#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 -0.16 0.06 0.00 2.20 -1.26 -4.85 114.94 110.93 1jxf s ASN 2 Ca 0.00 0.36 -0.22 0.00 -0.94 0.00 0.00 52.86 52.06 1jxf s ASN 2 Cb 0.00 0.28 -0.06 0.00 -2.00 0.00 0.00 41.25 39.47 1jxf s ASN 2 CO 0.00 -0.12 0.65 0.00 -2.94 0.00 0.00 177.10 174.69 1jxf s ALA 3 N 0.86 3.49 -0.25 3.54 0.00 -1.14 -5.04 121.76 123.23 1jxf s ALA 3 Ca -0.06 0.14 -0.03 0.00 0.00 0.00 0.00 51.96 52.00 1jxf s ALA 3 Cb -0.08 -2.80 0.11 0.00 0.00 0.00 0.00 23.12 20.35 1jxf s ALA 3 CO -0.05 0.24 0.21 0.99 0.00 0.00 0.00 175.76 177.15 1jxf s THR 4 N -0.62 -0.26 0.12 0.00 2.01 -1.26 -1.43 115.64 114.20 1jxf s THR 4 Ca 0.33 -0.40 0.03 0.00 0.31 0.00 0.00 61.69 61.96 1jxf s THR 4 Cb -0.20 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 1jxf s THR 4 CO 0.20 -0.43 0.15 -0.69 -0.69 0.00 0.00 174.62 173.17 1jxf s VAL 5 N 2.26 4.76 -0.15 3.82 1.01 0.19 -4.68 120.40 127.61 1jxf s VAL 5 Ca 0.08 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 1jxf s VAL 5 Cb -0.15 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 32.88 1jxf s VAL 5 CO -0.25 -0.00 -0.08 -1.59 0.00 0.00 0.00 175.10 173.18 1jxf s LYS 6 N -2.84 1.70 -0.19 2.72 -2.85 -1.07 -1.29 119.74 115.92 1jxf s LYS 6 Ca 0.32 -0.48 -0.29 0.00 -1.00 0.00 0.00 55.97 54.51 1jxf s LYS 6 Cb -0.11 -1.95 -0.01 0.00 -2.06 0.00 0.00 37.83 33.70 1jxf s LYS 6 CO 0.24 -0.34 1.27 -1.64 0.10 0.00 0.00 175.35 174.98 1jxf s MET 7 N 1.60 4.17 -0.01 1.78 -1.94 0.23 -4.09 119.30 121.04 1jxf s MET 7 Ca 0.03 1.59 -0.01 0.00 -1.71 0.00 0.00 55.69 55.58 1jxf s MET 7 Cb -0.14 -3.79 0.00 0.00 2.01 0.00 0.00 34.83 32.92 1jxf s MET 7 CO -0.08 -0.79 0.02 0.41 -0.01 0.00 0.00 175.02 174.57 1jxf n GLY 8 N 3.74 -4.13 3.30 -0.03 0.00 -1.20 -2.45 105.19 104.43 1jxf n GLY 8 Ca 0.14 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 0.80 -2.95 -3.11 1.61 3.41 -0.68 -4.04 113.62 108.65 1jxf n SER 9 Ca -0.04 0.55 -0.27 0.00 -0.26 0.00 0.00 58.87 58.84 1jxf n SER 9 Cb 0.06 -1.00 -0.03 0.00 -0.26 0.00 0.00 64.21 62.98 1jxf n SER 9 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1jxf n ASP 10 N 1.45 6.38 0.07 4.04 5.75 -1.26 -3.55 116.55 129.42 1jxf n ASP 10 Ca 0.07 -2.41 0.00 0.00 -0.01 0.00 0.00 54.79 52.44 1jxf n ASP 10 Cb 0.50 -1.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.31 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 3.78 -0.51 0.00 -1.12 2.88 -1.26 -5.07 113.62 112.32 1jxf n SER 11 Ca 0.57 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 1jxf n SER 11 Cb 0.23 0.62 0.00 0.00 -0.75 0.00 0.00 64.21 64.31 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 0.75 0.00 3.02 0.46 0.00 -1.23 -5.06 105.19 103.13 1jxf n GLY 12 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1jxf n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jxf s ALA 13 N 0.00 -0.41 -0.65 4.61 0.00 -1.26 -4.99 121.76 119.06 1jxf s ALA 13 Ca 0.00 0.60 -0.22 0.00 0.00 0.00 0.00 51.96 52.33 1jxf s ALA 13 Cb 0.00 -0.37 0.07 0.00 0.00 0.00 0.00 23.12 22.82 1jxf s ALA 13 CO 0.00 -0.11 0.95 -0.48 0.00 0.00 0.00 175.76 176.12 1jxf s LEU 14 N 0.48 4.40 -0.07 0.00 0.05 -1.26 -1.69 118.68 120.60 1jxf s LEU 14 Ca -0.03 -0.97 -0.04 0.00 0.05 0.00 0.00 54.13 53.14 1jxf s LEU 14 Cb -0.05 -2.44 0.03 0.00 -2.05 0.00 0.00 46.19 41.69 1jxf s LEU 14 CO -0.02 -1.42 0.16 0.68 -0.55 0.00 0.00 176.35 175.20 1jxf s VAL 15 N 4.00 -0.04 -0.45 1.48 -7.23 -1.26 -4.78 120.40 112.12 1jxf s VAL 15 Ca 0.22 0.13 -0.29 0.00 -1.81 0.00 0.00 61.98 60.24 1jxf s VAL 15 Cb -0.17 -0.26 0.03 0.00 0.56 0.00 0.00 36.38 36.54 1jxf s VAL 15 CO 0.11 0.05 1.11 -0.36 -0.31 0.00 0.00 175.10 175.70 1jxf s PHE 16 N 0.93 2.87 -0.05 2.82 0.08 -1.26 -3.23 117.98 120.14 1jxf s PHE 16 Ca -0.07 0.75 -0.02 0.00 0.12 0.00 0.00 56.93 57.71 1jxf s PHE 16 Cb -0.09 -4.30 0.04 0.00 -0.57 0.00 0.00 43.02 38.10 1jxf s PHE 16 CO -0.05 -1.19 0.11 -2.00 -0.10 0.00 0.00 175.22 171.99 1jxf s GLU 17 N 4.29 0.06 0.11 0.44 2.12 -1.26 -1.46 118.70 123.00 1jxf s GLU 17 Ca 0.47 0.31 -0.30 0.00 0.36 0.00 0.00 54.97 55.81 1jxf s GLU 17 Cb -0.08 -0.19 -0.06 0.00 0.26 0.00 0.00 34.13 34.05 1jxf s GLU 17 CO 0.29 -0.16 1.14 -1.25 -0.54 0.00 0.00 175.26 174.74 1jxf s PRO 18 N 1.12 4.51 0.40 4.30 0.04 -1.26 -2.61 135.00 141.50 1jxf s PRO 18 Ca -0.09 1.73 0.13 0.00 0.04 0.00 0.00 61.00 62.81 1jxf s PRO 18 Cb -0.12 -3.32 0.95 0.00 0.04 0.00 0.00 34.50 32.05 1jxf s PRO 18 CO -0.05 -0.11 1.92 0.66 0.04 0.00 0.00 177.00 179.46 1jxf h SER 19 N 6.06 0.49 -3.18 6.66 4.64 -1.60 -3.37 113.55 123.24 1jxf h SER 19 Ca -0.43 0.02 -0.60 0.00 -0.47 0.00 0.00 61.79 60.32 1jxf h SER 19 Cb 1.21 -0.08 -0.36 0.00 -0.31 0.00 0.00 62.40 62.87 1jxf h SER 19 CO 0.77 0.27 -0.82 -0.89 -0.87 0.00 0.00 176.83 175.28 1jxf s THR 20 N -5.51 1.51 -0.09 2.95 2.01 -1.26 -0.36 115.64 114.90 1jxf s THR 20 Ca -0.09 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 61.29 1jxf s THR 20 Cb 0.21 -1.47 0.00 0.00 0.01 0.00 0.00 72.50 71.26 1jxf s THR 20 CO 0.77 0.39 -0.21 0.68 -0.69 0.00 0.00 174.62 175.56 1jxf s VAL 21 N 1.50 1.87 -0.33 3.82 -7.23 -1.24 -5.04 120.40 113.75 1jxf s VAL 21 Ca 0.04 -0.91 -0.02 0.00 -1.81 0.00 0.00 61.98 59.28 1jxf s VAL 21 Cb -0.13 -1.63 0.06 0.00 0.56 0.00 0.00 36.38 35.24 1jxf s VAL 21 CO -0.10 0.52 0.06 -0.89 -0.31 0.00 0.00 175.10 174.37 1jxf s THR 22 N 0.43 3.14 0.51 5.32 2.01 -1.26 -2.07 115.64 123.73 1jxf s THR 22 Ca -0.18 -1.51 0.02 0.00 0.31 0.00 0.00 61.69 60.33 1jxf s THR 22 Cb -0.17 -2.88 0.02 0.00 0.01 0.00 0.00 72.50 69.47 1jxf s THR 22 CO 0.07 -0.25 0.15 2.30 -0.69 0.00 0.00 174.62 176.20 1jxf n ILE 23 N 4.63 0.00 -1.51 1.82 -5.35 -1.12 -5.00 119.36 112.84 1jxf n ILE 23 Ca -0.10 -2.27 -0.30 0.00 -0.27 0.00 0.00 62.75 59.80 1jxf n ILE 23 Cb 0.43 0.29 0.20 0.00 -1.74 0.00 0.00 39.64 38.82 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 -3.95 -0.13 -0.89 6.28 1.02 -1.26 -1.40 119.74 119.41 1jxf s LYS 24 Ca 0.11 -0.18 -0.15 0.00 0.02 0.00 0.00 55.97 55.77 1jxf s LYS 24 Cb -0.01 -1.73 0.20 0.00 -0.52 0.00 0.00 37.83 35.77 1jxf s LYS 24 CO 0.07 -2.96 0.91 0.00 -0.92 0.00 0.00 175.35 172.45 1jxf s ALA 25 N -3.43 3.98 0.00 5.17 0.00 0.13 -3.81 121.76 123.80 1jxf s ALA 25 Ca 0.71 -3.25 0.00 0.00 0.00 0.00 0.00 51.96 49.43 1jxf s ALA 25 Cb -0.08 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1jxf s ALA 25 CO 0.54 -2.46 0.00 0.41 0.00 0.00 0.00 175.76 174.26 1jxf n GLY 26 N 4.21 0.59 3.67 0.00 0.00 0.49 -4.75 105.19 109.39 1jxf n GLY 26 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1jxf n GLY 26 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jxf n GLU 27 N 0.00 -2.29 -4.43 1.61 0.00 -1.24 -4.61 120.64 109.68 1jxf n GLU 27 Ca 0.00 -1.89 -0.22 0.00 0.00 0.00 0.00 57.16 55.04 1jxf n GLU 27 Cb 0.00 -1.51 -0.10 0.00 0.00 0.00 0.00 31.44 29.83 1jxf n GLU 27 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1jxf s GLU 28 N -5.68 1.57 -0.19 5.31 2.12 -1.26 -0.46 118.70 120.10 1jxf s GLU 28 Ca 0.73 -1.70 0.00 0.00 0.36 0.00 0.00 54.97 54.36 1jxf s GLU 28 Cb -0.05 -1.58 0.04 0.00 0.26 0.00 0.00 34.13 32.81 1jxf s GLU 28 CO 0.54 0.29 -0.08 0.08 -0.54 0.00 0.00 175.26 175.54 1jxf s VAL 29 N -2.61 1.48 0.16 3.70 1.01 -0.08 -2.86 120.40 121.20 1jxf s VAL 29 Ca 0.27 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 61.18 1jxf s VAL 29 Cb -0.04 -1.61 -0.07 0.00 0.00 0.00 0.00 36.38 34.66 1jxf s VAL 29 CO 0.12 0.12 0.56 -0.75 0.00 0.00 0.00 175.10 175.15 1jxf s LYS 30 N 1.46 3.97 0.05 2.72 2.20 -0.51 -2.00 119.74 127.63 1jxf s LYS 30 Ca -0.01 0.48 0.08 0.00 -0.36 0.00 0.00 55.97 56.16 1jxf s LYS 30 Cb -0.16 -2.90 -0.03 0.00 -1.51 0.00 0.00 37.83 33.24 1jxf s LYS 30 CO -0.08 0.46 -0.22 -1.58 -0.36 0.00 0.00 175.35 173.56 1jxf s TRP 31 N -1.51 1.96 -0.02 4.03 0.51 0.17 -0.63 118.94 123.44 1jxf s TRP 31 Ca 0.39 -0.39 0.05 0.00 -2.12 0.00 0.00 56.10 54.03 1jxf s TRP 31 Cb -0.15 -1.16 -0.01 0.00 -0.81 0.00 0.00 33.47 31.34 1jxf s TRP 31 CO 0.19 0.11 -0.16 0.08 -0.51 0.00 0.00 176.95 176.66 1jxf s VAL 32 N -0.82 1.28 -0.20 4.03 1.01 -0.42 -2.28 120.40 123.01 1jxf s VAL 32 Ca 0.09 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.30 1jxf s VAL 32 Cb -0.09 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 1jxf s VAL 32 CO 0.02 0.37 0.11 0.21 0.00 0.00 0.00 175.10 175.80 1jxf s ASN 33 N -0.22 5.95 0.00 3.32 3.84 -1.26 0.77 114.94 127.34 1jxf s ASN 33 Ca 0.03 0.14 0.00 0.00 0.21 0.00 0.00 52.86 53.24 1jxf s ASN 33 Cb -0.08 -2.04 0.00 0.00 -0.55 0.00 0.00 41.25 38.58 1jxf s ASN 33 CO 0.00 0.16 0.00 0.59 -2.79 0.00 0.00 177.10 175.06 1jxf n ASN 34 N 3.67 0.00 -4.60 -4.21 3.02 -1.03 -4.47 115.26 107.64 1jxf n ASN 34 Ca -0.16 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.07 1jxf n ASN 34 Cb 0.52 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.62 1jxf n ASN 34 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1jxf s LYS 35 N 0.00 2.18 -0.99 3.52 -0.14 -1.26 -4.88 119.74 118.18 1jxf s LYS 35 Ca 0.00 -2.41 -0.05 0.00 -1.36 0.00 0.00 55.97 52.15 1jxf s LYS 35 Cb 0.00 -1.28 -0.05 0.00 -1.68 0.00 0.00 37.83 34.82 1jxf s LYS 35 CO 0.00 -0.45 0.87 1.28 -0.76 0.00 0.00 175.35 176.29 1jxf n LEU 36 N -1.23 -5.81 -4.85 3.17 7.99 -1.26 -4.48 117.00 110.53 1jxf n LEU 36 Ca -0.18 -0.59 -0.21 0.00 -0.01 0.00 0.00 56.01 55.02 1jxf n LEU 36 Cb 0.66 -3.21 -0.04 0.00 -0.11 0.00 0.00 43.42 40.72 1jxf n LEU 36 CO 0.36 -0.14 -0.09 -0.94 -1.51 0.00 0.00 177.39 175.07 1jxf s SER 37 N -3.31 5.25 0.79 -1.43 1.04 -1.26 -4.35 113.70 110.42 1jxf s SER 37 Ca 0.37 -0.51 -0.11 0.00 0.48 0.00 0.00 55.95 56.17 1jxf s SER 37 Cb -0.05 -0.95 0.06 0.00 0.10 0.00 0.00 66.02 65.18 1jxf s SER 37 CO 0.75 -0.36 1.09 -2.16 0.98 0.00 0.00 173.24 173.54 1jxf s PRO 38 N -3.99 2.19 -0.13 4.02 0.04 -1.26 -5.16 135.00 130.71 1jxf s PRO 38 Ca 0.41 0.67 0.01 0.00 0.04 0.00 0.00 61.00 62.12 1jxf s PRO 38 Cb -0.06 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.58 1jxf s PRO 38 CO 0.26 -1.56 -0.14 -1.01 0.04 0.00 0.00 177.00 174.59 1jxf s HIS 39 N -3.15 2.06 0.41 0.56 3.76 -1.25 -4.95 115.29 112.72 1jxf s HIS 39 Ca 0.60 -1.08 0.08 0.00 -0.15 0.00 0.00 55.06 54.51 1jxf s HIS 39 Cb -0.14 -1.51 -0.04 0.00 1.11 0.00 0.00 32.58 32.00 1jxf s HIS 39 CO 0.54 -0.59 0.25 1.21 -0.85 0.00 0.00 174.74 175.31 1jxf s ASN 40 N 1.29 4.70 -0.30 1.40 3.84 -1.26 -4.25 114.94 120.36 1jxf s ASN 40 Ca 0.00 -0.91 -0.02 0.00 0.21 0.00 0.00 52.86 52.14 1jxf s ASN 40 Cb -0.14 -0.55 0.12 0.00 -0.55 0.00 0.00 41.25 40.13 1jxf s ASN 40 CO -0.07 -0.55 0.20 -0.63 -2.79 0.00 0.00 177.10 173.26 1jxf s ILE 41 N -2.53 -0.16 -0.14 -5.21 1.01 -1.16 -4.36 121.20 108.65 1jxf s ILE 41 Ca 0.43 -0.81 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 1jxf s ILE 41 Cb 0.00 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.47 1jxf s ILE 41 CO 0.25 -0.68 -0.06 0.68 0.00 0.00 0.00 174.94 175.12 1jxf s VAL 42 N 2.01 3.66 -0.85 2.92 -7.23 -1.13 0.16 120.40 119.94 1jxf s VAL 42 Ca 0.11 -0.45 -0.18 0.00 -1.81 0.00 0.00 61.98 59.65 1jxf s VAL 42 Cb -0.16 -2.58 0.15 0.00 0.56 0.00 0.00 36.38 34.34 1jxf s VAL 42 CO -0.29 0.51 0.98 -0.36 -0.31 0.00 0.00 175.10 175.62 1jxf s PHE 43 N 0.29 3.25 -0.58 2.82 0.40 -1.26 -2.63 117.98 120.27 1jxf s PHE 43 Ca -0.05 -1.46 -0.27 0.00 -0.60 0.00 0.00 56.93 54.55 1jxf s PHE 43 Cb -0.14 -4.13 0.01 0.00 0.51 0.00 0.00 43.02 39.26 1jxf s PHE 43 CO 0.04 -1.35 1.53 0.00 0.70 0.00 0.00 175.22 176.14 1jxf s ALA 44 N 2.10 2.65 -0.91 5.36 0.00 -0.99 -4.45 121.76 125.52 1jxf s ALA 44 Ca 0.26 -0.69 -0.26 0.00 0.00 0.00 0.00 51.96 51.26 1jxf s ALA 44 Cb -0.09 -4.16 -0.21 0.00 0.00 0.00 0.00 23.12 18.65 1jxf s ALA 44 CO -0.07 -3.19 2.55 0.00 0.00 0.00 0.00 175.76 175.06 1jxf n ALA 45 N 10.36 0.51 -3.28 0.00 0.00 -1.26 -3.96 120.51 122.89 1jxf n ALA 45 Ca 0.14 -0.53 -0.31 0.00 0.00 0.00 0.00 53.44 52.74 1jxf n ALA 45 Cb 0.50 -2.49 -0.06 0.00 0.00 0.00 0.00 19.45 17.40 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 10.95 4.45 0.00 0.00 9.92 -1.26 -4.67 116.55 135.94 1jxf n ASP 46 Ca 0.61 -3.47 0.00 0.00 -0.53 0.00 0.00 54.79 51.40 1jxf n ASP 46 Cb 0.15 -0.79 0.00 0.00 -0.64 0.00 0.00 41.12 39.84 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 0.82 2.74 3.96 0.44 0.00 -1.26 -4.74 105.19 107.14 1jxf n GLY 47 Ca 0.30 0.00 -0.23 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 -0.91 0.00 -2.48 1.61 3.14 -1.26 -4.95 118.33 113.49 1jxf n VAL 48 Ca 0.00 -1.60 -0.42 0.00 -2.96 0.00 0.00 64.34 59.36 1jxf n VAL 48 Cb 0.00 -0.88 -0.03 0.00 -1.06 0.00 0.00 33.84 31.86 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 -5.14 7.17 0.31 6.55 1.11 -1.26 -4.87 116.67 120.55 1jxf s ASP 49 Ca 0.67 2.02 -0.00 0.00 0.18 0.00 0.00 52.55 55.42 1jxf s ASP 49 Cb -0.04 -2.59 0.51 0.00 1.07 0.00 0.00 42.92 41.87 1jxf s ASP 49 CO 0.45 -0.36 1.97 0.00 1.18 0.00 0.00 175.17 178.42 1jxf h ALA 50 N 6.13 1.46 -0.94 5.23 0.00 -1.96 0.13 119.26 129.31 1jxf h ALA 50 Ca -0.43 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1jxf h ALA 50 Cb 1.21 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1jxf h ALA 50 CO 0.77 0.49 0.57 -0.44 0.00 0.00 0.00 179.25 180.63 1jxf h ASP 51 N 1.04 1.13 0.07 0.00 3.32 -1.98 0.34 116.42 120.33 1jxf h ASP 51 Ca 0.29 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 1jxf h ASP 51 Cb -0.08 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.18 1jxf h ASP 51 CO -0.07 0.86 -0.03 0.74 -1.72 0.00 0.00 179.24 179.02 1jxf h THR 52 N 1.29 1.20 -0.03 0.35 2.02 -1.56 -2.55 112.91 113.63 1jxf h THR 52 Ca 0.34 -1.03 0.01 0.00 0.77 0.00 0.00 66.41 66.50 1jxf h THR 52 Cb -0.06 1.86 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1jxf h THR 52 CO -0.06 0.25 0.03 0.00 0.37 0.00 0.00 175.52 176.11 1jxf h ALA 53 N 0.31 1.66 -0.42 6.16 0.00 -0.57 0.25 119.26 126.64 1jxf h ALA 53 Ca -0.01 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1jxf h ALA 53 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1jxf h ALA 53 CO 0.02 -0.05 -0.28 0.00 0.00 0.00 0.00 179.25 178.93 1jxf h ALA 54 N 1.96 0.69 -0.01 0.00 0.00 -0.10 0.44 119.26 122.25 1jxf h ALA 54 Ca 0.02 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.31 1jxf h ALA 54 Cb 0.08 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 17.74 1jxf h ALA 54 CO -0.00 0.67 -0.78 -0.22 0.00 0.00 0.00 179.25 178.92 1jxf h LYS 55 N 0.78 0.54 0.00 0.00 3.64 -0.50 -2.93 116.57 118.09 1jxf h LYS 55 Ca 0.09 -0.57 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1jxf h LYS 55 Cb 0.85 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1jxf h LYS 55 CO 0.08 1.20 0.00 1.28 -2.27 0.00 0.00 179.45 179.73 1jxf n LEU 56 N -4.07 0.00 -4.86 5.20 4.32 0.64 -4.77 117.00 113.45 1jxf n LEU 56 Ca -0.11 0.00 -0.34 0.00 -0.02 0.00 0.00 56.01 55.54 1jxf n LEU 56 Cb 0.76 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.50 1jxf n LEU 56 CO 0.51 0.00 0.16 -0.44 -1.22 0.00 0.00 177.39 176.40 1jxf s SER 57 N -1.95 6.69 -0.30 -1.43 0.01 0.15 -4.20 113.70 112.67 1jxf s SER 57 Ca 0.43 0.91 -0.03 0.00 1.31 0.00 0.00 55.95 58.57 1jxf s SER 57 Cb 0.20 -2.22 0.10 0.00 0.21 0.00 0.00 66.02 64.30 1jxf s SER 57 CO 0.33 0.08 0.11 -1.00 0.41 0.00 0.00 173.24 173.17 1jxf s HIS 58 N -1.54 0.95 -1.88 2.43 3.76 0.42 -4.85 115.29 114.59 1jxf s HIS 58 Ca 0.39 -1.26 0.22 0.00 -0.15 0.00 0.00 55.06 54.25 1jxf s HIS 58 Cb -0.14 -1.27 0.62 0.00 1.11 0.00 0.00 32.58 32.91 1jxf s HIS 58 CO 0.20 -0.85 1.51 1.63 -0.85 0.00 0.00 174.74 176.38 1jxf n LYS 59 N 5.07 2.74 0.50 1.40 5.02 -1.26 -3.00 118.16 128.63 1jxf n LYS 59 Ca -0.04 -2.61 -0.19 0.00 -2.02 0.00 0.00 58.31 53.44 1jxf n LYS 59 Cb 0.42 -1.54 -0.09 0.00 -0.02 0.00 0.00 35.03 33.80 1jxf n LYS 59 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1jxf h GLY 60 N 4.09 -1.32 0.00 0.72 0.00 -1.92 -3.50 103.07 101.15 1jxf h GLY 60 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.82 1jxf h GLY 60 CO 0.00 -0.48 0.00 -0.10 0.00 0.00 0.00 176.54 175.96 1jxf n LEU 61 N -5.45 -1.83 -4.22 3.11 0.00 -1.26 -5.04 117.00 102.31 1jxf n LEU 61 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 56.01 55.56 1jxf n LEU 61 Cb 0.50 1.00 -0.16 0.00 0.00 0.00 0.00 43.42 44.75 1jxf n LEU 61 CO 0.38 0.00 -0.55 0.00 0.00 0.00 0.00 177.39 177.22 1jxf s ALA 62 N -1.17 1.97 -0.39 1.96 0.00 -1.26 -5.02 121.76 117.84 1jxf s ALA 62 Ca 0.00 -0.93 0.05 0.00 0.00 0.00 0.00 51.96 51.08 1jxf s ALA 62 Cb 0.00 -0.63 0.50 0.00 0.00 0.00 0.00 23.12 22.99 1jxf s ALA 62 CO 0.00 0.37 1.57 1.19 0.00 0.00 0.00 175.76 178.89 1jxf n PHE 63 N 3.04 2.20 -4.06 0.00 3.72 -1.26 -3.94 117.46 117.16 1jxf n PHE 63 Ca -0.18 -2.12 -0.07 0.00 -0.05 0.00 0.00 57.45 55.03 1jxf n PHE 63 Cb 0.52 -0.72 -0.10 0.00 -0.94 0.00 0.00 39.48 38.24 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 -3.48 0.42 -0.56 4.37 0.00 -1.26 -5.04 121.76 116.21 1jxf s ALA 64 Ca 0.52 -1.13 -0.14 0.00 0.00 0.00 0.00 51.96 51.21 1jxf s ALA 64 Cb 0.44 0.29 0.14 0.00 0.00 0.00 0.00 23.12 23.98 1jxf s ALA 64 CO 0.02 -0.38 0.50 0.00 0.00 0.00 0.00 175.76 175.90 1jxf s ALA 65 N -3.81 3.64 0.00 0.00 0.00 -1.26 -4.17 121.76 116.16 1jxf s ALA 65 Ca 0.06 -2.63 0.00 0.00 0.00 0.00 0.00 51.96 49.39 1jxf s ALA 65 Cb 0.07 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1jxf s ALA 65 CO -0.10 -2.02 0.00 0.41 0.00 0.00 0.00 175.76 174.05 1jxf n GLY 66 N 5.04 0.44 3.73 0.00 0.00 -1.26 -5.11 105.19 108.04 1jxf n GLY 66 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 4.55 0.52 1.61 0.41 -1.26 -4.92 118.70 119.62 1jxf s GLU 67 Ca 0.00 1.74 0.01 0.00 -0.41 0.00 0.00 54.97 56.31 1jxf s GLU 67 Cb 0.00 -3.29 -0.00 0.00 -1.78 0.00 0.00 34.13 29.06 1jxf s GLU 67 CO 0.00 -0.00 0.05 -1.12 -0.49 0.00 0.00 175.26 173.70 1jxf s SER 68 N 0.12 4.21 0.04 -0.19 0.01 -1.26 -4.00 113.70 112.62 1jxf s SER 68 Ca 0.51 -1.64 0.02 0.00 1.31 0.00 0.00 55.95 56.15 1jxf s SER 68 Cb -0.30 0.60 -0.02 0.00 0.21 0.00 0.00 66.02 66.51 1jxf s SER 68 CO 0.34 -0.92 -0.07 -0.36 0.41 0.00 0.00 173.24 172.64 1jxf s PHE 69 N -2.88 0.63 0.04 2.43 0.40 -0.97 -4.93 117.98 112.70 1jxf s PHE 69 Ca 0.06 -0.47 0.05 0.00 -0.60 0.00 0.00 56.93 55.97 1jxf s PHE 69 Cb 0.00 -0.38 -0.02 0.00 0.51 0.00 0.00 43.02 43.13 1jxf s PHE 69 CO 0.04 -0.08 -0.14 0.95 0.70 0.00 0.00 175.22 176.68 1jxf s THR 70 N -1.28 1.13 0.00 0.64 -4.23 -1.26 0.43 115.64 111.07 1jxf s THR 70 Ca -0.09 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 1jxf s THR 70 Cb -0.09 -1.02 -0.00 0.00 1.34 0.00 0.00 72.50 72.73 1jxf s THR 70 CO 0.00 0.03 -0.01 -0.55 -0.54 0.00 0.00 174.62 173.54 1jxf s SER 71 N -1.10 0.14 -0.36 3.99 0.15 -0.85 -4.94 113.70 110.74 1jxf s SER 71 Ca 0.02 -0.12 -0.16 0.00 0.70 0.00 0.00 55.95 56.39 1jxf s SER 71 Cb -0.08 0.01 -0.00 0.00 -1.71 0.00 0.00 66.02 64.24 1jxf s SER 71 CO 0.01 -0.05 0.39 -0.89 1.20 0.00 0.00 173.24 173.90 1jxf s THR 72 N -0.31 5.13 -1.13 6.45 2.01 -1.26 -0.90 115.64 125.63 1jxf s THR 72 Ca -0.03 -0.04 -0.04 0.00 0.31 0.00 0.00 61.69 61.89 1jxf s THR 72 Cb -0.02 -3.89 0.26 0.00 0.01 0.00 0.00 72.50 68.85 1jxf s THR 72 CO -0.00 -0.20 1.83 0.49 -0.69 0.00 0.00 174.62 176.05 1jxf n PHE 73 N 5.47 2.58 -0.06 4.92 3.01 0.39 -4.69 117.46 129.08 1jxf n PHE 73 Ca -0.08 -2.64 -0.08 0.00 1.01 0.00 0.00 57.45 55.66 1jxf n PHE 73 Cb 0.49 -1.43 -0.06 0.00 -0.01 0.00 0.00 39.48 38.46 1jxf n PHE 73 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1jxf h THR 74 N 2.87 0.79 -3.09 4.37 2.02 -1.83 1.42 112.91 119.45 1jxf h THR 74 Ca 0.44 -1.63 -0.54 0.00 0.77 0.00 0.00 66.41 65.46 1jxf h THR 74 Cb 0.45 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1jxf h THR 74 CO 1.35 0.27 0.66 -0.70 0.37 0.00 0.00 175.52 177.46 1jxf s GLU 75 N -1.94 4.37 -0.02 6.66 2.56 -1.26 -4.02 118.70 125.06 1jxf s GLU 75 Ca -0.11 1.83 -0.30 0.00 0.00 0.00 0.00 54.97 56.39 1jxf s GLU 75 Cb -0.01 -3.41 -0.04 0.00 2.00 0.00 0.00 34.13 32.67 1jxf s GLU 75 CO 0.34 -0.38 1.20 -1.25 -0.56 0.00 0.00 175.26 174.61 1jxf s PRO 76 N 1.53 4.38 0.00 4.30 0.04 -1.26 -4.80 135.00 139.19 1jxf s PRO 76 Ca 0.60 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1jxf s PRO 76 Cb -0.30 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.75 1jxf s PRO 76 CO 0.27 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.34 1jxf n GLY 77 N 3.32 -1.35 3.31 0.56 0.00 -1.25 -4.98 105.19 104.80 1jxf n GLY 77 Ca 0.10 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.98 2.91 -0.36 2.61 2.01 -1.26 -1.52 115.64 117.05 1jxf s THR 78 Ca 0.00 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 61.31 1jxf s THR 78 Cb 0.00 -2.24 0.10 0.00 0.01 0.00 0.00 72.50 70.37 1jxf s THR 78 CO 0.00 0.51 0.11 -0.31 -0.69 0.00 0.00 174.62 174.23 1jxf s TYR 79 N 0.72 3.62 -0.87 4.92 2.02 -1.15 -4.09 117.35 122.52 1jxf s TYR 79 Ca -0.06 -2.61 -0.25 0.00 -0.37 0.00 0.00 57.07 53.79 1jxf s TYR 79 Cb -0.15 -2.94 0.01 0.00 -0.40 0.00 0.00 41.96 38.48 1jxf s TYR 79 CO 0.02 -0.94 1.61 0.99 -1.57 0.00 0.00 175.55 175.65 1jxf s THR 80 N 1.05 3.67 -0.16 -0.71 2.01 -1.25 -2.50 115.64 117.74 1jxf s THR 80 Ca 0.07 -0.27 -0.06 0.00 0.31 0.00 0.00 61.69 61.74 1jxf s THR 80 Cb -0.21 -4.58 -0.04 0.00 0.01 0.00 0.00 72.50 67.68 1jxf s THR 80 CO -0.06 -1.50 0.05 -0.72 -0.69 0.00 0.00 174.62 171.70 1jxf s TYR 81 N 7.13 3.25 0.39 4.92 1.13 -1.10 -2.35 117.35 130.71 1jxf s TYR 81 Ca 0.53 0.09 0.06 0.00 -1.41 0.00 0.00 57.07 56.35 1jxf s TYR 81 Cb -0.05 -2.02 -0.02 0.00 -1.10 0.00 0.00 41.96 38.76 1jxf s TYR 81 CO 0.02 0.22 0.22 1.52 -2.51 0.00 0.00 175.55 175.02 1jxf s TYR 82 N 0.10 1.79 0.01 -3.49 -0.85 -1.08 -0.33 117.35 113.51 1jxf s TYR 82 Ca 0.05 -1.52 -0.30 0.00 -0.52 0.00 0.00 57.07 54.77 1jxf s TYR 82 Cb -0.12 -0.94 -0.03 0.00 0.38 0.00 0.00 41.96 41.24 1jxf s TYR 82 CO 0.01 -0.62 1.02 0.00 -1.52 0.00 0.00 175.55 174.44 1jxf h GLU 84 N 6.82 -0.24 -0.01 0.00 4.81 -1.95 -0.74 114.58 123.27 1jxf h GLU 84 Ca -0.41 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.80 1jxf h GLU 84 Cb 1.22 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1jxf h GLU 84 CO 0.77 -0.16 -0.13 -1.00 -0.73 0.00 0.00 179.01 177.76 1jxf h PRO 85 N -0.24 0.10 -2.27 0.92 0.13 -1.92 -3.30 132.00 125.42 1jxf h PRO 85 Ca 0.05 -0.10 -0.59 0.00 -0.87 0.00 0.00 66.00 64.50 1jxf h PRO 85 Cb 0.32 0.03 -0.15 0.00 0.13 0.00 0.00 31.00 31.32 1jxf h PRO 85 CO -0.16 0.83 1.24 0.72 -0.23 0.00 0.00 178.00 180.40 1jxf n HIS 86 N -4.61 1.96 -0.06 1.56 8.25 -1.19 -4.52 115.22 116.61 1jxf n HIS 86 Ca -0.09 -2.30 -0.03 0.00 -0.26 0.00 0.00 57.72 55.03 1jxf n HIS 86 Cb 0.43 -1.59 -0.03 0.00 1.12 0.00 0.00 29.99 29.93 1jxf n HIS 86 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1jxf h ARG 87 N 3.68 0.00 -2.75 -0.41 2.43 -1.22 -3.36 114.38 112.76 1jxf h ARG 87 Ca 0.52 0.00 -0.81 0.00 -0.81 0.00 0.00 59.98 58.88 1jxf h ARG 87 Cb 0.57 0.00 -0.28 0.00 -0.42 0.00 0.00 29.97 29.84 1jxf h ARG 87 CO 1.11 0.21 0.84 0.41 -1.51 0.00 0.00 179.97 181.03 1jxf n GLY 88 N 1.73 5.42 1.46 2.80 0.00 -1.26 -4.34 105.19 111.00 1jxf n GLY 88 Ca -0.03 -2.65 0.00 0.00 0.00 0.00 0.00 46.02 43.34 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 0.97 2.53 0.00 4.61 0.00 -1.26 -5.06 120.51 122.30 1jxf n ALA 89 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1jxf n ALA 89 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 1.28 0.00 2.65 0.00 0.00 -1.26 -5.14 105.19 102.72 1jxf n GLY 90 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 0.28 0.07 1.61 -2.45 -1.26 -4.88 119.30 112.68 1jxf s MET 91 Ca 0.00 -0.38 -0.08 0.00 -1.25 0.00 0.00 55.69 53.98 1jxf s MET 91 Cb 0.00 -0.90 -0.01 0.00 1.25 0.00 0.00 34.83 35.17 1jxf s MET 91 CO 0.00 -1.04 0.16 0.08 1.05 0.00 0.00 175.02 175.27 1jxf s VAL 92 N 2.17 0.15 0.19 10.11 1.01 -1.26 -3.34 120.40 129.43 1jxf s VAL 92 Ca 0.10 -1.20 0.06 0.00 0.00 0.00 0.00 61.98 60.94 1jxf s VAL 92 Cb -0.15 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 1jxf s VAL 92 CO -0.32 -0.66 -0.09 -0.83 0.00 0.00 0.00 175.10 173.19 1jxf s GLY 93 N -2.70 1.35 -0.32 4.51 0.00 0.56 -4.65 107.32 106.07 1jxf s GLY 93 Ca 0.03 -1.64 -0.01 0.00 0.00 0.00 0.00 44.72 43.10 1jxf s GLY 93 CO -0.09 -1.68 0.11 1.25 0.00 0.00 0.00 173.10 172.69 1jxf s LYS 94 N -3.74 0.66 0.48 2.90 2.20 0.52 -2.73 119.74 120.05 1jxf s LYS 94 Ca 0.22 -1.06 -0.19 0.00 -0.36 0.00 0.00 55.97 54.58 1jxf s LYS 94 Cb 0.02 -1.87 -0.09 0.00 -1.51 0.00 0.00 37.83 34.38 1jxf s LYS 94 CO 0.05 -1.01 0.99 0.08 -0.36 0.00 0.00 175.35 175.11 1jxf s VAL 95 N 1.60 4.19 -0.26 4.02 1.01 -1.04 -3.61 120.40 126.31 1jxf s VAL 95 Ca 0.10 1.25 -0.02 0.00 0.00 0.00 0.00 61.98 63.31 1jxf s VAL 95 Cb -0.18 -3.56 0.11 0.00 0.00 0.00 0.00 36.38 32.76 1jxf s VAL 95 CO -0.25 -0.40 0.24 -0.69 0.00 0.00 0.00 175.10 174.00 1jxf s VAL 96 N -2.26 -0.31 0.12 2.92 1.01 -0.88 -2.93 120.40 118.08 1jxf s VAL 96 Ca 0.63 -0.43 -0.16 0.00 0.00 0.00 0.00 61.98 62.03 1jxf s VAL 96 Cb -0.12 -0.89 -0.07 0.00 0.00 0.00 0.00 36.38 35.30 1jxf s VAL 96 CO 0.22 -0.44 0.55 -0.69 0.00 0.00 0.00 175.10 174.74 1jxf s VAL 97 N 2.29 4.83 0.00 2.92 1.01 -0.57 -2.78 120.40 128.10 1jxf s VAL 97 Ca 0.08 0.94 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1jxf s VAL 97 Cb -0.15 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1jxf s VAL 97 CO -0.27 0.34 0.37 -0.67 0.00 0.00 0.00 175.10 174.87