h LEU 56 N 0.68 0.00 -9.35 2.94 4.07 -1.05 -3.44 115.31 109.15 1jxf h LEU 56 Ca 0.15 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 57.56 1jxf h LEU 56 Cb 0.30 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 1jxf h LEU 56 CO 0.00 0.00 0.68 -0.44 -1.08 0.00 0.00 178.44 177.60 1jxf s SER 57 N -5.99 7.04 -0.45 -0.43 0.01 0.47 -4.60 113.70 109.76 1jxf s SER 57 Ca 0.06 1.88 -0.08 0.00 1.31 0.00 0.00 55.95 59.11 1jxf s SER 57 Cb 0.06 -2.56 0.11 0.00 0.21 0.00 0.00 66.02 63.84 1jxf s SER 57 CO 0.64 -0.57 0.30 -1.00 0.41 0.00 0.00 173.24 173.01 1jxf s HIS 58 N 2.00 3.43 -0.41 2.43 3.76 0.25 -4.87 115.29 121.88 1jxf s HIS 58 Ca 0.57 -1.87 0.03 0.00 -0.15 0.00 0.00 55.06 53.64 1jxf s HIS 58 Cb -0.26 -3.30 0.55 0.00 1.11 0.00 0.00 32.58 30.68 1jxf s HIS 58 CO 0.24 -0.95 1.82 1.63 -0.85 0.00 0.00 174.74 176.63 1jxf n LYS 59 N 4.86 2.13 0.00 1.40 5.02 -1.26 -2.92 118.16 127.39 1jxf n LYS 59 Ca -0.08 -2.63 0.00 0.00 -2.02 0.00 0.00 58.31 53.59 1jxf n LYS 59 Cb 0.41 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 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 1.11 3.23 0.72 0.00 -1.26 -5.07 105.19 103.04 1jxf n GLY 60 Ca 0.52 -1.56 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 1jxf n GLY 60 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jxf s LEU 61 N 0.00 1.46 -0.31 0.99 1.98 -1.26 -4.89 118.68 116.65 1jxf s LEU 61 Ca 0.00 -1.05 -0.03 0.00 -2.89 0.00 0.00 54.13 50.17 1jxf s LEU 61 Cb 0.00 0.68 0.11 0.00 0.66 0.00 0.00 46.19 47.64 1jxf s LEU 61 CO 0.00 -0.79 0.13 0.00 -1.89 0.00 0.00 176.35 173.80 1jxf s ALA 62 N -4.01 0.94 -0.15 5.97 0.00 -1.26 -4.96 121.76 118.30 1jxf s ALA 62 Ca 0.20 -1.37 0.19 0.00 0.00 0.00 0.00 51.96 50.98 1jxf s ALA 62 Cb 0.06 -1.49 0.45 0.00 0.00 0.00 0.00 23.12 22.14 1jxf s ALA 62 CO 0.00 -1.71 1.17 1.19 0.00 0.00 0.00 175.76 176.41 1jxf n PHE 63 N 4.97 0.61 -3.81 0.00 3.01 -1.26 -4.47 117.46 116.51 1jxf n PHE 63 Ca -0.03 -1.32 -0.12 0.00 1.01 0.00 0.00 57.45 56.99 1jxf n PHE 63 Cb 0.41 -0.22 -0.12 0.00 -0.01 0.00 0.00 39.48 39.54 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 -2.09 -0.44 -0.96 4.37 0.00 -1.26 -5.09 121.76 116.28 1jxf s ALA 64 Ca 0.36 0.50 -0.17 0.00 0.00 0.00 0.00 51.96 52.65 1jxf s ALA 64 Cb 0.37 -0.29 0.16 0.00 0.00 0.00 0.00 23.12 23.36 1jxf s ALA 64 CO -0.09 -0.08 1.12 0.00 0.00 0.00 0.00 175.76 176.71 1jxf s ALA 65 N 0.10 3.62 0.00 0.00 0.00 -1.26 -3.55 121.76 120.68 1jxf s ALA 65 Ca -0.00 -2.98 0.00 0.00 0.00 0.00 0.00 51.96 48.98 1jxf s ALA 65 Cb -0.01 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 19.14 1jxf s ALA 65 CO 0.00 -2.82 0.00 0.41 0.00 0.00 0.00 175.76 173.35 1jxf n GLY 66 N 4.96 0.50 3.82 0.00 0.00 -1.26 -5.14 105.19 108.05 1jxf n GLY 66 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 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 3.31 0.34 1.61 0.41 -1.23 -4.94 118.70 118.20 1jxf s GLU 67 Ca 0.00 1.09 0.02 0.00 -0.41 0.00 0.00 54.97 55.66 1jxf s GLU 67 Cb 0.00 -2.04 -0.01 0.00 -1.78 0.00 0.00 34.13 30.31 1jxf s GLU 67 CO 0.00 -0.81 0.41 0.43 -0.49 0.00 0.00 175.26 174.81 1jxf n SER 68 N -2.29 -1.12 -4.02 -0.19 7.64 -1.26 -3.36 113.62 109.02 1jxf n SER 68 Ca 0.08 -3.00 -0.22 0.00 1.01 0.00 0.00 58.87 56.74 1jxf n SER 68 Cb 0.53 2.23 -0.16 0.00 -1.01 0.00 0.00 64.21 65.80 1jxf n SER 68 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1jxf s PHE 69 N -3.07 1.13 0.03 1.43 0.40 -0.68 -4.88 117.98 112.35 1jxf s PHE 69 Ca 0.33 -0.31 0.05 0.00 -0.60 0.00 0.00 56.93 56.40 1jxf s PHE 69 Cb 0.00 -0.80 -0.03 0.00 0.51 0.00 0.00 43.02 42.69 1jxf s PHE 69 CO 0.23 -0.13 -0.09 0.99 0.70 0.00 0.00 175.22 176.92 1jxf s THR 70 N 0.25 3.43 0.14 0.64 2.01 -1.25 0.32 115.64 121.18 1jxf s THR 70 Ca -0.05 -0.96 0.04 0.00 0.31 0.00 0.00 61.69 61.03 1jxf s THR 70 Cb -0.10 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 1jxf s THR 70 CO 0.01 0.32 -0.10 -0.94 -0.69 0.00 0.00 174.62 173.22 1jxf s SER 71 N -1.60 1.71 -0.28 3.53 1.04 -0.58 -4.93 113.70 112.59 1jxf s SER 71 Ca 0.18 -1.01 -0.05 0.00 0.48 0.00 0.00 55.95 55.55 1jxf s SER 71 Cb -0.11 0.00 0.02 0.00 0.10 0.00 0.00 66.02 66.03 1jxf s SER 71 CO 0.09 -0.34 0.04 -0.89 0.98 0.00 0.00 173.24 173.11 1jxf s THR 72 N -3.33 3.59 -0.50 2.02 2.01 -1.26 -2.22 115.64 115.95 1jxf s THR 72 Ca 0.16 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.30 1jxf s THR 72 Cb 0.03 -2.86 0.26 0.00 0.01 0.00 0.00 72.50 69.94 1jxf s THR 72 CO -0.00 0.10 2.20 0.49 -0.69 0.00 0.00 174.62 176.71 1jxf n PHE 73 N 4.79 2.18 0.03 4.92 3.01 -0.12 -4.70 117.46 127.57 1jxf n PHE 73 Ca -0.15 -2.29 -0.05 0.00 1.01 0.00 0.00 57.45 55.97 1jxf n PHE 73 Cb 0.47 -1.21 -0.03 0.00 -0.01 0.00 0.00 39.48 38.70 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 1.34 0.00 -3.36 4.37 2.02 -1.82 0.46 112.91 115.91 1jxf h THR 74 Ca 0.43 0.00 -0.56 0.00 0.77 0.00 0.00 66.41 67.05 1jxf h THR 74 Cb 0.74 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.10 1jxf h THR 74 CO 1.09 0.00 0.25 -0.70 0.37 0.00 0.00 175.52 176.53 1jxf s GLU 75 N -3.81 4.43 0.44 6.66 2.12 -1.26 -3.66 118.70 123.62 1jxf s GLU 75 Ca -0.05 1.06 -0.22 0.00 0.36 0.00 0.00 54.97 56.12 1jxf s GLU 75 Cb 0.02 -3.49 -0.09 0.00 0.26 0.00 0.00 34.13 30.83 1jxf s GLU 75 CO 0.18 -0.08 1.05 -1.25 -0.54 0.00 0.00 175.26 174.62 1jxf s PRO 76 N 1.24 3.99 0.00 4.30 0.04 -1.26 -4.96 135.00 138.35 1jxf s PRO 76 Ca 0.42 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1jxf s PRO 76 Cb -0.18 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.02 1jxf s PRO 76 CO 0.19 -0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.36 1jxf n GLY 77 N 0.07 -0.67 2.68 0.56 0.00 -1.26 -5.01 105.19 101.54 1jxf n GLY 77 Ca 0.07 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.98 0.97 -0.01 2.61 2.01 -1.26 -2.83 115.64 113.15 1jxf s THR 78 Ca 0.00 -1.95 -0.18 0.00 0.31 0.00 0.00 61.69 59.87 1jxf s THR 78 Cb 0.00 -1.70 -0.06 0.00 0.01 0.00 0.00 72.50 70.75 1jxf s THR 78 CO 0.00 -0.83 0.49 -0.31 -0.69 0.00 0.00 174.62 173.29 1jxf s TYR 79 N 0.97 3.70 -0.25 4.92 1.51 -1.14 -4.29 117.35 122.77 1jxf s TYR 79 Ca 0.15 1.08 -0.02 0.00 -1.01 0.00 0.00 57.07 57.26 1jxf s TYR 79 Cb -0.21 -2.45 0.02 0.00 -0.11 0.00 0.00 41.96 39.21 1jxf s TYR 79 CO -0.10 0.48 -0.06 0.99 -1.11 0.00 0.00 175.55 175.76 1jxf s THR 80 N -0.58 2.93 -0.05 -0.71 2.01 -1.26 -1.86 115.64 116.12 1jxf s THR 80 Ca 0.27 -0.99 0.04 0.00 0.31 0.00 0.00 61.69 61.31 1jxf s THR 80 Cb -0.17 -2.48 -0.02 0.00 0.01 0.00 0.00 72.50 69.83 1jxf s THR 80 CO 0.15 0.20 -0.15 -0.72 -0.69 0.00 0.00 174.62 173.41 1jxf s TYR 81 N 1.34 2.67 0.35 4.92 1.13 -1.24 -1.17 117.35 125.34 1jxf s TYR 81 Ca 0.00 -0.21 0.03 0.00 -1.41 0.00 0.00 57.07 55.48 1jxf s TYR 81 Cb -0.17 -1.63 -0.01 0.00 -1.10 0.00 0.00 41.96 39.06 1jxf s TYR 81 CO -0.04 0.15 0.40 1.52 -2.51 0.00 0.00 175.55 175.07 1jxf s TYR 82 N -0.66 1.43 0.05 -3.49 -0.85 -1.10 -1.12 117.35 111.60 1jxf s TYR 82 Ca 0.10 -1.50 -0.30 0.00 -0.52 0.00 0.00 57.07 54.85 1jxf s TYR 82 Cb -0.11 -0.37 -0.04 0.00 0.38 0.00 0.00 41.96 41.82 1jxf s TYR 82 CO 0.01 -1.05 1.02 0.00 -1.52 0.00 0.00 175.55 174.01 1jxf h GLU 84 N 6.34 0.14 -0.04 0.00 4.81 -1.94 0.46 114.58 124.36 1jxf h GLU 84 Ca -0.42 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 58.63 1jxf h GLU 84 Cb 1.22 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.58 1jxf h GLU 84 CO 0.75 0.19 -0.60 -1.00 -0.73 0.00 0.00 179.01 177.61 1jxf h PRO 85 N 0.06 0.48 -1.48 0.92 0.13 -1.92 -3.23 132.00 126.95 1jxf h PRO 85 Ca 0.04 -0.46 -0.48 0.00 -0.87 0.00 0.00 66.00 64.23 1jxf h PRO 85 Cb 0.09 0.12 -0.19 0.00 0.13 0.00 0.00 31.00 31.14 1jxf h PRO 85 CO -0.01 1.10 0.58 0.72 -0.23 0.00 0.00 178.00 180.17 1jxf n HIS 86 N -4.19 2.11 -1.17 1.56 8.25 -1.20 -4.69 115.22 115.89 1jxf n HIS 86 Ca -0.10 -2.29 -0.17 0.00 -0.26 0.00 0.00 57.72 54.91 1jxf n HIS 86 Cb 0.66 -1.18 -0.13 0.00 1.12 0.00 0.00 29.99 30.46 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 0.02 2.14 0.00 -0.41 1.85 0.15 -3.79 116.66 116.62 1jxf n ARG 87 Ca 0.44 -1.46 0.00 0.00 -1.00 0.00 0.00 57.85 55.82 1jxf n ARG 87 Cb 0.57 -2.05 0.00 0.00 -1.05 0.00 0.00 32.46 29.93 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 1.95 -1.01 1.93 2.89 0.00 -1.26 -5.06 105.19 104.63 1jxf n GLY 88 Ca 0.45 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.75 1jxf n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jxf n ALA 89 N 0.00 2.98 0.00 4.61 0.00 -1.25 -5.06 120.51 121.80 1jxf n ALA 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jxf n ALA 89 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 1.54 0.00 2.70 0.00 0.00 -1.26 -5.14 105.19 103.04 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 0.30 0.21 1.61 -2.45 -1.26 -4.94 119.30 112.78 1jxf s MET 91 Ca 0.00 -0.27 -0.08 0.00 -1.25 0.00 0.00 55.69 54.10 1jxf s MET 91 Cb 0.00 -0.78 -0.02 0.00 1.25 0.00 0.00 34.83 35.28 1jxf s MET 91 CO 0.00 -1.03 0.32 0.08 1.05 0.00 0.00 175.02 175.43 1jxf s VAL 92 N 2.26 0.02 0.29 10.11 1.01 -1.26 -3.63 120.40 129.19 1jxf s VAL 92 Ca 0.10 -1.61 0.02 0.00 0.00 0.00 0.00 61.98 60.49 1jxf s VAL 92 Cb -0.14 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1jxf s VAL 92 CO -0.33 -0.07 0.14 -0.83 0.00 0.00 0.00 175.10 174.01 1jxf s GLY 93 N -3.05 1.93 -0.12 4.51 0.00 -0.27 -4.57 107.32 105.74 1jxf s GLY 93 Ca 0.27 -1.78 -0.04 0.00 0.00 0.00 0.00 44.72 43.17 1jxf s GLY 93 CO 0.08 -1.58 0.16 0.54 0.00 0.00 0.00 173.10 172.30 1jxf s LYS 94 N -3.91 0.07 -0.11 2.90 1.02 -0.77 -3.73 119.74 115.20 1jxf s LYS 94 Ca 0.36 0.38 -0.04 0.00 0.02 0.00 0.00 55.97 56.69 1jxf s LYS 94 Cb 0.06 -0.73 -0.04 0.00 -0.52 0.00 0.00 37.83 36.60 1jxf s LYS 94 CO 0.16 -0.44 0.06 0.08 -0.92 0.00 0.00 175.35 174.28 1jxf s VAL 95 N 2.27 4.80 -0.18 3.17 1.01 -0.78 -3.72 120.40 126.98 1jxf s VAL 95 Ca 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1jxf s VAL 95 Cb -0.13 -3.07 0.05 0.00 0.00 0.00 0.00 36.38 33.23 1jxf s VAL 95 CO -0.08 0.59 -0.02 -0.69 0.00 0.00 0.00 175.10 174.91 1jxf s VAL 96 N -0.79 0.92 0.12 2.92 1.01 -1.14 -2.91 120.40 120.54 1jxf s VAL 96 Ca 0.13 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.31 1jxf s VAL 96 Cb -0.12 -1.23 -0.07 0.00 0.00 0.00 0.00 36.38 34.97 1jxf s VAL 96 CO 0.03 -0.01 0.55 -0.69 0.00 0.00 0.00 175.10 174.97 1jxf s VAL 97 N 1.70 4.84 0.00 2.92 1.01 -1.13 -3.13 120.40 126.60 1jxf s VAL 97 Ca -0.01 0.93 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1jxf s VAL 97 Cb -0.16 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1jxf s VAL 97 CO -0.07 0.34 0.43 -0.90 0.00 0.00 0.00 175.10 174.90