#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 0.99 0.32 0.00 0.01 -1.26 -4.85 114.94 110.14 1jxf s ASN 2 Ca 0.00 -1.53 -0.18 0.00 -0.71 0.00 0.00 52.86 50.44 1jxf s ASN 2 Cb 0.00 0.57 -0.09 0.00 0.41 0.00 0.00 41.25 42.14 1jxf s ASN 2 CO 0.00 -1.13 0.79 0.00 -1.51 0.00 0.00 177.10 175.25 1jxf s ALA 3 N -3.44 3.29 0.00 0.60 0.00 -1.15 -4.91 121.76 116.15 1jxf s ALA 3 Ca 0.35 0.18 0.08 0.00 0.00 0.00 0.00 51.96 52.57 1jxf s ALA 3 Cb 0.02 -2.88 -0.02 0.00 0.00 0.00 0.00 23.12 20.23 1jxf s ALA 3 CO 0.21 0.28 -0.24 0.99 0.00 0.00 0.00 175.76 177.00 1jxf s THR 4 N -1.87 2.24 -0.05 0.00 2.01 -1.26 0.91 115.64 117.62 1jxf s THR 4 Ca 0.52 -1.17 -0.02 0.00 0.31 0.00 0.00 61.69 61.33 1jxf s THR 4 Cb -0.12 -1.83 0.03 0.00 0.01 0.00 0.00 72.50 70.59 1jxf s THR 4 CO 0.18 0.49 0.06 -0.69 -0.69 0.00 0.00 174.62 173.97 1jxf s VAL 5 N -0.72 -0.09 -0.27 3.82 1.01 0.17 -4.35 120.40 119.98 1jxf s VAL 5 Ca 0.11 0.37 -0.10 0.00 0.00 0.00 0.00 61.98 62.36 1jxf s VAL 5 Cb -0.10 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 1jxf s VAL 5 CO 0.01 0.15 0.17 -1.59 0.00 0.00 0.00 175.10 173.83 1jxf s LYS 6 N 2.16 3.92 -1.20 2.72 -2.85 0.36 0.16 119.74 125.01 1jxf s LYS 6 Ca 0.05 -0.34 -0.10 0.00 -1.00 0.00 0.00 55.97 54.58 1jxf s LYS 6 Cb -0.12 -3.59 0.20 0.00 -2.06 0.00 0.00 37.83 32.27 1jxf s LYS 6 CO -0.04 -0.14 1.52 -1.33 0.10 0.00 0.00 175.35 175.46 1jxf n MET 7 N 4.92 3.61 0.00 1.78 2.81 0.99 -2.36 117.12 128.86 1jxf n MET 7 Ca -0.14 -3.94 0.00 0.00 -1.81 0.00 0.00 57.70 51.80 1jxf n MET 7 Cb 0.52 -2.86 0.00 0.00 -0.71 0.00 0.00 33.22 30.17 1jxf n MET 7 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jxf n GLY 8 N 3.13 2.75 3.22 3.03 0.00 0.33 -3.48 105.19 114.17 1jxf n GLY 8 Ca 0.34 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 -3.96 -3.30 1.61 3.41 -0.90 -4.60 113.62 105.89 1jxf n SER 9 Ca 0.00 0.57 -0.31 0.00 -0.26 0.00 0.00 58.87 58.86 1jxf n SER 9 Cb 0.00 -0.85 -0.02 0.00 -0.26 0.00 0.00 64.21 63.07 1jxf n SER 9 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jxf n ASP 10 N 2.54 6.03 0.17 4.04 -0.08 -1.26 -3.23 116.55 124.76 1jxf n ASP 10 Ca 0.06 -2.48 0.00 0.00 -1.51 0.00 0.00 54.79 50.86 1jxf n ASP 10 Cb 0.49 -1.30 0.00 0.00 2.34 0.00 0.00 41.12 42.65 1jxf n ASP 10 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1jxf n SER 11 N 4.39 -2.67 0.00 1.67 7.64 -1.26 -5.07 113.62 118.33 1jxf n SER 11 Ca 0.58 0.64 0.00 0.00 1.01 0.00 0.00 58.87 61.10 1jxf n SER 11 Cb 0.21 2.60 0.00 0.00 -1.01 0.00 0.00 64.21 66.01 1jxf n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jxf n GLY 12 N -0.86 -0.10 2.82 0.23 0.00 -1.20 -5.06 105.19 101.01 1jxf n GLY 12 Ca 0.00 0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 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 0.48 -0.68 4.61 0.00 -1.26 -4.97 121.76 119.95 1jxf s ALA 13 Ca 0.00 0.05 -0.27 0.00 0.00 0.00 0.00 51.96 51.74 1jxf s ALA 13 Cb 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1jxf s ALA 13 CO 0.00 -0.17 1.60 -0.48 0.00 0.00 0.00 175.76 176.70 1jxf s LEU 14 N 1.29 3.23 -0.03 0.00 0.05 -1.26 -2.11 118.68 119.84 1jxf s LEU 14 Ca -0.06 -0.05 -0.08 0.00 0.05 0.00 0.00 54.13 53.98 1jxf s LEU 14 Cb -0.13 -2.54 0.01 0.00 -2.05 0.00 0.00 46.19 41.47 1jxf s LEU 14 CO -0.02 -2.13 0.19 0.68 -0.55 0.00 0.00 176.35 174.52 1jxf s VAL 15 N 7.55 0.05 -0.32 1.48 -7.23 -1.26 -4.76 120.40 115.91 1jxf s VAL 15 Ca 0.53 -0.38 -0.17 0.00 -1.81 0.00 0.00 61.98 60.14 1jxf s VAL 15 Cb -0.10 -0.40 -0.02 0.00 0.56 0.00 0.00 36.38 36.42 1jxf s VAL 15 CO 0.17 -0.21 0.48 -0.36 -0.31 0.00 0.00 175.10 174.87 1jxf s PHE 16 N -0.77 3.21 -0.06 2.82 0.08 -1.26 -0.51 117.98 121.48 1jxf s PHE 16 Ca -0.09 0.30 -0.05 0.00 0.12 0.00 0.00 56.93 57.21 1jxf s PHE 16 Cb -0.05 -2.80 0.02 0.00 -0.57 0.00 0.00 43.02 39.62 1jxf s PHE 16 CO 0.01 -0.42 0.16 -2.00 -0.10 0.00 0.00 175.22 172.87 1jxf s GLU 17 N 2.29 0.18 0.15 0.44 2.12 -1.00 -2.57 118.70 120.31 1jxf s GLU 17 Ca 0.18 0.23 -0.30 0.00 0.36 0.00 0.00 54.97 55.44 1jxf s GLU 17 Cb -0.16 0.07 -0.07 0.00 0.26 0.00 0.00 34.13 34.24 1jxf s GLU 17 CO 0.12 -0.03 1.13 -1.25 -0.54 0.00 0.00 175.26 174.69 1jxf s PRO 18 N 0.15 4.55 0.53 4.30 0.04 -1.26 0.14 135.00 143.44 1jxf s PRO 18 Ca -0.01 1.74 0.32 0.00 0.04 0.00 0.00 61.00 63.10 1jxf s PRO 18 Cb -0.02 -3.29 1.48 0.00 0.04 0.00 0.00 34.50 32.71 1jxf s PRO 18 CO -0.00 -0.02 1.85 1.03 0.04 0.00 0.00 177.00 179.90 1jxf h SER 19 N 5.51 0.04 -3.33 6.66 0.87 -1.80 -3.36 113.55 118.13 1jxf h SER 19 Ca -0.44 0.01 -0.41 0.00 -1.23 0.00 0.00 61.79 59.72 1jxf h SER 19 Cb 1.21 -0.00 -0.37 0.00 -0.44 0.00 0.00 62.40 62.81 1jxf h SER 19 CO 0.74 0.01 -0.76 -0.89 -0.53 0.00 0.00 176.83 175.40 1jxf s THR 20 N -5.01 0.34 -0.06 2.23 2.01 -1.26 -1.72 115.64 112.17 1jxf s THR 20 Ca -0.05 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.08 1jxf s THR 20 Cb 0.22 -0.47 -0.00 0.00 0.01 0.00 0.00 72.50 72.26 1jxf s THR 20 CO 0.79 0.23 -0.19 0.68 -0.69 0.00 0.00 174.62 175.43 1jxf s VAL 21 N 1.64 1.64 -0.22 3.82 -7.23 -1.15 -5.04 120.40 113.85 1jxf s VAL 21 Ca -0.00 -0.81 -0.01 0.00 -1.81 0.00 0.00 61.98 59.34 1jxf s VAL 21 Cb -0.13 -1.42 0.07 0.00 0.56 0.00 0.00 36.38 35.46 1jxf s VAL 21 CO -0.04 0.47 0.01 -0.89 -0.31 0.00 0.00 175.10 174.34 1jxf s THR 22 N 0.18 0.92 0.52 5.32 2.01 -1.26 -2.55 115.64 120.78 1jxf s THR 22 Ca -0.09 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.00 1jxf s THR 22 Cb -0.14 -1.39 -0.00 0.00 0.01 0.00 0.00 72.50 70.98 1jxf s THR 22 CO 0.04 -0.24 0.00 2.30 -0.69 0.00 0.00 174.62 176.03 1jxf n ILE 23 N 4.89 0.00 -1.81 1.82 -5.35 -1.24 -5.06 119.36 112.60 1jxf n ILE 23 Ca -0.09 -2.46 -0.30 0.00 -0.27 0.00 0.00 62.75 59.63 1jxf n ILE 23 Cb 0.45 0.49 0.16 0.00 -1.74 0.00 0.00 39.64 39.01 1jxf n ILE 23 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1jxf s LYS 24 N -3.88 0.83 -0.12 6.28 -0.14 -1.26 -3.04 119.74 118.41 1jxf s LYS 24 Ca 0.00 -0.20 -0.17 0.00 -1.36 0.00 0.00 55.97 54.25 1jxf s LYS 24 Cb 0.00 -1.85 -0.04 0.00 -1.68 0.00 0.00 37.83 34.26 1jxf s LYS 24 CO 0.00 -2.32 0.41 0.00 -0.76 0.00 0.00 175.35 172.69 1jxf s ALA 25 N -3.69 3.53 0.00 5.17 0.00 -1.26 -3.94 121.76 121.58 1jxf s ALA 25 Ca 0.70 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.39 1jxf s ALA 25 Cb -0.07 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.51 1jxf s ALA 25 CO 0.52 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.77 1jxf n GLY 26 N 3.16 2.50 3.77 0.00 0.00 -0.27 -4.93 105.19 109.41 1jxf n GLY 26 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1jxf n GLY 26 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jxf s GLU 27 N -0.28 -0.56 0.35 1.61 2.56 -1.25 -4.62 118.70 116.50 1jxf s GLU 27 Ca 0.00 -0.37 0.04 0.00 0.00 0.00 0.00 54.97 54.64 1jxf s GLU 27 Cb 0.00 -1.70 -0.06 0.00 2.00 0.00 0.00 34.13 34.37 1jxf s GLU 27 CO 0.00 -3.22 0.06 -1.83 -0.56 0.00 0.00 175.26 169.71 1jxf s GLU 28 N -5.75 1.73 0.24 4.30 -1.05 -1.26 -1.22 118.70 115.69 1jxf s GLU 28 Ca 0.75 -1.98 0.07 0.00 -0.15 0.00 0.00 54.97 53.65 1jxf s GLU 28 Cb -0.05 -0.93 -0.05 0.00 -0.44 0.00 0.00 34.13 32.66 1jxf s GLU 28 CO 0.55 -0.21 -0.09 0.08 0.95 0.00 0.00 175.26 176.53 1jxf s VAL 29 N -3.22 1.62 0.01 1.83 1.01 -0.63 -2.92 120.40 118.10 1jxf s VAL 29 Ca 0.34 -2.15 0.03 0.00 0.00 0.00 0.00 61.98 60.20 1jxf s VAL 29 Cb 0.08 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 1jxf s VAL 29 CO 0.15 -0.44 -0.09 -0.75 0.00 0.00 0.00 175.10 173.97 1jxf s LYS 30 N -3.71 0.72 0.26 2.72 2.20 0.26 -2.49 119.74 119.72 1jxf s LYS 30 Ca 0.26 -0.42 0.09 0.00 -0.36 0.00 0.00 55.97 55.54 1jxf s LYS 30 Cb 0.02 -0.69 -0.04 0.00 -1.51 0.00 0.00 37.83 35.61 1jxf s LYS 30 CO 0.09 0.18 0.04 -1.58 -0.36 0.00 0.00 175.35 173.73 1jxf s TRP 31 N -0.42 2.79 -0.19 4.03 0.51 0.12 0.43 118.94 126.22 1jxf s TRP 31 Ca 0.02 -0.20 -0.04 0.00 -2.12 0.00 0.00 56.10 53.76 1jxf s TRP 31 Cb -0.05 -1.25 0.09 0.00 -0.81 0.00 0.00 33.47 31.45 1jxf s TRP 31 CO -0.00 0.60 0.22 0.08 -0.51 0.00 0.00 176.95 177.34 1jxf s VAL 32 N -2.28 -0.33 0.72 4.03 1.01 0.42 -3.21 120.40 120.77 1jxf s VAL 32 Ca 0.32 -0.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.15 1jxf s VAL 32 Cb -0.07 -0.63 0.03 0.00 0.00 0.00 0.00 36.38 35.71 1jxf s VAL 32 CO 0.21 -0.15 1.07 0.21 0.00 0.00 0.00 175.10 176.44 1jxf s ASN 33 N 2.33 5.11 0.00 3.32 2.47 -1.24 -0.01 114.94 126.93 1jxf s ASN 33 Ca 0.06 1.55 0.00 0.00 0.42 0.00 0.00 52.86 54.89 1jxf s ASN 33 Cb -0.15 -2.39 0.00 0.00 -1.45 0.00 0.00 41.25 37.26 1jxf s ASN 33 CO -0.11 -1.61 0.00 0.59 -3.72 0.00 0.00 177.10 172.25 1jxf n ASN 34 N -3.23 0.00 -3.28 -4.21 4.13 -1.23 -4.81 115.26 102.64 1jxf n ASN 34 Ca 0.07 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 56.14 1jxf n ASN 34 Cb 0.54 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.71 1jxf n ASN 34 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1jxf n LYS 35 N -0.31 0.43 -3.08 3.52 4.76 -1.26 -4.89 118.16 117.33 1jxf n LYS 35 Ca 0.00 -3.23 -0.14 0.00 -2.87 0.00 0.00 58.31 52.07 1jxf n LYS 35 Cb 0.00 2.47 0.04 0.00 -1.84 0.00 0.00 35.03 35.70 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 -2.74 -4.84 -0.35 7.99 -1.26 -4.75 117.00 111.05 1jxf n LEU 36 Ca 0.05 -0.29 -0.29 0.00 -0.01 0.00 0.00 56.01 55.46 1jxf n LEU 36 Cb 0.58 -1.97 0.09 0.00 -0.11 0.00 0.00 43.42 42.01 1jxf n LEU 36 CO 0.30 0.35 0.74 -0.94 -1.51 0.00 0.00 177.39 176.33 1jxf s SER 37 N -3.14 4.49 0.85 -1.43 1.04 -1.26 -4.59 113.70 109.67 1jxf s SER 37 Ca 0.32 1.05 -0.12 0.00 0.48 0.00 0.00 55.95 57.68 1jxf s SER 37 Cb -0.14 -1.69 0.10 0.00 0.10 0.00 0.00 66.02 64.39 1jxf s SER 37 CO 0.40 -1.94 1.12 -2.16 0.98 0.00 0.00 173.24 171.63 1jxf s PRO 38 N -5.34 1.62 -0.29 4.02 0.04 -1.26 -5.09 135.00 128.70 1jxf s PRO 38 Ca 0.61 0.46 -0.04 0.00 0.04 0.00 0.00 61.00 62.08 1jxf s PRO 38 Cb -0.13 -1.88 0.10 0.00 0.04 0.00 0.00 34.50 32.63 1jxf s PRO 38 CO 0.52 -1.90 0.14 -1.01 0.04 0.00 0.00 177.00 174.78 1jxf s HIS 39 N -3.22 0.27 0.28 0.56 3.76 -1.26 -4.84 115.29 110.85 1jxf s HIS 39 Ca 0.62 -0.82 0.07 0.00 -0.15 0.00 0.00 55.06 54.78 1jxf s HIS 39 Cb -0.15 -0.87 -0.03 0.00 1.11 0.00 0.00 32.58 32.64 1jxf s HIS 39 CO 0.54 -0.82 0.23 0.54 -0.85 0.00 0.00 174.74 174.37 1jxf s ASN 40 N 2.12 5.45 -0.28 1.40 2.20 -1.23 -4.09 114.94 120.51 1jxf s ASN 40 Ca 0.09 -0.34 -0.02 0.00 -0.94 0.00 0.00 52.86 51.65 1jxf s ASN 40 Cb -0.16 -1.25 0.03 0.00 -2.00 0.00 0.00 41.25 37.87 1jxf s ASN 40 CO -0.36 -0.15 -0.02 -0.63 -2.94 0.00 0.00 177.10 173.00 1jxf s ILE 41 N -2.19 3.05 -0.33 0.54 1.09 0.07 -4.36 121.20 119.07 1jxf s ILE 41 Ca 0.36 -1.14 0.04 0.00 -1.10 0.00 0.00 60.65 58.81 1jxf s ILE 41 Cb -0.07 -2.64 0.09 0.00 -1.06 0.00 0.00 42.46 38.78 1jxf s ILE 41 CO 0.26 0.05 0.03 0.68 -0.10 0.00 0.00 174.94 175.86 1jxf s VAL 42 N 1.32 2.22 -0.79 2.92 -7.23 -1.16 0.42 120.40 118.10 1jxf s VAL 42 Ca -0.02 -2.21 -0.26 0.00 -1.81 0.00 0.00 61.98 57.68 1jxf s VAL 42 Cb -0.18 -2.59 0.04 0.00 0.56 0.00 0.00 36.38 34.20 1jxf s VAL 42 CO -0.02 -0.51 1.31 -0.36 -0.31 0.00 0.00 175.10 175.20 1jxf s PHE 43 N 0.95 2.34 -0.60 2.82 0.08 -1.26 -3.12 117.98 119.20 1jxf s PHE 43 Ca 0.08 -0.22 -0.27 0.00 0.12 0.00 0.00 56.93 56.63 1jxf s PHE 43 Cb -0.19 -4.63 0.00 0.00 -0.57 0.00 0.00 43.02 37.63 1jxf s PHE 43 CO -0.08 -2.04 1.54 0.00 -0.10 0.00 0.00 175.22 174.54 1jxf s ALA 44 N 5.54 2.61 -0.96 5.36 0.00 -0.15 -4.64 121.76 129.52 1jxf s ALA 44 Ca 0.37 -0.76 -0.24 0.00 0.00 0.00 0.00 51.96 51.32 1jxf s ALA 44 Cb -0.07 -4.19 -0.24 0.00 0.00 0.00 0.00 23.12 18.62 1jxf s ALA 44 CO 0.10 -3.28 2.47 0.00 0.00 0.00 0.00 175.76 175.04 1jxf n ALA 45 N 10.52 0.50 -3.57 0.00 0.00 -1.26 -4.36 120.51 122.34 1jxf n ALA 45 Ca 0.13 -0.41 -0.27 0.00 0.00 0.00 0.00 53.44 52.90 1jxf n ALA 45 Cb 0.50 -2.22 -0.10 0.00 0.00 0.00 0.00 19.45 17.63 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 8.86 2.33 0.00 0.00 -0.08 -1.26 -4.74 116.55 121.65 1jxf n ASP 46 Ca 0.64 -3.09 0.00 0.00 -1.51 0.00 0.00 54.79 50.84 1jxf n ASP 46 Cb 0.06 -0.68 0.00 0.00 2.34 0.00 0.00 41.12 42.84 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 1.66 0.93 3.86 0.27 0.00 -1.26 -4.74 105.19 105.90 1jxf n GLY 47 Ca 0.25 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.01 0.00 -2.47 1.61 3.14 -1.26 -4.81 118.33 114.53 1jxf n VAL 48 Ca 0.00 -1.90 -0.41 0.00 -2.96 0.00 0.00 64.34 59.07 1jxf n VAL 48 Cb 0.00 -0.53 -0.04 0.00 -1.06 0.00 0.00 33.84 32.21 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 -4.56 7.22 0.10 6.55 1.01 -1.26 -4.86 116.67 120.86 1jxf s ASP 49 Ca 0.60 2.15 -0.25 0.00 0.71 0.00 0.00 52.55 55.76 1jxf s ASP 49 Cb -0.05 -2.61 -0.12 0.00 1.01 0.00 0.00 42.92 41.15 1jxf s ASP 49 CO 0.38 -0.25 1.70 0.00 0.21 0.00 0.00 175.17 177.21 1jxf h ALA 50 N 4.97 -0.22 -0.61 5.23 0.00 -1.97 0.17 119.26 126.83 1jxf h ALA 50 Ca -0.45 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 54.55 1jxf h ALA 50 Cb 1.21 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 19.07 1jxf h ALA 50 CO 0.72 -0.64 0.07 -0.44 0.00 0.00 0.00 179.25 178.96 1jxf h ASP 51 N -0.25 -0.12 0.02 0.00 3.32 -1.98 1.31 116.42 118.72 1jxf h ASP 51 Ca 0.00 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1jxf h ASP 51 Cb 0.24 0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 1jxf h ASP 51 CO -0.03 -0.05 -0.02 0.74 -1.72 0.00 0.00 179.24 178.16 1jxf h THR 52 N 0.19 0.95 0.00 0.35 2.02 -1.80 -0.49 112.91 114.12 1jxf h THR 52 Ca 0.32 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.50 1jxf h THR 52 Cb 0.50 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1jxf h THR 52 CO -0.46 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.43 1jxf h ALA 53 N 0.93 1.00 -0.26 6.16 0.00 0.79 0.78 119.26 128.67 1jxf h ALA 53 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1jxf h ALA 53 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1jxf h ALA 53 CO -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 179.25 179.13 1jxf h ALA 54 N 2.12 0.36 0.14 0.00 0.00 0.33 -1.41 119.26 120.80 1jxf h ALA 54 Ca 0.00 -0.30 -0.22 0.00 0.00 0.00 0.00 54.91 54.39 1jxf h ALA 54 Cb 0.32 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.04 1jxf h ALA 54 CO 0.00 0.21 -1.00 -0.22 0.00 0.00 0.00 179.25 178.24 1jxf h LYS 55 N 0.26 0.29 0.00 0.00 3.64 -0.94 -3.20 116.57 116.63 1jxf h LYS 55 Ca 0.06 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1jxf h LYS 55 Cb 0.61 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1jxf h LYS 55 CO 0.03 1.24 0.16 -0.07 -2.27 0.00 0.00 179.45 178.55 1jxf h LEU 56 N -0.34 0.00 -9.98 5.20 3.38 -0.91 -3.41 115.31 109.26 1jxf h LEU 56 Ca -0.19 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.25 1jxf h LEU 56 Cb 1.69 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.41 1jxf h LEU 56 CO 0.13 0.00 -0.09 -0.94 0.09 0.00 0.00 178.44 177.63 1jxf s SER 57 N -4.46 6.65 -0.29 -0.43 1.04 -0.53 -4.72 113.70 110.95 1jxf s SER 57 Ca -0.03 0.97 -0.01 0.00 0.48 0.00 0.00 55.95 57.35 1jxf s SER 57 Cb 0.09 -2.25 0.12 0.00 0.10 0.00 0.00 66.02 64.09 1jxf s SER 57 CO 0.28 -0.08 0.24 -1.38 0.98 0.00 0.00 173.24 173.29 1jxf s HIS 58 N -1.82 -0.19 -0.76 5.02 -3.43 0.17 -4.94 115.29 109.34 1jxf s HIS 58 Ca 0.48 -0.44 -0.08 0.00 -0.80 0.00 0.00 55.06 54.22 1jxf s HIS 58 Cb -0.11 -0.61 -0.17 0.00 -1.43 0.00 0.00 32.58 30.25 1jxf s HIS 58 CO 0.21 -0.89 3.29 1.63 -2.00 0.00 0.00 174.74 176.97 1jxf n LYS 59 N 5.24 2.82 -3.05 -0.38 5.02 -1.22 -0.75 118.16 125.84 1jxf n LYS 59 Ca -0.03 -1.62 -0.40 0.00 -2.02 0.00 0.00 58.31 54.25 1jxf n LYS 59 Cb 0.45 -2.37 -0.05 0.00 -0.02 0.00 0.00 35.03 33.04 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 2.01 2.45 -0.14 0.72 0.00 -1.26 -4.93 107.32 106.17 1jxf s GLY 60 Ca 0.68 0.04 -0.29 0.00 0.00 0.00 0.00 44.72 45.15 1jxf s GLY 60 CO -0.03 1.25 1.03 1.08 0.00 0.00 0.00 173.10 176.42 1jxf s LEU 61 N 1.15 4.20 -0.64 0.66 2.01 -1.26 -3.57 118.68 121.23 1jxf s LEU 61 Ca 0.36 1.50 -0.22 0.00 0.01 0.00 0.00 54.13 55.78 1jxf s LEU 61 Cb -0.17 -3.55 0.07 0.00 0.01 0.00 0.00 46.19 42.55 1jxf s LEU 61 CO 0.16 -0.53 0.91 0.00 1.01 0.00 0.00 176.35 177.90 1jxf s ALA 62 N 2.41 3.17 0.00 4.21 0.00 -1.26 -4.72 121.76 125.57 1jxf s ALA 62 Ca 0.47 -1.86 0.00 0.00 0.00 0.00 0.00 51.96 50.57 1jxf s ALA 62 Cb -0.18 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.16 1jxf s ALA 62 CO 0.14 -2.66 0.00 1.19 0.00 0.00 0.00 175.76 174.43 1jxf n PHE 63 N 7.43 0.00 -3.19 0.00 3.01 -1.26 -4.16 117.46 119.28 1jxf n PHE 63 Ca -0.05 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.01 1jxf n PHE 63 Cb 0.45 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.85 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 -1.95 3.56 -0.53 4.37 0.00 -1.26 -4.98 121.76 120.97 1jxf s ALA 64 Ca 0.00 -0.66 -0.26 0.00 0.00 0.00 0.00 51.96 51.04 1jxf s ALA 64 Cb 0.00 -2.97 -0.07 0.00 0.00 0.00 0.00 23.12 20.07 1jxf s ALA 64 CO 0.00 -0.91 2.38 0.00 0.00 0.00 0.00 175.76 177.24 1jxf s ALA 65 N 2.42 1.56 0.00 0.00 0.00 -1.26 -3.16 121.76 121.32 1jxf s ALA 65 Ca 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1jxf s ALA 65 Cb -0.15 -4.37 0.00 0.00 0.00 0.00 0.00 23.12 18.60 1jxf s ALA 65 CO 0.10 -4.59 0.00 0.41 0.00 0.00 0.00 175.76 171.68 1jxf n GLY 66 N 6.07 0.29 3.00 0.00 0.00 -1.26 -5.14 105.19 108.15 1jxf n GLY 66 Ca 0.37 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.08 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 1.94 -0.07 1.61 2.02 -1.19 -5.09 118.70 117.93 1jxf s GLU 67 Ca 0.00 -1.07 0.02 0.00 0.02 0.00 0.00 54.97 53.94 1jxf s GLU 67 Cb 0.00 -2.65 -0.03 0.00 0.10 0.00 0.00 34.13 31.55 1jxf s GLU 67 CO 0.00 -0.54 -0.10 -1.54 0.02 0.00 0.00 175.26 173.10 1jxf s SER 68 N 1.30 4.37 0.50 -0.19 1.04 -1.26 -3.59 113.70 115.87 1jxf s SER 68 Ca -0.06 -0.11 0.07 0.00 0.48 0.00 0.00 55.95 56.34 1jxf s SER 68 Cb -0.19 -1.09 0.03 0.00 0.10 0.00 0.00 66.02 64.88 1jxf s SER 68 CO -0.06 0.34 0.49 -0.36 0.98 0.00 0.00 173.24 174.62 1jxf s PHE 69 N -0.67 2.00 0.02 5.02 0.08 -1.20 -4.86 117.98 118.37 1jxf s PHE 69 Ca 0.10 -0.68 -0.07 0.00 0.12 0.00 0.00 56.93 56.40 1jxf s PHE 69 Cb -0.11 -2.09 -0.00 0.00 -0.57 0.00 0.00 43.02 40.25 1jxf s PHE 69 CO 0.01 -0.50 0.14 0.99 -0.10 0.00 0.00 175.22 175.76 1jxf s THR 70 N -2.63 0.10 -0.03 0.64 2.01 -1.26 -0.70 115.64 113.77 1jxf s THR 70 Ca 0.46 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.63 1jxf s THR 70 Cb -0.04 -0.62 0.02 0.00 0.01 0.00 0.00 72.50 71.87 1jxf s THR 70 CO 0.28 -0.45 0.06 -0.55 -0.69 0.00 0.00 174.62 173.27 1jxf s SER 71 N -1.67 -0.02 -0.26 3.53 0.15 -1.04 -4.93 113.70 109.46 1jxf s SER 71 Ca -0.11 0.11 -0.28 0.00 0.70 0.00 0.00 55.95 56.37 1jxf s SER 71 Cb -0.05 0.06 0.01 0.00 -1.71 0.00 0.00 66.02 64.33 1jxf s SER 71 CO -0.01 -0.07 1.01 -0.89 1.20 0.00 0.00 173.24 174.48 1jxf s THR 72 N 0.50 4.66 -0.76 6.45 2.01 -1.26 -1.60 115.64 125.65 1jxf s THR 72 Ca -0.04 1.84 -0.00 0.00 0.31 0.00 0.00 61.69 63.79 1jxf s THR 72 Cb -0.06 -4.30 0.37 0.00 0.01 0.00 0.00 72.50 68.51 1jxf s THR 72 CO -0.02 -0.25 1.82 0.49 -0.69 0.00 0.00 174.62 175.97 1jxf n PHE 73 N 6.42 3.08 0.01 4.92 3.01 -0.35 -4.74 117.46 129.81 1jxf n PHE 73 Ca 0.11 -2.51 -0.00 0.00 1.01 0.00 0.00 57.45 56.05 1jxf n PHE 73 Cb 0.47 -0.94 -0.00 0.00 -0.01 0.00 0.00 39.48 39.00 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 2.14 0.00 -2.35 4.37 1.35 -1.82 -0.71 112.91 115.87 1jxf h THR 74 Ca 0.51 -0.05 -0.54 0.00 -0.55 0.00 0.00 66.41 65.78 1jxf h THR 74 Cb 0.23 0.00 0.02 0.00 -1.73 0.00 0.00 68.15 66.66 1jxf h THR 74 CO 1.30 0.00 1.25 -1.61 -0.25 0.00 0.00 175.52 176.21 1jxf s GLU 75 N -1.70 4.06 -0.38 4.72 0.41 -1.26 -3.60 118.70 120.96 1jxf s GLU 75 Ca -0.00 2.54 -0.29 0.00 -0.41 0.00 0.00 54.97 56.81 1jxf s GLU 75 Cb 0.00 -4.17 0.01 0.00 -1.78 0.00 0.00 34.13 28.19 1jxf s GLU 75 CO 0.01 -1.04 1.39 -1.25 -0.49 0.00 0.00 175.26 173.88 1jxf s PRO 76 N 4.59 3.66 0.00 0.39 0.04 -1.26 -4.86 135.00 137.56 1jxf s PRO 76 Ca 0.89 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1jxf s PRO 76 Cb -0.41 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.13 1jxf s PRO 76 CO 0.40 -1.46 0.00 0.41 0.04 0.00 0.00 177.00 176.40 1jxf n GLY 77 N 4.89 3.98 2.66 0.56 0.00 -1.24 -4.97 105.19 111.07 1jxf n GLY 77 Ca 0.16 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 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 0.21 -0.20 -0.02 2.61 2.01 -1.26 -2.55 115.64 116.44 1jxf s THR 78 Ca 0.00 -1.06 -0.18 0.00 0.31 0.00 0.00 61.69 60.76 1jxf s THR 78 Cb 0.00 -0.88 -0.05 0.00 0.01 0.00 0.00 72.50 71.57 1jxf s THR 78 CO 0.00 -0.68 0.51 -0.31 -0.69 0.00 0.00 174.62 173.45 1jxf s TYR 79 N 1.59 3.67 -0.27 4.92 2.02 -1.16 -4.15 117.35 123.97 1jxf s TYR 79 Ca 0.15 1.07 -0.01 0.00 -0.37 0.00 0.00 57.07 57.92 1jxf s TYR 79 Cb -0.17 -2.50 0.04 0.00 -0.40 0.00 0.00 41.96 38.93 1jxf s TYR 79 CO -0.12 0.41 -0.06 0.99 -1.57 0.00 0.00 175.55 175.21 1jxf s THR 80 N -0.32 2.74 -0.00 -0.71 2.01 -1.26 -0.40 115.64 117.70 1jxf s THR 80 Ca 0.27 -1.26 0.05 0.00 0.31 0.00 0.00 61.69 61.06 1jxf s THR 80 Cb -0.17 -2.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.82 1jxf s THR 80 CO 0.15 0.06 -0.15 -0.72 -0.69 0.00 0.00 174.62 173.27 1jxf s TYR 81 N 1.25 2.66 0.35 4.92 1.13 -0.81 -0.98 117.35 125.89 1jxf s TYR 81 Ca -0.03 -0.19 0.02 0.00 -1.41 0.00 0.00 57.07 55.46 1jxf s TYR 81 Cb -0.18 -1.55 -0.01 0.00 -1.10 0.00 0.00 41.96 39.12 1jxf s TYR 81 CO -0.04 0.24 0.43 2.48 -2.51 0.00 0.00 175.55 176.15 1jxf n TYR 82 N 1.87 -1.24 -2.79 -3.49 0.18 -1.18 -0.79 117.16 109.72 1jxf n TYR 82 Ca -0.16 -2.60 -0.30 0.00 1.88 0.00 0.00 57.90 56.72 1jxf n TYR 82 Cb 0.52 0.47 -0.02 0.00 -0.38 0.00 0.00 39.34 39.93 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 1.02 0.14 0.00 0.00 5.08 -1.93 -1.82 114.58 117.08 1jxf h GLU 84 Ca -0.47 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 57.65 1jxf h GLU 84 Cb 1.19 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1jxf h GLU 84 CO 0.63 1.12 0.00 -0.35 -1.00 0.00 0.00 179.01 179.41 1jxf n PRO 85 N -4.35 0.75 -2.76 2.33 -0.04 -1.26 -4.21 135.00 125.47 1jxf n PRO 85 Ca -0.14 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.31 1jxf n PRO 85 Cb 0.66 -1.48 0.02 0.00 -0.04 0.00 0.00 33.50 32.66 1jxf n PRO 85 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1jxf s HIS 86 N -2.00 -0.68 -1.76 0.54 -3.43 -1.23 -5.00 115.29 101.73 1jxf s HIS 86 Ca 0.34 -0.12 0.20 0.00 -0.80 0.00 0.00 55.06 54.68 1jxf s HIS 86 Cb 0.16 0.13 0.62 0.00 -1.43 0.00 0.00 32.58 32.06 1jxf s HIS 86 CO 0.27 -0.51 1.52 2.89 -2.00 0.00 0.00 174.74 176.90 1jxf n ARG 87 N 3.08 2.86 -1.73 -0.38 1.85 -0.68 -3.26 116.66 118.40 1jxf n ARG 87 Ca 0.11 -2.51 -0.01 0.00 -1.00 0.00 0.00 57.85 54.44 1jxf n ARG 87 Cb 0.62 -1.62 0.04 0.00 -1.05 0.00 0.00 32.46 30.45 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 1.44 0.21 1.10 2.89 0.00 -1.26 -4.86 105.19 104.71 1jxf n GLY 88 Ca 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.52 3.80 -0.11 4.61 0.00 -1.26 -4.87 120.51 122.16 1jxf n ALA 89 Ca -0.08 -3.30 0.00 0.00 0.00 0.00 0.00 53.44 50.06 1jxf n ALA 89 Cb 0.61 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.84 0.81 2.95 0.00 0.00 -1.26 -5.04 105.19 101.81 1jxf n GLY 90 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 1jxf n GLY 90 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jxf s MET 91 N -0.89 1.31 0.20 1.61 1.00 -1.26 -4.53 119.30 116.75 1jxf s MET 91 Ca 0.00 -1.71 -0.07 0.00 0.00 0.00 0.00 55.69 53.90 1jxf s MET 91 Cb 0.00 -2.93 -0.02 0.00 0.00 0.00 0.00 34.83 31.88 1jxf s MET 91 CO 0.00 -0.96 0.29 0.08 0.00 0.00 0.00 175.02 174.43 1jxf s VAL 92 N 1.03 0.02 -0.15 -6.03 1.01 -1.26 -4.00 120.40 111.02 1jxf s VAL 92 Ca 0.11 -1.63 -0.10 0.00 0.00 0.00 0.00 61.98 60.36 1jxf s VAL 92 Cb -0.19 -2.20 0.05 0.00 0.00 0.00 0.00 36.38 34.05 1jxf s VAL 92 CO -0.12 -0.11 0.37 -0.83 0.00 0.00 0.00 175.10 174.42 1jxf s GLY 93 N -3.05 -0.29 -0.19 4.51 0.00 0.03 -4.50 107.32 103.84 1jxf s GLY 93 Ca 0.27 1.33 -0.01 0.00 0.00 0.00 0.00 44.72 46.31 1jxf s GLY 93 CO 0.07 1.42 -0.14 1.25 0.00 0.00 0.00 173.10 175.71 1jxf s LYS 94 N 1.08 3.16 0.02 2.90 2.20 -0.70 -1.92 119.74 126.49 1jxf s LYS 94 Ca -0.07 -0.75 0.01 0.00 -0.36 0.00 0.00 55.97 54.80 1jxf s LYS 94 Cb -0.07 -2.72 -0.04 0.00 -1.51 0.00 0.00 37.83 33.49 1jxf s LYS 94 CO -0.09 -0.16 0.07 0.08 -0.36 0.00 0.00 175.35 174.90 1jxf s VAL 95 N 1.25 4.60 -0.28 4.02 1.01 0.47 -2.92 120.40 128.55 1jxf s VAL 95 Ca 0.03 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 1jxf s VAL 95 Cb -0.14 -3.13 0.12 0.00 0.00 0.00 0.00 36.38 33.23 1jxf s VAL 95 CO -0.07 0.29 0.25 -0.69 0.00 0.00 0.00 175.10 174.87 1jxf s VAL 96 N -1.24 -0.32 0.08 2.92 1.01 -1.06 -2.98 120.40 118.81 1jxf s VAL 96 Ca 0.24 -0.49 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 1jxf s VAL 96 Cb -0.12 -0.94 -0.06 0.00 0.00 0.00 0.00 36.38 35.26 1jxf s VAL 96 CO 0.16 -0.48 0.42 -0.69 0.00 0.00 0.00 175.10 174.50 1jxf s VAL 97 N 2.30 5.06 0.00 2.92 1.01 -1.06 -3.71 120.40 126.92 1jxf s VAL 97 Ca 0.09 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1jxf s VAL 97 Cb -0.15 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1jxf s VAL 97 CO -0.31 0.31 0.24 -0.90 0.00 0.00 0.00 175.10 174.44