#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxf n ASN 2 N 0.00 -1.13 -4.08 0.00 0.23 -1.26 -4.85 115.26 104.18 1jxf n ASN 2 Ca 0.00 -3.03 -0.17 0.00 -0.53 0.00 0.00 54.58 50.84 1jxf n ASN 2 Cb 0.00 2.25 -0.13 0.00 -2.08 0.00 0.00 39.78 39.82 1jxf n ASN 2 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jxf s ALA 3 N -3.01 0.84 -0.09 -2.53 0.00 -1.20 -4.94 121.76 110.82 1jxf s ALA 3 Ca 0.34 -0.65 -0.04 0.00 0.00 0.00 0.00 51.96 51.61 1jxf s ALA 3 Cb 0.00 -0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.05 1jxf s ALA 3 CO 0.24 0.14 0.20 0.99 0.00 0.00 0.00 175.76 177.33 1jxf s THR 4 N -0.77 -0.06 -0.09 0.00 2.01 -1.26 -2.06 115.64 113.41 1jxf s THR 4 Ca -0.01 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.17 1jxf s THR 4 Cb -0.07 -0.32 0.02 0.00 0.01 0.00 0.00 72.50 72.14 1jxf s THR 4 CO 0.01 0.07 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.23 1jxf s VAL 5 N 1.27 0.99 0.37 3.82 1.01 -0.65 -4.57 120.40 122.64 1jxf s VAL 5 Ca -0.09 -0.32 -0.24 0.00 0.00 0.00 0.00 61.98 61.33 1jxf s VAL 5 Cb -0.11 -0.97 -0.10 0.00 0.00 0.00 0.00 36.38 35.20 1jxf s VAL 5 CO -0.07 0.35 0.98 -1.59 0.00 0.00 0.00 175.10 174.76 1jxf s LYS 6 N 1.28 4.38 0.12 2.72 -2.85 -0.96 -3.08 119.74 121.35 1jxf s LYS 6 Ca -0.03 1.36 -0.32 0.00 -1.00 0.00 0.00 55.97 55.97 1jxf s LYS 6 Cb -0.14 -2.60 -0.10 0.00 -2.06 0.00 0.00 37.83 32.93 1jxf s LYS 6 CO -0.03 0.08 1.57 0.52 0.10 0.00 0.00 175.35 177.58 1jxf h MET 7 N 2.71 -0.57 0.00 1.78 2.86 -1.25 -3.33 114.93 117.13 1jxf h MET 7 Ca -0.48 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 1jxf h MET 7 Cb 1.20 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.99 1jxf h MET 7 CO 0.63 -0.38 0.00 0.41 1.06 0.00 0.00 176.91 178.63 1jxf n GLY 8 N -1.45 1.74 3.30 8.32 0.00 -1.25 -4.04 105.19 111.82 1jxf n GLY 8 Ca -0.06 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 1.00 -0.22 -1.34 1.61 1.04 -0.99 -4.31 113.70 110.48 1jxf s SER 9 Ca 0.00 -0.17 -0.11 0.00 0.48 0.00 0.00 55.95 56.16 1jxf s SER 9 Cb 0.00 0.43 0.12 0.00 0.10 0.00 0.00 66.02 66.67 1jxf s SER 9 CO 0.00 -0.72 2.03 -0.90 0.98 0.00 0.00 173.24 174.63 1jxf n ASP 10 N 0.25 4.89 0.00 7.02 5.75 -1.26 -4.21 116.55 128.99 1jxf n ASP 10 Ca -0.18 -3.02 0.00 0.00 -0.01 0.00 0.00 54.79 51.59 1jxf n ASP 10 Cb 0.61 -1.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.17 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 4.46 0.00 0.00 -1.12 2.88 -1.26 -5.05 113.62 113.53 1jxf n SER 11 Ca 0.45 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 1jxf n SER 11 Cb 0.36 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 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 -1.09 0.00 2.88 0.46 0.00 -1.26 -5.01 105.19 101.16 1jxf n GLY 12 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.04 -0.58 4.61 0.00 -1.26 -4.98 121.76 119.58 1jxf s ALA 13 Ca 0.00 -0.03 -0.18 0.00 0.00 0.00 0.00 51.96 51.75 1jxf s ALA 13 Cb 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 23.12 23.22 1jxf s ALA 13 CO 0.00 0.01 0.65 -0.48 0.00 0.00 0.00 175.76 175.94 1jxf s LEU 14 N -0.04 5.57 -0.08 0.00 0.05 -1.26 -2.36 118.68 120.57 1jxf s LEU 14 Ca -0.00 -1.51 -0.04 0.00 0.05 0.00 0.00 54.13 52.63 1jxf s LEU 14 Cb -0.00 -2.28 0.04 0.00 -2.05 0.00 0.00 46.19 41.89 1jxf s LEU 14 CO -0.00 -1.05 0.19 0.68 -0.55 0.00 0.00 176.35 175.62 1jxf s VAL 15 N 2.42 -0.04 -0.37 1.48 -7.23 -1.26 -4.84 120.40 110.55 1jxf s VAL 15 Ca 0.09 0.13 -0.29 0.00 -1.81 0.00 0.00 61.98 60.11 1jxf s VAL 15 Cb -0.25 -0.29 0.01 0.00 0.56 0.00 0.00 36.38 36.41 1jxf s VAL 15 CO 0.06 0.05 1.23 -0.36 -0.31 0.00 0.00 175.10 175.77 1jxf s PHE 16 N 0.99 2.76 -0.05 2.82 0.08 -1.26 -3.77 117.98 119.55 1jxf s PHE 16 Ca -0.07 0.86 -0.03 0.00 0.12 0.00 0.00 56.93 57.80 1jxf s PHE 16 Cb -0.09 -4.09 0.03 0.00 -0.57 0.00 0.00 43.02 38.30 1jxf s PHE 16 CO -0.06 -1.45 0.12 -1.21 -0.10 0.00 0.00 175.22 172.52 1jxf s GLU 17 N 4.29 0.09 0.11 0.44 2.02 -1.25 -1.81 118.70 122.59 1jxf s GLU 17 Ca 0.53 0.28 -0.30 0.00 0.02 0.00 0.00 54.97 55.49 1jxf s GLU 17 Cb -0.12 -0.11 -0.06 0.00 0.10 0.00 0.00 34.13 33.93 1jxf s GLU 17 CO 0.26 -0.12 1.15 -1.25 0.02 0.00 0.00 175.26 175.31 1jxf s PRO 18 N 0.81 4.51 0.39 0.39 0.04 -1.26 -2.26 135.00 137.61 1jxf s PRO 18 Ca -0.06 1.73 0.18 0.00 0.04 0.00 0.00 61.00 62.89 1jxf s PRO 18 Cb -0.08 -3.32 1.09 0.00 0.04 0.00 0.00 34.50 32.23 1jxf s PRO 18 CO -0.04 -0.10 1.76 0.66 0.04 0.00 0.00 177.00 179.32 1jxf h SER 19 N 6.04 0.46 -3.86 6.66 4.64 -1.69 -3.38 113.55 122.42 1jxf h SER 19 Ca -0.43 0.09 -0.51 0.00 -0.47 0.00 0.00 61.79 60.48 1jxf h SER 19 Cb 1.21 0.02 -0.31 0.00 -0.31 0.00 0.00 62.40 63.01 1jxf h SER 19 CO 0.77 0.08 -0.82 -0.89 -0.87 0.00 0.00 176.83 175.10 1jxf s THR 20 N -5.51 1.17 0.09 2.95 2.01 -1.26 -1.71 115.64 113.38 1jxf s THR 20 Ca -0.09 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.34 1jxf s THR 20 Cb 0.26 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 1jxf s THR 20 CO 0.80 0.35 -0.02 0.68 -0.69 0.00 0.00 174.62 175.73 1jxf s VAL 21 N 0.11 0.38 -0.25 3.82 -7.23 -1.21 -5.04 120.40 110.98 1jxf s VAL 21 Ca -0.04 -1.88 -0.00 0.00 -1.81 0.00 0.00 61.98 58.25 1jxf s VAL 21 Cb -0.10 -1.74 0.07 0.00 0.56 0.00 0.00 36.38 35.17 1jxf s VAL 21 CO 0.01 -0.80 0.01 -0.89 -0.31 0.00 0.00 175.10 173.12 1jxf s THR 22 N -3.83 1.24 0.02 5.32 2.01 -1.26 -2.40 115.64 116.74 1jxf s THR 22 Ca 0.14 -1.23 0.03 0.00 0.31 0.00 0.00 61.69 60.94 1jxf s THR 22 Cb 0.07 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 1jxf s THR 22 CO -0.05 -0.30 -0.05 -0.51 -0.69 0.00 0.00 174.62 173.02 1jxf s ILE 23 N 1.50 3.72 0.93 1.82 -1.16 -0.66 -4.90 121.20 122.45 1jxf s ILE 23 Ca 0.00 -0.82 -0.12 0.00 -0.51 0.00 0.00 60.65 59.20 1jxf s ILE 23 Cb -0.18 -2.65 0.15 0.00 0.61 0.00 0.00 42.46 40.39 1jxf s ILE 23 CO -0.11 0.34 1.12 -0.54 -2.81 0.00 0.00 174.94 172.94 1jxf s LYS 24 N -1.59 1.01 0.30 3.50 1.02 -1.26 -3.71 119.74 119.01 1jxf s LYS 24 Ca 0.19 0.37 -0.28 0.00 0.02 0.00 0.00 55.97 56.27 1jxf s LYS 24 Cb -0.11 -1.82 -0.09 0.00 -0.52 0.00 0.00 37.83 35.29 1jxf s LYS 24 CO 0.09 -2.30 1.02 0.00 -0.92 0.00 0.00 175.35 173.25 1jxf s ALA 25 N -3.19 3.31 0.00 5.17 0.00 -1.26 -2.89 121.76 122.90 1jxf s ALA 25 Ca 0.64 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1jxf s ALA 25 Cb -0.16 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1jxf s ALA 25 CO 0.54 -0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.69 1jxf n GLY 26 N 1.04 2.47 3.90 0.00 0.00 -1.14 -5.01 105.19 106.46 1jxf n GLY 26 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.12 2.10 0.34 1.61 -6.30 -1.14 -4.82 118.70 110.37 1jxf s GLU 27 Ca 0.00 0.08 0.09 0.00 -2.50 0.00 0.00 54.97 52.65 1jxf s GLU 27 Cb 0.00 -2.00 -0.06 0.00 0.00 0.00 0.00 34.13 32.07 1jxf s GLU 27 CO 0.00 -1.47 -0.09 -1.83 0.02 0.00 0.00 175.26 171.89 1jxf s GLU 28 N -5.50 1.84 -0.04 4.30 1.03 -1.26 -2.59 118.70 116.49 1jxf s GLU 28 Ca 0.61 -1.92 0.02 0.00 0.03 0.00 0.00 54.97 53.71 1jxf s GLU 28 Cb -0.11 -1.73 0.02 0.00 -0.80 0.00 0.00 34.13 31.51 1jxf s GLU 28 CO 0.48 0.14 -0.07 0.08 -1.33 0.00 0.00 175.26 174.57 1jxf s VAL 29 N -2.60 0.70 -0.00 1.83 1.01 0.37 -3.27 120.40 118.43 1jxf s VAL 29 Ca 0.33 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1jxf s VAL 29 Cb 0.02 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1jxf s VAL 29 CO 0.17 0.25 0.05 -0.75 0.00 0.00 0.00 175.10 174.82 1jxf s LYS 30 N 0.69 2.97 -0.19 2.72 2.20 -0.87 -1.58 119.74 125.68 1jxf s LYS 30 Ca -0.11 -0.53 0.01 0.00 -0.36 0.00 0.00 55.97 54.99 1jxf s LYS 30 Cb -0.13 -2.80 0.03 0.00 -1.51 0.00 0.00 37.83 33.42 1jxf s LYS 30 CO 0.01 0.64 -0.14 -1.58 -0.36 0.00 0.00 175.35 173.92 1jxf s TRP 31 N -1.15 2.61 0.31 4.03 0.51 -0.97 -1.63 118.94 122.64 1jxf s TRP 31 Ca 0.22 -1.66 -0.17 0.00 -2.12 0.00 0.00 56.10 52.37 1jxf s TRP 31 Cb -0.12 -1.76 -0.09 0.00 -0.81 0.00 0.00 33.47 30.69 1jxf s TRP 31 CO 0.12 -0.77 0.76 0.08 -0.51 0.00 0.00 176.95 176.64 1jxf s VAL 32 N 1.34 4.60 0.66 4.03 1.01 -1.18 -1.88 120.40 128.98 1jxf s VAL 32 Ca 0.01 1.13 -0.13 0.00 0.00 0.00 0.00 61.98 62.99 1jxf s VAL 32 Cb -0.15 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1jxf s VAL 32 CO -0.10 -0.08 1.06 0.21 0.00 0.00 0.00 175.10 176.19 1jxf s ASN 33 N -2.07 5.55 0.16 3.32 3.84 -1.25 -0.84 114.94 123.65 1jxf s ASN 33 Ca 0.52 1.68 -0.02 0.00 0.21 0.00 0.00 52.86 55.25 1jxf s ASN 33 Cb -0.12 -2.51 0.01 0.00 -0.55 0.00 0.00 41.25 38.08 1jxf s ASN 33 CO 0.18 -1.32 0.24 0.59 -2.79 0.00 0.00 177.10 174.00 1jxf n ASN 34 N -2.72 -0.67 -3.63 -4.21 4.13 -1.26 -4.66 115.26 102.25 1jxf n ASN 34 Ca 0.08 -1.82 -0.28 0.00 1.68 0.00 0.00 54.58 54.24 1jxf n ASN 34 Cb 0.53 1.22 0.21 0.00 -1.54 0.00 0.00 39.78 40.20 1jxf n ASN 34 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1jxf n LYS 35 N -0.25 -2.14 -2.16 3.52 4.76 -1.26 -4.16 118.16 116.46 1jxf n LYS 35 Ca -0.00 -1.78 -0.14 0.00 -2.87 0.00 0.00 58.31 53.51 1jxf n LYS 35 Cb 0.26 -1.42 -0.01 0.00 -1.84 0.00 0.00 35.03 32.02 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 -1.58 -4.82 -0.35 7.99 -1.26 -4.75 117.00 112.23 1jxf n LEU 36 Ca 0.15 0.03 -0.31 0.00 -0.01 0.00 0.00 56.01 55.88 1jxf n LEU 36 Cb 0.55 -2.17 0.06 0.00 -0.11 0.00 0.00 43.42 41.75 1jxf n LEU 36 CO 0.39 -0.23 0.71 -0.94 -1.51 0.00 0.00 177.39 175.81 1jxf s SER 37 N -2.42 5.06 0.75 -1.43 1.04 -1.26 -4.47 113.70 110.98 1jxf s SER 37 Ca 0.00 1.49 -0.11 0.00 0.48 0.00 0.00 55.95 57.81 1jxf s SER 37 Cb 0.00 -2.32 0.04 0.00 0.10 0.00 0.00 66.02 63.84 1jxf s SER 37 CO 0.00 -1.63 1.08 -2.16 0.98 0.00 0.00 173.24 171.51 1jxf s PRO 38 N -5.09 2.46 -0.30 4.02 0.04 -1.26 -5.13 135.00 129.74 1jxf s PRO 38 Ca 0.59 0.77 -0.00 0.00 0.04 0.00 0.00 61.00 62.40 1jxf s PRO 38 Cb -0.14 -1.95 0.10 0.00 0.04 0.00 0.00 34.50 32.54 1jxf s PRO 38 CO 0.55 -1.39 0.08 -1.01 0.04 0.00 0.00 177.00 175.26 1jxf s HIS 39 N -3.11 1.91 0.80 0.56 3.76 -1.26 -5.01 115.29 112.94 1jxf s HIS 39 Ca 0.60 -1.81 -0.12 0.00 -0.15 0.00 0.00 55.06 53.58 1jxf s HIS 39 Cb -0.14 -1.79 0.07 0.00 1.11 0.00 0.00 32.58 31.84 1jxf s HIS 39 CO 0.55 -0.86 1.15 -0.80 -0.85 0.00 0.00 174.74 173.92 1jxf s ASN 40 N 1.55 4.55 -0.29 1.40 -0.87 -1.26 -4.48 114.94 115.54 1jxf s ASN 40 Ca 0.08 0.91 -0.03 0.00 -1.57 0.00 0.00 52.86 52.26 1jxf s ASN 40 Cb -0.17 -1.49 0.11 0.00 -0.02 0.00 0.00 41.25 39.68 1jxf s ASN 40 CO -0.21 -1.89 0.19 -0.63 -2.57 0.00 0.00 177.10 171.99 1jxf s ILE 41 N -3.46 -0.17 -0.15 0.60 1.01 -1.26 -4.55 121.20 113.22 1jxf s ILE 41 Ca 0.61 -0.72 -0.00 0.00 0.00 0.00 0.00 60.65 60.54 1jxf s ILE 41 Cb -0.12 -0.98 -0.01 0.00 0.01 0.00 0.00 42.46 41.36 1jxf s ILE 41 CO 0.51 -0.66 -0.14 0.68 0.00 0.00 0.00 174.94 175.33 1jxf s VAL 42 N 2.13 2.86 -0.56 2.92 -7.23 -1.24 0.11 120.40 119.38 1jxf s VAL 42 Ca 0.10 -0.71 -0.15 0.00 -1.81 0.00 0.00 61.98 59.41 1jxf s VAL 42 Cb -0.16 -2.21 0.14 0.00 0.56 0.00 0.00 36.38 34.71 1jxf s VAL 42 CO -0.33 0.51 0.51 -0.36 -0.31 0.00 0.00 175.10 175.12 1jxf s PHE 43 N 0.63 3.33 -0.17 2.82 0.08 -1.26 -2.65 117.98 120.75 1jxf s PHE 43 Ca -0.08 -1.45 -0.29 0.00 0.12 0.00 0.00 56.93 55.24 1jxf s PHE 43 Cb -0.16 -3.76 -0.02 0.00 -0.57 0.00 0.00 43.02 38.52 1jxf s PHE 43 CO 0.03 -1.01 1.33 0.00 -0.10 0.00 0.00 175.22 175.47 1jxf s ALA 44 N 1.41 3.60 -0.93 5.36 0.00 -0.52 -4.70 121.76 125.98 1jxf s ALA 44 Ca 0.05 0.47 -0.22 0.00 0.00 0.00 0.00 51.96 52.26 1jxf s ALA 44 Cb -0.27 -3.67 -0.24 0.00 0.00 0.00 0.00 23.12 18.93 1jxf s ALA 44 CO 0.01 -1.32 2.45 0.00 0.00 0.00 0.00 175.76 176.90 1jxf n ALA 45 N 6.91 0.65 -3.89 0.00 0.00 -1.26 -4.24 120.51 118.68 1jxf n ALA 45 Ca 0.15 -0.63 -0.29 0.00 0.00 0.00 0.00 53.44 52.66 1jxf n ALA 45 Cb 0.45 -2.49 -0.13 0.00 0.00 0.00 0.00 19.45 17.27 1jxf n ALA 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jxf s ASP 46 N 6.22 4.27 0.00 0.00 1.01 -1.26 -4.69 116.67 122.22 1jxf s ASP 46 Ca 1.27 -3.18 0.00 0.00 0.71 0.00 0.00 52.55 51.35 1jxf s ASP 46 Cb -0.91 -1.52 0.00 0.00 1.01 0.00 0.00 42.92 41.50 1jxf s ASP 46 CO 0.46 -0.20 0.00 0.61 0.21 0.00 0.00 175.17 176.26 1jxf n GLY 47 N 2.86 3.26 3.99 0.21 0.00 -1.26 -4.52 105.19 109.72 1jxf n GLY 47 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.11 0.00 -1.52 1.61 3.14 -1.26 -4.74 118.33 114.45 1jxf n VAL 48 Ca 0.00 -2.04 -0.29 0.00 -2.96 0.00 0.00 64.34 59.05 1jxf n VAL 48 Cb 0.00 -0.39 0.13 0.00 -1.06 0.00 0.00 33.84 32.52 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 -4.61 3.55 -0.04 6.55 1.01 -1.26 -4.85 116.67 117.02 1jxf s ASP 49 Ca 0.56 1.00 -0.02 0.00 0.71 0.00 0.00 52.55 54.80 1jxf s ASP 49 Cb -0.04 -1.59 -0.01 0.00 1.01 0.00 0.00 42.92 42.29 1jxf s ASP 49 CO 0.35 -2.53 0.12 0.00 0.21 0.00 0.00 175.17 173.33 1jxf h ALA 50 N -1.48 -0.11 -1.03 5.23 0.00 -1.97 -2.58 119.26 117.33 1jxf h ALA 50 Ca -0.50 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 54.65 1jxf h ALA 50 Cb 1.33 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.05 1jxf h ALA 50 CO 0.62 -0.11 0.66 -0.44 0.00 0.00 0.00 179.25 179.98 1jxf h ASP 51 N -0.47 0.44 -0.55 0.00 3.32 -1.97 1.64 116.42 118.82 1jxf h ASP 51 Ca -0.01 0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 1jxf h ASP 51 Cb 0.05 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1jxf h ASP 51 CO 0.01 0.10 0.10 0.74 -1.72 0.00 0.00 179.24 178.47 1jxf h THR 52 N 0.39 1.25 -0.00 0.35 2.02 -1.96 -1.79 112.91 113.17 1jxf h THR 52 Ca 0.58 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1jxf h THR 52 Cb 1.48 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1jxf h THR 52 CO -0.28 0.35 -0.40 0.00 0.37 0.00 0.00 175.52 175.56 1jxf n ALA 53 N -2.47 3.35 -0.05 6.16 0.00 0.27 -2.71 120.51 125.06 1jxf n ALA 53 Ca 0.04 -0.37 -0.13 0.00 0.00 0.00 0.00 53.44 52.98 1jxf n ALA 53 Cb 0.27 -1.13 -0.07 0.00 0.00 0.00 0.00 19.45 18.52 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 3.26 0.21 0.00 0.00 0.00 0.29 -1.86 119.26 121.16 1jxf h ALA 54 Ca 0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1jxf h ALA 54 Cb 0.50 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1jxf h ALA 54 CO 0.00 0.09 -0.40 0.87 0.00 0.00 0.00 179.25 179.81 1jxf h LYS 55 N -0.01 0.00 -0.48 0.00 6.56 -1.62 -3.28 116.57 117.74 1jxf h LYS 55 Ca 0.02 0.00 0.14 0.00 -1.06 0.00 0.00 60.65 59.75 1jxf h LYS 55 Cb 0.66 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.30 1jxf h LYS 55 CO 0.03 0.90 0.63 -0.07 -2.06 0.00 0.00 179.45 178.89 1jxf h LEU 56 N -1.00 0.00-10.19 2.94 -0.00 -1.63 -3.39 115.31 102.03 1jxf h LEU 56 Ca -0.11 0.00 -0.48 0.00 -0.00 0.00 0.00 57.88 57.29 1jxf h LEU 56 Cb 1.01 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.68 1jxf h LEU 56 CO -0.06 0.00 0.30 -0.94 -0.00 0.00 0.00 178.44 177.74 1jxf s SER 57 N -4.63 6.57 0.50 -0.43 1.04 -0.70 -4.79 113.70 111.26 1jxf s SER 57 Ca -0.04 1.43 0.02 0.00 0.48 0.00 0.00 55.95 57.84 1jxf s SER 57 Cb 0.13 -2.45 -0.02 0.00 0.10 0.00 0.00 66.02 63.79 1jxf s SER 57 CO 0.47 -0.55 0.02 -1.00 0.98 0.00 0.00 173.24 173.15 1jxf s HIS 58 N -2.58 1.87 0.00 5.02 3.76 0.29 -4.88 115.29 118.76 1jxf s HIS 58 Ca 0.56 -0.99 0.00 0.00 -0.15 0.00 0.00 55.06 54.48 1jxf s HIS 58 Cb -0.10 -1.56 0.00 0.00 1.11 0.00 0.00 32.58 32.03 1jxf s HIS 58 CO 0.33 0.17 0.00 1.63 -0.85 0.00 0.00 174.74 176.02 1jxf n LYS 59 N -1.22 0.00 -1.41 1.40 5.02 -1.24 -3.85 118.16 116.86 1jxf n LYS 59 Ca -0.17 0.00 -0.49 0.00 -2.02 0.00 0.00 58.31 55.63 1jxf n LYS 59 Cb 0.67 -0.01 -0.03 0.00 -0.02 0.00 0.00 35.03 35.63 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 -0.26 -1.66 3.45 0.72 0.00 -1.26 -4.57 105.19 101.61 1jxf n GLY 60 Ca 0.00 0.36 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 1jxf n GLY 60 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1jxf s LEU 61 N 2.83 3.14 0.28 0.99 2.34 -1.26 -4.59 118.68 122.41 1jxf s LEU 61 Ca 0.65 -0.19 -0.00 0.00 0.06 0.00 0.00 54.13 54.65 1jxf s LEU 61 Cb -0.95 -1.76 -0.04 0.00 -0.56 0.00 0.00 46.19 42.88 1jxf s LEU 61 CO 0.56 0.13 0.48 0.00 -1.06 0.00 0.00 176.35 176.46 1jxf s ALA 62 N 0.58 3.75 0.00 1.48 0.00 -1.26 -4.96 121.76 121.35 1jxf s ALA 62 Ca -0.03 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1jxf s ALA 62 Cb -0.14 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 20.91 1jxf s ALA 62 CO 0.03 0.20 0.00 1.19 0.00 0.00 0.00 175.76 177.17 1jxf n PHE 63 N -1.24 0.00 -2.49 0.00 3.72 -1.26 -4.14 117.46 112.05 1jxf n PHE 63 Ca -0.05 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.96 1jxf n PHE 63 Cb 0.55 0.15 -0.04 0.00 -0.94 0.00 0.00 39.48 39.20 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 -1.47 3.29 -1.21 4.37 0.00 -1.26 -4.89 121.76 120.59 1jxf s ALA 64 Ca 0.00 0.83 -0.09 0.00 0.00 0.00 0.00 51.96 52.70 1jxf s ALA 64 Cb 0.00 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 19.74 1jxf s ALA 64 CO 0.00 -0.19 2.43 0.00 0.00 0.00 0.00 175.76 178.00 1jxf n ALA 65 N 0.74 5.75 -2.07 0.00 0.00 -1.26 -3.04 120.51 120.63 1jxf n ALA 65 Ca 0.01 -2.80 -0.00 0.00 0.00 0.00 0.00 53.44 50.64 1jxf n ALA 65 Cb 0.46 -3.23 0.00 0.00 0.00 0.00 0.00 19.45 16.69 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 3.78 -0.56 2.64 0.00 0.00 -1.26 -5.04 105.19 104.74 1jxf n GLY 66 Ca 0.58 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 46.30 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 0.01 0.45 0.07 1.61 2.02 -1.17 -5.08 118.70 116.61 1jxf s GLU 67 Ca 0.00 -0.79 0.06 0.00 0.02 0.00 0.00 54.97 54.27 1jxf s GLU 67 Cb 0.02 -1.58 -0.04 0.00 0.10 0.00 0.00 34.13 32.63 1jxf s GLU 67 CO -0.01 -1.00 -0.11 -1.54 0.02 0.00 0.00 175.26 172.62 1jxf s SER 68 N 1.86 4.29 0.67 -0.19 1.04 -1.26 -3.95 113.70 116.16 1jxf s SER 68 Ca 0.09 -0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.17 1jxf s SER 68 Cb -0.17 -0.82 0.10 0.00 0.10 0.00 0.00 66.02 65.23 1jxf s SER 68 CO -0.31 0.21 0.92 -0.36 0.98 0.00 0.00 173.24 174.68 1jxf s PHE 69 N -1.12 1.84 -0.04 5.02 0.08 -0.79 -4.85 117.98 118.13 1jxf s PHE 69 Ca 0.19 -0.27 -0.06 0.00 0.12 0.00 0.00 56.93 56.90 1jxf s PHE 69 Cb -0.11 -2.84 0.01 0.00 -0.57 0.00 0.00 43.02 39.51 1jxf s PHE 69 CO 0.11 -1.46 0.16 0.99 -0.10 0.00 0.00 175.22 174.91 1jxf s THR 70 N -3.00 0.03 0.04 0.64 2.01 -1.26 -2.29 115.64 111.80 1jxf s THR 70 Ca 0.64 -0.22 -0.05 0.00 0.31 0.00 0.00 61.69 62.37 1jxf s THR 70 Cb -0.06 -0.30 -0.01 0.00 0.01 0.00 0.00 72.50 72.14 1jxf s THR 70 CO 0.42 -0.12 0.10 -0.94 -0.69 0.00 0.00 174.62 173.39 1jxf s SER 71 N -0.37 0.17 -0.07 3.53 1.04 -0.61 -4.95 113.70 112.44 1jxf s SER 71 Ca -0.05 -0.52 0.01 0.00 0.48 0.00 0.00 55.95 55.87 1jxf s SER 71 Cb -0.03 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.33 1jxf s SER 71 CO 0.01 -0.50 -0.06 -0.89 0.98 0.00 0.00 173.24 172.77 1jxf s THR 72 N -2.56 0.78 -1.11 2.02 2.01 -1.26 -0.48 115.64 115.03 1jxf s THR 72 Ca -0.05 -0.21 -0.04 0.00 0.31 0.00 0.00 61.69 61.69 1jxf s THR 72 Cb -0.01 -0.79 0.28 0.00 0.01 0.00 0.00 72.50 71.99 1jxf s THR 72 CO -0.04 0.30 1.64 0.49 -0.69 0.00 0.00 174.62 176.31 1jxf n PHE 73 N 4.36 2.42 -0.31 4.92 3.01 -1.07 -4.80 117.46 125.99 1jxf n PHE 73 Ca -0.19 -2.60 0.20 0.00 1.01 0.00 0.00 57.45 55.87 1jxf n PHE 73 Cb 0.51 -1.36 0.47 0.00 -0.01 0.00 0.00 39.48 39.09 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 3.22 0.59 -3.42 4.37 2.02 -1.90 -3.02 112.91 114.77 1jxf h THR 74 Ca 0.31 -0.16 -0.66 0.00 0.77 0.00 0.00 66.41 66.66 1jxf h THR 74 Cb 0.55 0.08 -0.19 0.00 -1.74 0.00 0.00 68.15 66.85 1jxf h THR 74 CO 1.36 0.09 -0.67 -1.61 0.37 0.00 0.00 175.52 175.06 1jxf s GLU 75 N -5.55 3.25 -0.13 6.66 2.02 -1.26 -4.39 118.70 119.30 1jxf s GLU 75 Ca -0.09 -0.51 -0.29 0.00 0.02 0.00 0.00 54.97 54.10 1jxf s GLU 75 Cb 0.25 -2.79 -0.02 0.00 0.10 0.00 0.00 34.13 31.67 1jxf s GLU 75 CO 0.79 0.47 1.25 -1.25 0.02 0.00 0.00 175.26 176.55 1jxf s PRO 76 N -0.25 4.27 0.00 0.39 0.04 -1.26 -4.91 135.00 133.27 1jxf s PRO 76 Ca 0.04 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1jxf s PRO 76 Cb -0.13 -3.70 0.00 0.00 0.04 0.00 0.00 34.50 30.71 1jxf s PRO 76 CO 0.02 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.84 1jxf n GLY 77 N 3.55 3.68 2.67 0.56 0.00 -1.23 -4.94 105.19 109.49 1jxf n GLY 77 Ca 0.13 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 1jxf n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jxf s THR 78 N -0.21 -0.23 -0.04 2.61 -1.32 -1.26 -2.49 115.64 112.70 1jxf s THR 78 Ca 0.00 -0.92 -0.22 0.00 -1.21 0.00 0.00 61.69 59.34 1jxf s THR 78 Cb 0.00 -0.90 -0.05 0.00 -1.51 0.00 0.00 72.50 70.04 1jxf s THR 78 CO 0.00 -0.64 0.65 -0.31 -2.21 0.00 0.00 174.62 172.11 1jxf s TYR 79 N 1.77 3.63 -0.22 9.09 1.51 -0.82 -4.14 117.35 128.15 1jxf s TYR 79 Ca 0.13 1.22 0.02 0.00 -1.01 0.00 0.00 57.07 57.44 1jxf s TYR 79 Cb -0.16 -2.71 0.04 0.00 -0.11 0.00 0.00 41.96 39.01 1jxf s TYR 79 CO -0.17 0.21 -0.15 0.99 -1.11 0.00 0.00 175.55 175.32 1jxf s THR 80 N 0.34 2.14 0.05 -0.71 2.01 -1.26 -0.39 115.64 117.83 1jxf s THR 80 Ca 0.34 -1.31 0.08 0.00 0.31 0.00 0.00 61.69 61.11 1jxf s THR 80 Cb -0.18 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 1jxf s THR 80 CO 0.18 0.23 -0.21 -0.72 -0.69 0.00 0.00 174.62 173.41 1jxf s TYR 81 N 1.19 2.48 0.35 4.92 1.13 -0.98 -1.44 117.35 125.00 1jxf s TYR 81 Ca -0.03 -0.31 0.02 0.00 -1.41 0.00 0.00 57.07 55.35 1jxf s TYR 81 Cb -0.17 -1.42 -0.01 0.00 -1.10 0.00 0.00 41.96 39.26 1jxf s TYR 81 CO -0.09 0.23 0.41 2.48 -2.51 0.00 0.00 175.55 176.07 1jxf n TYR 82 N 1.53 -1.19 -2.65 -3.49 0.18 -1.09 0.51 117.16 110.97 1jxf n TYR 82 Ca -0.16 -2.57 -0.43 0.00 1.88 0.00 0.00 57.90 56.62 1jxf n TYR 82 Cb 0.52 0.45 -0.02 0.00 -0.38 0.00 0.00 39.34 39.91 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 7.55 -0.07 -0.00 0.00 4.81 -1.93 0.79 114.58 125.72 1jxf h GLU 84 Ca -0.19 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 1jxf h GLU 84 Cb 1.06 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1jxf h GLU 84 CO 0.98 -0.04 -0.08 -1.00 -0.73 0.00 0.00 179.01 178.14 1jxf h PRO 85 N -0.07 0.06 -1.79 0.92 0.13 -1.96 -3.27 132.00 126.02 1jxf h PRO 85 Ca 0.23 -0.06 -0.46 0.00 -0.87 0.00 0.00 66.00 64.85 1jxf h PRO 85 Cb 0.43 0.02 -0.17 0.00 0.13 0.00 0.00 31.00 31.40 1jxf h PRO 85 CO -0.54 0.80 0.44 0.72 -0.23 0.00 0.00 178.00 179.19 1jxf n HIS 86 N -4.66 1.69 0.41 1.56 8.25 -1.00 -4.58 115.22 116.89 1jxf n HIS 86 Ca -0.09 -2.01 -0.17 0.00 -0.26 0.00 0.00 57.72 55.18 1jxf n HIS 86 Cb 0.41 -1.24 -0.08 0.00 1.12 0.00 0.00 29.99 30.19 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 2.44 -1.02 -2.43 -0.41 2.43 0.54 -3.32 114.38 112.61 1jxf h ARG 87 Ca 0.37 0.07 -0.73 0.00 -0.81 0.00 0.00 59.98 58.88 1jxf h ARG 87 Cb 0.77 0.23 -0.33 0.00 -0.42 0.00 0.00 29.97 30.23 1jxf h ARG 87 CO 0.89 -0.67 0.34 0.41 -1.51 0.00 0.00 179.97 179.43 1jxf n GLY 88 N -1.13 5.55 1.59 2.80 0.00 -1.26 -4.53 105.19 108.21 1jxf n GLY 88 Ca -0.14 -2.68 0.00 0.00 0.00 0.00 0.00 46.02 43.20 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 0.43 2.96 0.00 4.61 0.00 -1.25 -5.05 120.51 122.22 1jxf n ALA 89 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1jxf n ALA 89 Cb 0.33 0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 2.03 0.00 2.71 0.00 0.00 -1.26 -5.13 105.19 103.54 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 0.19 1.61 -2.45 -1.25 -4.86 119.30 112.85 1jxf s MET 91 Ca 0.00 -0.29 -0.05 0.00 -1.25 0.00 0.00 55.69 54.11 1jxf s MET 91 Cb 0.00 -0.77 -0.03 0.00 1.25 0.00 0.00 34.83 35.28 1jxf s MET 91 CO 0.00 -1.04 0.21 0.08 1.05 0.00 0.00 175.02 175.31 1jxf s VAL 92 N 2.23 0.04 0.16 10.11 1.01 -1.26 -2.68 120.40 130.00 1jxf s VAL 92 Ca 0.10 -1.75 -0.11 0.00 0.00 0.00 0.00 61.98 60.21 1jxf s VAL 92 Cb -0.15 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.03 1jxf s VAL 92 CO -0.31 -0.17 0.34 -0.83 0.00 0.00 0.00 175.10 174.13 1jxf s GLY 93 N -3.07 0.26 0.01 4.51 0.00 0.18 -4.53 107.32 104.68 1jxf s GLY 93 Ca 0.28 -0.65 -0.04 0.00 0.00 0.00 0.00 44.72 44.31 1jxf s GLY 93 CO 0.07 -0.67 0.07 0.54 0.00 0.00 0.00 173.10 173.11 1jxf s LYS 94 N -3.93 0.39 -0.05 2.90 1.02 -0.69 -2.32 119.74 117.06 1jxf s LYS 94 Ca 0.13 -0.43 0.00 0.00 0.02 0.00 0.00 55.97 55.69 1jxf s LYS 94 Cb 0.02 0.15 0.02 0.00 -0.52 0.00 0.00 37.83 37.51 1jxf s LYS 94 CO -0.02 -0.08 -0.02 0.08 -0.92 0.00 0.00 175.35 174.38 1jxf s VAL 95 N -1.29 0.44 -0.15 3.17 1.01 0.48 -3.31 120.40 120.76 1jxf s VAL 95 Ca -0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 1jxf s VAL 95 Cb -0.08 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 1jxf s VAL 95 CO 0.00 0.23 -0.05 -0.69 0.00 0.00 0.00 175.10 174.59 1jxf s VAL 96 N 1.27 3.78 0.06 2.92 1.01 -1.01 -1.95 120.40 126.49 1jxf s VAL 96 Ca -0.06 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.59 1jxf s VAL 96 Cb -0.14 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 1jxf s VAL 96 CO -0.02 0.50 -0.18 -0.69 0.00 0.00 0.00 175.10 174.71 1jxf s VAL 97 N 0.33 1.43 0.00 2.92 1.01 -1.04 -1.65 120.40 123.41 1jxf s VAL 97 Ca -0.05 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.70 1jxf s VAL 97 Cb -0.14 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.95 1jxf s VAL 97 CO 0.03 0.02 0.46 -0.90 0.00 0.00 0.00 175.10 174.72