#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 3.11 0.08 0.00 4.22 -1.26 -4.88 114.94 116.21 1jxf s ASN 2 Ca 0.00 0.73 -0.02 0.00 -2.14 0.00 0.00 52.86 51.43 1jxf s ASN 2 Cb 0.00 -1.11 -0.04 0.00 1.28 0.00 0.00 41.25 41.37 1jxf s ASN 2 CO 0.00 -2.77 0.26 0.00 -2.04 0.00 0.00 177.10 172.54 1jxf s ALA 3 N -3.41 3.94 -0.08 3.54 0.00 -1.16 -5.03 121.76 119.57 1jxf s ALA 3 Ca 0.67 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.85 1jxf s ALA 3 Cb -0.11 -1.92 0.04 0.00 0.00 0.00 0.00 23.12 21.13 1jxf s ALA 3 CO 0.53 0.77 0.17 0.99 0.00 0.00 0.00 175.76 178.22 1jxf s THR 4 N -1.53 -0.06 -0.05 0.00 2.01 -1.26 -1.58 115.64 113.17 1jxf s THR 4 Ca 0.36 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.54 1jxf s THR 4 Cb -0.13 -0.27 0.02 0.00 0.01 0.00 0.00 72.50 72.13 1jxf s THR 4 CO 0.26 0.08 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.55 1jxf s VAL 5 N 1.27 0.44 0.01 3.82 1.01 -0.65 -4.50 120.40 121.80 1jxf s VAL 5 Ca -0.08 -0.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 1jxf s VAL 5 Cb -0.11 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.70 1jxf s VAL 5 CO -0.07 0.23 0.26 -0.54 0.00 0.00 0.00 175.10 174.98 1jxf s LYS 6 N 1.28 3.57 -0.43 2.72 1.02 -0.95 -3.21 119.74 123.74 1jxf s LYS 6 Ca -0.06 -0.10 -0.06 0.00 0.02 0.00 0.00 55.97 55.77 1jxf s LYS 6 Cb -0.14 -3.07 0.11 0.00 -0.52 0.00 0.00 37.83 34.21 1jxf s LYS 6 CO -0.02 0.64 0.26 0.00 -0.92 0.00 0.00 175.35 175.32 1jxf s MET 7 N -1.82 2.30 0.00 1.68 0.23 -0.86 -3.27 119.30 117.56 1jxf s MET 7 Ca 0.28 -1.73 0.00 0.00 -1.03 0.00 0.00 55.69 53.21 1jxf s MET 7 Cb -0.13 -3.74 0.00 0.00 -1.53 0.00 0.00 34.83 29.43 1jxf s MET 7 CO 0.17 -1.09 0.00 0.41 -2.03 0.00 0.00 175.02 172.48 1jxf n GLY 8 N 4.77 0.85 3.54 3.16 0.00 -0.79 -3.96 105.19 112.76 1jxf n GLY 8 Ca -0.06 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 1jxf n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jxf n SER 9 N 0.00 0.43 -3.13 1.61 3.41 -0.75 -4.25 113.62 110.95 1jxf n SER 9 Ca 0.00 1.03 -0.31 0.00 -0.26 0.00 0.00 58.87 59.34 1jxf n SER 9 Cb 0.00 -1.24 -0.04 0.00 -0.26 0.00 0.00 64.21 62.67 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 1.00 7.13 0.18 4.04 5.68 -1.26 -3.49 116.55 129.83 1jxf n ASP 10 Ca 0.11 -2.47 0.00 0.00 -0.50 0.00 0.00 54.79 51.93 1jxf n ASP 10 Cb 0.37 -1.38 0.00 0.00 -1.14 0.00 0.00 41.12 38.97 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 3.65 -1.79 0.00 -1.12 2.88 -1.26 -5.06 113.62 110.91 1jxf n SER 11 Ca 0.64 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 1jxf n SER 11 Cb 0.26 1.81 0.00 0.00 -0.75 0.00 0.00 64.21 65.53 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 0.29 0.00 2.87 0.46 0.00 -1.23 -5.15 105.19 102.43 1jxf n GLY 12 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.72 4.61 0.00 -1.26 -5.07 121.76 119.01 1jxf s ALA 13 Ca 0.00 0.59 -0.27 0.00 0.00 0.00 0.00 51.96 52.29 1jxf s ALA 13 Cb 0.00 -1.02 0.03 0.00 0.00 0.00 0.00 23.12 22.13 1jxf s ALA 13 CO 0.00 -0.77 1.24 -0.48 0.00 0.00 0.00 175.76 175.75 1jxf s LEU 14 N 2.34 3.31 0.25 0.00 2.34 -1.26 -1.80 118.68 123.86 1jxf s LEU 14 Ca 0.03 -0.47 -0.04 0.00 0.06 0.00 0.00 54.13 53.71 1jxf s LEU 14 Cb -0.13 -2.58 -0.02 0.00 -0.56 0.00 0.00 46.19 42.89 1jxf s LEU 14 CO -0.08 -1.77 0.29 0.68 -1.06 0.00 0.00 176.35 174.40 1jxf s VAL 15 N 5.50 0.00 -0.33 1.48 -7.23 -1.26 -4.77 120.40 113.79 1jxf s VAL 15 Ca 0.34 -1.78 -0.01 0.00 -1.81 0.00 0.00 61.98 58.72 1jxf s VAL 15 Cb -0.09 -2.44 0.08 0.00 0.56 0.00 0.00 36.38 34.49 1jxf s VAL 15 CO 0.15 0.00 0.06 -0.36 -0.31 0.00 0.00 175.10 174.64 1jxf s PHE 16 N -3.89 3.43 -0.03 2.82 0.08 -1.26 -1.88 117.98 117.25 1jxf s PHE 16 Ca 0.33 -2.23 0.02 0.00 0.12 0.00 0.00 56.93 55.17 1jxf s PHE 16 Cb 0.03 -2.53 0.01 0.00 -0.57 0.00 0.00 43.02 39.96 1jxf s PHE 16 CO 0.14 -0.88 -0.06 -1.21 -0.10 0.00 0.00 175.22 173.11 1jxf s GLU 17 N 1.16 0.83 0.11 0.44 2.02 -1.20 -0.86 118.70 121.19 1jxf s GLU 17 Ca 0.01 -0.19 -0.30 0.00 0.02 0.00 0.00 54.97 54.50 1jxf s GLU 17 Cb -0.21 -0.80 -0.06 0.00 0.10 0.00 0.00 34.13 33.16 1jxf s GLU 17 CO -0.03 0.02 1.15 -1.25 0.02 0.00 0.00 175.26 175.16 1jxf s PRO 18 N 0.50 4.50 0.38 0.39 0.04 -1.26 -2.23 135.00 137.31 1jxf s PRO 18 Ca -0.07 1.73 0.13 0.00 0.04 0.00 0.00 61.00 62.83 1jxf s PRO 18 Cb -0.11 -3.32 0.94 0.00 0.04 0.00 0.00 34.50 32.05 1jxf s PRO 18 CO 0.00 -0.11 1.84 0.66 0.04 0.00 0.00 177.00 179.44 1jxf h SER 19 N 6.07 0.56 -4.16 6.66 4.64 -1.34 -3.40 113.55 122.59 1jxf h SER 19 Ca -0.43 0.05 -0.52 0.00 -0.47 0.00 0.00 61.79 60.43 1jxf h SER 19 Cb 1.21 -0.05 -0.30 0.00 -0.31 0.00 0.00 62.40 62.95 1jxf h SER 19 CO 0.77 0.24 -0.82 -0.89 -0.87 0.00 0.00 176.83 175.25 1jxf s THR 20 N -5.59 1.25 0.05 2.95 2.01 -1.26 -2.02 115.64 113.02 1jxf s THR 20 Ca -0.09 -0.66 -0.03 0.00 0.31 0.00 0.00 61.69 61.22 1jxf s THR 20 Cb 0.23 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.67 1jxf s THR 20 CO 0.79 0.36 0.02 0.68 -0.69 0.00 0.00 174.62 175.78 1jxf s VAL 21 N -0.25 0.17 -0.32 3.82 -7.23 -1.23 -5.06 120.40 110.30 1jxf s VAL 21 Ca 0.03 -1.40 0.02 0.00 -1.81 0.00 0.00 61.98 58.82 1jxf s VAL 21 Cb -0.07 -1.12 0.09 0.00 0.56 0.00 0.00 36.38 35.84 1jxf s VAL 21 CO 0.00 -0.77 0.05 -0.89 -0.31 0.00 0.00 175.10 173.17 1jxf s THR 22 N -3.14 1.77 0.04 5.32 2.01 -1.26 -1.84 115.64 118.54 1jxf s THR 22 Ca -0.00 -1.90 0.04 0.00 0.31 0.00 0.00 61.69 60.13 1jxf s THR 22 Cb 0.02 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1jxf s THR 22 CO -0.07 -0.54 -0.05 -0.51 -0.69 0.00 0.00 174.62 172.76 1jxf s ILE 23 N 1.18 3.77 0.90 1.82 -1.16 -0.81 -4.94 121.20 121.96 1jxf s ILE 23 Ca 0.08 -0.87 -0.12 0.00 -0.51 0.00 0.00 60.65 59.23 1jxf s ILE 23 Cb -0.18 -2.70 0.13 0.00 0.61 0.00 0.00 42.46 40.32 1jxf s ILE 23 CO -0.13 0.29 1.12 -0.54 -2.81 0.00 0.00 174.94 172.87 1jxf s LYS 24 N -1.75 1.19 0.37 3.50 1.02 -1.26 -3.48 119.74 119.33 1jxf s LYS 24 Ca 0.20 0.42 -0.25 0.00 0.02 0.00 0.00 55.97 56.36 1jxf s LYS 24 Cb -0.11 -1.83 -0.10 0.00 -0.52 0.00 0.00 37.83 35.27 1jxf s LYS 24 CO 0.11 -2.19 0.99 0.00 -0.92 0.00 0.00 175.35 173.35 1jxf s ALA 25 N -3.18 3.14 0.00 5.17 0.00 -1.26 -3.16 121.76 122.47 1jxf s ALA 25 Ca 0.63 0.59 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1jxf s ALA 25 Cb -0.16 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1jxf s ALA 25 CO 0.54 -0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.71 1jxf n GLY 26 N 0.31 2.83 3.88 0.00 0.00 -1.11 -5.01 105.19 106.10 1jxf n GLY 26 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.31 0.45 0.31 1.61 2.56 -1.19 -4.86 118.70 117.27 1jxf s GLU 27 Ca 0.00 -0.32 0.04 0.00 0.00 0.00 0.00 54.97 54.69 1jxf s GLU 27 Cb 0.00 -1.82 -0.06 0.00 2.00 0.00 0.00 34.13 34.25 1jxf s GLU 27 CO 0.00 -2.55 0.04 -1.83 -0.56 0.00 0.00 175.26 170.35 1jxf s GLU 28 N -5.80 1.60 -0.02 4.30 1.03 -1.26 -2.80 118.70 115.74 1jxf s GLU 28 Ca 0.73 -1.87 0.02 0.00 0.03 0.00 0.00 54.97 53.88 1jxf s GLU 28 Cb -0.05 -0.86 0.00 0.00 -0.80 0.00 0.00 34.13 32.42 1jxf s GLU 28 CO 0.53 -0.15 -0.08 0.08 -1.33 0.00 0.00 175.26 174.31 1jxf s VAL 29 N -3.29 0.72 0.01 1.83 1.01 0.16 -2.96 120.40 117.88 1jxf s VAL 29 Ca 0.35 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1jxf s VAL 29 Cb 0.08 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 1jxf s VAL 29 CO 0.14 0.22 0.05 -0.75 0.00 0.00 0.00 175.10 174.76 1jxf s LYS 30 N 0.13 2.92 -0.13 2.72 2.20 -0.61 -1.00 119.74 125.96 1jxf s LYS 30 Ca -0.02 -0.56 0.01 0.00 -0.36 0.00 0.00 55.97 55.04 1jxf s LYS 30 Cb -0.07 -2.76 0.02 0.00 -1.51 0.00 0.00 37.83 33.50 1jxf s LYS 30 CO 0.00 0.63 -0.14 -1.58 -0.36 0.00 0.00 175.35 173.90 1jxf s TRP 31 N -1.17 2.09 -0.17 4.03 0.51 0.23 -1.63 118.94 122.82 1jxf s TRP 31 Ca 0.22 -1.11 -0.06 0.00 -2.12 0.00 0.00 56.10 53.03 1jxf s TRP 31 Cb -0.12 -1.53 -0.03 0.00 -0.81 0.00 0.00 33.47 30.98 1jxf s TRP 31 CO 0.13 -0.60 0.01 0.08 -0.51 0.00 0.00 176.95 176.06 1jxf s VAL 32 N 1.34 4.31 0.17 4.03 1.01 -1.20 -1.39 120.40 128.67 1jxf s VAL 32 Ca 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1jxf s VAL 32 Cb -0.13 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1jxf s VAL 32 CO -0.08 0.47 0.36 0.21 0.00 0.00 0.00 175.10 176.06 1jxf s ASN 33 N 0.44 6.39 0.00 3.32 2.47 -1.23 -2.02 114.94 124.31 1jxf s ASN 33 Ca -0.00 0.39 0.00 0.00 0.42 0.00 0.00 52.86 53.67 1jxf s ASN 33 Cb -0.13 -2.01 0.00 0.00 -1.45 0.00 0.00 41.25 37.66 1jxf s ASN 33 CO 0.02 0.00 0.00 0.59 -3.72 0.00 0.00 177.10 173.99 1jxf n ASN 34 N -0.43 0.00 -3.90 -4.21 3.02 -1.25 -4.71 115.26 103.78 1jxf n ASN 34 Ca -0.05 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.26 1jxf n ASN 34 Cb 0.53 0.00 -0.08 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 1.89 -0.02 3.52 -0.14 -1.26 -4.86 119.74 118.87 1jxf s LYS 35 Ca 0.00 -2.14 -0.00 0.00 -1.36 0.00 0.00 55.97 52.47 1jxf s LYS 35 Cb 0.00 -0.34 0.00 0.00 -1.68 0.00 0.00 37.83 35.81 1jxf s LYS 35 CO 0.00 -0.54 0.00 1.28 -0.76 0.00 0.00 175.35 175.33 1jxf n LEU 36 N -0.84 -1.07 -4.76 3.17 4.77 -1.26 -4.56 117.00 112.46 1jxf n LEU 36 Ca -0.02 -0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.65 1jxf n LEU 36 Cb 0.64 -0.53 0.10 0.00 -2.33 0.00 0.00 43.42 41.30 1jxf n LEU 36 CO 0.34 -0.00 0.69 -0.94 -1.33 0.00 0.00 177.39 176.15 1jxf s SER 37 N -2.99 4.20 0.75 -1.43 1.04 -1.26 -4.51 113.70 109.50 1jxf s SER 37 Ca 0.00 1.68 -0.11 0.00 0.48 0.00 0.00 55.95 58.00 1jxf s SER 37 Cb -0.00 -2.39 0.04 0.00 0.10 0.00 0.00 66.02 63.77 1jxf s SER 37 CO 0.00 -2.21 1.08 -2.16 0.98 0.00 0.00 173.24 170.93 1jxf s PRO 38 N -4.93 2.50 -0.25 4.02 0.04 -1.26 -5.17 135.00 129.95 1jxf s PRO 38 Ca 0.62 0.79 -0.04 0.00 0.04 0.00 0.00 61.00 62.41 1jxf s PRO 38 Cb -0.17 -1.95 0.09 0.00 0.04 0.00 0.00 34.50 32.50 1jxf s PRO 38 CO 0.56 -1.37 0.12 -1.01 0.04 0.00 0.00 177.00 175.34 1jxf s HIS 39 N -3.10 0.35 0.00 0.56 3.76 -1.26 -4.85 115.29 110.75 1jxf s HIS 39 Ca 0.59 -0.74 0.08 0.00 -0.15 0.00 0.00 55.06 54.84 1jxf s HIS 39 Cb -0.14 -0.87 -0.02 0.00 1.11 0.00 0.00 32.58 32.65 1jxf s HIS 39 CO 0.55 -0.73 -0.25 -0.80 -0.85 0.00 0.00 174.74 172.66 1jxf s ASN 40 N 2.09 3.23 -0.66 1.40 0.01 -1.26 -4.63 114.94 115.12 1jxf s ASN 40 Ca 0.07 -0.48 -0.19 0.00 -0.71 0.00 0.00 52.86 51.54 1jxf s ASN 40 Cb -0.16 -0.38 0.11 0.00 0.41 0.00 0.00 41.25 41.22 1jxf s ASN 40 CO -0.28 0.30 0.80 -0.63 -1.51 0.00 0.00 177.10 175.78 1jxf s ILE 41 N -0.71 4.77 -0.51 0.60 -1.09 -1.12 -4.23 121.20 118.91 1jxf s ILE 41 Ca 0.11 -1.04 -0.14 0.00 -2.23 0.00 0.00 60.65 57.35 1jxf s ILE 41 Cb -0.10 -4.56 0.12 0.00 -1.58 0.00 0.00 42.46 36.34 1jxf s ILE 41 CO 0.01 -1.23 0.43 -0.69 -1.23 0.00 0.00 174.94 172.23 1jxf s VAL 42 N 2.79 4.94 0.06 2.92 1.01 -1.23 0.21 120.40 131.09 1jxf s VAL 42 Ca 0.16 -1.48 -0.31 0.00 0.00 0.00 0.00 61.98 60.35 1jxf s VAL 42 Cb -0.20 -4.14 -0.08 0.00 0.00 0.00 0.00 36.38 31.97 1jxf s VAL 42 CO 0.04 -0.78 1.61 -0.36 0.00 0.00 0.00 175.10 175.61 1jxf s PHE 43 N 1.54 2.51 -0.49 5.22 0.40 -1.26 -3.27 117.98 122.62 1jxf s PHE 43 Ca 0.04 0.41 -0.11 0.00 -0.60 0.00 0.00 56.93 56.66 1jxf s PHE 43 Cb -0.28 -3.92 0.12 0.00 0.51 0.00 0.00 43.02 39.46 1jxf s PHE 43 CO 0.03 -3.63 0.39 0.00 0.70 0.00 0.00 175.22 172.71 1jxf s ALA 44 N 2.56 3.47 -0.81 5.36 0.00 0.11 -4.91 121.76 127.54 1jxf s ALA 44 Ca 0.72 -2.54 -0.27 0.00 0.00 0.00 0.00 51.96 49.87 1jxf s ALA 44 Cb -0.39 -2.96 -0.18 0.00 0.00 0.00 0.00 23.12 19.60 1jxf s ALA 44 CO 0.31 -1.94 2.53 0.00 0.00 0.00 0.00 175.76 176.66 1jxf n ALA 45 N 5.01 0.54 -2.99 0.00 0.00 -1.26 -3.69 120.51 118.12 1jxf n ALA 45 Ca -0.10 -0.64 -0.26 0.00 0.00 0.00 0.00 53.44 52.44 1jxf n ALA 45 Cb 0.40 -2.68 -0.04 0.00 0.00 0.00 0.00 19.45 17.14 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 12.45 4.01 0.00 0.00 8.00 -1.26 -4.72 116.55 135.03 1jxf n ASP 46 Ca 0.55 -3.59 0.00 0.00 0.71 0.00 0.00 54.79 52.46 1jxf n ASP 46 Cb 0.25 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 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 -0.13 1.88 4.01 0.44 0.00 -1.26 -4.79 105.19 105.33 1jxf n GLY 47 Ca 0.30 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.75 2.00 0.15 1.61 0.11 -1.26 -4.87 120.40 116.39 1jxf s VAL 48 Ca 0.00 -1.12 -0.26 0.00 -2.93 0.00 0.00 61.98 57.68 1jxf s VAL 48 Cb 0.00 -2.11 -0.08 0.00 -1.53 0.00 0.00 36.38 32.66 1jxf s VAL 48 CO 0.00 0.00 0.79 -1.81 -3.33 0.00 0.00 175.10 170.75 1jxf s ASP 49 N -4.59 7.39 0.11 3.54 1.01 -1.26 -4.86 116.67 118.01 1jxf s ASP 49 Ca 0.55 1.64 -0.24 0.00 0.71 0.00 0.00 52.55 55.22 1jxf s ASP 49 Cb -0.05 -2.50 -0.07 0.00 1.01 0.00 0.00 42.92 41.30 1jxf s ASP 49 CO 0.35 0.18 1.68 0.00 0.21 0.00 0.00 175.17 177.58 1jxf h ALA 50 N 4.52 -0.17 -0.55 5.23 0.00 -1.97 -0.43 119.26 125.89 1jxf h ALA 50 Ca -0.46 0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.55 1jxf h ALA 50 Cb 1.21 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 19.14 1jxf h ALA 50 CO 0.67 -0.63 -0.36 -0.44 0.00 0.00 0.00 179.25 178.48 1jxf h ASP 51 N -0.24 -1.25 -0.72 0.00 5.19 -1.98 1.40 116.42 118.83 1jxf h ASP 51 Ca 0.05 0.23 0.11 0.00 -0.62 0.00 0.00 57.03 56.79 1jxf h ASP 51 Cb 0.30 0.59 -0.05 0.00 0.18 0.00 0.00 39.33 40.35 1jxf h ASP 51 CO -0.14 -0.32 0.48 0.74 -3.12 0.00 0.00 179.24 176.88 1jxf h THR 52 N -0.20 0.90 0.00 0.35 2.02 -1.83 0.40 112.91 114.55 1jxf h THR 52 Ca 0.20 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 67.11 1jxf h THR 52 Cb 0.56 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1jxf h THR 52 CO -0.65 0.10 -0.36 0.00 0.37 0.00 0.00 175.52 174.98 1jxf h ALA 53 N 1.64 0.85 0.00 6.16 0.00 0.21 -2.44 119.26 125.68 1jxf h ALA 53 Ca 0.34 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1jxf h ALA 53 Cb 0.55 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1jxf h ALA 53 CO -0.12 0.45 -0.29 0.00 0.00 0.00 0.00 179.25 179.29 1jxf h ALA 54 N 1.64 1.33 0.16 0.00 0.00 0.60 0.85 119.26 123.84 1jxf h ALA 54 Ca -0.00 -0.26 -0.33 0.00 0.00 0.00 0.00 54.91 54.31 1jxf h ALA 54 Cb 1.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1jxf h ALA 54 CO 0.05 0.36 -1.66 0.87 0.00 0.00 0.00 179.25 178.87 1jxf h LYS 55 N 0.00 0.35 -0.02 0.00 6.56 -1.20 -3.25 116.57 119.01 1jxf h LYS 55 Ca -0.00 -0.60 0.00 0.00 -1.06 0.00 0.00 60.65 58.99 1jxf h LYS 55 Cb 0.58 0.22 0.00 0.00 -0.57 0.00 0.00 32.23 32.46 1jxf h LYS 55 CO 0.04 1.24 0.00 1.28 -2.06 0.00 0.00 179.45 179.95 1jxf n LEU 56 N -3.54 0.76 -4.85 2.94 4.32 -0.94 -4.76 117.00 110.93 1jxf n LEU 56 Ca -0.21 -0.26 -0.32 0.00 -0.02 0.00 0.00 56.01 55.20 1jxf n LEU 56 Cb 1.07 -0.01 -0.04 0.00 -1.62 0.00 0.00 43.42 42.82 1jxf n LEU 56 CO 0.52 0.13 0.60 -0.44 -1.22 0.00 0.00 177.39 176.97 1jxf s SER 57 N -1.96 6.65 -0.27 -1.43 0.01 0.29 -4.41 113.70 112.58 1jxf s SER 57 Ca 0.42 1.45 -0.02 0.00 1.31 0.00 0.00 55.95 59.11 1jxf s SER 57 Cb 0.21 -2.46 0.12 0.00 0.21 0.00 0.00 66.02 64.10 1jxf s SER 57 CO 0.34 -0.48 0.24 -1.00 0.41 0.00 0.00 173.24 172.75 1jxf s HIS 58 N -2.45 -0.22 -0.08 2.43 3.76 0.56 -4.93 115.29 114.36 1jxf s HIS 58 Ca 0.57 -0.29 0.21 0.00 -0.15 0.00 0.00 55.06 55.39 1jxf s HIS 58 Cb -0.10 -0.56 0.43 0.00 1.11 0.00 0.00 32.58 33.46 1jxf s HIS 58 CO 0.28 -0.84 1.19 1.63 -0.85 0.00 0.00 174.74 176.14 1jxf n LYS 59 N 5.30 0.63 -0.28 1.40 5.02 -1.26 -2.81 118.16 126.16 1jxf n LYS 59 Ca -0.04 -2.51 0.04 0.00 -2.02 0.00 0.00 58.31 53.78 1jxf n LYS 59 Cb 0.46 -0.62 0.16 0.00 -0.02 0.00 0.00 35.03 35.00 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 -0.10 1.41 0.30 0.72 0.00 -1.26 -5.01 105.19 101.26 1jxf n GLY 60 Ca 0.11 -0.37 0.04 0.00 0.00 0.00 0.00 46.02 45.80 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 0.33 -0.22 -3.48 0.99 7.99 -1.26 -4.97 117.00 116.38 1jxf n LEU 61 Ca 0.11 0.50 -0.19 0.00 -0.01 0.00 0.00 56.01 56.42 1jxf n LEU 61 Cb 0.48 -0.68 -0.12 0.00 -0.11 0.00 0.00 43.42 42.99 1jxf n LEU 61 CO 0.11 -0.47 -0.21 0.00 -1.51 0.00 0.00 177.39 175.30 1jxf s ALA 62 N -3.15 -0.21 -0.36 -1.18 0.00 -1.26 -4.95 121.76 110.65 1jxf s ALA 62 Ca 0.00 -0.06 0.12 0.00 0.00 0.00 0.00 51.96 52.02 1jxf s ALA 62 Cb 0.00 -1.45 0.41 0.00 0.00 0.00 0.00 23.12 22.08 1jxf s ALA 62 CO 0.00 -1.39 1.42 1.19 0.00 0.00 0.00 175.76 176.98 1jxf n PHE 63 N 5.31 -1.95 -3.45 0.00 3.72 -1.26 -4.21 117.46 115.62 1jxf n PHE 63 Ca -0.05 -1.87 -0.21 0.00 -0.05 0.00 0.00 57.45 55.27 1jxf n PHE 63 Cb 0.48 1.41 -0.12 0.00 -0.94 0.00 0.00 39.48 40.32 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 -0.17 -0.07 -0.17 4.37 0.00 -1.26 -5.10 121.76 119.36 1jxf s ALA 64 Ca 0.16 -0.58 -0.35 0.00 0.00 0.00 0.00 51.96 51.19 1jxf s ALA 64 Cb 0.42 -1.64 -0.12 0.00 0.00 0.00 0.00 23.12 21.78 1jxf s ALA 64 CO -0.10 -1.68 1.94 0.00 0.00 0.00 0.00 175.76 175.92 1jxf n ALA 65 N 5.29 0.83 0.00 0.00 0.00 -1.26 -1.72 120.51 123.64 1jxf n ALA 65 Ca -0.04 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1jxf n ALA 65 Cb 0.45 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.40 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 4.81 1.65 3.33 0.00 0.00 -1.26 -5.10 105.19 108.61 1jxf n GLY 66 Ca 0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.30 3.38 -0.12 1.61 2.02 -0.70 -5.07 118.70 119.52 1jxf s GLU 67 Ca 0.00 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.35 1jxf s GLU 67 Cb 0.00 -2.88 0.02 0.00 0.10 0.00 0.00 34.13 31.37 1jxf s GLU 67 CO 0.00 -0.06 -0.12 -1.54 0.02 0.00 0.00 175.26 173.56 1jxf s SER 68 N 1.11 2.41 0.85 -0.19 1.04 -1.26 -3.49 113.70 114.17 1jxf s SER 68 Ca 0.01 -0.40 -0.13 0.00 0.48 0.00 0.00 55.95 55.91 1jxf s SER 68 Cb -0.15 -1.02 0.11 0.00 0.10 0.00 0.00 66.02 65.06 1jxf s SER 68 CO -0.01 -0.06 1.19 -0.36 0.98 0.00 0.00 173.24 174.98 1jxf s PHE 69 N 1.43 2.66 -0.01 5.02 0.08 -0.49 -4.77 117.98 121.90 1jxf s PHE 69 Ca 0.02 0.71 -0.05 0.00 0.12 0.00 0.00 56.93 57.72 1jxf s PHE 69 Cb -0.13 -3.56 0.00 0.00 -0.57 0.00 0.00 43.02 38.76 1jxf s PHE 69 CO -0.07 -2.03 0.11 0.99 -0.10 0.00 0.00 175.22 174.12 1jxf s THR 70 N -3.56 0.06 -0.02 0.64 2.01 -1.26 -0.60 115.64 112.91 1jxf s THR 70 Ca 0.64 -0.53 -0.05 0.00 0.31 0.00 0.00 61.69 62.07 1jxf s THR 70 Cb -0.11 -0.34 0.00 0.00 0.01 0.00 0.00 72.50 72.07 1jxf s THR 70 CO 0.50 -0.29 0.11 -0.94 -0.69 0.00 0.00 174.62 173.31 1jxf s SER 71 N -0.98 -0.01 -0.07 3.53 1.04 -0.17 -4.87 113.70 112.17 1jxf s SER 71 Ca -0.11 -0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.31 1jxf s SER 71 Cb -0.06 0.21 -0.02 0.00 0.10 0.00 0.00 66.02 66.25 1jxf s SER 71 CO 0.01 -0.22 -0.20 -0.89 0.98 0.00 0.00 173.24 172.92 1jxf s THR 72 N -0.77 2.53 -0.97 2.02 2.01 -1.26 0.39 115.64 119.60 1jxf s THR 72 Ca -0.09 -0.89 -0.07 0.00 0.31 0.00 0.00 61.69 60.96 1jxf s THR 72 Cb -0.05 -1.97 0.24 0.00 0.01 0.00 0.00 72.50 70.73 1jxf s THR 72 CO 0.01 0.57 0.91 -0.36 -0.69 0.00 0.00 174.62 175.05 1jxf s PHE 73 N -0.23 4.02 0.00 4.92 0.40 -1.12 -4.69 117.98 121.27 1jxf s PHE 73 Ca -0.01 -2.73 0.00 0.00 -0.60 0.00 0.00 56.93 53.59 1jxf s PHE 73 Cb -0.13 -3.58 0.00 0.00 0.51 0.00 0.00 43.02 39.82 1jxf s PHE 73 CO 0.03 -0.87 0.99 0.25 0.70 0.00 0.00 175.22 176.32 1jxf n THR 74 N 2.77 0.00 -3.13 0.64 -2.24 -1.26 -2.76 114.28 108.30 1jxf n THR 74 Ca 0.21 1.49 -0.37 0.00 -2.27 0.00 0.00 64.05 63.11 1jxf n THR 74 Cb 0.39 -2.31 -0.06 0.00 -2.10 0.00 0.00 70.33 66.25 1jxf n THR 74 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1jxf s GLU 75 N -2.97 4.28 -0.16 -0.78 8.01 -1.26 -3.90 118.70 121.92 1jxf s GLU 75 Ca 0.00 0.87 -0.29 0.00 0.01 0.00 0.00 54.97 55.56 1jxf s GLU 75 Cb 0.00 -3.02 -0.02 0.00 -4.31 0.00 0.00 34.13 26.78 1jxf s GLU 75 CO 0.00 0.48 1.27 -1.25 0.01 0.00 0.00 175.26 175.77 1jxf s PRO 76 N -1.67 4.24 0.00 0.39 0.04 -1.26 -4.88 135.00 131.86 1jxf s PRO 76 Ca 0.39 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1jxf s PRO 76 Cb -0.18 -3.76 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1jxf s PRO 76 CO 0.22 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 176.97 1jxf n GLY 77 N 3.61 2.96 2.84 0.56 0.00 -1.13 -4.90 105.19 109.13 1jxf n GLY 77 Ca 0.14 -0.07 -0.17 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 0.36 -0.26 -0.34 2.61 2.01 -1.26 -1.85 115.64 116.91 1jxf s THR 78 Ca 0.00 0.35 -0.03 0.00 0.31 0.00 0.00 61.69 62.32 1jxf s THR 78 Cb 0.00 -0.30 0.07 0.00 0.01 0.00 0.00 72.50 72.28 1jxf s THR 78 CO 0.00 0.15 0.08 -0.31 -0.69 0.00 0.00 174.62 173.85 1jxf s TYR 79 N 2.30 3.37 -0.44 4.92 1.51 -1.05 -4.21 117.35 123.74 1jxf s TYR 79 Ca 0.03 -1.96 -0.23 0.00 -1.01 0.00 0.00 57.07 53.90 1jxf s TYR 79 Cb -0.12 -2.49 0.02 0.00 -0.11 0.00 0.00 41.96 39.27 1jxf s TYR 79 CO -0.06 -0.84 0.79 0.99 -1.11 0.00 0.00 175.55 175.32 1jxf s THR 80 N 1.24 4.65 -0.12 -0.71 2.01 -1.24 -2.90 115.64 118.57 1jxf s THR 80 Ca -0.00 0.48 0.00 0.00 0.31 0.00 0.00 61.69 62.47 1jxf s THR 80 Cb -0.21 -4.31 -0.02 0.00 0.01 0.00 0.00 72.50 67.97 1jxf s THR 80 CO -0.01 -0.70 -0.13 -0.72 -0.69 0.00 0.00 174.62 172.37 1jxf s TYR 81 N 3.29 2.81 0.29 4.92 1.13 0.01 0.09 117.35 129.89 1jxf s TYR 81 Ca 0.30 -0.55 0.03 0.00 -1.41 0.00 0.00 57.07 55.44 1jxf s TYR 81 Cb -0.12 -1.82 -0.06 0.00 -1.10 0.00 0.00 41.96 38.86 1jxf s TYR 81 CO 0.22 -0.14 0.06 1.52 -2.51 0.00 0.00 175.55 174.70 1jxf s TYR 82 N 0.20 1.75 0.02 -3.49 -0.85 -1.20 -0.58 117.35 113.20 1jxf s TYR 82 Ca -0.08 -1.03 -0.30 0.00 -0.52 0.00 0.00 57.07 55.14 1jxf s TYR 82 Cb -0.15 -1.09 -0.04 0.00 0.38 0.00 0.00 41.96 41.06 1jxf s TYR 82 CO 0.05 -0.12 1.08 0.00 -1.52 0.00 0.00 175.55 175.04 1jxf h GLU 84 N 6.85 -0.17 0.00 0.00 4.81 -1.94 1.47 114.58 125.59 1jxf h GLU 84 Ca -0.40 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1jxf h GLU 84 Cb 1.21 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1jxf h GLU 84 CO 0.78 0.02 0.00 -0.35 -0.73 0.00 0.00 179.01 178.73 1jxf n PRO 85 N -5.10 0.13 -2.79 0.92 -0.04 -1.26 -3.47 135.00 123.39 1jxf n PRO 85 Ca -0.09 0.23 -0.13 0.00 -0.04 0.00 0.00 63.50 63.48 1jxf n PRO 85 Cb 0.16 -1.69 0.01 0.00 -0.04 0.00 0.00 33.50 31.94 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 -1.92 1.17 0.23 0.54 8.25 -0.96 -4.93 115.22 117.60 1jxf n HIS 86 Ca 0.04 -3.11 -0.13 0.00 -0.26 0.00 0.00 57.72 54.26 1jxf n HIS 86 Cb 0.30 -0.37 -0.07 0.00 1.12 0.00 0.00 29.99 30.96 1jxf n HIS 86 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jxf h ARG 87 N 2.97 -0.59 -1.90 -0.41 3.08 0.20 -3.26 114.38 114.47 1jxf h ARG 87 Ca -0.01 0.04 -0.74 0.00 0.07 0.00 0.00 59.98 59.34 1jxf h ARG 87 Cb 1.09 0.13 -0.26 0.00 0.08 0.00 0.00 29.97 31.01 1jxf h ARG 87 CO 0.54 -0.28 0.99 0.41 -1.07 0.00 0.00 179.97 180.56 1jxf n GLY 88 N -0.35 5.46 2.43 0.04 0.00 -1.26 -4.36 105.19 107.15 1jxf n GLY 88 Ca -0.10 -2.41 -0.18 0.00 0.00 0.00 0.00 46.02 43.33 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 -0.46 4.32 -3.96 4.61 0.00 -1.23 -4.93 120.51 118.86 1jxf n ALA 89 Ca 0.54 -3.67 -0.32 0.00 0.00 0.00 0.00 53.44 49.99 1jxf n ALA 89 Cb 0.30 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 -0.49 -0.48 2.66 0.00 0.00 -1.26 -4.93 105.19 100.69 1jxf n GLY 90 Ca 0.30 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 46.18 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 -6.66 0.56 0.24 1.61 0.00 -1.26 -4.80 119.30 108.99 1jxf s MET 91 Ca 0.67 -0.94 -0.06 0.00 0.00 0.00 0.00 55.69 55.35 1jxf s MET 91 Cb -0.35 -1.71 -0.02 0.00 0.00 0.00 0.00 34.83 32.75 1jxf s MET 91 CO 0.82 -1.01 0.32 0.08 0.00 0.00 0.00 175.02 175.23 1jxf s VAL 92 N 1.71 0.00 -0.16 10.11 1.01 -1.26 -3.49 120.40 128.31 1jxf s VAL 92 Ca 0.10 -1.70 -0.14 0.00 0.00 0.00 0.00 61.98 60.24 1jxf s VAL 92 Cb -0.17 -2.39 0.04 0.00 0.00 0.00 0.00 36.38 33.86 1jxf s VAL 92 CO -0.27 0.00 0.43 -0.83 0.00 0.00 0.00 175.10 174.43 1jxf s GLY 93 N -3.12 -0.32 -0.17 4.51 0.00 0.26 -4.47 107.32 104.00 1jxf s GLY 93 Ca 0.31 1.27 0.00 0.00 0.00 0.00 0.00 44.72 46.31 1jxf s GLY 93 CO 0.12 1.16 -0.09 1.25 0.00 0.00 0.00 173.10 175.55 1jxf s LYS 94 N 0.44 1.81 -0.15 2.90 2.20 -0.86 -0.81 119.74 125.28 1jxf s LYS 94 Ca -0.02 -0.65 -0.06 0.00 -0.36 0.00 0.00 55.97 54.88 1jxf s LYS 94 Cb -0.04 -2.18 -0.04 0.00 -1.51 0.00 0.00 37.83 34.07 1jxf s LYS 94 CO -0.02 -0.39 0.06 0.08 -0.36 0.00 0.00 175.35 174.71 1jxf s VAL 95 N 1.51 4.76 -0.12 4.02 1.01 -1.14 -3.55 120.40 126.89 1jxf s VAL 95 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 1jxf s VAL 95 Cb -0.15 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 1jxf s VAL 95 CO -0.08 0.51 -0.07 -0.69 0.00 0.00 0.00 175.10 174.76 1jxf s VAL 96 N -0.05 3.59 -0.00 2.92 1.01 -0.76 -2.54 120.40 124.57 1jxf s VAL 96 Ca 0.06 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.60 1jxf s VAL 96 Cb -0.12 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 1jxf s VAL 96 CO 0.01 0.53 -0.14 -0.69 0.00 0.00 0.00 175.10 174.81 1jxf s VAL 97 N 0.00 1.12 0.00 2.92 1.01 -0.77 -1.93 120.40 122.76 1jxf s VAL 97 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1jxf s VAL 97 Cb -0.14 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.30 1jxf s VAL 97 CO 0.03 0.26 0.17 0.47 0.00 0.00 0.00 175.10 176.04