#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 6.90 0.34 0.00 4.22 -1.26 -4.30 114.94 120.85 1jxf s ASN 2 Ca 0.00 1.62 0.07 0.00 -2.14 0.00 0.00 52.86 52.41 1jxf s ASN 2 Cb 0.00 -2.54 -0.01 0.00 1.28 0.00 0.00 41.25 39.98 1jxf s ASN 2 CO 0.00 -0.81 0.47 0.00 -2.04 0.00 0.00 177.10 174.72 1jxf s ALA 3 N 3.63 4.25 -0.08 3.54 0.00 -1.23 -4.98 121.76 126.89 1jxf s ALA 3 Ca 0.55 -1.49 -0.06 0.00 0.00 0.00 0.00 51.96 50.96 1jxf s ALA 3 Cb -0.21 -1.65 0.03 0.00 0.00 0.00 0.00 23.12 21.29 1jxf s ALA 3 CO 0.16 -0.05 0.19 0.99 0.00 0.00 0.00 175.76 177.05 1jxf s THR 4 N -2.20 -0.02 0.02 0.00 2.01 -1.26 -1.03 115.64 113.17 1jxf s THR 4 Ca 0.46 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.54 1jxf s THR 4 Cb -0.09 -0.29 -0.02 0.00 0.01 0.00 0.00 72.50 72.11 1jxf s THR 4 CO 0.31 0.03 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.51 1jxf s VAL 5 N 0.58 0.47 0.18 3.82 1.01 -0.60 -4.42 120.40 121.43 1jxf s VAL 5 Ca -0.04 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1jxf s VAL 5 Cb -0.05 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 1jxf s VAL 5 CO -0.03 -0.19 0.22 -1.59 0.00 0.00 0.00 175.10 173.51 1jxf s LYS 6 N -1.00 3.17 -0.94 2.72 -2.85 -0.72 -0.39 119.74 119.72 1jxf s LYS 6 Ca -0.06 -0.78 0.00 0.00 -1.00 0.00 0.00 55.97 54.14 1jxf s LYS 6 Cb -0.07 -2.78 0.32 0.00 -2.06 0.00 0.00 37.83 33.24 1jxf s LYS 6 CO 0.00 0.48 1.65 -1.33 0.10 0.00 0.00 175.35 176.25 1jxf n MET 7 N -0.64 4.99 0.00 1.78 2.81 0.49 -4.00 117.12 122.56 1jxf n MET 7 Ca -0.08 -4.70 0.00 0.00 -1.81 0.00 0.00 57.70 51.11 1jxf n MET 7 Cb 0.55 -2.43 0.00 0.00 -0.71 0.00 0.00 33.22 30.63 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 -0.05 0.32 3.32 3.03 0.00 -1.07 -3.38 105.19 107.35 1jxf n GLY 8 Ca 0.43 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 1jxf n GLY 8 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jxf s SER 9 N -4.00 -0.47 -1.30 1.61 1.04 -1.11 -4.05 113.70 105.42 1jxf s SER 9 Ca 0.00 0.88 -0.13 0.00 0.48 0.00 0.00 55.95 57.19 1jxf s SER 9 Cb 0.00 0.86 -0.05 0.00 0.10 0.00 0.00 66.02 66.93 1jxf s SER 9 CO 0.00 -0.16 2.38 -0.90 0.98 0.00 0.00 173.24 175.54 1jxf n ASP 10 N 3.25 5.32 0.00 7.02 5.75 -1.26 -3.71 116.55 132.91 1jxf n ASP 10 Ca -0.16 -2.64 0.00 0.00 -0.01 0.00 0.00 54.79 51.98 1jxf n ASP 10 Cb 0.57 -1.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.22 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 5.25 0.00 0.00 -1.12 2.88 -1.26 -5.06 113.62 114.31 1jxf n SER 11 Ca 0.59 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 1jxf n SER 11 Cb 0.30 0.45 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 1jxf n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jxf n GLY 12 N -1.47 0.00 3.24 0.46 0.00 -1.24 -5.12 105.19 101.05 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 0.97 -0.34 4.61 0.00 -1.26 -5.05 121.76 120.69 1jxf s ALA 13 Ca 0.00 -1.58 0.03 0.00 0.00 0.00 0.00 51.96 50.42 1jxf s ALA 13 Cb 0.00 1.29 0.10 0.00 0.00 0.00 0.00 23.12 24.51 1jxf s ALA 13 CO 0.00 -0.61 0.07 -0.48 0.00 0.00 0.00 175.76 174.74 1jxf s LEU 14 N -3.13 4.28 -0.02 0.00 0.05 -1.26 -2.77 118.68 115.83 1jxf s LEU 14 Ca 0.35 -2.09 -0.08 0.00 0.05 0.00 0.00 54.13 52.36 1jxf s LEU 14 Cb 0.06 -1.49 0.01 0.00 -2.05 0.00 0.00 46.19 42.72 1jxf s LEU 14 CO 0.10 -0.38 0.18 0.68 -0.55 0.00 0.00 176.35 176.38 1jxf s VAL 15 N 0.99 0.06 -0.41 1.48 -7.23 -1.26 -4.75 120.40 109.28 1jxf s VAL 15 Ca 0.11 -0.46 -0.19 0.00 -1.81 0.00 0.00 61.98 59.63 1jxf s VAL 15 Cb -0.19 -0.41 0.02 0.00 0.56 0.00 0.00 36.38 36.36 1jxf s VAL 15 CO -0.11 -0.25 0.54 -0.36 -0.31 0.00 0.00 175.10 174.61 1jxf s PHE 16 N -0.93 3.13 -0.03 2.82 0.08 -1.26 -2.61 117.98 119.17 1jxf s PHE 16 Ca -0.10 -0.13 -0.01 0.00 0.12 0.00 0.00 56.93 56.81 1jxf s PHE 16 Cb -0.05 -3.08 0.02 0.00 -0.57 0.00 0.00 43.02 39.33 1jxf s PHE 16 CO 0.01 -0.74 0.05 -1.21 -0.10 0.00 0.00 175.22 173.24 1jxf s GLU 17 N 2.47 0.02 0.12 0.44 2.02 -1.26 -1.84 118.70 120.68 1jxf s GLU 17 Ca 0.18 0.16 -0.30 0.00 0.02 0.00 0.00 54.97 55.02 1jxf s GLU 17 Cb -0.15 -0.11 -0.07 0.00 0.10 0.00 0.00 34.13 33.90 1jxf s GLU 17 CO 0.16 -0.09 1.14 -1.25 0.02 0.00 0.00 175.26 175.24 1jxf s PRO 18 N 0.58 4.52 0.34 0.39 0.04 -1.26 -1.76 135.00 137.85 1jxf s PRO 18 Ca -0.05 1.74 0.04 0.00 0.04 0.00 0.00 61.00 62.77 1jxf s PRO 18 Cb -0.07 -3.31 0.66 0.00 0.04 0.00 0.00 34.50 31.82 1jxf s PRO 18 CO -0.02 -0.08 1.96 0.66 0.04 0.00 0.00 177.00 179.55 1jxf h SER 19 N 5.90 0.74 -3.24 6.66 4.64 -1.64 -3.39 113.55 123.22 1jxf h SER 19 Ca -0.43 -0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.22 1jxf h SER 19 Cb 1.21 -0.16 -0.32 0.00 -0.31 0.00 0.00 62.40 62.82 1jxf h SER 19 CO 0.76 0.49 -0.83 -0.89 -0.87 0.00 0.00 176.83 175.49 1jxf s THR 20 N -5.75 2.40 -0.02 2.95 2.01 -1.26 0.01 115.64 115.98 1jxf s THR 20 Ca -0.10 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.04 1jxf s THR 20 Cb 0.19 -1.99 0.02 0.00 0.01 0.00 0.00 72.50 70.73 1jxf s THR 20 CO 0.78 0.53 0.00 0.68 -0.69 0.00 0.00 174.62 175.92 1jxf s VAL 21 N 0.84 0.15 -0.08 3.82 -7.23 -1.20 -5.02 120.40 111.68 1jxf s VAL 21 Ca -0.06 0.08 0.01 0.00 -1.81 0.00 0.00 61.98 60.21 1jxf s VAL 21 Cb -0.15 -0.24 0.02 0.00 0.56 0.00 0.00 36.38 36.57 1jxf s VAL 21 CO -0.01 0.13 -0.10 0.28 -0.31 0.00 0.00 175.10 175.08 1jxf s THR 22 N 0.90 1.07 0.37 5.32 -1.32 -1.26 -1.10 115.64 119.62 1jxf s THR 22 Ca -0.09 -0.40 0.03 0.00 -1.21 0.00 0.00 61.69 60.02 1jxf s THR 22 Cb -0.12 -1.02 -0.01 0.00 -1.51 0.00 0.00 72.50 69.84 1jxf s THR 22 CO -0.02 0.35 0.11 2.30 -2.21 0.00 0.00 174.62 175.15 1jxf n ILE 23 N 4.19 0.00 -1.43 5.08 -5.35 -0.98 -4.79 119.36 116.08 1jxf n ILE 23 Ca -0.20 -2.07 -0.30 0.00 -0.27 0.00 0.00 62.75 59.92 1jxf n ILE 23 Cb 0.51 0.69 0.21 0.00 -1.74 0.00 0.00 39.64 39.30 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 -3.39 -0.25 -0.20 6.28 1.02 -1.26 -1.93 119.74 120.01 1jxf s LYS 24 Ca 0.15 -0.13 -0.15 0.00 0.02 0.00 0.00 55.97 55.85 1jxf s LYS 24 Cb 0.01 -1.72 -0.04 0.00 -0.52 0.00 0.00 37.83 35.56 1jxf s LYS 24 CO 0.11 -3.06 0.38 0.00 -0.92 0.00 0.00 175.35 171.86 1jxf s ALA 25 N -3.35 3.56 0.00 5.17 0.00 -1.24 -3.89 121.76 122.02 1jxf s ALA 25 Ca 0.71 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1jxf s ALA 25 Cb -0.08 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.44 1jxf s ALA 25 CO 0.55 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.47 1jxf n GLY 26 N 3.86 2.58 3.87 0.00 0.00 -0.01 -4.94 105.19 110.55 1jxf n GLY 26 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1jxf n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jxf s GLU 27 N -0.68 1.44 0.48 1.61 0.41 -1.23 -4.65 118.70 116.08 1jxf s GLU 27 Ca 0.00 0.05 0.04 0.00 -0.41 0.00 0.00 54.97 54.65 1jxf s GLU 27 Cb 0.00 -1.90 -0.02 0.00 -1.78 0.00 0.00 34.13 30.43 1jxf s GLU 27 CO 0.00 -1.95 0.10 -1.83 -0.49 0.00 0.00 175.26 171.09 1jxf s GLU 28 N -5.57 2.17 0.01 1.61 1.03 -1.26 -1.07 118.70 115.62 1jxf s GLU 28 Ca 0.65 -2.20 0.00 0.00 0.03 0.00 0.00 54.97 53.46 1jxf s GLU 28 Cb -0.10 -1.72 -0.01 0.00 -0.80 0.00 0.00 34.13 31.50 1jxf s GLU 28 CO 0.51 -0.31 -0.03 0.08 -1.33 0.00 0.00 175.26 174.18 1jxf s VAL 29 N -2.79 0.15 0.14 1.83 1.01 -0.78 -3.47 120.40 116.49 1jxf s VAL 29 Ca 0.21 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.74 1jxf s VAL 29 Cb 0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 1jxf s VAL 29 CO 0.12 -0.23 0.03 -0.75 0.00 0.00 0.00 175.10 174.27 1jxf s LYS 30 N -0.78 2.59 0.30 2.72 2.20 -0.20 -1.28 119.74 125.30 1jxf s LYS 30 Ca -0.07 -0.93 0.07 0.00 -0.36 0.00 0.00 55.97 54.68 1jxf s LYS 30 Cb -0.05 -2.51 -0.06 0.00 -1.51 0.00 0.00 37.83 33.70 1jxf s LYS 30 CO -0.00 0.50 -0.06 -1.58 -0.36 0.00 0.00 175.35 173.84 1jxf s TRP 31 N -1.56 2.09 -0.04 4.03 0.51 0.82 -1.56 118.94 123.24 1jxf s TRP 31 Ca 0.28 -0.66 -0.02 0.00 -2.12 0.00 0.00 56.10 53.58 1jxf s TRP 31 Cb -0.10 -1.21 0.02 0.00 -0.81 0.00 0.00 33.47 31.37 1jxf s TRP 31 CO 0.20 0.35 0.08 0.08 -0.51 0.00 0.00 176.95 177.15 1jxf s VAL 32 N -2.91 -0.04 0.79 4.03 1.01 0.48 -3.05 120.40 120.71 1jxf s VAL 32 Ca 0.31 0.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.30 1jxf s VAL 32 Cb 0.04 -0.14 0.06 0.00 0.00 0.00 0.00 36.38 36.34 1jxf s VAL 32 CO 0.13 0.05 1.09 0.21 0.00 0.00 0.00 175.10 176.59 1jxf s ASN 33 N 0.75 4.58 0.00 3.32 3.84 0.22 0.18 114.94 127.83 1jxf s ASN 33 Ca -0.06 1.34 0.00 0.00 0.21 0.00 0.00 52.86 54.36 1jxf s ASN 33 Cb -0.08 -2.09 0.00 0.00 -0.55 0.00 0.00 41.25 38.53 1jxf s ASN 33 CO -0.03 -1.92 0.00 0.59 -2.79 0.00 0.00 177.10 172.95 1jxf n ASN 34 N -3.40 0.00 -3.80 -4.21 3.02 -1.22 -4.51 115.26 101.14 1jxf n ASN 34 Ca 0.07 -0.83 -0.25 0.00 -0.03 0.00 0.00 54.58 53.54 1jxf n ASN 34 Cb 0.56 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.89 1jxf n ASN 34 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1jxf n LYS 35 N 0.00 -0.90 -2.40 3.52 4.76 -1.26 -4.70 118.16 117.18 1jxf n LYS 35 Ca 0.00 -1.94 -0.04 0.00 -2.87 0.00 0.00 58.31 53.46 1jxf n LYS 35 Cb 0.00 -1.07 0.02 0.00 -1.84 0.00 0.00 35.03 32.14 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 -4.30 -4.95 -0.35 7.99 -1.26 -4.72 117.00 109.41 1jxf n LEU 36 Ca 0.15 -0.21 -0.23 0.00 -0.01 0.00 0.00 56.01 55.70 1jxf n LEU 36 Cb 0.51 -2.12 0.01 0.00 -0.11 0.00 0.00 43.42 41.72 1jxf n LEU 36 CO 0.37 -0.28 0.31 -0.94 -1.51 0.00 0.00 177.39 175.34 1jxf s SER 37 N -2.88 5.78 0.75 -1.43 1.04 -1.26 -4.40 113.70 111.29 1jxf s SER 37 Ca 0.13 0.31 -0.11 0.00 0.48 0.00 0.00 55.95 56.76 1jxf s SER 37 Cb -0.02 -1.51 0.04 0.00 0.10 0.00 0.00 66.02 64.63 1jxf s SER 37 CO 0.41 -0.77 1.08 -2.16 0.98 0.00 0.00 173.24 172.78 1jxf s PRO 38 N -4.61 2.51 -0.25 4.02 0.04 -1.26 -5.17 135.00 130.27 1jxf s PRO 38 Ca 0.49 0.80 -0.02 0.00 0.04 0.00 0.00 61.00 62.31 1jxf s PRO 38 Cb -0.10 -1.95 0.11 0.00 0.04 0.00 0.00 34.50 32.60 1jxf s PRO 38 CO 0.39 -1.36 0.25 -1.01 0.04 0.00 0.00 177.00 175.31 1jxf s HIS 39 N -3.10 -0.32 0.53 0.56 3.76 -1.26 -4.89 115.29 110.57 1jxf s HIS 39 Ca 0.59 -0.04 0.02 0.00 -0.15 0.00 0.00 55.06 55.48 1jxf s HIS 39 Cb -0.14 -0.44 0.01 0.00 1.11 0.00 0.00 32.58 33.12 1jxf s HIS 39 CO 0.55 -0.77 0.13 0.54 -0.85 0.00 0.00 174.74 174.33 1jxf s ASN 40 N 2.33 4.30 -0.30 1.40 4.22 -1.26 -4.32 114.94 121.32 1jxf s ASN 40 Ca 0.08 -1.56 -0.00 0.00 -2.14 0.00 0.00 52.86 49.24 1jxf s ASN 40 Cb -0.15 0.60 0.09 0.00 1.28 0.00 0.00 41.25 43.07 1jxf s ASN 40 CO -0.24 -0.98 0.07 -0.63 -2.04 0.00 0.00 177.10 173.27 1jxf s ILE 41 N -2.87 1.15 -0.20 0.54 1.01 -1.03 -4.68 121.20 115.12 1jxf s ILE 41 Ca 0.12 -1.45 -0.01 0.00 0.00 0.00 0.00 60.65 59.30 1jxf s ILE 41 Cb -0.00 -1.79 0.01 0.00 0.01 0.00 0.00 42.46 40.69 1jxf s ILE 41 CO 0.07 -0.55 -0.14 0.68 0.00 0.00 0.00 174.94 175.00 1jxf s VAL 42 N 1.50 2.54 -0.60 2.92 -7.23 -1.24 -1.63 120.40 116.65 1jxf s VAL 42 Ca 0.07 -0.83 -0.17 0.00 -1.81 0.00 0.00 61.98 59.24 1jxf s VAL 42 Cb -0.18 -2.13 0.13 0.00 0.56 0.00 0.00 36.38 34.76 1jxf s VAL 42 CO -0.19 0.46 0.63 -0.36 -0.31 0.00 0.00 175.10 175.33 1jxf s PHE 43 N 1.35 3.19 -0.27 2.82 0.08 -1.26 -2.55 117.98 121.33 1jxf s PHE 43 Ca 0.04 -1.22 -0.29 0.00 0.12 0.00 0.00 56.93 55.58 1jxf s PHE 43 Cb -0.14 -3.91 -0.00 0.00 -0.57 0.00 0.00 43.02 38.40 1jxf s PHE 43 CO -0.09 -1.15 1.28 0.00 -0.10 0.00 0.00 175.22 175.16 1jxf s ALA 44 N 1.95 3.43 -0.89 5.36 0.00 -0.86 -4.78 121.76 125.97 1jxf s ALA 44 Ca 0.09 0.16 -0.23 0.00 0.00 0.00 0.00 51.96 51.98 1jxf s ALA 44 Cb -0.25 -3.74 -0.22 0.00 0.00 0.00 0.00 23.12 18.91 1jxf s ALA 44 CO 0.03 -1.64 2.45 0.00 0.00 0.00 0.00 175.76 176.60 1jxf n ALA 45 N 7.39 0.63 -3.56 0.00 0.00 -1.26 -4.44 120.51 119.27 1jxf n ALA 45 Ca 0.14 -0.69 -0.27 0.00 0.00 0.00 0.00 53.44 52.62 1jxf n ALA 45 Cb 0.46 -2.59 -0.09 0.00 0.00 0.00 0.00 19.45 17.23 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 10.91 3.38 0.00 0.00 8.00 -1.26 -4.68 116.55 132.90 1jxf n ASP 46 Ca 0.59 -3.34 0.00 0.00 0.71 0.00 0.00 54.79 52.76 1jxf n ASP 46 Cb 0.20 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 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 1.23 2.66 3.92 0.44 0.00 -1.26 -4.81 105.19 107.37 1jxf n GLY 47 Ca 0.27 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.40 2.02 0.46 1.61 0.11 -1.26 -4.89 120.40 116.05 1jxf s VAL 48 Ca 0.00 -1.36 -0.21 0.00 -2.93 0.00 0.00 61.98 57.48 1jxf s VAL 48 Cb 0.00 -2.38 -0.09 0.00 -1.53 0.00 0.00 36.38 32.38 1jxf s VAL 48 CO 0.00 0.00 1.04 -1.81 -3.33 0.00 0.00 175.10 171.00 1jxf s ASP 49 N -4.31 6.48 0.20 3.54 1.11 -1.26 -4.81 116.67 117.61 1jxf s ASP 49 Ca 0.43 1.94 -0.07 0.00 0.18 0.00 0.00 52.55 55.04 1jxf s ASP 49 Cb -0.03 -2.57 0.13 0.00 1.07 0.00 0.00 42.92 41.52 1jxf s ASP 49 CO 0.26 -0.68 1.64 0.00 1.18 0.00 0.00 175.17 177.57 1jxf h ALA 50 N 1.82 0.86 0.68 5.23 0.00 -1.96 -0.45 119.26 125.43 1jxf h ALA 50 Ca -0.49 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.05 1jxf h ALA 50 Cb 1.22 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.82 1jxf h ALA 50 CO 0.60 0.65 -0.33 -0.44 0.00 0.00 0.00 179.25 179.73 1jxf h ASP 51 N 0.85 -0.77 -0.06 0.00 5.19 -1.98 1.11 116.42 120.74 1jxf h ASP 51 Ca 0.14 -0.01 0.02 0.00 -0.62 0.00 0.00 57.03 56.56 1jxf h ASP 51 Cb 0.64 0.20 -0.00 0.00 0.18 0.00 0.00 39.33 40.35 1jxf h ASP 51 CO 0.04 -0.43 0.19 0.00 -3.12 0.00 0.00 179.24 175.92 1jxf h THR 52 N -1.13 0.15 0.00 0.35 1.03 -1.95 0.56 112.91 111.92 1jxf h THR 52 Ca -0.09 0.00 -0.13 0.00 -0.01 0.00 0.00 66.41 66.17 1jxf h THR 52 Cb 0.73 0.83 -0.02 0.00 -1.07 0.00 0.00 68.15 68.61 1jxf h THR 52 CO 0.15 0.00 -1.46 0.00 -0.01 0.00 0.00 175.52 174.20 1jxf n ALA 53 N -2.09 2.10 -0.07 0.00 0.00 -0.18 -2.64 120.51 117.63 1jxf n ALA 53 Ca -0.01 -0.54 -0.10 0.00 0.00 0.00 0.00 53.44 52.79 1jxf n ALA 53 Cb 0.27 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 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 1.56 0.33 0.02 0.00 0.00 0.67 0.53 119.26 122.38 1jxf h ALA 54 Ca -0.14 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1jxf h ALA 54 Cb 1.46 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.16 1jxf h ALA 54 CO 0.03 -0.13 -0.59 0.87 0.00 0.00 0.00 179.25 179.44 1jxf h LYS 55 N 0.30 0.36 -0.11 0.00 6.56 -1.60 -3.11 116.57 118.97 1jxf h LYS 55 Ca 0.09 -0.42 0.03 0.00 -1.06 0.00 0.00 60.65 59.29 1jxf h LYS 55 Cb 0.09 0.13 -0.00 0.00 -0.57 0.00 0.00 32.23 31.87 1jxf h LYS 55 CO -0.01 1.10 0.11 -0.07 -2.06 0.00 0.00 179.45 178.52 1jxf h LEU 56 N -0.19 0.00 -9.40 2.94 -0.00 -1.41 -3.40 115.31 103.85 1jxf h LEU 56 Ca -0.08 0.00 -0.55 0.00 -0.00 0.00 0.00 57.88 57.25 1jxf h LEU 56 Cb 1.33 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.94 1jxf h LEU 56 CO 0.11 0.00 0.18 -0.94 -0.00 0.00 0.00 178.44 177.80 1jxf s SER 57 N -6.14 7.13 -0.30 -0.43 1.04 0.19 -4.78 113.70 110.40 1jxf s SER 57 Ca -0.05 1.36 -0.02 0.00 0.48 0.00 0.00 55.95 57.73 1jxf s SER 57 Cb 0.16 -2.47 0.10 0.00 0.10 0.00 0.00 66.02 63.91 1jxf s SER 57 CO 0.58 -0.14 0.10 -1.38 0.98 0.00 0.00 173.24 173.38 1jxf s HIS 58 N 0.77 1.40 -0.01 5.02 -3.43 -0.64 -4.88 115.29 113.52 1jxf s HIS 58 Ca 0.42 -1.53 -0.03 0.00 -0.80 0.00 0.00 55.06 53.12 1jxf s HIS 58 Cb -0.19 -1.53 -0.01 0.00 -1.43 0.00 0.00 32.58 29.42 1jxf s HIS 58 CO 0.22 -0.86 0.46 0.87 -2.00 0.00 0.00 174.74 173.42 1jxf h LYS 59 N 8.16 -0.09 -5.05 -0.38 1.57 -1.88 -2.73 116.57 116.17 1jxf h LYS 59 Ca -0.15 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1jxf h LYS 59 Cb 1.02 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1jxf h LYS 59 CO 0.46 -0.06 -0.65 0.41 -0.57 0.00 0.00 179.45 179.04 1jxf n GLY 60 N 0.68 0.00 3.56 3.86 0.00 -1.26 -3.46 105.19 108.56 1jxf n GLY 60 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1jxf n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jxf s LEU 61 N -0.65 3.07 -0.21 0.99 2.01 -1.26 -4.80 118.68 117.83 1jxf s LEU 61 Ca 0.00 -0.02 -0.11 0.00 0.01 0.00 0.00 54.13 54.01 1jxf s LEU 61 Cb 0.00 -2.54 -0.05 0.00 0.01 0.00 0.00 46.19 43.61 1jxf s LEU 61 CO 0.00 -3.26 0.16 0.00 1.01 0.00 0.00 176.35 174.25 1jxf s ALA 62 N 12.48 3.66 -0.26 4.21 0.00 -1.26 -4.97 121.76 135.61 1jxf s ALA 62 Ca 0.84 -0.72 0.21 0.00 0.00 0.00 0.00 51.96 52.29 1jxf s ALA 62 Cb -0.11 -2.24 0.51 0.00 0.00 0.00 0.00 23.12 21.27 1jxf s ALA 62 CO 0.09 0.04 1.12 1.19 0.00 0.00 0.00 175.76 178.19 1jxf n PHE 63 N 3.77 1.40 -4.28 0.00 3.72 -1.26 -4.29 117.46 116.53 1jxf n PHE 63 Ca -0.15 -2.15 -0.15 0.00 -0.05 0.00 0.00 57.45 54.95 1jxf n PHE 63 Cb 0.52 -0.24 -0.10 0.00 -0.94 0.00 0.00 39.48 38.72 1jxf n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jxf s ALA 64 N -3.79 1.59 -1.22 4.37 0.00 -1.26 -5.07 121.76 116.38 1jxf s ALA 64 Ca 0.29 -1.62 -0.10 0.00 0.00 0.00 0.00 51.96 50.53 1jxf s ALA 64 Cb 0.33 0.29 0.19 0.00 0.00 0.00 0.00 23.12 23.93 1jxf s ALA 64 CO -0.03 -0.18 1.61 0.00 0.00 0.00 0.00 175.76 177.15 1jxf n ALA 65 N -0.29 4.69 0.00 0.00 0.00 -1.26 -4.01 120.51 119.64 1jxf n ALA 65 Ca -0.08 -4.37 0.00 0.00 0.00 0.00 0.00 53.44 48.99 1jxf n ALA 65 Cb 0.62 -2.90 0.00 0.00 0.00 0.00 0.00 19.45 17.17 1jxf n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jxf n GLY 66 N 3.13 0.00 3.25 0.00 0.00 -1.26 -5.14 105.19 105.17 1jxf n GLY 66 Ca 0.36 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.06 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 3.08 -0.02 1.61 0.41 -1.26 -5.02 118.70 117.50 1jxf s GLU 67 Ca 0.00 -0.84 -0.00 0.00 -0.41 0.00 0.00 54.97 53.72 1jxf s GLU 67 Cb 0.00 -2.36 0.03 0.00 -1.78 0.00 0.00 34.13 30.02 1jxf s GLU 67 CO 0.00 0.20 0.04 -1.12 -0.49 0.00 0.00 175.26 173.89 1jxf s SER 68 N 0.30 0.05 0.49 -0.19 0.01 -1.26 0.71 113.70 113.81 1jxf s SER 68 Ca -0.16 0.06 0.07 0.00 1.31 0.00 0.00 55.95 57.23 1jxf s SER 68 Cb -0.17 -0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.03 1jxf s SER 68 CO 0.08 -0.13 0.42 -0.36 0.41 0.00 0.00 173.24 173.66 1jxf s PHE 69 N 1.08 2.08 0.05 2.43 0.08 -1.17 -4.86 117.98 117.67 1jxf s PHE 69 Ca -0.09 -0.68 -0.00 0.00 0.12 0.00 0.00 56.93 56.28 1jxf s PHE 69 Cb -0.13 -2.05 -0.03 0.00 -0.57 0.00 0.00 43.02 40.24 1jxf s PHE 69 CO -0.03 -0.37 -0.04 0.99 -0.10 0.00 0.00 175.22 175.67 1jxf s THR 70 N -2.64 0.27 0.03 0.64 2.01 -1.26 -0.12 115.64 114.57 1jxf s THR 70 Ca 0.43 -1.51 -0.02 0.00 0.31 0.00 0.00 61.69 60.90 1jxf s THR 70 Cb -0.02 -1.10 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 1jxf s THR 70 CO 0.26 -0.79 0.02 -0.55 -0.69 0.00 0.00 174.62 172.87 1jxf s SER 71 N -2.40 0.23 -0.47 3.53 0.15 -0.41 -4.88 113.70 109.45 1jxf s SER 71 Ca -0.00 -0.53 -0.14 0.00 0.70 0.00 0.00 55.95 55.98 1jxf s SER 71 Cb 0.01 0.16 0.09 0.00 -1.71 0.00 0.00 66.02 64.56 1jxf s SER 71 CO -0.06 -0.39 0.37 -0.89 1.20 0.00 0.00 173.24 173.47 1jxf s THR 72 N -2.02 4.91 -1.21 6.45 2.01 -1.26 -1.86 115.64 122.66 1jxf s THR 72 Ca -0.10 -1.26 -0.04 0.00 0.31 0.00 0.00 61.69 60.60 1jxf s THR 72 Cb -0.05 -4.00 0.20 0.00 0.01 0.00 0.00 72.50 68.66 1jxf s THR 72 CO -0.03 -0.62 2.14 0.49 -0.69 0.00 0.00 174.62 175.91 1jxf n PHE 73 N 5.12 2.66 0.00 4.92 3.01 -0.23 -4.69 117.46 128.25 1jxf n PHE 73 Ca -0.12 -2.72 0.00 0.00 1.01 0.00 0.00 57.45 55.62 1jxf n PHE 73 Cb 0.43 -1.59 0.00 0.00 -0.01 0.00 0.00 39.48 38.30 1jxf n PHE 73 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1jxf n THR 74 N 1.14 0.00 -1.68 4.37 -2.24 -1.26 -0.83 114.28 113.78 1jxf n THR 74 Ca 0.55 0.49 -0.45 0.00 -2.27 0.00 0.00 64.05 62.36 1jxf n THR 74 Cb 0.26 -1.46 -0.04 0.00 -2.10 0.00 0.00 70.33 66.99 1jxf n THR 74 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1jxf n GLU 75 N -2.00 2.41 -2.30 -0.78 2.13 -1.26 -3.31 120.64 115.53 1jxf n GLU 75 Ca 0.00 0.88 -0.40 0.00 0.66 0.00 0.00 57.16 58.30 1jxf n GLU 75 Cb 0.00 -2.72 -0.03 0.00 0.27 0.00 0.00 31.44 28.96 1jxf n GLU 75 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1jxf s PRO 76 N 2.58 2.97 0.00 5.31 0.04 -1.26 -4.80 135.00 139.84 1jxf s PRO 76 Ca 0.84 0.25 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1jxf s PRO 76 Cb -0.60 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 29.68 1jxf s PRO 76 CO 0.42 -2.36 0.00 0.41 0.04 0.00 0.00 177.00 175.51 1jxf n GLY 77 N 5.49 4.62 2.68 0.56 0.00 -1.22 -4.96 105.19 112.37 1jxf n GLY 77 Ca 0.12 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 45.20 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 0.45 -0.22 0.22 2.61 2.01 -1.26 -2.21 115.64 117.23 1jxf s THR 78 Ca 0.00 -1.08 -0.26 0.00 0.31 0.00 0.00 61.69 60.66 1jxf s THR 78 Cb 0.00 -0.83 -0.09 0.00 0.01 0.00 0.00 72.50 71.59 1jxf s THR 78 CO 0.00 -0.67 0.84 -0.31 -0.69 0.00 0.00 174.62 173.79 1jxf s TYR 79 N 1.50 3.86 -0.22 4.92 1.51 -1.16 -4.60 117.35 123.16 1jxf s TYR 79 Ca 0.16 1.71 0.01 0.00 -1.01 0.00 0.00 57.07 57.93 1jxf s TYR 79 Cb -0.17 -2.83 0.05 0.00 -0.11 0.00 0.00 41.96 38.90 1jxf s TYR 79 CO -0.08 0.43 -0.09 0.99 -1.11 0.00 0.00 175.55 175.69 1jxf s THR 80 N -1.28 1.68 -0.15 -0.71 2.01 -1.26 0.43 115.64 116.35 1jxf s THR 80 Ca 0.40 -1.14 0.00 0.00 0.31 0.00 0.00 61.69 61.27 1jxf s THR 80 Cb -0.22 -1.80 -0.00 0.00 0.01 0.00 0.00 72.50 70.48 1jxf s THR 80 CO 0.27 0.08 -0.15 -0.72 -0.69 0.00 0.00 174.62 173.40 1jxf s TYR 81 N 1.36 2.78 0.47 4.92 1.13 -1.14 -2.03 117.35 124.84 1jxf s TYR 81 Ca -0.03 -0.94 0.03 0.00 -1.41 0.00 0.00 57.07 54.71 1jxf s TYR 81 Cb -0.17 -1.87 -0.01 0.00 -1.10 0.00 0.00 41.96 38.80 1jxf s TYR 81 CO -0.07 -0.41 0.09 1.52 -2.51 0.00 0.00 175.55 174.17 1jxf s TYR 82 N 0.69 1.77 0.25 -3.49 -0.85 -1.06 -2.24 117.35 112.42 1jxf s TYR 82 Ca -0.07 -1.23 -0.18 0.00 -0.52 0.00 0.00 57.07 55.07 1jxf s TYR 82 Cb -0.16 -1.31 -0.08 0.00 0.38 0.00 0.00 41.96 40.79 1jxf s TYR 82 CO 0.02 -0.16 0.73 0.00 -1.52 0.00 0.00 175.55 174.62 1jxf h GLU 84 N 3.09 0.05 -0.04 0.00 5.08 -1.93 0.49 114.58 121.32 1jxf h GLU 84 Ca -0.48 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 57.68 1jxf h GLU 84 Cb 1.19 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.45 1jxf h GLU 84 CO 0.65 0.50 -0.64 -1.00 -1.00 0.00 0.00 179.01 177.52 1jxf h PRO 85 N -0.40 0.51 -1.12 2.33 0.13 -1.94 -3.21 132.00 128.30 1jxf h PRO 85 Ca 0.00 -0.49 -0.53 0.00 -0.87 0.00 0.00 66.00 64.12 1jxf h PRO 85 Cb 0.49 0.13 -0.25 0.00 0.13 0.00 0.00 31.00 31.50 1jxf h PRO 85 CO 0.00 1.13 0.68 0.72 -0.23 0.00 0.00 178.00 180.30 1jxf n HIS 86 N -4.16 2.66 -2.07 1.56 8.25 -1.25 -4.93 115.22 115.29 1jxf n HIS 86 Ca -0.10 -2.39 -0.43 0.00 -0.26 0.00 0.00 57.72 54.55 1jxf n HIS 86 Cb 0.68 -1.17 -0.03 0.00 1.12 0.00 0.00 29.99 30.60 1jxf n HIS 86 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1jxf s ARG 87 N -3.06 3.77 -1.04 -0.41 3.00 0.16 -1.86 118.95 119.52 1jxf s ARG 87 Ca 0.52 1.72 0.00 0.00 -1.00 0.00 0.00 55.73 56.97 1jxf s ARG 87 Cb 0.42 -4.06 0.00 0.00 0.00 0.00 0.00 34.95 31.31 1jxf s ARG 87 CO 0.02 -1.32 0.00 0.41 0.00 0.00 0.00 175.30 174.41 1jxf n GLY 88 N 4.72 1.13 0.07 8.12 0.00 -1.26 -4.87 105.19 113.09 1jxf n GLY 88 Ca 0.19 -0.50 -0.06 0.00 0.00 0.00 0.00 46.02 45.65 1jxf n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jxf h ALA 89 N 0.00 0.46 0.00 4.61 0.00 -1.73 -3.48 119.26 119.12 1jxf h ALA 89 Ca -0.20 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.75 1jxf h ALA 89 Cb 0.68 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1jxf h ALA 89 CO 0.29 1.24 0.00 0.41 0.00 0.00 0.00 179.25 181.19 1jxf n GLY 90 N 1.37 2.48 3.57 0.00 0.00 -1.26 -5.09 105.19 106.26 1jxf n GLY 90 Ca -0.03 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 1jxf n GLY 90 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1jxf s MET 91 N 0.00 3.16 0.18 1.61 0.00 -1.26 -4.94 119.30 118.05 1jxf s MET 91 Ca 0.00 0.32 -0.08 0.00 0.00 0.00 0.00 55.69 55.94 1jxf s MET 91 Cb 0.00 -4.18 -0.02 0.00 0.00 0.00 0.00 34.83 30.63 1jxf s MET 91 CO 0.00 -2.12 0.27 0.54 0.00 0.00 0.00 175.02 173.71 1jxf s VAL 92 N 6.50 0.05 0.13 5.16 0.11 -1.26 -4.22 120.40 126.87 1jxf s VAL 92 Ca 0.51 -1.53 0.05 0.00 -2.93 0.00 0.00 61.98 58.08 1jxf s VAL 92 Cb -0.11 -2.01 -0.04 0.00 -1.53 0.00 0.00 36.38 32.69 1jxf s VAL 92 CO 0.22 -0.23 -0.11 -0.83 -3.33 0.00 0.00 175.10 170.82 1jxf s GLY 93 N -3.01 1.02 -0.20 6.54 0.00 -0.95 -4.65 107.32 106.06 1jxf s GLY 93 Ca 0.22 -1.35 -0.04 0.00 0.00 0.00 0.00 44.72 43.55 1jxf s GLY 93 CO 0.03 -1.43 0.08 0.54 0.00 0.00 0.00 173.10 172.32 1jxf s LYS 94 N -3.15 0.30 0.49 2.90 1.02 0.10 -2.87 119.74 118.53 1jxf s LYS 94 Ca 0.11 -0.31 -0.17 0.00 0.02 0.00 0.00 55.97 55.63 1jxf s LYS 94 Cb -0.01 -1.83 -0.08 0.00 -0.52 0.00 0.00 37.83 35.39 1jxf s LYS 94 CO 0.01 -0.73 0.96 0.08 -0.92 0.00 0.00 175.35 174.75 1jxf s VAL 95 N 2.02 4.54 -0.29 3.17 1.01 0.17 -3.21 120.40 127.81 1jxf s VAL 95 Ca 0.03 1.20 -0.02 0.00 0.00 0.00 0.00 61.98 63.18 1jxf s VAL 95 Cb -0.16 -3.71 0.12 0.00 0.00 0.00 0.00 36.38 32.63 1jxf s VAL 95 CO -0.14 -0.63 0.21 -0.69 0.00 0.00 0.00 175.10 173.85 1jxf s VAL 96 N -2.55 -0.24 0.05 2.92 1.01 -0.26 -2.98 120.40 118.36 1jxf s VAL 96 Ca 0.59 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.82 1jxf s VAL 96 Cb -0.10 -0.97 -0.06 0.00 0.00 0.00 0.00 36.38 35.25 1jxf s VAL 96 CO 0.29 -0.58 0.46 -0.69 0.00 0.00 0.00 175.10 174.58 1jxf s VAL 97 N 2.23 4.96 0.00 2.92 1.01 -0.94 -2.31 120.40 128.27 1jxf s VAL 97 Ca 0.09 0.82 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1jxf s VAL 97 Cb -0.15 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1jxf s VAL 97 CO -0.34 0.46 0.33 -0.67 0.00 0.00 0.00 175.10 174.88