#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 6.99 0.32 0.00 2.20 -1.26 -4.40 114.94 118.80 1jxf s ASN 2 Ca 0.00 1.81 0.07 0.00 -0.94 0.00 0.00 52.86 53.80 1jxf s ASN 2 Cb 0.00 -2.55 -0.06 0.00 -2.00 0.00 0.00 41.25 36.63 1jxf s ASN 2 CO 0.00 -0.65 -0.04 0.00 -2.94 0.00 0.00 177.10 173.47 1jxf s ALA 3 N 2.65 2.62 -0.04 3.54 0.00 -1.23 -5.06 121.76 124.24 1jxf s ALA 3 Ca 0.56 -2.04 -0.04 0.00 0.00 0.00 0.00 51.96 50.45 1jxf s ALA 3 Cb -0.24 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.09 1jxf s ALA 3 CO 0.20 -0.08 0.11 0.99 0.00 0.00 0.00 175.76 176.98 1jxf s THR 4 N -2.92 0.02 -0.07 0.00 2.01 -1.26 -1.47 115.64 111.95 1jxf s THR 4 Ca 0.32 -0.13 -0.01 0.00 0.31 0.00 0.00 61.69 62.18 1jxf s THR 4 Cb 0.05 -0.21 0.03 0.00 0.01 0.00 0.00 72.50 72.38 1jxf s THR 4 CO 0.14 -0.07 0.01 -0.69 -0.69 0.00 0.00 174.62 173.32 1jxf s VAL 5 N -0.19 0.32 -0.14 3.82 1.01 -0.24 -4.53 120.40 120.45 1jxf s VAL 5 Ca -0.03 0.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.92 1jxf s VAL 5 Cb -0.02 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 1jxf s VAL 5 CO 0.00 0.23 0.43 -0.75 0.00 0.00 0.00 175.10 175.02 1jxf s LYS 6 N 1.99 4.30 0.00 2.72 2.20 -1.02 -2.77 119.74 127.16 1jxf s LYS 6 Ca 0.05 0.35 0.00 0.00 -0.36 0.00 0.00 55.97 56.01 1jxf s LYS 6 Cb -0.12 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 1jxf s LYS 6 CO -0.05 0.14 0.83 -1.33 -0.36 0.00 0.00 175.35 174.58 1jxf n MET 7 N 3.80 0.00 0.00 4.03 2.81 -0.91 -3.33 117.12 123.52 1jxf n MET 7 Ca -0.08 0.72 0.00 0.00 -1.81 0.00 0.00 57.70 56.53 1jxf n MET 7 Cb 0.52 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.69 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 -0.96 0.71 3.40 3.03 0.00 -1.23 -3.04 105.19 107.10 1jxf n GLY 8 Ca 0.00 -1.83 -0.28 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.00 3.36 -1.12 1.61 0.01 -1.10 -4.53 113.70 110.93 1jxf s SER 9 Ca 0.00 -0.81 -0.14 0.00 1.31 0.00 0.00 55.95 56.31 1jxf s SER 9 Cb 0.00 -0.24 -0.07 0.00 0.21 0.00 0.00 66.02 65.93 1jxf s SER 9 CO 0.00 0.15 2.21 -0.90 0.41 0.00 0.00 173.24 175.11 1jxf n ASP 10 N 0.58 4.39 0.00 2.44 5.68 -1.26 -3.90 116.55 124.48 1jxf n ASP 10 Ca -0.15 -2.62 0.00 0.00 -0.50 0.00 0.00 54.79 51.51 1jxf n ASP 10 Cb 0.55 -1.33 0.00 0.00 -1.14 0.00 0.00 41.12 39.20 1jxf n ASP 10 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1jxf n SER 11 N 5.75 0.00 0.00 -1.12 2.88 -1.26 -5.07 113.62 114.81 1jxf n SER 11 Ca 0.54 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 1jxf n SER 11 Cb 0.31 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 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 -0.43 0.00 3.14 0.46 0.00 -1.25 -5.07 105.19 102.04 1jxf n GLY 12 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.31 -0.66 4.61 0.00 -1.26 -4.98 121.76 119.16 1jxf s ALA 13 Ca 0.00 -0.24 -0.22 0.00 0.00 0.00 0.00 51.96 51.50 1jxf s ALA 13 Cb 0.00 0.19 0.07 0.00 0.00 0.00 0.00 23.12 23.38 1jxf s ALA 13 CO 0.00 -0.28 0.96 -0.48 0.00 0.00 0.00 175.76 175.96 1jxf s LEU 14 N -1.74 4.45 -0.05 0.00 2.34 -1.26 -2.71 118.68 119.70 1jxf s LEU 14 Ca -0.10 -1.04 -0.03 0.00 0.06 0.00 0.00 54.13 53.01 1jxf s LEU 14 Cb -0.04 -2.41 0.02 0.00 -0.56 0.00 0.00 46.19 43.20 1jxf s LEU 14 CO -0.01 -1.42 0.13 0.68 -1.06 0.00 0.00 176.35 174.67 1jxf s VAL 15 N 3.97 -0.02 -0.35 1.48 -7.23 -1.26 -4.84 120.40 112.14 1jxf s VAL 15 Ca 0.22 0.08 -0.21 0.00 -1.81 0.00 0.00 61.98 60.26 1jxf s VAL 15 Cb -0.17 -0.20 0.00 0.00 0.56 0.00 0.00 36.38 36.58 1jxf s VAL 15 CO 0.09 0.03 0.67 -0.36 -0.31 0.00 0.00 175.10 175.22 1jxf s PHE 16 N 0.56 3.16 -0.06 2.82 0.08 -1.17 -3.47 117.98 119.90 1jxf s PHE 16 Ca -0.04 0.44 -0.04 0.00 0.12 0.00 0.00 56.93 57.41 1jxf s PHE 16 Cb -0.06 -3.16 0.03 0.00 -0.57 0.00 0.00 43.02 39.26 1jxf s PHE 16 CO -0.03 -0.62 0.15 -2.00 -0.10 0.00 0.00 175.22 172.62 1jxf s GLU 17 N 2.77 0.13 0.14 0.44 2.12 -1.21 -2.10 118.70 120.99 1jxf s GLU 17 Ca 0.26 0.30 -0.30 0.00 0.36 0.00 0.00 54.97 55.59 1jxf s GLU 17 Cb -0.14 -0.06 -0.07 0.00 0.26 0.00 0.00 34.13 34.11 1jxf s GLU 17 CO 0.15 -0.10 1.13 -1.25 -0.54 0.00 0.00 175.26 174.65 1jxf s PRO 18 N 0.69 4.53 0.51 4.30 0.04 -1.26 -2.44 135.00 141.37 1jxf s PRO 18 Ca -0.05 1.74 0.22 0.00 0.04 0.00 0.00 61.00 62.95 1jxf s PRO 18 Cb -0.07 -3.30 1.32 0.00 0.04 0.00 0.00 34.50 32.49 1jxf s PRO 18 CO -0.03 -0.04 2.01 0.66 0.04 0.00 0.00 177.00 179.64 1jxf h SER 19 N 5.65 0.06 -3.85 6.66 4.64 -1.77 -3.40 113.55 121.54 1jxf h SER 19 Ca -0.43 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.49 1jxf h SER 19 Cb 1.21 -0.01 -0.30 0.00 -0.31 0.00 0.00 62.40 62.99 1jxf h SER 19 CO 0.75 0.03 -0.78 -0.89 -0.87 0.00 0.00 176.83 175.08 1jxf s THR 20 N -5.08 0.68 0.03 2.95 2.01 -1.26 -0.29 115.64 114.67 1jxf s THR 20 Ca -0.05 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 61.63 1jxf s THR 20 Cb 0.19 -0.60 -0.02 0.00 0.01 0.00 0.00 72.50 72.07 1jxf s THR 20 CO 0.73 0.21 -0.03 0.68 -0.69 0.00 0.00 174.62 175.51 1jxf s VAL 21 N 0.12 0.18 -0.11 3.82 -7.23 -1.25 -5.04 120.40 110.89 1jxf s VAL 21 Ca -0.02 -1.12 -0.03 0.00 -1.81 0.00 0.00 61.98 59.00 1jxf s VAL 21 Cb -0.07 -0.56 0.05 0.00 0.56 0.00 0.00 36.38 36.35 1jxf s VAL 21 CO 0.00 -0.60 0.07 -0.89 -0.31 0.00 0.00 175.10 173.38 1jxf s THR 22 N -1.98 -0.08 0.44 5.32 2.01 -1.26 -1.95 115.64 118.13 1jxf s THR 22 Ca -0.10 0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.03 1jxf s THR 22 Cb -0.06 -0.38 -0.01 0.00 0.01 0.00 0.00 72.50 72.06 1jxf s THR 22 CO -0.03 -0.05 0.06 2.30 -0.69 0.00 0.00 174.62 176.21 1jxf n ILE 23 N 5.28 0.00 -1.47 1.82 -5.35 -1.06 -4.83 119.36 113.76 1jxf n ILE 23 Ca -0.05 -2.24 -0.29 0.00 -0.27 0.00 0.00 62.75 59.89 1jxf n ILE 23 Cb 0.49 0.60 0.18 0.00 -1.74 0.00 0.00 39.64 39.17 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 -3.61 0.36 -0.37 6.28 1.02 -1.26 -1.63 119.74 120.53 1jxf s LYS 24 Ca 0.08 0.07 -0.16 0.00 0.02 0.00 0.00 55.97 55.98 1jxf s LYS 24 Cb 0.00 -1.77 -0.00 0.00 -0.52 0.00 0.00 37.83 35.54 1jxf s LYS 24 CO 0.06 -2.68 0.40 0.00 -0.92 0.00 0.00 175.35 172.21 1jxf s ALA 25 N -3.31 3.47 0.00 5.17 0.00 -1.24 -3.95 121.76 121.90 1jxf s ALA 25 Ca 0.68 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1jxf s ALA 25 Cb -0.12 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.09 1jxf s ALA 25 CO 0.54 -1.25 0.00 0.41 0.00 0.00 0.00 175.76 175.46 1jxf n GLY 26 N 4.99 1.59 3.77 0.00 0.00 -0.58 -4.92 105.19 110.03 1jxf n GLY 26 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 -0.55 0.37 1.61 2.56 -1.25 -4.60 118.70 116.84 1jxf s GLU 27 Ca 0.00 -0.36 0.05 0.00 0.00 0.00 0.00 54.97 54.66 1jxf s GLU 27 Cb 0.00 -1.70 -0.07 0.00 2.00 0.00 0.00 34.13 34.36 1jxf s GLU 27 CO 0.00 -3.22 0.03 -1.83 -0.56 0.00 0.00 175.26 169.68 1jxf s GLU 28 N -5.74 1.82 -0.03 4.30 1.03 -1.26 -1.11 118.70 117.72 1jxf s GLU 28 Ca 0.74 -2.02 0.01 0.00 0.03 0.00 0.00 54.97 53.73 1jxf s GLU 28 Cb -0.05 -1.28 0.02 0.00 -0.80 0.00 0.00 34.13 32.02 1jxf s GLU 28 CO 0.55 -0.12 -0.02 0.08 -1.33 0.00 0.00 175.26 174.42 1jxf s VAL 29 N -2.98 0.32 0.31 1.83 1.01 -0.89 -3.48 120.40 116.51 1jxf s VAL 29 Ca 0.35 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.34 1jxf s VAL 29 Cb 0.09 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 1jxf s VAL 29 CO 0.17 0.16 0.45 -0.75 0.00 0.00 0.00 175.10 175.13 1jxf s LYS 30 N 0.74 3.29 0.38 2.72 2.20 -0.54 -1.66 119.74 126.86 1jxf s LYS 30 Ca -0.08 -0.78 0.04 0.00 -0.36 0.00 0.00 55.97 54.78 1jxf s LYS 30 Cb -0.11 -2.81 -0.05 0.00 -1.51 0.00 0.00 37.83 33.35 1jxf s LYS 30 CO -0.01 0.19 0.06 -1.58 -0.36 0.00 0.00 175.35 173.65 1jxf s TRP 31 N -2.14 2.02 -0.05 4.03 0.51 0.14 -1.08 118.94 122.36 1jxf s TRP 31 Ca 0.40 -0.97 -0.05 0.00 -2.12 0.00 0.00 56.10 53.36 1jxf s TRP 31 Cb -0.09 -1.39 0.01 0.00 -0.81 0.00 0.00 33.47 31.19 1jxf s TRP 31 CO 0.31 0.05 0.13 0.08 -0.51 0.00 0.00 176.95 177.02 1jxf s VAL 32 N -3.12 0.00 0.27 4.03 1.01 -1.12 -4.07 120.40 117.42 1jxf s VAL 32 Ca 0.30 -0.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 1jxf s VAL 32 Cb 0.07 -0.19 -0.09 0.00 0.00 0.00 0.00 36.38 36.16 1jxf s VAL 32 CO 0.14 -0.01 1.01 0.21 0.00 0.00 0.00 175.10 176.45 1jxf s ASN 33 N 0.04 7.42 0.37 3.32 2.47 -1.20 -2.13 114.94 125.22 1jxf s ASN 33 Ca -0.00 2.06 0.06 0.00 0.42 0.00 0.00 52.86 55.39 1jxf s ASN 33 Cb -0.01 -2.61 -0.02 0.00 -1.45 0.00 0.00 41.25 37.16 1jxf s ASN 33 CO 0.00 -0.02 0.21 -3.20 -3.72 0.00 0.00 177.10 170.37 1jxf n ASN 34 N 1.18 0.33 -3.58 -4.21 2.85 -1.26 -4.80 115.26 105.77 1jxf n ASN 34 Ca -0.01 -3.16 -0.27 0.00 -0.11 0.00 0.00 54.58 51.03 1jxf n ASN 34 Cb 0.47 1.32 0.21 0.00 1.24 0.00 0.00 39.78 43.01 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 -0.78 -2.08 -2.37 1.20 4.76 -1.26 -4.66 118.16 112.96 1jxf n LYS 35 Ca 0.00 -1.71 -0.02 0.00 -2.87 0.00 0.00 58.31 53.71 1jxf n LYS 35 Cb 0.60 -1.36 0.01 0.00 -1.84 0.00 0.00 35.03 32.44 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 -4.46 -4.97 -0.35 7.99 -1.26 -4.61 117.00 109.33 1jxf n LEU 36 Ca 0.14 -0.12 -0.21 0.00 -0.01 0.00 0.00 56.01 55.81 1jxf n LEU 36 Cb 0.53 -2.19 -0.01 0.00 -0.11 0.00 0.00 43.42 41.63 1jxf n LEU 36 CO 0.37 -0.45 0.04 -0.94 -1.51 0.00 0.00 177.39 174.90 1jxf s SER 37 N -2.71 6.16 0.76 -1.43 1.04 -1.26 -4.30 113.70 111.96 1jxf s SER 37 Ca 0.06 0.02 -0.11 0.00 0.48 0.00 0.00 55.95 56.40 1jxf s SER 37 Cb -0.01 -1.62 0.05 0.00 0.10 0.00 0.00 66.02 64.54 1jxf s SER 37 CO 0.41 -0.26 1.08 -2.16 0.98 0.00 0.00 173.24 173.29 1jxf s PRO 38 N -4.12 2.37 -0.29 4.02 0.04 -1.26 -5.16 135.00 130.59 1jxf s PRO 38 Ca 0.39 0.74 -0.03 0.00 0.04 0.00 0.00 61.00 62.15 1jxf s PRO 38 Cb -0.09 -1.94 0.11 0.00 0.04 0.00 0.00 34.50 32.61 1jxf s PRO 38 CO 0.31 -1.45 0.17 -1.01 0.04 0.00 0.00 177.00 175.06 1jxf s HIS 39 N -3.12 0.15 0.51 0.56 3.76 -1.26 -4.96 115.29 110.93 1jxf s HIS 39 Ca 0.60 -0.75 0.08 0.00 -0.15 0.00 0.00 55.06 54.84 1jxf s HIS 39 Cb -0.14 -0.80 0.05 0.00 1.11 0.00 0.00 32.58 32.80 1jxf s HIS 39 CO 0.54 -0.85 0.69 1.21 -0.85 0.00 0.00 174.74 175.49 1jxf s ASN 40 N 2.12 5.35 -0.30 1.40 2.47 -1.26 -3.64 114.94 121.08 1jxf s ASN 40 Ca 0.09 -0.59 -0.01 0.00 0.42 0.00 0.00 52.86 52.77 1jxf s ASN 40 Cb -0.16 -0.22 0.13 0.00 -1.45 0.00 0.00 41.25 39.55 1jxf s ASN 40 CO -0.35 -1.08 0.25 -0.63 -3.72 0.00 0.00 177.10 171.57 1jxf s ILE 41 N -2.54 -0.28 -0.17 -5.21 1.01 -1.26 -4.25 121.20 108.50 1jxf s ILE 41 Ca 0.59 -0.64 -0.00 0.00 0.00 0.00 0.00 60.65 60.60 1jxf s ILE 41 Cb -0.08 -0.97 0.04 0.00 0.01 0.00 0.00 42.46 41.46 1jxf s ILE 41 CO 0.36 -0.57 -0.07 0.54 0.00 0.00 0.00 174.94 175.20 1jxf s VAL 42 N 2.19 1.30 0.38 2.92 0.11 -1.16 0.76 120.40 126.90 1jxf s VAL 42 Ca 0.10 -0.73 -0.26 0.00 -2.93 0.00 0.00 61.98 58.16 1jxf s VAL 42 Cb -0.15 -1.42 -0.09 0.00 -1.53 0.00 0.00 36.38 33.20 1jxf s VAL 42 CO -0.31 0.17 1.14 -0.36 -3.33 0.00 0.00 175.10 172.41 1jxf s PHE 43 N 1.55 3.17 -0.37 1.54 0.08 -1.26 -3.13 117.98 119.57 1jxf s PHE 43 Ca 0.01 1.59 -0.06 0.00 0.12 0.00 0.00 56.93 58.58 1jxf s PHE 43 Cb -0.15 -3.34 0.06 0.00 -0.57 0.00 0.00 43.02 39.02 1jxf s PHE 43 CO -0.08 -1.11 0.15 0.00 -0.10 0.00 0.00 175.22 174.08 1jxf s ALA 44 N -1.41 3.10 -0.97 5.36 0.00 0.13 -4.84 121.76 123.13 1jxf s ALA 44 Ca 0.55 -2.00 -0.23 0.00 0.00 0.00 0.00 51.96 50.28 1jxf s ALA 44 Cb -0.30 -2.35 -0.25 0.00 0.00 0.00 0.00 23.12 20.22 1jxf s ALA 44 CO 0.37 -1.50 2.49 0.00 0.00 0.00 0.00 175.76 177.12 1jxf n ALA 45 N 4.78 0.61 -3.39 0.00 0.00 -1.26 -4.23 120.51 117.02 1jxf n ALA 45 Ca -0.10 -0.53 -0.26 0.00 0.00 0.00 0.00 53.44 52.55 1jxf n ALA 45 Cb 0.43 -2.39 -0.08 0.00 0.00 0.00 0.00 19.45 17.42 1jxf n ALA 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jxf n ASP 46 N 9.26 2.65 0.00 0.00 8.00 -1.26 -4.71 116.55 130.48 1jxf n ASP 46 Ca 0.65 -3.20 0.00 0.00 0.71 0.00 0.00 54.79 52.95 1jxf n ASP 46 Cb 0.10 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 1jxf n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jxf n GLY 47 N 1.12 0.99 3.39 0.44 0.00 -1.26 -4.75 105.19 105.12 1jxf n GLY 47 Ca 0.27 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.84 0.00 -1.50 1.61 3.14 -1.26 -4.72 118.33 114.77 1jxf n VAL 48 Ca 0.00 -1.97 -0.29 0.00 -2.96 0.00 0.00 64.34 59.12 1jxf n VAL 48 Cb 0.00 -0.03 0.16 0.00 -1.06 0.00 0.00 33.84 32.92 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 -3.85 2.94 -0.09 6.55 1.01 -1.26 -4.88 116.67 117.09 1jxf s ASP 49 Ca 0.25 0.80 -0.05 0.00 0.71 0.00 0.00 52.55 54.27 1jxf s ASP 49 Cb -0.02 -1.24 -0.02 0.00 1.01 0.00 0.00 42.92 42.65 1jxf s ASP 49 CO 0.16 -2.89 -0.09 0.00 0.21 0.00 0.00 175.17 172.56 1jxf h ALA 50 N -1.74 0.00 -0.38 5.23 0.00 -1.97 -2.82 119.26 117.59 1jxf h ALA 50 Ca -0.49 -0.33 0.11 0.00 0.00 0.00 0.00 54.91 54.20 1jxf h ALA 50 Cb 1.31 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1jxf h ALA 50 CO 0.53 0.26 0.35 -0.44 0.00 0.00 0.00 179.25 179.95 1jxf h ASP 51 N -0.65 0.00 0.04 0.00 3.32 -1.98 0.71 116.42 117.87 1jxf h ASP 51 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jxf h ASP 51 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1jxf h ASP 51 CO 0.00 0.00 -0.02 0.74 -1.72 0.00 0.00 179.24 178.24 1jxf h THR 52 N 0.00 1.35 0.00 0.35 2.02 -1.97 -2.79 112.91 111.87 1jxf h THR 52 Ca 0.18 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.86 1jxf h THR 52 Cb 0.88 2.31 0.00 0.00 -1.74 0.00 0.00 68.15 69.60 1jxf h THR 52 CO -0.00 0.37 0.00 0.00 0.37 0.00 0.00 175.52 176.25 1jxf n ALA 53 N -2.49 1.80 0.07 6.16 0.00 -0.28 -1.97 120.51 123.79 1jxf n ALA 53 Ca -0.09 -0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.25 1jxf n ALA 53 Cb 0.32 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 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 2.51 -0.26 0.00 0.00 0.00 0.45 0.07 119.26 122.02 1jxf h ALA 54 Ca 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1jxf h ALA 54 Cb 0.35 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1jxf h ALA 54 CO 0.00 -0.30 -0.22 0.87 0.00 0.00 0.00 179.25 179.61 1jxf h LYS 55 N -0.97 0.00 0.00 0.00 1.57 -1.41 -0.95 116.57 114.81 1jxf h LYS 55 Ca -0.03 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 1jxf h LYS 55 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1jxf h LYS 55 CO 0.04 0.22 -0.48 -0.07 -0.57 0.00 0.00 179.45 178.59 1jxf h LEU 56 N 0.00 0.00-10.26 2.94 3.38 -1.42 -3.44 115.31 106.50 1jxf h LEU 56 Ca -0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.47 1jxf h LEU 56 Cb 0.45 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.23 1jxf h LEU 56 CO 0.03 0.48 0.14 -0.94 0.09 0.00 0.00 178.44 178.24 1jxf s SER 57 N -6.46 6.33 -0.00 -0.43 1.04 0.01 -4.71 113.70 109.48 1jxf s SER 57 Ca 0.02 1.03 0.07 0.00 0.48 0.00 0.00 55.95 57.55 1jxf s SER 57 Cb 0.09 -2.29 -0.02 0.00 0.10 0.00 0.00 66.02 63.90 1jxf s SER 57 CO 0.72 -0.55 -0.22 -1.00 0.98 0.00 0.00 173.24 173.17 1jxf s HIS 58 N -2.68 1.96 -0.51 5.02 3.76 0.23 -4.89 115.29 118.19 1jxf s HIS 58 Ca 0.49 -0.37 0.06 0.00 -0.15 0.00 0.00 55.06 55.09 1jxf s HIS 58 Cb -0.10 -1.24 0.37 0.00 1.11 0.00 0.00 32.58 32.72 1jxf s HIS 58 CO 0.42 0.00 0.99 1.63 -0.85 0.00 0.00 174.74 176.93 1jxf n LYS 59 N 2.36 3.09 0.00 1.40 5.02 -1.26 -3.70 118.16 125.07 1jxf n LYS 59 Ca -0.16 -4.59 0.00 0.00 -2.02 0.00 0.00 58.31 51.54 1jxf n LYS 59 Cb 0.53 -2.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 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 -0.29 5.33 2.51 0.72 0.00 -1.26 -5.12 105.19 107.08 1jxf n GLY 60 Ca 0.33 -1.68 -0.16 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 0.00 -3.43 0.99 4.32 -1.26 -4.69 117.00 112.93 1jxf n LEU 61 Ca 0.00 -2.46 -0.21 0.00 -0.02 0.00 0.00 56.01 53.32 1jxf n LEU 61 Cb 0.00 1.24 -0.11 0.00 -1.62 0.00 0.00 43.42 42.93 1jxf n LEU 61 CO 0.00 -0.40 -0.22 0.00 -1.22 0.00 0.00 177.39 175.55 1jxf s ALA 62 N -3.03 -0.12 0.04 -1.18 0.00 -1.24 -4.88 121.76 111.36 1jxf s ALA 62 Ca 0.29 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1jxf s ALA 62 Cb 0.01 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.42 1jxf s ALA 62 CO 0.21 -1.76 0.00 1.19 0.00 0.00 0.00 175.76 175.40 1jxf n PHE 63 N 5.13 -0.26 -2.42 0.00 3.01 -1.26 -4.08 117.46 117.58 1jxf n PHE 63 Ca -0.01 0.05 -0.43 0.00 1.01 0.00 0.00 57.45 58.07 1jxf n PHE 63 Cb 0.45 0.24 -0.02 0.00 -0.01 0.00 0.00 39.48 40.14 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 -2.00 3.41 -0.62 4.37 0.00 -1.26 -4.92 121.76 120.74 1jxf s ALA 64 Ca 0.00 0.16 -0.26 0.00 0.00 0.00 0.00 51.96 51.86 1jxf s ALA 64 Cb 0.00 -3.75 -0.05 0.00 0.00 0.00 0.00 23.12 19.32 1jxf s ALA 64 CO 0.00 -1.68 2.11 0.00 0.00 0.00 0.00 175.76 176.19 1jxf s ALA 65 N 4.26 1.80 0.00 0.00 0.00 -1.26 -2.00 121.76 124.56 1jxf s ALA 65 Ca 0.56 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.00 1jxf s ALA 65 Cb -0.18 -4.37 0.00 0.00 0.00 0.00 0.00 23.12 18.57 1jxf s ALA 65 CO 0.22 -4.37 0.00 0.41 0.00 0.00 0.00 175.76 172.02 1jxf n GLY 66 N 6.02 0.44 3.67 0.00 0.00 -1.26 -5.08 105.19 108.99 1jxf n GLY 66 Ca 0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.90 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 4.29 0.21 1.61 0.41 -0.85 -4.87 118.70 119.50 1jxf s GLU 67 Ca 0.00 1.70 0.08 0.00 -0.41 0.00 0.00 54.97 56.34 1jxf s GLU 67 Cb 0.00 -3.66 -0.05 0.00 -1.78 0.00 0.00 34.13 28.64 1jxf s GLU 67 CO 0.00 -0.58 -0.15 -1.12 -0.49 0.00 0.00 175.26 172.92 1jxf s SER 68 N 1.77 2.68 0.35 -0.19 0.01 -1.26 -3.26 113.70 113.79 1jxf s SER 68 Ca 0.56 -1.01 0.07 0.00 1.31 0.00 0.00 55.95 56.89 1jxf s SER 68 Cb -0.24 -0.15 -0.07 0.00 0.21 0.00 0.00 66.02 65.77 1jxf s SER 68 CO 0.19 -0.14 -0.04 -0.36 0.41 0.00 0.00 173.24 173.30 1jxf s PHE 69 N -2.85 2.29 0.02 2.43 0.08 -1.26 -4.91 117.98 113.79 1jxf s PHE 69 Ca 0.23 -0.65 -0.00 0.00 0.12 0.00 0.00 56.93 56.63 1jxf s PHE 69 Cb -0.02 -1.43 -0.02 0.00 -0.57 0.00 0.00 43.02 40.98 1jxf s PHE 69 CO 0.08 0.41 -0.02 0.99 -0.10 0.00 0.00 175.22 176.58 1jxf s THR 70 N -2.80 0.11 -0.02 0.64 2.01 -1.26 0.23 115.64 114.55 1jxf s THR 70 Ca 0.33 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.41 1jxf s THR 70 Cb 0.06 -0.31 0.03 0.00 0.01 0.00 0.00 72.50 72.28 1jxf s THR 70 CO 0.16 -0.51 0.02 -0.55 -0.69 0.00 0.00 174.62 173.05 1jxf s SER 71 N -1.50 0.06 -0.26 3.53 0.15 -0.67 -4.95 113.70 110.06 1jxf s SER 71 Ca -0.15 0.03 -0.29 0.00 0.70 0.00 0.00 55.95 56.24 1jxf s SER 71 Cb -0.09 -0.06 -0.00 0.00 -1.71 0.00 0.00 66.02 64.16 1jxf s SER 71 CO -0.01 -0.11 1.26 -0.89 1.20 0.00 0.00 173.24 174.70 1jxf s THR 72 N 0.90 4.23 -0.76 6.45 2.01 -1.26 -2.10 115.64 125.10 1jxf s THR 72 Ca -0.08 1.42 -0.02 0.00 0.31 0.00 0.00 61.69 63.32 1jxf s THR 72 Cb -0.11 -4.14 0.30 0.00 0.01 0.00 0.00 72.50 68.56 1jxf s THR 72 CO -0.02 -0.37 2.17 0.49 -0.69 0.00 0.00 174.62 176.19 1jxf n PHE 73 N 7.25 2.72 0.00 4.92 3.01 -0.26 -4.68 117.46 130.42 1jxf n PHE 73 Ca 0.14 -2.28 0.00 0.00 1.01 0.00 0.00 57.45 56.32 1jxf n PHE 73 Cb 0.46 -1.24 0.00 0.00 -0.01 0.00 0.00 39.48 38.70 1jxf n PHE 73 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1jxf n THR 74 N -0.29 0.00 -1.66 4.37 -1.04 -1.26 -1.53 114.28 112.88 1jxf n THR 74 Ca 0.53 0.76 -0.51 0.00 -2.04 0.00 0.00 64.05 62.80 1jxf n THR 74 Cb 0.31 -1.75 -0.05 0.00 -1.82 0.00 0.00 70.33 67.01 1jxf n THR 74 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1jxf n GLU 75 N -1.98 1.81 -2.30 -2.82 -0.58 -1.26 -3.67 120.64 109.83 1jxf n GLU 75 Ca 0.00 0.65 -0.40 0.00 -0.42 0.00 0.00 57.16 56.99 1jxf n GLU 75 Cb 0.00 -2.52 -0.03 0.00 -0.57 0.00 0.00 31.44 28.32 1jxf n GLU 75 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1jxf s PRO 76 N 4.32 2.93 0.00 3.49 0.04 -1.26 -4.80 135.00 139.72 1jxf s PRO 76 Ca 0.96 0.20 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1jxf s PRO 76 Cb -0.79 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 29.48 1jxf s PRO 76 CO 0.54 -2.41 0.00 0.41 0.04 0.00 0.00 177.00 175.58 1jxf n GLY 77 N 5.52 3.73 3.03 0.56 0.00 -1.23 -4.97 105.19 111.83 1jxf n GLY 77 Ca 0.12 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.24 0.77 -0.05 2.61 -1.32 -1.26 -2.80 115.64 113.35 1jxf s THR 78 Ca 0.00 -0.42 -0.02 0.00 -1.21 0.00 0.00 61.69 60.05 1jxf s THR 78 Cb 0.00 -0.64 0.03 0.00 -1.51 0.00 0.00 72.50 70.38 1jxf s THR 78 CO 0.00 0.22 0.04 -0.31 -2.21 0.00 0.00 174.62 172.36 1jxf s TYR 79 N -0.23 0.24 -0.31 9.09 2.02 -1.09 -4.03 117.35 123.03 1jxf s TYR 79 Ca 0.04 0.13 -0.07 0.00 -0.37 0.00 0.00 57.07 56.80 1jxf s TYR 79 Cb -0.04 -0.56 0.02 0.00 -0.40 0.00 0.00 41.96 40.99 1jxf s TYR 79 CO -0.00 -0.22 0.09 -0.08 -1.57 0.00 0.00 175.55 173.76 1jxf s THR 80 N 2.02 3.91 -0.08 -0.71 -1.32 -1.26 -0.51 115.64 117.69 1jxf s THR 80 Ca 0.04 -0.84 -0.01 0.00 -1.21 0.00 0.00 61.69 59.67 1jxf s THR 80 Cb -0.12 -3.08 -0.03 0.00 -1.51 0.00 0.00 72.50 67.75 1jxf s THR 80 CO -0.04 -0.01 -0.03 -0.72 -2.21 0.00 0.00 174.62 171.62 1jxf s TYR 81 N 1.47 3.07 0.35 9.09 1.13 -0.23 0.21 117.35 132.44 1jxf s TYR 81 Ca 0.01 0.12 0.02 0.00 -1.41 0.00 0.00 57.07 55.81 1jxf s TYR 81 Cb -0.18 -1.76 -0.01 0.00 -1.10 0.00 0.00 41.96 38.91 1jxf s TYR 81 CO 0.03 0.41 0.41 2.48 -2.51 0.00 0.00 175.55 176.37 1jxf n TYR 82 N 2.20 -1.20 -2.70 -3.49 0.18 -1.18 0.71 117.16 111.67 1jxf n TYR 82 Ca -0.18 -2.56 -0.43 0.00 1.88 0.00 0.00 57.90 56.61 1jxf n TYR 82 Cb 0.53 0.45 -0.03 0.00 -0.38 0.00 0.00 39.34 39.92 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 8.67 0.00 -0.04 0.00 4.81 -1.91 1.51 114.58 127.63 1jxf h GLU 84 Ca -0.22 -0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.84 1jxf h GLU 84 Cb 1.07 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.46 1jxf h GLU 84 CO 1.04 0.00 -0.63 -1.00 -0.73 0.00 0.00 179.01 177.70 1jxf h PRO 85 N 0.00 0.49 -1.84 0.92 0.13 -1.95 -3.27 132.00 126.48 1jxf h PRO 85 Ca 0.41 -0.48 -0.73 0.00 -0.87 0.00 0.00 66.00 64.34 1jxf h PRO 85 Cb 0.63 0.12 -0.26 0.00 0.13 0.00 0.00 31.00 31.62 1jxf h PRO 85 CO -0.86 1.12 0.97 0.72 -0.23 0.00 0.00 178.00 179.72 1jxf n HIS 86 N -4.17 2.88 1.70 1.56 8.25 -0.02 -4.51 115.22 120.91 1jxf n HIS 86 Ca -0.10 -2.39 0.13 0.00 -0.26 0.00 0.00 57.72 55.10 1jxf n HIS 86 Cb 0.68 -1.24 0.63 0.00 1.12 0.00 0.00 29.99 31.17 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 -0.46 1.33 -2.95 -0.41 1.85 0.50 -4.05 116.66 112.46 1jxf n ARG 87 Ca 0.55 -0.49 -0.14 0.00 -1.00 0.00 0.00 57.85 56.77 1jxf n ARG 87 Cb 0.33 -1.43 0.01 0.00 -1.05 0.00 0.00 32.46 30.33 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 1.03 1.74 1.39 2.89 0.00 -1.26 -4.92 105.19 106.06 1jxf n GLY 88 Ca 0.19 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 0.87 2.01 0.00 4.61 0.00 -1.26 -5.05 120.51 121.69 1jxf n ALA 89 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1jxf n ALA 89 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 0.73 0.00 2.70 0.00 0.00 -1.26 -5.14 105.19 102.22 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 0.32 0.15 1.61 -2.45 -1.26 -4.93 119.30 112.74 1jxf s MET 91 Ca 0.00 -0.33 -0.08 0.00 -1.25 0.00 0.00 55.69 54.03 1jxf s MET 91 Cb 0.00 -0.80 -0.01 0.00 1.25 0.00 0.00 34.83 35.27 1jxf s MET 91 CO 0.00 -1.05 0.25 0.54 1.05 0.00 0.00 175.02 175.81 1jxf s VAL 92 N 2.19 0.08 0.03 10.11 0.11 -1.26 -3.44 120.40 128.22 1jxf s VAL 92 Ca 0.10 -1.40 -0.02 0.00 -2.93 0.00 0.00 61.98 57.73 1jxf s VAL 92 Cb -0.15 -1.77 -0.02 0.00 -1.53 0.00 0.00 36.38 32.90 1jxf s VAL 92 CO -0.31 -0.37 0.00 -0.83 -3.33 0.00 0.00 175.10 170.26 1jxf s GLY 93 N -2.96 0.30 0.27 6.54 0.00 0.22 -4.60 107.32 107.09 1jxf s GLY 93 Ca 0.16 -0.79 0.12 0.00 0.00 0.00 0.00 44.72 44.20 1jxf s GLY 93 CO -0.02 -0.90 -0.21 0.54 0.00 0.00 0.00 173.10 172.52 1jxf s LYS 94 N -2.61 1.65 0.00 2.90 1.02 0.60 -1.07 119.74 122.24 1jxf s LYS 94 Ca -0.05 -1.73 -0.02 0.00 0.02 0.00 0.00 55.97 54.19 1jxf s LYS 94 Cb -0.01 -1.77 -0.01 0.00 -0.52 0.00 0.00 37.83 35.52 1jxf s LYS 94 CO -0.05 0.34 0.03 0.08 -0.92 0.00 0.00 175.35 174.83 1jxf s VAL 95 N -2.38 0.06 -0.06 3.17 1.01 0.34 -3.80 120.40 118.74 1jxf s VAL 95 Ca 0.28 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 1jxf s VAL 95 Cb -0.05 -0.21 0.03 0.00 0.00 0.00 0.00 36.38 36.15 1jxf s VAL 95 CO 0.14 -0.27 0.05 -0.69 0.00 0.00 0.00 175.10 174.33 1jxf s VAL 96 N -0.82 -0.01 -0.15 2.92 1.01 -0.82 -2.69 120.40 119.84 1jxf s VAL 96 Ca -0.09 0.33 -0.03 0.00 0.00 0.00 0.00 61.98 62.19 1jxf s VAL 96 Cb -0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.04 1jxf s VAL 96 CO -0.00 0.17 -0.06 -0.69 0.00 0.00 0.00 175.10 174.52 1jxf s VAL 97 N 2.13 3.71 0.00 2.92 1.01 -1.12 -2.56 120.40 126.48 1jxf s VAL 97 Ca 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1jxf s VAL 97 Cb -0.12 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1jxf s VAL 97 CO -0.04 0.50 0.00 0.47 0.00 0.00 0.00 175.10 176.03