#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 1.13 -0.18 0.00 2.20 -1.26 -4.76 114.94 112.06 1jxf s ASN 2 Ca 0.00 -1.57 -0.29 0.00 -0.94 0.00 0.00 52.86 50.06 1jxf s ASN 2 Cb 0.00 0.61 -0.01 0.00 -2.00 0.00 0.00 41.25 39.85 1jxf s ASN 2 CO 0.00 -1.19 1.18 0.00 -2.94 0.00 0.00 177.10 174.15 1jxf s ALA 3 N -3.26 3.66 0.01 3.54 0.00 -0.04 -4.71 121.76 120.96 1jxf s ALA 3 Ca 0.34 0.36 -0.30 0.00 0.00 0.00 0.00 51.96 52.36 1jxf s ALA 3 Cb 0.01 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 1jxf s ALA 3 CO 0.22 -1.11 1.17 0.99 0.00 0.00 0.00 175.76 177.03 1jxf s THR 4 N 3.33 4.24 -0.28 0.00 2.01 -1.26 -0.62 115.64 123.07 1jxf s THR 4 Ca 0.51 1.59 -0.02 0.00 0.31 0.00 0.00 61.69 64.08 1jxf s THR 4 Cb -0.19 -4.02 0.12 0.00 0.01 0.00 0.00 72.50 68.42 1jxf s THR 4 CO 0.12 0.08 0.24 -0.69 -0.69 0.00 0.00 174.62 173.68 1jxf s VAL 5 N 1.49 -0.31 -0.08 3.82 1.01 -0.40 -4.52 120.40 121.41 1jxf s VAL 5 Ca 0.57 -0.50 -0.28 0.00 0.00 0.00 0.00 61.98 61.76 1jxf s VAL 5 Cb -0.26 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1jxf s VAL 5 CO 0.26 -0.50 0.91 -1.59 0.00 0.00 0.00 175.10 174.19 1jxf s LYS 6 N 2.29 4.43 -0.45 2.72 -2.85 0.36 -3.23 119.74 123.01 1jxf s LYS 6 Ca 0.09 1.24 -0.00 0.00 -1.00 0.00 0.00 55.97 56.29 1jxf s LYS 6 Cb -0.15 -3.51 0.38 0.00 -2.06 0.00 0.00 37.83 32.50 1jxf s LYS 6 CO -0.31 -0.19 1.93 0.00 0.10 0.00 0.00 175.35 176.88 1jxf n MET 7 N 4.56 2.17 0.00 1.78 0.00 -1.23 0.05 117.12 124.44 1jxf n MET 7 Ca 0.05 -2.40 0.00 0.00 0.00 0.00 0.00 57.70 55.35 1jxf n MET 7 Cb 0.50 -1.94 0.00 0.00 0.00 0.00 0.00 33.22 31.78 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 -0.43 1.43 3.73 3.17 0.00 -0.72 -4.48 105.19 107.88 1jxf n GLY 8 Ca 0.46 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 7.32 -1.16 1.61 1.04 -1.05 -4.80 113.70 116.66 1jxf s SER 9 Ca 0.00 1.95 -0.12 0.00 0.48 0.00 0.00 55.95 58.27 1jxf s SER 9 Cb 0.00 -2.59 -0.07 0.00 0.10 0.00 0.00 66.02 63.46 1jxf s SER 9 CO 0.00 -0.21 2.30 0.47 0.98 0.00 0.00 173.24 176.78 1jxf n ASP 10 N 2.85 5.14 0.00 7.02 8.00 -1.26 -3.73 116.55 134.56 1jxf n ASP 10 Ca 0.04 -2.56 0.00 0.00 0.71 0.00 0.00 54.79 52.98 1jxf n ASP 10 Cb 0.47 -1.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 1jxf n ASP 10 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1jxf n SER 11 N 5.12 0.00 0.00 -2.24 7.64 -1.26 -5.06 113.62 117.82 1jxf n SER 11 Ca 0.55 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.43 1jxf n SER 11 Cb 0.26 0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 -0.02 0.00 3.16 0.23 0.00 -1.24 -5.10 105.19 102.21 1jxf n GLY 12 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.10 -0.49 4.61 0.00 -1.26 -5.10 121.76 119.43 1jxf s ALA 13 Ca 0.00 -0.63 -0.11 0.00 0.00 0.00 0.00 51.96 51.22 1jxf s ALA 13 Cb 0.00 0.36 0.12 0.00 0.00 0.00 0.00 23.12 23.59 1jxf s ALA 13 CO 0.00 -0.41 0.39 -0.48 0.00 0.00 0.00 175.76 175.25 1jxf s LEU 14 N -2.54 5.80 -0.02 0.00 2.34 -1.26 -2.53 118.68 120.47 1jxf s LEU 14 Ca 0.01 -1.83 0.00 0.00 0.06 0.00 0.00 54.13 52.37 1jxf s LEU 14 Cb 0.03 -2.07 0.02 0.00 -0.56 0.00 0.00 46.19 43.61 1jxf s LEU 14 CO -0.08 -0.73 0.02 0.68 -1.06 0.00 0.00 176.35 175.18 1jxf s VAL 15 N 1.44 -0.03 -0.27 1.48 -7.23 -1.26 -4.53 120.40 110.00 1jxf s VAL 15 Ca 0.05 0.17 -0.26 0.00 -1.81 0.00 0.00 61.98 60.12 1jxf s VAL 15 Cb -0.27 -0.08 0.00 0.00 0.56 0.00 0.00 36.38 36.60 1jxf s VAL 15 CO 0.01 0.07 0.91 -0.36 -0.31 0.00 0.00 175.10 175.42 1jxf s PHE 16 N 0.84 3.26 -0.02 2.82 0.08 -1.26 -1.76 117.98 121.94 1jxf s PHE 16 Ca -0.07 1.13 0.01 0.00 0.12 0.00 0.00 56.93 58.12 1jxf s PHE 16 Cb -0.10 -3.26 0.02 0.00 -0.57 0.00 0.00 43.02 39.11 1jxf s PHE 16 CO -0.02 -0.53 -0.01 -2.00 -0.10 0.00 0.00 175.22 172.56 1jxf s GLU 17 N 3.09 0.23 0.10 0.44 2.12 0.11 -1.38 118.70 123.41 1jxf s GLU 17 Ca 0.38 0.02 -0.30 0.00 0.36 0.00 0.00 54.97 55.43 1jxf s GLU 17 Cb -0.14 -0.34 -0.06 0.00 0.26 0.00 0.00 34.13 33.84 1jxf s GLU 17 CO 0.10 -0.06 1.15 -1.25 -0.54 0.00 0.00 175.26 174.65 1jxf s PRO 18 N 0.58 4.50 0.40 4.30 0.04 -1.26 0.13 135.00 143.69 1jxf s PRO 18 Ca -0.06 1.73 0.23 0.00 0.04 0.00 0.00 61.00 62.94 1jxf s PRO 18 Cb -0.08 -3.33 1.25 0.00 0.04 0.00 0.00 34.50 32.38 1jxf s PRO 18 CO -0.01 -0.12 1.67 1.03 0.04 0.00 0.00 177.00 179.61 1jxf h SER 19 N 6.12 0.37 -3.39 6.66 0.87 -1.59 -3.30 113.55 119.29 1jxf h SER 19 Ca -0.43 0.15 -0.55 0.00 -1.23 0.00 0.00 61.79 59.73 1jxf h SER 19 Cb 1.21 0.11 -0.39 0.00 -0.44 0.00 0.00 62.40 62.89 1jxf h SER 19 CO 0.77 -0.12 -0.77 -0.89 -0.53 0.00 0.00 176.83 175.29 1jxf s THR 20 N -5.46 0.87 -0.16 2.23 2.01 -1.26 -0.39 115.64 113.48 1jxf s THR 20 Ca -0.09 -0.80 -0.05 0.00 0.31 0.00 0.00 61.69 61.06 1jxf s THR 20 Cb 0.29 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1jxf s THR 20 CO 0.80 -0.18 0.03 0.68 -0.69 0.00 0.00 174.62 175.26 1jxf s VAL 21 N 1.70 4.48 -0.31 3.82 -7.23 -1.19 -5.01 120.40 116.65 1jxf s VAL 21 Ca -0.02 -0.15 0.03 0.00 -1.81 0.00 0.00 61.98 60.02 1jxf s VAL 21 Cb -0.18 -2.98 0.09 0.00 0.56 0.00 0.00 36.38 33.87 1jxf s VAL 21 CO -0.08 0.50 0.02 -0.89 -0.31 0.00 0.00 175.10 174.34 1jxf s THR 22 N 0.12 1.98 0.52 5.32 2.01 -1.26 -1.68 115.64 122.65 1jxf s THR 22 Ca 0.03 -1.97 0.02 0.00 0.31 0.00 0.00 61.69 60.08 1jxf s THR 22 Cb -0.13 -2.37 0.02 0.00 0.01 0.00 0.00 72.50 70.03 1jxf s THR 22 CO 0.01 -0.46 0.15 2.30 -0.69 0.00 0.00 174.62 175.93 1jxf n ILE 23 N 4.41 0.00 -1.80 1.82 -5.35 -1.14 -5.00 119.36 112.30 1jxf n ILE 23 Ca -0.02 -2.32 -0.29 0.00 -0.27 0.00 0.00 62.75 59.85 1jxf n ILE 23 Cb 0.42 0.30 0.14 0.00 -1.74 0.00 0.00 39.64 38.76 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 -3.98 1.23 -0.16 6.28 3.01 -1.26 -1.54 119.74 123.31 1jxf s LYS 24 Ca 0.11 -0.03 -0.19 0.00 -1.01 0.00 0.00 55.97 54.85 1jxf s LYS 24 Cb -0.01 -1.88 -0.04 0.00 -1.01 0.00 0.00 37.83 34.90 1jxf s LYS 24 CO 0.07 -2.08 0.52 0.00 0.51 0.00 0.00 175.35 174.38 1jxf s ALA 25 N -3.59 3.51 0.00 5.17 0.00 -1.26 -3.70 121.76 121.88 1jxf s ALA 25 Ca 0.67 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1jxf s ALA 25 Cb -0.09 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.26 1jxf s ALA 25 CO 0.51 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.42 1jxf n GLY 26 N 3.60 0.52 3.90 0.00 0.00 0.11 -4.91 105.19 108.41 1jxf n GLY 26 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.48 -0.46 -4.24 1.61 2.13 -1.23 -4.78 120.64 112.18 1jxf n GLU 27 Ca 0.00 -2.55 -0.20 0.00 0.66 0.00 0.00 57.16 55.07 1jxf n GLU 27 Cb 0.00 -0.87 -0.12 0.00 0.27 0.00 0.00 31.44 30.72 1jxf n GLU 27 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1jxf s GLU 28 N -5.35 1.02 -0.17 5.31 2.56 -1.26 -0.18 118.70 120.62 1jxf s GLU 28 Ca 0.69 -1.14 0.01 0.00 0.00 0.00 0.00 54.97 54.53 1jxf s GLU 28 Cb -0.03 -1.09 0.02 0.00 2.00 0.00 0.00 34.13 35.03 1jxf s GLU 28 CO 0.47 0.24 -0.16 0.08 -0.56 0.00 0.00 175.26 175.32 1jxf s VAL 29 N -1.52 1.81 0.28 3.70 1.01 -0.99 -0.86 120.40 123.83 1jxf s VAL 29 Ca 0.05 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 61.04 1jxf s VAL 29 Cb -0.08 -1.69 -0.09 0.00 0.00 0.00 0.00 36.38 34.52 1jxf s VAL 29 CO 0.04 0.46 0.73 -0.75 0.00 0.00 0.00 175.10 175.58 1jxf s LYS 30 N 1.38 4.12 -0.14 2.72 2.36 0.21 -2.54 119.74 127.86 1jxf s LYS 30 Ca 0.04 0.77 0.01 0.00 -2.55 0.00 0.00 55.97 54.24 1jxf s LYS 30 Cb -0.13 -2.64 0.02 0.00 -1.05 0.00 0.00 37.83 34.02 1jxf s LYS 30 CO -0.11 0.27 -0.17 -1.58 1.55 0.00 0.00 175.35 175.31 1jxf s TRP 31 N -1.76 2.28 0.02 4.03 0.51 -0.24 -1.27 118.94 122.50 1jxf s TRP 31 Ca 0.49 -1.20 -0.22 0.00 -2.12 0.00 0.00 56.10 53.04 1jxf s TRP 31 Cb -0.13 -1.62 -0.05 0.00 -0.81 0.00 0.00 33.47 30.85 1jxf s TRP 31 CO 0.19 -0.62 0.67 0.08 -0.51 0.00 0.00 176.95 176.77 1jxf s VAL 32 N 1.18 4.82 -0.28 4.03 1.01 -1.20 -2.27 120.40 127.69 1jxf s VAL 32 Ca -0.01 1.42 -0.29 0.00 0.00 0.00 0.00 61.98 63.10 1jxf s VAL 32 Cb -0.14 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.23 1jxf s VAL 32 CO -0.06 0.40 1.19 0.21 0.00 0.00 0.00 175.10 176.83 1jxf s ASN 33 N -0.16 6.85 0.00 3.32 2.47 -1.23 -3.58 114.94 122.61 1jxf s ASN 33 Ca 0.34 1.23 0.00 0.00 0.42 0.00 0.00 52.86 54.85 1jxf s ASN 33 Cb -0.19 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.07 1jxf s ASN 33 CO 0.20 -0.92 0.00 -3.20 -3.72 0.00 0.00 177.10 169.45 1jxf n ASN 34 N 7.08 0.32 -4.27 -4.21 2.85 -1.26 -4.46 115.26 111.31 1jxf n ASN 34 Ca 0.13 -0.72 -0.30 0.00 -0.11 0.00 0.00 54.58 53.59 1jxf n ASN 34 Cb 0.46 0.00 0.18 0.00 1.24 0.00 0.00 39.78 41.66 1jxf n ASN 34 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1jxf s LYS 35 N -0.68 0.39 -0.08 1.20 -0.14 -1.26 -4.70 119.74 114.46 1jxf s LYS 35 Ca 0.00 -0.11 -0.00 0.00 -1.36 0.00 0.00 55.97 54.50 1jxf s LYS 35 Cb 0.00 -1.79 -0.00 0.00 -1.68 0.00 0.00 37.83 34.36 1jxf s LYS 35 CO 0.00 -2.63 0.07 1.28 -0.76 0.00 0.00 175.35 173.31 1jxf n LEU 36 N -3.99 -2.50 -4.63 3.17 4.77 -1.26 -4.92 117.00 107.64 1jxf n LEU 36 Ca 0.12 -0.01 -0.24 0.00 -0.03 0.00 0.00 56.01 55.86 1jxf n LEU 36 Cb 0.60 -1.23 -0.08 0.00 -2.33 0.00 0.00 43.42 40.37 1jxf n LEU 36 CO 0.49 -0.12 -0.33 -0.94 -1.33 0.00 0.00 177.39 175.17 1jxf s SER 37 N -2.12 4.32 0.29 -1.43 1.04 -1.26 -3.76 113.70 110.78 1jxf s SER 37 Ca 0.00 -0.81 -0.29 0.00 0.48 0.00 0.00 55.95 55.33 1jxf s SER 37 Cb -0.00 -0.67 -0.09 0.00 0.10 0.00 0.00 66.02 65.36 1jxf s SER 37 CO 0.08 -0.09 1.08 -2.16 0.98 0.00 0.00 173.24 173.12 1jxf s PRO 38 N -3.68 4.63 -0.29 4.02 0.04 -1.26 -5.09 135.00 133.37 1jxf s PRO 38 Ca 0.33 1.74 -0.04 0.00 0.04 0.00 0.00 61.00 63.07 1jxf s PRO 38 Cb -0.04 -3.14 0.10 0.00 0.04 0.00 0.00 34.50 31.46 1jxf s PRO 38 CO 0.19 0.22 0.14 -1.01 0.04 0.00 0.00 177.00 176.58 1jxf s HIS 39 N -1.21 0.27 0.58 0.56 3.76 -1.25 -4.64 115.29 113.37 1jxf s HIS 39 Ca 0.45 -0.83 0.03 0.00 -0.15 0.00 0.00 55.06 54.56 1jxf s HIS 39 Cb -0.30 -0.87 0.06 0.00 1.11 0.00 0.00 32.58 32.58 1jxf s HIS 39 CO 0.39 -0.83 0.81 0.54 -0.85 0.00 0.00 174.74 174.79 1jxf s ASN 40 N 2.12 5.05 -0.30 1.40 2.20 -1.26 -4.44 114.94 119.71 1jxf s ASN 40 Ca 0.09 -0.27 0.01 0.00 -0.94 0.00 0.00 52.86 51.76 1jxf s ASN 40 Cb -0.16 -0.46 0.07 0.00 -2.00 0.00 0.00 41.25 38.70 1jxf s ASN 40 CO -0.37 -1.31 -0.02 -0.63 -2.94 0.00 0.00 177.10 171.83 1jxf s ILE 41 N -2.80 2.52 -0.13 0.54 1.01 -0.98 -3.94 121.20 117.41 1jxf s ILE 41 Ca 0.60 -1.72 -0.03 0.00 0.00 0.00 0.00 60.65 59.50 1jxf s ILE 41 Cb -0.08 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 1jxf s ILE 41 CO 0.39 -0.21 -0.03 0.68 0.00 0.00 0.00 174.94 175.78 1jxf s VAL 42 N 1.11 4.02 -0.85 2.92 -7.23 -1.10 0.19 120.40 119.46 1jxf s VAL 42 Ca -0.03 -0.33 -0.18 0.00 -1.81 0.00 0.00 61.98 59.63 1jxf s VAL 42 Cb -0.20 -2.74 0.14 0.00 0.56 0.00 0.00 36.38 34.14 1jxf s VAL 42 CO -0.04 0.52 1.00 -0.36 -0.31 0.00 0.00 175.10 175.91 1jxf s PHE 43 N -0.00 3.17 -0.67 2.82 0.40 -1.26 -2.41 117.98 120.02 1jxf s PHE 43 Ca 0.01 -1.36 -0.27 0.00 -0.60 0.00 0.00 56.93 54.71 1jxf s PHE 43 Cb -0.13 -4.17 0.00 0.00 0.51 0.00 0.00 43.02 39.23 1jxf s PHE 43 CO 0.02 -1.40 1.60 0.00 0.70 0.00 0.00 175.22 176.14 1jxf s ALA 44 N 2.39 2.43 -0.77 5.36 0.00 0.36 -4.59 121.76 126.94 1jxf s ALA 44 Ca 0.27 -0.98 -0.26 0.00 0.00 0.00 0.00 51.96 50.98 1jxf s ALA 44 Cb -0.09 -4.29 -0.16 0.00 0.00 0.00 0.00 23.12 18.58 1jxf s ALA 44 CO -0.06 -3.63 2.50 0.00 0.00 0.00 0.00 175.76 174.58 1jxf n ALA 45 N 11.23 0.58 -2.90 0.00 0.00 -1.26 -3.25 120.51 124.90 1jxf n ALA 45 Ca 0.13 -0.72 -0.34 0.00 0.00 0.00 0.00 53.44 52.50 1jxf n ALA 45 Cb 0.51 -2.78 -0.02 0.00 0.00 0.00 0.00 19.45 17.16 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 13.12 5.71 0.00 0.00 9.92 -1.26 -4.60 116.55 139.44 1jxf n ASP 46 Ca 0.52 -3.62 0.00 0.00 -0.53 0.00 0.00 54.79 51.16 1jxf n ASP 46 Cb 0.29 -0.89 0.00 0.00 -0.64 0.00 0.00 41.12 39.88 1jxf n ASP 46 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jxf n GLY 47 N 0.16 1.92 4.00 0.44 0.00 -1.26 -4.80 105.19 105.65 1jxf n GLY 47 Ca 0.36 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.85 2.01 0.13 1.61 0.11 -1.26 -4.97 120.40 116.18 1jxf s VAL 48 Ca 0.00 -0.56 -0.30 0.00 -2.93 0.00 0.00 61.98 58.19 1jxf s VAL 48 Cb 0.00 -2.44 -0.07 0.00 -1.53 0.00 0.00 36.38 32.34 1jxf s VAL 48 CO 0.00 0.00 1.10 -1.81 -3.33 0.00 0.00 175.10 171.06 1jxf s ASP 49 N -4.82 7.26 0.10 3.54 1.01 -1.26 -4.86 116.67 117.63 1jxf s ASP 49 Ca 0.69 2.01 -0.23 0.00 0.71 0.00 0.00 52.55 55.73 1jxf s ASP 49 Cb -0.04 -2.59 -0.11 0.00 1.01 0.00 0.00 42.92 41.18 1jxf s ASP 49 CO 0.46 -0.26 1.72 0.00 0.21 0.00 0.00 175.17 177.29 1jxf h ALA 50 N 5.66 -0.04 -0.96 5.23 0.00 -1.96 0.23 119.26 127.41 1jxf h ALA 50 Ca -0.43 0.01 0.21 0.00 0.00 0.00 0.00 54.91 54.69 1jxf h ALA 50 Cb 1.21 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 1jxf h ALA 50 CO 0.74 -0.54 0.62 -0.44 0.00 0.00 0.00 179.25 179.63 1jxf h ASP 51 N -0.08 0.56 -0.20 0.00 3.32 -1.99 0.60 116.42 118.63 1jxf h ASP 51 Ca 0.02 0.07 -0.21 0.00 0.02 0.00 0.00 57.03 56.93 1jxf h ASP 51 Cb 0.11 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 39.63 1jxf h ASP 51 CO -0.06 0.20 -0.68 0.74 -1.72 0.00 0.00 179.24 177.73 1jxf h THR 52 N 0.55 1.28 0.00 0.35 2.02 -1.60 -2.51 112.91 112.99 1jxf h THR 52 Ca 0.53 -1.87 0.00 0.00 0.77 0.00 0.00 66.41 65.84 1jxf h THR 52 Cb 1.10 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 1jxf h THR 52 CO -0.27 0.60 0.00 0.00 0.37 0.00 0.00 175.52 176.22 1jxf h ALA 53 N 0.62 1.00 0.13 6.16 0.00 0.27 -1.61 119.26 125.83 1jxf h ALA 53 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 1jxf h ALA 53 Cb 1.30 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.10 1jxf h ALA 53 CO 0.14 0.00 -1.24 0.00 0.00 0.00 0.00 179.25 178.15 1jxf h ALA 54 N 2.08 0.09 0.00 0.00 0.00 0.28 0.24 119.26 121.96 1jxf h ALA 54 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1jxf h ALA 54 Cb 0.47 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1jxf h ALA 54 CO 0.00 0.95 0.00 -0.22 0.00 0.00 0.00 179.25 179.98 1jxf h LYS 55 N 0.09 0.00 -0.01 0.00 3.64 -0.99 -2.92 116.57 116.37 1jxf h LYS 55 Ca -0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1jxf h LYS 55 Cb 1.96 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.78 1jxf h LYS 55 CO 0.21 0.00 -0.28 1.28 -2.27 0.00 0.00 179.45 178.39 1jxf n LEU 56 N -2.93 1.85 -4.87 5.20 4.32 -0.66 -4.53 117.00 115.39 1jxf n LEU 56 Ca 0.04 -0.81 -0.31 0.00 -0.02 0.00 0.00 56.01 54.90 1jxf n LEU 56 Cb 0.47 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.23 1jxf n LEU 56 CO 0.32 0.34 0.36 -0.44 -1.22 0.00 0.00 177.39 176.76 1jxf s SER 57 N -1.87 6.64 -0.29 -1.43 0.01 0.85 -4.27 113.70 113.33 1jxf s SER 57 Ca 0.15 1.11 -0.04 0.00 1.31 0.00 0.00 55.95 58.49 1jxf s SER 57 Cb 0.14 -2.31 0.10 0.00 0.21 0.00 0.00 66.02 64.17 1jxf s SER 57 CO 0.38 -0.23 0.14 -1.00 0.41 0.00 0.00 173.24 172.95 1jxf s HIS 58 N -2.07 0.25 -0.63 2.43 3.76 0.50 -4.85 115.29 114.69 1jxf s HIS 58 Ca 0.51 -0.82 -0.02 0.00 -0.15 0.00 0.00 55.06 54.58 1jxf s HIS 58 Cb -0.10 -0.86 0.35 0.00 1.11 0.00 0.00 32.58 33.08 1jxf s HIS 58 CO 0.23 -0.84 2.10 1.63 -0.85 0.00 0.00 174.74 177.01 1jxf n LYS 59 N 5.25 2.52 -0.60 1.40 5.02 -1.26 -2.33 118.16 128.15 1jxf n LYS 59 Ca -0.06 -2.94 -0.03 0.00 -2.02 0.00 0.00 58.31 53.26 1jxf n LYS 59 Cb 0.42 -2.15 0.02 0.00 -0.02 0.00 0.00 35.03 33.30 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 -0.45 0.00 3.09 0.72 0.00 -1.26 -5.08 105.19 102.21 1jxf n GLY 60 Ca 0.54 -1.85 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 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 0.00 2.79 -0.29 0.99 2.01 -1.26 -4.51 118.68 118.42 1jxf s LEU 61 Ca 0.08 -1.04 -0.22 0.00 0.01 0.00 0.00 54.13 52.96 1jxf s LEU 61 Cb -0.00 -1.50 -0.01 0.00 0.01 0.00 0.00 46.19 44.69 1jxf s LEU 61 CO 0.06 -0.10 0.71 0.00 1.01 0.00 0.00 176.35 178.02 1jxf s ALA 62 N 1.20 3.56 0.00 4.21 0.00 -1.26 -4.78 121.76 124.69 1jxf s ALA 62 Ca -0.02 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1jxf s ALA 62 Cb -0.17 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1jxf s ALA 62 CO -0.09 -1.05 0.00 1.19 0.00 0.00 0.00 175.76 175.82 1jxf n PHE 63 N 5.98 -0.06 -2.99 0.00 3.01 -1.26 -3.90 117.46 118.24 1jxf n PHE 63 Ca 0.02 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.05 1jxf n PHE 63 Cb 0.48 0.37 -0.05 0.00 -0.01 0.00 0.00 39.48 40.27 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 -1.75 3.44 -0.79 4.37 0.00 -1.26 -4.97 121.76 120.80 1jxf s ALA 64 Ca 0.00 -0.69 -0.25 0.00 0.00 0.00 0.00 51.96 51.02 1jxf s ALA 64 Cb 0.00 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 1jxf s ALA 64 CO 0.00 -1.44 1.90 0.00 0.00 0.00 0.00 175.76 176.22 1jxf s ALA 65 N 3.00 1.89 0.00 0.00 0.00 -1.26 -2.88 121.76 122.50 1jxf s ALA 65 Ca 0.30 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1jxf s ALA 65 Cb -0.14 -4.46 0.00 0.00 0.00 0.00 0.00 23.12 18.53 1jxf s ALA 65 CO 0.16 -4.43 0.00 0.41 0.00 0.00 0.00 175.76 171.90 1jxf n GLY 66 N 6.40 0.37 3.70 0.00 0.00 -1.26 -5.04 105.19 109.36 1jxf n GLY 66 Ca 0.32 -0.01 -0.42 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 4.39 0.02 1.61 0.41 -1.14 -4.84 118.70 119.15 1jxf s GLU 67 Ca 0.00 1.70 0.07 0.00 -0.41 0.00 0.00 54.97 56.33 1jxf s GLU 67 Cb 0.00 -3.47 -0.02 0.00 -1.78 0.00 0.00 34.13 28.86 1jxf s GLU 67 CO 0.00 -0.36 -0.21 -1.54 -0.49 0.00 0.00 175.26 172.66 1jxf s SER 68 N 1.31 2.50 0.51 -0.19 1.04 -1.26 -3.50 113.70 114.10 1jxf s SER 68 Ca 0.57 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 56.58 1jxf s SER 68 Cb -0.26 -0.24 0.03 0.00 0.10 0.00 0.00 66.02 65.65 1jxf s SER 68 CO 0.25 0.21 0.70 -0.36 0.98 0.00 0.00 173.24 175.02 1jxf s PHE 69 N -0.66 2.71 -0.09 5.02 0.08 -0.96 -4.83 117.98 119.26 1jxf s PHE 69 Ca 0.08 -0.21 -0.04 0.00 0.12 0.00 0.00 56.93 56.88 1jxf s PHE 69 Cb -0.08 -2.59 0.05 0.00 -0.57 0.00 0.00 43.02 39.82 1jxf s PHE 69 CO 0.01 -0.74 0.18 0.95 -0.10 0.00 0.00 175.22 175.52 1jxf s THR 70 N -2.61 -0.18 -0.10 0.64 -4.23 -1.26 -1.08 115.64 106.81 1jxf s THR 70 Ca 0.57 0.26 0.01 0.00 -1.18 0.00 0.00 61.69 61.35 1jxf s THR 70 Cb -0.10 -0.31 -0.02 0.00 1.34 0.00 0.00 72.50 73.41 1jxf s THR 70 CO 0.36 0.11 -0.13 -0.44 -0.54 0.00 0.00 174.62 173.98 1jxf s SER 71 N 1.80 4.06 -0.13 3.99 0.01 -1.05 -4.94 113.70 117.43 1jxf s SER 71 Ca -0.03 -0.27 -0.29 0.00 1.31 0.00 0.00 55.95 56.66 1jxf s SER 71 Cb -0.12 -1.38 -0.02 0.00 0.21 0.00 0.00 66.02 64.71 1jxf s SER 71 CO -0.07 0.23 1.27 -0.89 0.41 0.00 0.00 173.24 174.19 1jxf s THR 72 N -0.01 4.23 -0.96 1.44 2.01 -1.26 -2.34 115.64 118.75 1jxf s THR 72 Ca -0.03 1.51 -0.01 0.00 0.31 0.00 0.00 61.69 63.46 1jxf s THR 72 Cb -0.14 -3.97 0.31 0.00 0.01 0.00 0.00 72.50 68.71 1jxf s THR 72 CO 0.04 -0.10 1.51 0.49 -0.69 0.00 0.00 174.62 175.87 1jxf n PHE 73 N 6.29 2.78 -0.01 4.92 3.01 0.75 -4.77 117.46 130.43 1jxf n PHE 73 Ca 0.13 -2.86 -0.00 0.00 1.01 0.00 0.00 57.45 55.73 1jxf n PHE 73 Cb 0.45 -1.08 -0.00 0.00 -0.01 0.00 0.00 39.48 38.84 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 2.83 0.00 -2.04 4.37 1.35 -1.88 0.32 112.91 117.87 1jxf h THR 74 Ca 0.34 -0.11 -0.60 0.00 -0.55 0.00 0.00 66.41 65.49 1jxf h THR 74 Cb 0.48 0.00 0.02 0.00 -1.73 0.00 0.00 68.15 66.91 1jxf h THR 74 CO 1.17 0.00 1.17 -0.62 -0.25 0.00 0.00 175.52 176.99 1jxf n GLU 75 N -2.42 2.25 -2.31 4.72 4.71 -1.26 -4.03 120.64 122.30 1jxf n GLU 75 Ca -0.00 0.81 -0.40 0.00 -0.01 0.00 0.00 57.16 57.55 1jxf n GLU 75 Cb 0.02 -2.75 -0.03 0.00 -1.01 0.00 0.00 31.44 27.67 1jxf n GLU 75 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1jxf s PRO 76 N 4.44 2.99 0.00 3.49 0.04 -1.26 -4.75 135.00 139.95 1jxf s PRO 76 Ca 0.94 0.26 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1jxf s PRO 76 Cb -0.63 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 29.66 1jxf s PRO 76 CO 0.49 -2.33 0.00 0.41 0.04 0.00 0.00 177.00 175.60 1jxf n GLY 77 N 5.48 3.24 2.83 0.56 0.00 -1.25 -4.95 105.19 111.11 1jxf n GLY 77 Ca 0.12 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 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 0.30 -0.04 -0.29 2.61 2.01 -1.26 -2.32 115.64 116.66 1jxf s THR 78 Ca 0.00 0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.16 1jxf s THR 78 Cb 0.00 -0.09 0.08 0.00 0.01 0.00 0.00 72.50 72.50 1jxf s THR 78 CO 0.00 0.06 0.01 -0.31 -0.69 0.00 0.00 174.62 173.69 1jxf s TYR 79 N 0.76 2.76 -0.69 4.92 2.02 -1.20 -3.98 117.35 121.94 1jxf s TYR 79 Ca -0.06 -2.20 -0.27 0.00 -0.37 0.00 0.00 57.07 54.16 1jxf s TYR 79 Cb -0.09 -2.08 0.02 0.00 -0.40 0.00 0.00 41.96 39.42 1jxf s TYR 79 CO -0.02 -0.86 1.39 0.99 -1.57 0.00 0.00 175.55 175.47 1jxf s THR 80 N 1.26 3.69 -0.07 -0.71 2.01 -1.20 -2.72 115.64 117.89 1jxf s THR 80 Ca 0.03 0.44 0.01 0.00 0.31 0.00 0.00 61.69 62.48 1jxf s THR 80 Cb -0.19 -4.69 -0.03 0.00 0.01 0.00 0.00 72.50 67.61 1jxf s THR 80 CO -0.11 -1.58 -0.08 -0.72 -0.69 0.00 0.00 174.62 171.43 1jxf s TYR 81 N 6.29 2.89 0.34 4.92 1.13 -1.23 -0.49 117.35 131.20 1jxf s TYR 81 Ca 0.43 -0.07 0.03 0.00 -1.41 0.00 0.00 57.07 56.06 1jxf s TYR 81 Cb -0.09 -1.72 -0.01 0.00 -1.10 0.00 0.00 41.96 39.04 1jxf s TYR 81 CO 0.18 0.25 0.38 2.48 -2.51 0.00 0.00 175.55 176.33 1jxf n TYR 82 N 2.40 -1.11 -2.92 -3.49 0.18 -1.01 -1.39 117.16 109.82 1jxf n TYR 82 Ca -0.18 -2.63 -0.43 0.00 1.88 0.00 0.00 57.90 56.55 1jxf n TYR 82 Cb 0.53 0.42 -0.05 0.00 -0.38 0.00 0.00 39.34 39.86 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 8.98 -0.02 -2.93 0.00 4.81 -1.94 -1.30 114.58 122.18 1jxf h GLU 84 Ca -0.24 0.00 -0.39 0.00 -0.13 0.00 0.00 59.36 58.59 1jxf h GLU 84 Cb 1.08 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 1jxf h GLU 84 CO 0.98 -0.01 2.12 -0.35 -0.73 0.00 0.00 179.01 181.02 1jxf n PRO 85 N -5.52 2.40 0.00 0.92 -0.04 -1.26 -2.76 135.00 128.74 1jxf n PRO 85 Ca 0.11 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.11 1jxf n PRO 85 Cb 0.41 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 1jxf n PRO 85 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1jxf n HIS 86 N 3.52 0.00 -1.11 0.54 8.25 -0.49 -5.01 115.22 120.91 1jxf n HIS 86 Ca 0.51 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.64 1jxf n HIS 86 Cb 0.34 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.42 1jxf n HIS 86 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1jxf n ARG 87 N 0.00 3.07 0.00 -0.41 0.63 -1.11 -3.52 116.66 115.32 1jxf n ARG 87 Ca 0.00 -1.94 0.00 0.00 -0.92 0.00 0.00 57.85 54.99 1jxf n ARG 87 Cb 0.00 -2.69 0.00 0.00 0.45 0.00 0.00 32.46 30.22 1jxf n ARG 87 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1jxf n GLY 88 N 3.67 -0.27 1.25 5.14 0.00 -1.26 -5.08 105.19 108.65 1jxf n GLY 88 Ca 0.65 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 0.00 2.70 0.00 4.61 0.00 -1.23 -5.06 120.51 121.53 1jxf n ALA 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jxf n ALA 89 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 1.86 0.30 2.70 0.00 0.00 -1.26 -5.13 105.19 103.66 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 0.10 1.61 -2.45 -1.26 -4.89 119.30 112.73 1jxf s MET 91 Ca 0.00 -0.32 -0.08 0.00 -1.25 0.00 0.00 55.69 54.05 1jxf s MET 91 Cb 0.00 -0.80 -0.01 0.00 1.25 0.00 0.00 34.83 35.28 1jxf s MET 91 CO 0.00 -1.04 0.18 0.08 1.05 0.00 0.00 175.02 175.29 1jxf s VAL 92 N 2.20 0.14 0.35 10.11 1.01 -1.26 -4.04 120.40 128.90 1jxf s VAL 92 Ca 0.10 -1.29 0.05 0.00 0.00 0.00 0.00 61.98 60.83 1jxf s VAL 92 Cb -0.15 -1.46 -0.07 0.00 0.00 0.00 0.00 36.38 34.71 1jxf s VAL 92 CO -0.31 -0.62 0.04 -0.83 0.00 0.00 0.00 175.10 173.38 1jxf s GLY 93 N -2.89 2.18 -0.18 4.51 0.00 -0.48 -4.44 107.32 106.02 1jxf s GLY 93 Ca 0.08 -2.12 -0.04 0.00 0.00 0.00 0.00 44.72 42.63 1jxf s GLY 93 CO -0.09 -1.89 0.07 0.54 0.00 0.00 0.00 173.10 171.73 1jxf s LYS 94 N -3.84 0.26 0.30 2.90 1.02 0.47 -3.58 119.74 117.27 1jxf s LYS 94 Ca 0.36 -0.20 -0.16 0.00 0.02 0.00 0.00 55.97 55.99 1jxf s LYS 94 Cb 0.09 -1.92 -0.09 0.00 -0.52 0.00 0.00 37.83 35.40 1jxf s LYS 94 CO 0.16 -0.67 0.72 0.08 -0.92 0.00 0.00 175.35 174.73 1jxf s VAL 95 N 2.05 4.67 -0.23 3.17 1.01 -1.10 -3.20 120.40 126.76 1jxf s VAL 95 Ca 0.01 1.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.96 1jxf s VAL 95 Cb -0.16 -3.66 0.10 0.00 0.00 0.00 0.00 36.38 32.66 1jxf s VAL 95 CO -0.09 -0.10 0.22 -0.69 0.00 0.00 0.00 175.10 174.44 1jxf s VAL 96 N -1.88 -0.30 0.09 2.92 1.01 -0.68 -3.25 120.40 118.32 1jxf s VAL 96 Ca 0.51 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 62.15 1jxf s VAL 96 Cb -0.12 -0.77 -0.06 0.00 0.00 0.00 0.00 36.38 35.44 1jxf s VAL 96 CO 0.18 -0.32 0.38 -0.69 0.00 0.00 0.00 175.10 174.65 1jxf s VAL 97 N 2.30 5.13 -2.25 2.92 1.01 -0.98 -2.90 120.40 125.63 1jxf s VAL 97 Ca 0.07 0.30 0.18 0.00 0.00 0.00 0.00 61.98 62.53 1jxf s VAL 97 Cb -0.15 -3.63 0.14 0.00 0.00 0.00 0.00 36.38 32.74 1jxf s VAL 97 CO -0.19 0.21 1.07 -0.67 0.00 0.00 0.00 175.10 175.52