#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 7.21 0.16 0.00 2.20 -1.26 -4.24 114.94 119.01 1jxf s ASN 2 Ca 0.00 1.45 0.10 0.00 -0.94 0.00 0.00 52.86 53.47 1jxf s ASN 2 Cb 0.00 -2.47 -0.04 0.00 -2.00 0.00 0.00 41.25 36.74 1jxf s ASN 2 CO 0.00 0.03 -0.21 0.00 -2.94 0.00 0.00 177.10 173.98 1jxf s ALA 3 N -0.11 2.61 0.01 3.54 0.00 -1.24 -5.05 121.76 121.52 1jxf s ALA 3 Ca 0.38 -1.52 0.02 0.00 0.00 0.00 0.00 51.96 50.84 1jxf s ALA 3 Cb -0.21 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 1jxf s ALA 3 CO 0.23 0.49 -0.06 0.99 0.00 0.00 0.00 175.76 177.41 1jxf s THR 4 N -1.45 0.47 -0.07 0.00 2.01 -1.26 -2.23 115.64 113.11 1jxf s THR 4 Ca 0.20 -0.45 -0.05 0.00 0.31 0.00 0.00 61.69 61.70 1jxf s THR 4 Cb -0.09 -0.44 0.03 0.00 0.01 0.00 0.00 72.50 72.01 1jxf s THR 4 CO 0.10 0.00 0.17 -0.69 -0.69 0.00 0.00 174.62 173.52 1jxf s VAL 5 N -0.43 -0.02 -0.29 3.82 1.01 -0.91 -4.42 120.40 119.15 1jxf s VAL 5 Ca -0.01 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1jxf s VAL 5 Cb -0.04 -0.26 0.08 0.00 0.00 0.00 0.00 36.38 36.16 1jxf s VAL 5 CO -0.00 0.03 0.01 -0.54 0.00 0.00 0.00 175.10 174.59 1jxf s LYS 6 N 0.50 1.51 0.95 2.72 1.02 -0.85 -0.97 119.74 124.61 1jxf s LYS 6 Ca -0.03 -1.42 -0.17 0.00 0.02 0.00 0.00 55.97 54.37 1jxf s LYS 6 Cb -0.05 -2.79 0.02 0.00 -0.52 0.00 0.00 37.83 34.49 1jxf s LYS 6 CO -0.02 -0.80 -0.38 0.00 -0.92 0.00 0.00 175.35 173.23 1jxf n MET 7 N 4.49 -1.06 0.00 1.68 0.00 -1.12 -4.15 117.12 116.96 1jxf n MET 7 Ca -0.04 -0.31 0.00 0.00 0.00 0.00 0.00 57.70 57.35 1jxf n MET 7 Cb 0.43 -1.31 0.00 0.00 0.00 0.00 0.00 33.22 32.34 1jxf n MET 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jxf n GLY 8 N 2.75 1.46 3.49 3.17 0.00 -0.81 -4.42 105.19 110.84 1jxf n GLY 8 Ca 0.01 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 1jxf n GLY 8 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jxf s SER 9 N -3.48 -0.57 -1.28 1.61 0.15 -0.81 -3.75 113.70 105.58 1jxf s SER 9 Ca 0.00 0.34 -0.08 0.00 0.70 0.00 0.00 55.95 56.91 1jxf s SER 9 Cb 0.00 0.52 0.16 0.00 -1.71 0.00 0.00 66.02 64.99 1jxf s SER 9 CO 0.00 -0.72 2.00 0.47 1.20 0.00 0.00 173.24 176.18 1jxf n ASP 10 N 0.28 5.93 0.01 5.45 8.00 -1.26 -3.95 116.55 131.00 1jxf n ASP 10 Ca -0.16 -3.13 0.00 0.00 0.71 0.00 0.00 54.79 52.20 1jxf n ASP 10 Cb 0.61 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.27 1jxf n ASP 10 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1jxf n SER 11 N 3.17 -0.11 0.00 -2.24 2.88 -1.26 -5.05 113.62 111.02 1jxf n SER 11 Ca 0.45 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 1jxf n SER 11 Cb 0.33 0.46 0.00 0.00 -0.75 0.00 0.00 64.21 64.25 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 -1.50 0.00 3.00 0.46 0.00 -1.26 -5.13 105.19 100.76 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 -0.43 -0.66 4.61 0.00 -1.26 -5.08 121.76 118.94 1jxf s ALA 13 Ca 0.00 0.86 -0.21 0.00 0.00 0.00 0.00 51.96 52.62 1jxf s ALA 13 Cb 0.00 -0.59 0.09 0.00 0.00 0.00 0.00 23.12 22.62 1jxf s ALA 13 CO 0.00 -0.21 0.87 -0.48 0.00 0.00 0.00 175.76 175.94 1jxf s LEU 14 N 1.31 4.86 0.08 0.00 0.05 -1.26 -1.92 118.68 121.80 1jxf s LEU 14 Ca -0.08 -1.27 -0.05 0.00 0.05 0.00 0.00 54.13 52.78 1jxf s LEU 14 Cb -0.11 -2.37 -0.02 0.00 -2.05 0.00 0.00 46.19 41.64 1jxf s LEU 14 CO -0.07 -1.28 0.11 0.68 -0.55 0.00 0.00 176.35 175.23 1jxf s VAL 15 N 3.38 0.17 -0.28 1.48 -7.23 -1.25 -4.88 120.40 111.79 1jxf s VAL 15 Ca 0.19 -1.46 -0.15 0.00 -1.81 0.00 0.00 61.98 58.74 1jxf s VAL 15 Cb -0.19 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.25 1jxf s VAL 15 CO 0.07 -0.75 0.38 -0.36 -0.31 0.00 0.00 175.10 174.12 1jxf s PHE 16 N -3.90 3.24 -0.10 2.82 0.08 -1.26 -1.92 117.98 116.94 1jxf s PHE 16 Ca 0.07 0.33 -0.04 0.00 0.12 0.00 0.00 56.93 57.42 1jxf s PHE 16 Cb 0.06 -2.60 0.05 0.00 -0.57 0.00 0.00 43.02 39.96 1jxf s PHE 16 CO -0.09 -0.27 0.21 -2.00 -0.10 0.00 0.00 175.22 172.96 1jxf s GLU 17 N 2.08 0.14 0.11 0.44 -6.30 -1.26 -1.47 118.70 112.44 1jxf s GLU 17 Ca 0.15 0.53 -0.30 0.00 -2.50 0.00 0.00 54.97 52.85 1jxf s GLU 17 Cb -0.16 -0.14 -0.06 0.00 0.00 0.00 0.00 34.13 33.76 1jxf s GLU 17 CO 0.10 -0.21 1.15 -1.25 0.02 0.00 0.00 175.26 175.07 1jxf s PRO 18 N 1.59 4.51 0.54 4.30 0.04 -1.26 -2.00 135.00 142.72 1jxf s PRO 18 Ca -0.06 1.74 0.23 0.00 0.04 0.00 0.00 61.00 62.95 1jxf s PRO 18 Cb -0.11 -3.32 1.42 0.00 0.04 0.00 0.00 34.50 32.53 1jxf s PRO 18 CO -0.07 -0.10 2.07 0.66 0.04 0.00 0.00 177.00 179.59 1jxf h SER 19 N 6.00 0.00 -3.28 6.66 4.64 -1.61 -3.38 113.55 122.57 1jxf h SER 19 Ca -0.43 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.36 1jxf h SER 19 Cb 1.21 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.95 1jxf h SER 19 CO 0.77 0.00 -0.81 -0.89 -0.87 0.00 0.00 176.83 175.02 1jxf s THR 20 N -4.94 1.16 -0.03 2.95 2.01 -1.26 -1.44 115.64 114.09 1jxf s THR 20 Ca -0.05 -0.43 -0.02 0.00 0.31 0.00 0.00 61.69 61.50 1jxf s THR 20 Cb 0.18 -1.11 0.01 0.00 0.01 0.00 0.00 72.50 71.59 1jxf s THR 20 CO 0.67 0.38 0.07 0.68 -0.69 0.00 0.00 174.62 175.73 1jxf s VAL 21 N 1.19 -0.01 -0.00 3.82 -7.23 -1.17 -5.05 120.40 111.94 1jxf s VAL 21 Ca -0.04 0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.18 1jxf s VAL 21 Cb -0.14 -0.11 0.00 0.00 0.56 0.00 0.00 36.38 36.69 1jxf s VAL 21 CO -0.03 0.02 -0.00 0.28 -0.31 0.00 0.00 175.10 175.06 1jxf s THR 22 N 0.29 0.01 0.29 5.32 -1.32 -1.26 -2.09 115.64 116.88 1jxf s THR 22 Ca -0.02 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.50 1jxf s THR 22 Cb -0.03 -0.03 -0.02 0.00 -1.51 0.00 0.00 72.50 70.92 1jxf s THR 22 CO -0.01 0.01 0.15 2.30 -2.21 0.00 0.00 174.62 174.86 1jxf n ILE 23 N 3.14 0.00 -1.35 5.08 -5.35 -1.04 -4.90 119.36 114.94 1jxf n ILE 23 Ca -0.13 -1.85 -0.30 0.00 -0.27 0.00 0.00 62.75 60.20 1jxf n ILE 23 Cb 0.59 0.76 0.24 0.00 -1.74 0.00 0.00 39.64 39.49 1jxf n ILE 23 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1jxf n LYS 24 N -0.63 -2.54 -3.42 6.28 5.02 -1.26 -1.50 118.16 120.12 1jxf n LYS 24 Ca -0.01 -1.87 -0.44 0.00 -2.02 0.00 0.00 58.31 53.98 1jxf n LYS 24 Cb 0.47 -1.56 -0.08 0.00 -0.02 0.00 0.00 35.03 33.84 1jxf n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jxf s ALA 25 N -3.34 3.53 0.00 7.82 0.00 0.45 -3.97 121.76 126.25 1jxf s ALA 25 Ca 0.73 -1.98 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1jxf s ALA 25 Cb -0.05 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1jxf s ALA 25 CO 0.54 -1.64 0.00 0.41 0.00 0.00 0.00 175.76 175.08 1jxf n GLY 26 N 5.19 1.17 3.74 0.00 0.00 0.13 -4.92 105.19 110.49 1jxf n GLY 26 Ca -0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.68 -4.68 1.61 4.07 -1.23 -4.75 120.64 114.98 1jxf n GLU 27 Ca 0.00 -2.30 -0.31 0.00 -0.06 0.00 0.00 57.16 54.49 1jxf n GLU 27 Cb 0.00 -0.99 -0.07 0.00 -0.06 0.00 0.00 31.44 30.32 1jxf n GLU 27 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1jxf s GLU 28 N -5.42 2.13 -0.01 5.31 8.01 -1.26 -1.24 118.70 126.23 1jxf s GLU 28 Ca 0.68 -2.35 -0.07 0.00 0.01 0.00 0.00 54.97 53.24 1jxf s GLU 28 Cb -0.03 -1.16 0.00 0.00 -4.31 0.00 0.00 34.13 28.64 1jxf s GLU 28 CO 0.47 -0.44 0.14 0.08 0.01 0.00 0.00 175.26 175.52 1jxf s VAL 29 N -3.00 0.07 0.17 2.63 1.01 -0.89 -3.60 120.40 116.78 1jxf s VAL 29 Ca 0.10 -0.57 0.10 0.00 0.00 0.00 0.00 61.98 61.61 1jxf s VAL 29 Cb 0.01 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1jxf s VAL 29 CO 0.06 -0.31 -0.23 -0.75 0.00 0.00 0.00 175.10 173.88 1jxf s LYS 30 N -1.13 1.41 0.30 2.72 2.20 -0.95 -1.81 119.74 122.48 1jxf s LYS 30 Ca -0.12 -1.44 0.08 0.00 -0.36 0.00 0.00 55.97 54.12 1jxf s LYS 30 Cb -0.06 -1.68 -0.06 0.00 -1.51 0.00 0.00 37.83 34.52 1jxf s LYS 30 CO 0.01 0.36 -0.07 -1.58 -0.36 0.00 0.00 175.35 173.71 1jxf s TRP 31 N -1.66 2.09 -0.02 4.03 0.51 -0.50 -2.15 118.94 121.23 1jxf s TRP 31 Ca 0.17 -0.63 0.01 0.00 -2.12 0.00 0.00 56.10 53.54 1jxf s TRP 31 Cb -0.08 -1.18 0.01 0.00 -0.81 0.00 0.00 33.47 31.41 1jxf s TRP 31 CO 0.08 0.38 -0.04 0.08 -0.51 0.00 0.00 176.95 176.94 1jxf s VAL 32 N -2.88 0.40 0.07 4.03 1.01 -0.15 -3.36 120.40 119.53 1jxf s VAL 32 Ca 0.30 -0.13 -0.31 0.00 0.00 0.00 0.00 61.98 61.85 1jxf s VAL 32 Cb 0.03 -0.40 -0.06 0.00 0.00 0.00 0.00 36.38 35.95 1jxf s VAL 32 CO 0.13 0.16 1.19 0.21 0.00 0.00 0.00 175.10 176.79 1jxf s ASN 33 N 0.42 7.09 0.02 3.32 3.84 -1.19 -2.81 114.94 125.63 1jxf s ASN 33 Ca -0.05 2.03 0.00 0.00 0.21 0.00 0.00 52.86 55.05 1jxf s ASN 33 Cb -0.08 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 38.04 1jxf s ASN 33 CO -0.00 -0.45 0.00 0.59 -2.79 0.00 0.00 177.10 174.45 1jxf n ASN 34 N 3.77 1.98 -4.18 -4.21 4.13 -1.26 -4.63 115.26 110.86 1jxf n ASN 34 Ca 0.08 -1.07 -0.30 0.00 1.68 0.00 0.00 54.58 54.97 1jxf n ASN 34 Cb 0.46 0.01 0.18 0.00 -1.54 0.00 0.00 39.78 38.90 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 -2.06 0.56 -0.31 3.52 -0.14 -1.25 -4.67 119.74 115.38 1jxf s LYS 35 Ca 0.00 -0.31 -0.01 0.00 -1.36 0.00 0.00 55.97 54.29 1jxf s LYS 35 Cb -0.00 -1.83 -0.01 0.00 -1.68 0.00 0.00 37.83 34.31 1jxf s LYS 35 CO 0.00 -2.48 0.29 1.28 -0.76 0.00 0.00 175.35 173.67 1jxf n LEU 36 N -3.84 -3.63 -4.97 3.17 4.32 -1.26 -4.43 117.00 106.35 1jxf n LEU 36 Ca 0.14 -0.11 -0.21 0.00 -0.02 0.00 0.00 56.01 55.82 1jxf n LEU 36 Cb 0.60 -1.74 -0.01 0.00 -1.62 0.00 0.00 43.42 40.65 1jxf n LEU 36 CO 0.47 -0.26 0.08 -0.94 -1.22 0.00 0.00 177.39 175.52 1jxf s SER 37 N -2.63 6.10 0.72 -1.43 1.04 -1.26 -4.30 113.70 111.94 1jxf s SER 37 Ca 0.06 0.06 -0.11 0.00 0.48 0.00 0.00 55.95 56.44 1jxf s SER 37 Cb -0.01 -1.59 0.02 0.00 0.10 0.00 0.00 66.02 64.55 1jxf s SER 37 CO 0.28 -0.35 1.07 -2.16 0.98 0.00 0.00 173.24 173.06 1jxf s PRO 38 N -4.20 2.71 -0.21 4.02 0.04 -1.26 -5.16 135.00 130.93 1jxf s PRO 38 Ca 0.42 0.87 -0.04 0.00 0.04 0.00 0.00 61.00 62.29 1jxf s PRO 38 Cb -0.09 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.55 1jxf s PRO 38 CO 0.32 -1.24 0.13 -1.01 0.04 0.00 0.00 177.00 175.24 1jxf s HIS 39 N -3.07 0.12 0.31 0.56 3.76 -1.03 -5.03 115.29 110.90 1jxf s HIS 39 Ca 0.59 -0.36 0.09 0.00 -0.15 0.00 0.00 55.06 55.22 1jxf s HIS 39 Cb -0.14 -0.68 -0.04 0.00 1.11 0.00 0.00 32.58 32.82 1jxf s HIS 39 CO 0.55 -0.62 0.07 0.54 -0.85 0.00 0.00 174.74 174.43 1jxf s ASN 40 N 2.17 4.60 -0.35 1.40 4.22 -1.26 -2.99 114.94 122.72 1jxf s ASN 40 Ca 0.05 -0.73 0.02 0.00 -2.14 0.00 0.00 52.86 50.06 1jxf s ASN 40 Cb -0.16 -0.78 0.10 0.00 1.28 0.00 0.00 41.25 41.70 1jxf s ASN 40 CO -0.17 -0.16 0.10 -0.63 -2.04 0.00 0.00 177.10 174.19 1jxf s ILE 41 N -2.39 1.73 -0.21 0.54 1.01 -1.22 -4.56 121.20 116.11 1jxf s ILE 41 Ca 0.35 -2.09 -0.04 0.00 0.00 0.00 0.00 60.65 58.86 1jxf s ILE 41 Cb -0.04 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 1jxf s ILE 41 CO 0.21 -0.66 -0.02 0.68 0.00 0.00 0.00 174.94 175.15 1jxf s VAL 42 N 1.03 3.72 -0.55 2.92 -7.23 -1.22 1.00 120.40 120.07 1jxf s VAL 42 Ca 0.11 -0.39 -0.18 0.00 -1.81 0.00 0.00 61.98 59.72 1jxf s VAL 42 Cb -0.19 -2.69 0.11 0.00 0.56 0.00 0.00 36.38 34.17 1jxf s VAL 42 CO -0.13 0.42 0.59 -0.36 -0.31 0.00 0.00 175.10 175.32 1jxf s PHE 43 N 1.18 3.12 -0.48 2.82 0.08 -1.26 -2.46 117.98 120.97 1jxf s PHE 43 Ca 0.03 -1.03 -0.29 0.00 0.12 0.00 0.00 56.93 55.76 1jxf s PHE 43 Cb -0.15 -3.80 0.02 0.00 -0.57 0.00 0.00 43.02 38.52 1jxf s PHE 43 CO 0.00 -1.12 1.30 0.00 -0.10 0.00 0.00 175.22 175.31 1jxf s ALA 44 N 2.18 3.03 -0.98 5.36 0.00 -0.15 -4.68 121.76 126.53 1jxf s ALA 44 Ca 0.08 -0.43 -0.23 0.00 0.00 0.00 0.00 51.96 51.38 1jxf s ALA 44 Cb -0.26 -3.97 -0.25 0.00 0.00 0.00 0.00 23.12 18.64 1jxf s ALA 44 CO 0.06 -2.49 2.50 0.00 0.00 0.00 0.00 175.76 175.83 1jxf n ALA 45 N 8.62 0.59 -3.64 0.00 0.00 -1.26 -4.29 120.51 120.54 1jxf n ALA 45 Ca 0.13 -0.51 -0.28 0.00 0.00 0.00 0.00 53.44 52.79 1jxf n ALA 45 Cb 0.49 -2.37 -0.10 0.00 0.00 0.00 0.00 19.45 17.47 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 9.21 3.52 0.00 0.00 -0.08 -1.26 -4.71 116.55 123.22 1jxf n ASP 46 Ca 0.65 -3.34 0.00 0.00 -1.51 0.00 0.00 54.79 50.60 1jxf n ASP 46 Cb 0.09 -0.73 0.00 0.00 2.34 0.00 0.00 41.12 42.82 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 1.39 1.63 3.99 0.27 0.00 -1.26 -4.75 105.19 106.46 1jxf n GLY 47 Ca 0.25 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1jxf n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jxf s VAL 48 N -1.36 2.02 0.67 1.61 0.11 -1.26 -4.87 120.40 117.32 1jxf s VAL 48 Ca 0.00 -0.48 -0.12 0.00 -2.93 0.00 0.00 61.98 58.45 1jxf s VAL 48 Cb 0.00 -2.54 -0.00 0.00 -1.53 0.00 0.00 36.38 32.31 1jxf s VAL 48 CO 0.00 0.00 1.06 -1.81 -3.33 0.00 0.00 175.10 171.02 1jxf s ASP 49 N -4.83 5.47 0.00 3.54 1.11 -1.26 -4.88 116.67 115.82 1jxf s ASP 49 Ca 0.70 1.68 0.00 0.00 0.18 0.00 0.00 52.55 55.11 1jxf s ASP 49 Cb -0.04 -2.51 0.00 0.00 1.07 0.00 0.00 42.92 41.45 1jxf s ASP 49 CO 0.47 -1.38 0.46 0.00 1.18 0.00 0.00 175.17 175.90 1jxf n ALA 50 N -2.82 -0.23 -0.51 5.23 0.00 -1.26 -1.06 120.51 119.86 1jxf n ALA 50 Ca 0.08 0.00 0.42 0.00 0.00 0.00 0.00 53.44 53.94 1jxf n ALA 50 Cb 0.53 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.68 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 0.17 0.09 0.00 3.32 -1.97 1.73 116.42 119.76 1jxf h ASP 51 Ca 0.00 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1jxf h ASP 51 Cb 0.00 0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1jxf h ASP 51 CO 0.00 -0.19 -0.04 0.74 -1.72 0.00 0.00 179.24 178.03 1jxf h THR 52 N 0.03 1.14 0.00 0.35 2.02 -1.95 -2.72 112.91 111.77 1jxf h THR 52 Ca 0.87 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1jxf h THR 52 Cb 2.93 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 71.08 1jxf h THR 52 CO -0.36 0.23 0.00 0.00 0.37 0.00 0.00 175.52 175.76 1jxf n ALA 53 N -2.39 1.90 -0.02 6.16 0.00 0.38 -1.46 120.51 125.08 1jxf n ALA 53 Ca -0.09 -0.07 -0.16 0.00 0.00 0.00 0.00 53.44 53.12 1jxf n ALA 53 Cb 0.24 -1.31 -0.09 0.00 0.00 0.00 0.00 19.45 18.29 1jxf n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jxf h ALA 54 N 2.69 0.15 0.00 0.00 0.00 0.23 -2.28 119.26 120.05 1jxf h ALA 54 Ca 0.00 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1jxf h ALA 54 Cb 0.32 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1jxf h ALA 54 CO 0.00 0.35 -0.15 -0.22 0.00 0.00 0.00 179.25 179.22 1jxf h LYS 55 N 0.01 0.00 -1.19 0.00 3.64 -1.26 -3.28 116.57 114.50 1jxf h LYS 55 Ca -0.05 0.00 0.34 0.00 -1.27 0.00 0.00 60.65 59.68 1jxf h LYS 55 Cb 1.18 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.95 1jxf h LYS 55 CO 0.10 0.60 0.85 -0.07 -2.27 0.00 0.00 179.45 178.67 1jxf h LEU 56 N -1.00 0.00-10.26 5.20 4.07 -1.40 -3.40 115.31 108.53 1jxf h LEU 56 Ca -0.03 0.00 -0.50 0.00 0.08 0.00 0.00 57.88 57.43 1jxf h LEU 56 Cb 0.66 0.00 0.07 0.00 1.08 0.00 0.00 40.66 42.48 1jxf h LEU 56 CO -0.02 0.00 0.37 -0.94 -1.08 0.00 0.00 178.44 176.77 1jxf s SER 57 N -5.17 5.66 -0.25 -0.43 1.04 -0.86 -4.77 113.70 108.93 1jxf s SER 57 Ca -0.05 1.72 -0.00 0.00 0.48 0.00 0.00 55.95 58.10 1jxf s SER 57 Cb 0.23 -2.52 0.07 0.00 0.10 0.00 0.00 66.02 63.90 1jxf s SER 57 CO 0.81 -1.25 0.00 -1.00 0.98 0.00 0.00 173.24 172.78 1jxf s HIS 58 N -2.71 2.06 -0.45 5.02 3.76 0.28 -4.88 115.29 118.37 1jxf s HIS 58 Ca 0.61 -1.63 0.03 0.00 -0.15 0.00 0.00 55.06 53.92 1jxf s HIS 58 Cb -0.15 -1.57 0.46 0.00 1.11 0.00 0.00 32.58 32.43 1jxf s HIS 58 CO 0.44 -0.77 1.55 1.63 -0.85 0.00 0.00 174.74 176.75 1jxf n LYS 59 N 4.76 3.15 -0.08 1.40 5.02 -1.26 -3.41 118.16 127.75 1jxf n LYS 59 Ca -0.08 -3.76 -0.09 0.00 -2.02 0.00 0.00 58.31 52.35 1jxf n LYS 59 Cb 0.44 -2.26 -0.15 0.00 -0.02 0.00 0.00 35.03 33.04 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 -0.82 -1.00 1.66 0.72 0.00 -1.26 -5.09 105.19 99.41 1jxf n GLY 60 Ca 0.51 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1jxf n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jxf n LEU 61 N -2.82 -4.73 -4.71 0.99 7.99 -1.26 -4.97 117.00 107.49 1jxf n LEU 61 Ca -0.28 1.91 -0.35 0.00 -0.01 0.00 0.00 56.01 57.28 1jxf n LEU 61 Cb 1.11 -2.37 -0.08 0.00 -0.11 0.00 0.00 43.42 41.97 1jxf n LEU 61 CO 0.44 -1.47 -0.19 0.00 -1.51 0.00 0.00 177.39 174.66 1jxf s ALA 62 N -0.35 3.64 0.00 -1.18 0.00 -1.16 -4.93 121.76 117.78 1jxf s ALA 62 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1jxf s ALA 62 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 20.96 1jxf s ALA 62 CO 0.00 0.12 0.00 1.19 0.00 0.00 0.00 175.76 177.07 1jxf n PHE 63 N 3.62 0.00 -2.53 0.00 3.72 -1.26 -2.47 117.46 118.54 1jxf n PHE 63 Ca -0.16 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.84 1jxf n PHE 63 Cb 0.52 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.02 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 -1.84 3.39 -0.95 4.37 0.00 -1.26 -4.93 121.76 120.54 1jxf s ALA 64 Ca 0.00 0.83 -0.24 0.00 0.00 0.00 0.00 51.96 52.55 1jxf s ALA 64 Cb 0.00 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 1jxf s ALA 64 CO 0.00 -0.13 1.82 0.00 0.00 0.00 0.00 175.76 177.45 1jxf s ALA 65 N -0.83 1.96 0.00 0.00 0.00 -1.26 -3.52 121.76 118.10 1jxf s ALA 65 Ca 0.46 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1jxf s ALA 65 Cb -0.30 -4.55 0.00 0.00 0.00 0.00 0.00 23.12 18.26 1jxf s ALA 65 CO 0.38 -4.50 0.00 0.41 0.00 0.00 0.00 175.76 172.04 1jxf n GLY 66 N 6.81 0.00 2.87 0.00 0.00 -1.26 -5.08 105.19 108.53 1jxf n GLY 66 Ca 0.39 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.10 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 1.12 0.16 1.61 0.41 -1.23 -4.99 118.70 115.78 1jxf s GLU 67 Ca 0.00 -1.39 -0.01 0.00 -0.41 0.00 0.00 54.97 53.16 1jxf s GLU 67 Cb 0.00 -2.55 -0.04 0.00 -1.78 0.00 0.00 34.13 29.75 1jxf s GLU 67 CO 0.00 -0.92 0.35 -1.12 -0.49 0.00 0.00 175.26 173.07 1jxf s SER 68 N 1.30 6.40 0.31 -0.19 0.01 -1.26 -3.17 113.70 117.10 1jxf s SER 68 Ca 0.09 0.39 0.05 0.00 1.31 0.00 0.00 55.95 57.79 1jxf s SER 68 Cb -0.18 -2.01 -0.06 0.00 0.21 0.00 0.00 66.02 63.98 1jxf s SER 68 CO -0.16 0.02 0.00 -0.36 0.41 0.00 0.00 173.24 173.15 1jxf s PHE 69 N -1.76 2.02 0.05 2.43 0.08 -1.21 -4.92 117.98 114.67 1jxf s PHE 69 Ca 0.38 -0.81 0.03 0.00 0.12 0.00 0.00 56.93 56.65 1jxf s PHE 69 Cb -0.11 -1.27 -0.03 0.00 -0.57 0.00 0.00 43.02 41.04 1jxf s PHE 69 CO 0.28 0.18 -0.09 0.99 -0.10 0.00 0.00 175.22 176.49 1jxf s THR 70 N -3.10 0.64 0.00 0.64 2.01 -1.26 -1.41 115.64 113.16 1jxf s THR 70 Ca 0.33 -1.21 -0.03 0.00 0.31 0.00 0.00 61.69 61.09 1jxf s THR 70 Cb 0.07 -0.79 -0.01 0.00 0.01 0.00 0.00 72.50 71.78 1jxf s THR 70 CO 0.14 -0.41 0.06 -0.94 -0.69 0.00 0.00 174.62 172.77 1jxf s SER 71 N -1.77 0.08 -0.27 3.53 1.04 -0.75 -4.92 113.70 110.64 1jxf s SER 71 Ca -0.06 -0.21 -0.12 0.00 0.48 0.00 0.00 55.95 56.03 1jxf s SER 71 Cb -0.08 0.15 -0.05 0.00 0.10 0.00 0.00 66.02 66.14 1jxf s SER 71 CO 0.00 -0.24 0.23 -0.89 0.98 0.00 0.00 173.24 173.32 1jxf s THR 72 N -0.99 5.28 -0.83 2.02 2.01 -1.26 -2.10 115.64 119.76 1jxf s THR 72 Ca -0.11 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.17 1jxf s THR 72 Cb -0.06 -3.57 0.34 0.00 0.01 0.00 0.00 72.50 69.21 1jxf s THR 72 CO 0.00 0.23 1.54 0.49 -0.69 0.00 0.00 174.62 176.19 1jxf n PHE 73 N 5.07 3.24 -0.01 4.92 3.01 -0.37 -4.78 117.46 128.54 1jxf n PHE 73 Ca -0.13 -3.00 -0.00 0.00 1.01 0.00 0.00 57.45 55.33 1jxf n PHE 73 Cb 0.52 -0.90 -0.00 0.00 -0.01 0.00 0.00 39.48 39.08 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 2.44 0.00 -2.90 4.37 1.35 -1.86 0.37 112.91 116.69 1jxf h THR 74 Ca 0.40 -0.30 -0.53 0.00 -0.55 0.00 0.00 66.41 65.43 1jxf h THR 74 Cb 0.38 0.00 0.02 0.00 -1.73 0.00 0.00 68.15 66.82 1jxf h THR 74 CO 1.08 0.00 0.82 -0.70 -0.25 0.00 0.00 175.52 176.47 1jxf s GLU 75 N -1.28 4.28 -0.47 4.72 2.56 -1.26 -3.72 118.70 123.52 1jxf s GLU 75 Ca -0.00 2.12 -0.28 0.00 0.00 0.00 0.00 54.97 56.81 1jxf s GLU 75 Cb 0.00 -3.39 0.01 0.00 2.00 0.00 0.00 34.13 32.75 1jxf s GLU 75 CO 0.01 -0.55 1.45 -1.25 -0.56 0.00 0.00 175.26 174.36 1jxf s PRO 76 N 1.75 3.42 0.00 4.30 0.04 -1.26 -4.88 135.00 138.37 1jxf s PRO 76 Ca 0.67 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1jxf s PRO 76 Cb -0.37 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.09 1jxf s PRO 76 CO 0.30 -1.77 0.00 0.41 0.04 0.00 0.00 177.00 175.98 1jxf n GLY 77 N 5.19 4.30 2.68 0.56 0.00 -1.26 -4.98 105.19 111.67 1jxf n GLY 77 Ca 0.15 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 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 0.02 -0.24 -0.10 2.61 2.01 -1.26 -2.65 115.64 116.02 1jxf s THR 78 Ca 0.00 -0.40 -0.15 0.00 0.31 0.00 0.00 61.69 61.45 1jxf s THR 78 Cb 0.00 -0.83 -0.05 0.00 0.01 0.00 0.00 72.50 71.63 1jxf s THR 78 CO 0.00 -0.43 0.37 -0.31 -0.69 0.00 0.00 174.62 173.56 1jxf s TYR 79 N 2.25 3.56 -0.23 4.92 1.51 -1.04 -4.20 117.35 124.11 1jxf s TYR 79 Ca 0.07 0.79 -0.02 0.00 -1.01 0.00 0.00 57.07 56.91 1jxf s TYR 79 Cb -0.15 -2.37 0.02 0.00 -0.11 0.00 0.00 41.96 39.35 1jxf s TYR 79 CO -0.24 0.36 -0.07 0.99 -1.11 0.00 0.00 175.55 175.47 1jxf s THR 80 N -0.01 2.88 -0.05 -0.71 2.01 -1.26 -1.02 115.64 117.48 1jxf s THR 80 Ca 0.21 -0.91 0.06 0.00 0.31 0.00 0.00 61.69 61.36 1jxf s THR 80 Cb -0.15 -2.41 -0.02 0.00 0.01 0.00 0.00 72.50 69.94 1jxf s THR 80 CO 0.08 0.28 -0.22 -0.72 -0.69 0.00 0.00 174.62 173.36 1jxf s TYR 81 N 1.35 2.50 0.34 4.92 1.13 -1.23 -0.97 117.35 125.38 1jxf s TYR 81 Ca 0.02 -0.51 0.05 0.00 -1.41 0.00 0.00 57.07 55.22 1jxf s TYR 81 Cb -0.16 -1.60 -0.02 0.00 -1.10 0.00 0.00 41.96 39.08 1jxf s TYR 81 CO -0.05 -0.08 0.34 1.52 -2.51 0.00 0.00 175.55 174.77 1jxf s TYR 82 N -0.37 1.60 -0.18 -3.49 -0.85 -1.03 -2.16 117.35 110.88 1jxf s TYR 82 Ca 0.03 -1.59 -0.18 0.00 -0.52 0.00 0.00 57.07 54.81 1jxf s TYR 82 Cb -0.12 -0.55 -0.04 0.00 0.38 0.00 0.00 41.96 41.63 1jxf s TYR 82 CO 0.02 -0.96 0.49 0.00 -1.52 0.00 0.00 175.55 173.58 1jxf n GLU 84 N 4.42 -0.18 0.04 0.00 1.02 -1.26 0.15 120.64 124.83 1jxf n GLU 84 Ca -0.06 1.45 -0.09 0.00 -0.02 0.00 0.00 57.16 58.45 1jxf n GLU 84 Cb 0.51 -2.16 -0.06 0.00 -0.02 0.00 0.00 31.44 29.70 1jxf n GLU 84 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1jxf h PRO 85 N 0.00 -0.19 -1.99 3.49 0.13 -1.97 -3.31 132.00 128.17 1jxf h PRO 85 Ca 0.36 0.01 -0.39 0.00 -0.87 0.00 0.00 66.00 65.11 1jxf h PRO 85 Cb 0.60 0.04 -0.14 0.00 0.13 0.00 0.00 31.00 31.63 1jxf h PRO 85 CO -0.94 0.20 0.13 0.72 -0.23 0.00 0.00 178.00 177.88 1jxf n HIS 86 N -4.89 1.06 -0.06 1.56 8.25 -0.61 -4.41 115.22 116.12 1jxf n HIS 86 Ca -0.06 -1.79 -0.09 0.00 -0.26 0.00 0.00 57.72 55.51 1jxf n HIS 86 Cb 0.24 -1.44 -0.08 0.00 1.12 0.00 0.00 29.99 29.83 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 2.95 0.00 -0.54 -0.41 2.43 0.13 -3.28 114.38 115.66 1jxf h ARG 87 Ca 0.32 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 59.15 1jxf h ARG 87 Cb 0.99 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 30.32 1jxf h ARG 87 CO 0.66 0.64 -0.13 0.41 -1.51 0.00 0.00 179.97 180.03 1jxf n GLY 88 N 1.66 5.41 0.08 2.80 0.00 -1.26 -4.48 105.19 109.40 1jxf n GLY 88 Ca -0.07 -1.73 -0.06 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.00 1.72 0.00 4.61 0.00 -1.26 -4.98 120.51 119.60 1jxf n ALA 89 Ca 0.40 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1jxf n ALA 89 Cb 0.97 -0.39 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 1.63 1.24 3.50 0.00 0.00 -1.26 -5.09 105.19 105.21 1jxf n GLY 90 Ca -0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 3.18 0.20 1.61 -2.45 -1.26 -4.96 119.30 115.62 1jxf s MET 91 Ca 0.00 -0.59 -0.07 0.00 -1.25 0.00 0.00 55.69 53.79 1jxf s MET 91 Cb 0.00 -4.26 -0.02 0.00 1.25 0.00 0.00 34.83 31.80 1jxf s MET 91 CO 0.00 -1.99 0.28 0.08 1.05 0.00 0.00 175.02 174.44 1jxf s VAL 92 N 4.86 0.03 0.12 10.11 1.01 -1.26 -4.09 120.40 131.18 1jxf s VAL 92 Ca 0.29 -1.65 0.01 0.00 0.00 0.00 0.00 61.98 60.64 1jxf s VAL 92 Cb -0.12 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1jxf s VAL 92 CO 0.11 -0.11 -0.01 -0.83 0.00 0.00 0.00 175.10 174.26 1jxf s GLY 93 N -3.06 0.92 -0.05 4.51 0.00 -0.92 -4.64 107.32 104.09 1jxf s GLY 93 Ca 0.27 -1.44 0.02 0.00 0.00 0.00 0.00 44.72 43.57 1jxf s GLY 93 CO 0.07 -1.44 -0.09 1.25 0.00 0.00 0.00 173.10 172.89 1jxf s LYS 94 N -3.92 1.26 -0.01 2.90 2.20 -0.52 -3.58 119.74 118.07 1jxf s LYS 94 Ca 0.18 -0.28 0.05 0.00 -0.36 0.00 0.00 55.97 55.56 1jxf s LYS 94 Cb 0.06 -1.11 -0.03 0.00 -1.51 0.00 0.00 37.83 35.24 1jxf s LYS 94 CO -0.01 -0.00 -0.16 0.08 -0.36 0.00 0.00 175.35 174.89 1jxf s VAL 95 N 0.70 2.89 0.01 4.02 1.01 -0.19 -3.03 120.40 125.80 1jxf s VAL 95 Ca -0.12 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 60.94 1jxf s VAL 95 Cb -0.14 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 1jxf s VAL 95 CO 0.02 0.48 -0.07 -0.69 0.00 0.00 0.00 175.10 174.84 1jxf s VAL 96 N -0.81 0.55 0.00 2.92 1.01 -0.89 -2.51 120.40 120.68 1jxf s VAL 96 Ca 0.13 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.69 1jxf s VAL 96 Cb -0.11 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 1jxf s VAL 96 CO 0.03 0.04 -0.15 -0.69 0.00 0.00 0.00 175.10 174.33 1jxf s VAL 97 N -0.41 1.20 0.00 2.92 1.01 -1.09 -2.51 120.40 121.52 1jxf s VAL 97 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1jxf s VAL 97 Cb -0.04 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.32 1jxf s VAL 97 CO -0.00 0.25 0.16 0.47 0.00 0.00 0.00 175.10 175.97