#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 7.14 0.33 0.00 4.22 -1.26 -4.35 114.94 121.01 1jxf s ASN 2 Ca 0.00 1.86 0.09 0.00 -2.14 0.00 0.00 52.86 52.68 1jxf s ASN 2 Cb 0.00 -2.57 -0.05 0.00 1.28 0.00 0.00 41.25 39.91 1jxf s ASN 2 CO 0.00 -0.45 -0.02 0.00 -2.04 0.00 0.00 177.10 174.59 1jxf s ALA 3 N 1.40 3.13 -0.07 3.54 0.00 -1.23 -5.07 121.76 123.46 1jxf s ALA 3 Ca 0.56 -1.93 -0.06 0.00 0.00 0.00 0.00 51.96 50.53 1jxf s ALA 3 Cb -0.26 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.51 1jxf s ALA 3 CO 0.26 0.11 0.18 0.99 0.00 0.00 0.00 175.76 177.30 1jxf s THR 4 N -2.51 -0.00 -0.06 0.00 2.01 -1.26 -2.26 115.64 111.56 1jxf s THR 4 Ca 0.34 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.33 1jxf s THR 4 Cb -0.01 -0.25 0.04 0.00 0.01 0.00 0.00 72.50 72.28 1jxf s THR 4 CO 0.19 0.00 0.10 -0.69 -0.69 0.00 0.00 174.62 173.53 1jxf s VAL 5 N 0.17 -0.15 -0.57 3.82 1.01 -0.70 -4.38 120.40 119.59 1jxf s VAL 5 Ca -0.01 0.36 -0.19 0.00 0.00 0.00 0.00 61.98 62.14 1jxf s VAL 5 Cb -0.02 -0.20 0.10 0.00 0.00 0.00 0.00 36.38 36.25 1jxf s VAL 5 CO -0.00 0.15 0.68 -0.54 0.00 0.00 0.00 175.10 175.38 1jxf s LYS 6 N 1.99 3.05 -0.76 2.72 1.02 -0.91 -2.67 119.74 124.19 1jxf s LYS 6 Ca 0.01 -1.25 -0.26 0.00 0.02 0.00 0.00 55.97 54.49 1jxf s LYS 6 Cb -0.12 -4.23 -0.16 0.00 -0.52 0.00 0.00 37.83 32.79 1jxf s LYS 6 CO -0.04 -1.47 2.50 0.00 -0.92 0.00 0.00 175.35 175.41 1jxf n MET 7 N 6.25 0.50 0.00 1.68 0.00 -1.11 -4.06 117.12 120.38 1jxf n MET 7 Ca -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 57.70 57.51 1jxf n MET 7 Cb 0.43 -2.51 0.00 0.00 0.00 0.00 0.00 33.22 31.13 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 6.23 -1.69 3.91 3.17 0.00 -1.11 -3.79 105.19 111.92 1jxf n GLY 8 Ca 0.52 -2.15 -0.21 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.59 6.01 -1.06 1.61 1.04 -0.81 -4.45 113.70 113.45 1jxf s SER 9 Ca 0.00 -0.05 -0.18 0.00 0.48 0.00 0.00 55.95 56.20 1jxf s SER 9 Cb 0.00 -1.68 -0.08 0.00 0.10 0.00 0.00 66.02 64.36 1jxf s SER 9 CO 0.00 -0.06 2.08 0.47 0.98 0.00 0.00 173.24 176.72 1jxf n ASP 10 N -1.31 3.34 -1.88 7.02 8.00 -1.26 -2.97 116.55 127.50 1jxf n ASP 10 Ca -0.09 -2.72 -0.02 0.00 0.71 0.00 0.00 54.79 52.68 1jxf n ASP 10 Cb 0.57 -1.33 -0.01 0.00 -0.02 0.00 0.00 41.12 40.33 1jxf n ASP 10 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1jxf n SER 11 N 6.66 -2.92 0.00 -2.24 2.88 -1.26 -4.98 113.62 111.77 1jxf n SER 11 Ca 0.51 0.75 0.00 0.00 -1.33 0.00 0.00 58.87 58.80 1jxf n SER 11 Cb 0.38 -3.05 0.00 0.00 -0.75 0.00 0.00 64.21 60.79 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 0.85 -0.73 3.28 0.46 0.00 -1.26 -5.07 105.19 102.72 1jxf n GLY 12 Ca -0.13 0.34 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.26 1.24 -0.51 4.61 0.00 -1.26 -5.04 121.76 120.55 1jxf s ALA 13 Ca 0.00 -1.74 -0.14 0.00 0.00 0.00 0.00 51.96 50.08 1jxf s ALA 13 Cb 0.00 1.37 0.12 0.00 0.00 0.00 0.00 23.12 24.61 1jxf s ALA 13 CO 0.00 -0.65 0.44 -0.48 0.00 0.00 0.00 175.76 175.06 1jxf s LEU 14 N -3.22 5.94 -0.09 0.00 2.34 -1.26 -1.92 118.68 120.48 1jxf s LEU 14 Ca 0.38 -1.76 -0.05 0.00 0.06 0.00 0.00 54.13 52.76 1jxf s LEU 14 Cb 0.04 -2.14 0.04 0.00 -0.56 0.00 0.00 46.19 43.57 1jxf s LEU 14 CO 0.17 -0.78 0.20 0.68 -1.06 0.00 0.00 176.35 175.57 1jxf s VAL 15 N 1.53 -0.03 -0.10 1.48 -7.23 -1.26 -4.67 120.40 110.12 1jxf s VAL 15 Ca 0.04 0.12 -0.30 0.00 -1.81 0.00 0.00 61.98 60.03 1jxf s VAL 15 Cb -0.28 -0.31 -0.02 0.00 0.56 0.00 0.00 36.38 36.32 1jxf s VAL 15 CO 0.02 0.05 1.22 -0.36 -0.31 0.00 0.00 175.10 175.72 1jxf s PHE 16 N 0.92 3.06 -0.07 2.82 0.08 -1.26 -2.74 117.98 120.78 1jxf s PHE 16 Ca -0.07 1.14 -0.03 0.00 0.12 0.00 0.00 56.93 58.09 1jxf s PHE 16 Cb -0.08 -3.45 0.04 0.00 -0.57 0.00 0.00 43.02 38.96 1jxf s PHE 16 CO -0.05 -1.46 0.14 -2.00 -0.10 0.00 0.00 175.22 171.75 1jxf s GLU 17 N 2.74 0.06 0.07 0.44 2.56 -1.26 -0.98 118.70 122.33 1jxf s GLU 17 Ca 0.55 0.42 -0.30 0.00 0.00 0.00 0.00 54.97 55.63 1jxf s GLU 17 Cb -0.23 -0.22 -0.06 0.00 2.00 0.00 0.00 34.13 35.62 1jxf s GLU 17 CO 0.19 -0.21 1.16 -1.25 -0.56 0.00 0.00 175.26 174.59 1jxf s PRO 18 N 1.51 4.46 0.36 4.30 0.04 -1.26 -2.14 135.00 142.27 1jxf s PRO 18 Ca -0.05 1.72 0.14 0.00 0.04 0.00 0.00 61.00 62.85 1jxf s PRO 18 Cb -0.12 -3.35 0.99 0.00 0.04 0.00 0.00 34.50 32.06 1jxf s PRO 18 CO -0.06 -0.20 1.75 0.66 0.04 0.00 0.00 177.00 179.20 1jxf h SER 19 N 6.62 0.56 -3.35 6.66 4.64 -1.39 -3.37 113.55 123.92 1jxf h SER 19 Ca -0.42 0.11 -0.56 0.00 -0.47 0.00 0.00 61.79 60.45 1jxf h SER 19 Cb 1.21 0.02 -0.34 0.00 -0.31 0.00 0.00 62.40 62.98 1jxf h SER 19 CO 0.79 0.10 -0.83 -0.89 -0.87 0.00 0.00 176.83 175.14 1jxf s THR 20 N -5.63 1.39 0.03 2.95 2.01 -1.26 -1.16 115.64 113.97 1jxf s THR 20 Ca -0.10 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.35 1jxf s THR 20 Cb 0.26 -1.26 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 1jxf s THR 20 CO 0.80 0.41 -0.14 0.68 -0.69 0.00 0.00 174.62 175.68 1jxf s VAL 21 N 0.77 1.12 -0.18 3.82 -7.23 -1.20 -5.04 120.40 112.46 1jxf s VAL 21 Ca -0.12 -0.92 -0.02 0.00 -1.81 0.00 0.00 61.98 59.11 1jxf s VAL 21 Cb -0.16 -1.00 0.06 0.00 0.56 0.00 0.00 36.38 35.84 1jxf s VAL 21 CO 0.02 0.07 0.02 -0.89 -0.31 0.00 0.00 175.10 174.02 1jxf s THR 22 N -0.74 0.62 0.48 5.32 2.01 -1.26 -2.37 115.64 119.70 1jxf s THR 22 Ca 0.03 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.47 1jxf s THR 22 Cb -0.07 -1.06 0.00 0.00 0.01 0.00 0.00 72.50 71.38 1jxf s THR 22 CO 0.01 -0.14 0.03 2.30 -0.69 0.00 0.00 174.62 176.12 1jxf n ILE 23 N 5.02 0.00 -1.49 1.82 -5.35 -1.21 -4.88 119.36 113.26 1jxf n ILE 23 Ca -0.09 -2.25 -0.30 0.00 -0.27 0.00 0.00 62.75 59.84 1jxf n ILE 23 Cb 0.47 0.42 0.20 0.00 -1.74 0.00 0.00 39.64 38.99 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 -3.75 -0.14 -0.79 6.28 1.02 -1.26 -2.73 119.74 118.37 1jxf s LYS 24 Ca 0.02 -0.16 -0.13 0.00 0.02 0.00 0.00 55.97 55.72 1jxf s LYS 24 Cb -0.00 -1.73 0.21 0.00 -0.52 0.00 0.00 37.83 35.79 1jxf s LYS 24 CO 0.01 -2.98 0.72 0.00 -0.92 0.00 0.00 175.35 172.19 1jxf s ALA 25 N -3.40 4.01 0.00 5.17 0.00 -1.19 -4.03 121.76 122.31 1jxf s ALA 25 Ca 0.71 -3.26 0.00 0.00 0.00 0.00 0.00 51.96 49.41 1jxf s ALA 25 Cb -0.08 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1jxf s ALA 25 CO 0.54 -2.24 0.00 0.41 0.00 0.00 0.00 175.76 174.47 1jxf n GLY 26 N 4.02 0.52 3.95 0.00 0.00 0.80 -4.80 105.19 109.68 1jxf n GLY 26 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.58 0.48 1.61 2.56 -1.25 -4.65 118.70 118.03 1jxf s GLU 27 Ca 0.00 -0.61 0.03 0.00 0.00 0.00 0.00 54.97 54.39 1jxf s GLU 27 Cb 0.00 -1.90 -0.03 0.00 2.00 0.00 0.00 34.13 34.20 1jxf s GLU 27 CO 0.00 -2.41 0.01 -1.83 -0.56 0.00 0.00 175.26 170.47 1jxf s GLU 28 N -5.83 2.12 -0.04 4.30 1.03 -1.26 -0.14 118.70 118.87 1jxf s GLU 28 Ca 0.75 -2.31 0.00 0.00 0.03 0.00 0.00 54.97 53.44 1jxf s GLU 28 Cb -0.03 -1.51 0.03 0.00 -0.80 0.00 0.00 34.13 31.82 1jxf s GLU 28 CO 0.52 -0.28 -0.01 0.08 -1.33 0.00 0.00 175.26 174.24 1jxf s VAL 29 N -2.85 0.31 -0.14 1.83 1.01 -0.70 -3.52 120.40 116.34 1jxf s VAL 29 Ca 0.14 0.04 -0.07 0.00 0.00 0.00 0.00 61.98 62.09 1jxf s VAL 29 Cb 0.04 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 1jxf s VAL 29 CO 0.07 0.19 0.10 -0.75 0.00 0.00 0.00 175.10 174.72 1jxf s LYS 30 N 1.18 3.58 0.46 2.72 2.20 -0.96 -1.60 119.74 127.32 1jxf s LYS 30 Ca -0.07 -0.22 0.07 0.00 -0.36 0.00 0.00 55.97 55.39 1jxf s LYS 30 Cb -0.14 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 1jxf s LYS 30 CO -0.02 0.60 0.44 -1.58 -0.36 0.00 0.00 175.35 174.43 1jxf s TRP 31 N -0.54 2.39 -0.06 4.03 0.51 0.16 -1.73 118.94 123.69 1jxf s TRP 31 Ca 0.12 -0.57 -0.04 0.00 -2.12 0.00 0.00 56.10 53.48 1jxf s TRP 31 Cb -0.12 -2.14 0.02 0.00 -0.81 0.00 0.00 33.47 30.42 1jxf s TRP 31 CO 0.02 -0.31 0.16 0.08 -0.51 0.00 0.00 176.95 176.39 1jxf s VAL 32 N -2.54 -0.02 -0.34 4.03 1.01 -1.09 -3.71 120.40 117.74 1jxf s VAL 32 Ca 0.47 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.23 1jxf s VAL 32 Cb -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 36.38 36.11 1jxf s VAL 32 CO 0.28 0.03 1.33 0.21 0.00 0.00 0.00 175.10 176.95 1jxf s ASN 33 N 0.51 6.56 0.00 3.32 2.47 -1.26 -2.74 114.94 123.80 1jxf s ASN 33 Ca -0.04 1.06 0.00 0.00 0.42 0.00 0.00 52.86 54.31 1jxf s ASN 33 Cb -0.05 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.21 1jxf s ASN 33 CO -0.02 -1.20 0.00 -3.20 -3.72 0.00 0.00 177.10 168.95 1jxf n ASN 34 N 8.02 0.80 -3.66 -4.21 2.85 -1.25 -4.60 115.26 113.21 1jxf n ASN 34 Ca 0.15 -0.59 -0.27 0.00 -0.11 0.00 0.00 54.58 53.76 1jxf n ASN 34 Cb 0.47 0.00 0.20 0.00 1.24 0.00 0.00 39.78 41.69 1jxf n ASN 34 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1jxf n LYS 35 N -0.36 -1.65 -2.64 1.20 4.76 -1.16 -4.56 118.16 113.75 1jxf n LYS 35 Ca 0.00 -1.80 -0.09 0.00 -2.87 0.00 0.00 58.31 53.55 1jxf n LYS 35 Cb 0.00 -1.31 0.04 0.00 -1.84 0.00 0.00 35.03 31.92 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 -3.39 -4.96 -0.35 7.99 -1.26 -4.59 117.00 110.43 1jxf n LEU 36 Ca 0.15 -0.35 -0.22 0.00 -0.01 0.00 0.00 56.01 55.59 1jxf n LEU 36 Cb 0.53 -1.92 -0.01 0.00 -0.11 0.00 0.00 43.42 41.92 1jxf n LEU 36 CO 0.38 0.15 0.10 -0.94 -1.51 0.00 0.00 177.39 175.57 1jxf s SER 37 N -3.54 6.14 0.77 -1.43 1.04 -1.26 -4.31 113.70 111.11 1jxf s SER 37 Ca 0.09 0.14 -0.11 0.00 0.48 0.00 0.00 55.95 56.54 1jxf s SER 37 Cb -0.01 -1.69 0.05 0.00 0.10 0.00 0.00 66.02 64.48 1jxf s SER 37 CO 0.39 -0.33 1.09 -2.16 0.98 0.00 0.00 173.24 173.21 1jxf s PRO 38 N -4.22 2.29 -0.03 4.02 0.04 -1.26 -5.18 135.00 130.66 1jxf s PRO 38 Ca 0.41 0.71 -0.00 0.00 0.04 0.00 0.00 61.00 62.15 1jxf s PRO 38 Cb -0.09 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.54 1jxf s PRO 38 CO 0.33 -1.49 0.02 -1.01 0.04 0.00 0.00 177.00 174.88 1jxf s HIS 39 N -3.13 0.16 0.41 0.56 3.76 -1.26 -5.06 115.29 110.72 1jxf s HIS 39 Ca 0.60 0.08 0.07 0.00 -0.15 0.00 0.00 55.06 55.67 1jxf s HIS 39 Cb -0.14 -0.34 -0.08 0.00 1.11 0.00 0.00 32.58 33.14 1jxf s HIS 39 CO 0.54 -0.12 0.02 0.54 -0.85 0.00 0.00 174.74 174.88 1jxf s ASN 40 N 1.15 3.94 -0.31 1.40 4.22 -1.26 -4.15 114.94 119.93 1jxf s ASN 40 Ca -0.08 -1.32 -0.01 0.00 -2.14 0.00 0.00 52.86 49.31 1jxf s ASN 40 Cb -0.13 -0.41 0.10 0.00 1.28 0.00 0.00 41.25 42.09 1jxf s ASN 40 CO -0.03 -0.44 0.11 -0.63 -2.04 0.00 0.00 177.10 174.07 1jxf s ILE 41 N -2.69 0.74 -0.28 0.54 1.09 -1.09 -4.56 121.20 114.96 1jxf s ILE 41 Ca 0.36 -1.33 -0.04 0.00 -1.10 0.00 0.00 60.65 58.54 1jxf s ILE 41 Cb 0.09 -1.57 0.03 0.00 -1.06 0.00 0.00 42.46 39.94 1jxf s ILE 41 CO 0.18 -0.69 0.01 0.68 -0.10 0.00 0.00 174.94 175.02 1jxf s VAL 42 N 1.66 3.33 -0.69 2.92 -7.23 -1.19 -0.83 120.40 118.37 1jxf s VAL 42 Ca 0.10 -0.99 -0.21 0.00 -1.81 0.00 0.00 61.98 59.07 1jxf s VAL 42 Cb -0.17 -2.75 0.09 0.00 0.56 0.00 0.00 36.38 34.10 1jxf s VAL 42 CO -0.26 0.07 0.94 -0.36 -0.31 0.00 0.00 175.10 175.18 1jxf s PHE 43 N 1.38 2.81 -0.58 2.82 0.08 -1.26 -2.49 117.98 120.74 1jxf s PHE 43 Ca -0.00 -0.76 -0.28 0.00 0.12 0.00 0.00 56.93 56.01 1jxf s PHE 43 Cb -0.18 -4.24 0.01 0.00 -0.57 0.00 0.00 43.02 38.05 1jxf s PHE 43 CO -0.01 -1.55 1.41 0.00 -0.10 0.00 0.00 175.22 174.97 1jxf s ALA 44 N 3.58 2.79 -0.99 5.36 0.00 0.05 -4.64 121.76 127.91 1jxf s ALA 44 Ca 0.21 -0.73 -0.25 0.00 0.00 0.00 0.00 51.96 51.19 1jxf s ALA 44 Cb -0.17 -4.12 -0.25 0.00 0.00 0.00 0.00 23.12 18.59 1jxf s ALA 44 CO 0.06 -2.99 2.55 0.00 0.00 0.00 0.00 175.76 175.39 1jxf n ALA 45 N 9.64 0.52 -3.63 0.00 0.00 -1.26 -4.20 120.51 121.57 1jxf n ALA 45 Ca 0.12 -0.44 -0.27 0.00 0.00 0.00 0.00 53.44 52.84 1jxf n ALA 45 Cb 0.49 -2.33 -0.10 0.00 0.00 0.00 0.00 19.45 17.51 1jxf n ALA 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jxf n ASP 46 N 9.45 2.96 0.00 0.00 2.03 -1.26 -4.70 116.55 125.02 1jxf n ASP 46 Ca 0.66 -3.23 0.00 0.00 0.52 0.00 0.00 54.79 52.74 1jxf n ASP 46 Cb 0.07 -0.70 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 1jxf n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jxf n GLY 47 N 1.51 1.42 4.02 0.27 0.00 -1.26 -4.68 105.19 106.47 1jxf n GLY 47 Ca 0.25 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.64 1.95 0.34 1.61 0.11 -1.25 -4.69 120.40 116.82 1jxf s VAL 48 Ca 0.00 -1.06 -0.26 0.00 -2.93 0.00 0.00 61.98 57.72 1jxf s VAL 48 Cb 0.00 -2.02 -0.09 0.00 -1.53 0.00 0.00 36.38 32.74 1jxf s VAL 48 CO 0.00 0.00 1.03 -1.81 -3.33 0.00 0.00 175.10 170.99 1jxf s ASP 49 N -4.66 7.09 0.01 3.54 1.11 -1.26 -4.86 116.67 117.64 1jxf s ASP 49 Ca 0.59 2.05 -0.09 0.00 0.18 0.00 0.00 52.55 55.29 1jxf s ASP 49 Cb -0.05 -2.60 -0.05 0.00 1.07 0.00 0.00 42.92 41.30 1jxf s ASP 49 CO 0.37 -0.26 1.11 0.00 1.18 0.00 0.00 175.17 177.58 1jxf h ALA 50 N 3.13 -1.07 -1.00 5.23 0.00 -1.98 0.24 119.26 123.82 1jxf h ALA 50 Ca -0.47 -0.07 0.38 0.00 0.00 0.00 0.00 54.91 54.75 1jxf h ALA 50 Cb 1.21 0.12 -0.18 0.00 0.00 0.00 0.00 17.79 18.94 1jxf h ALA 50 CO 0.65 -1.04 0.44 -0.44 0.00 0.00 0.00 179.25 178.85 1jxf h ASP 51 N -0.32 0.18 0.00 0.00 3.32 -1.98 0.65 116.42 118.26 1jxf h ASP 51 Ca -0.03 0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1jxf h ASP 51 Cb 0.24 0.30 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1jxf h ASP 51 CO 0.05 -0.40 0.00 0.41 -1.72 0.00 0.00 179.24 177.59 1jxf n THR 52 N -5.29 0.00 0.04 0.35 -1.04 -1.03 -2.24 114.28 105.08 1jxf n THR 52 Ca 0.35 1.40 0.21 0.00 -2.04 0.00 0.00 64.05 63.96 1jxf n THR 52 Cb 1.16 -2.39 0.61 0.00 -1.82 0.00 0.00 70.33 67.89 1jxf n THR 52 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jxf h ALA 53 N -2.00 2.27 -0.12 2.41 0.00 0.64 -1.00 119.26 121.46 1jxf h ALA 53 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jxf h ALA 53 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1jxf h ALA 53 CO 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 179.25 178.27 1jxf n ALA 54 N -2.19 -0.42 0.20 0.00 0.00 0.21 0.20 120.51 118.51 1jxf n ALA 54 Ca 0.11 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.72 1jxf n ALA 54 Cb 0.90 0.06 0.83 0.00 0.00 0.00 0.00 19.45 21.24 1jxf n ALA 54 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1jxf h LYS 55 N 0.00 0.00 0.00 0.00 3.64 -0.87 1.09 116.57 120.43 1jxf h LYS 55 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jxf h LYS 55 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1jxf h LYS 55 CO 0.00 0.00 0.00 -0.07 -2.27 0.00 0.00 179.45 177.11 1jxf h LEU 56 N 0.00 0.00 -9.71 5.20 3.38 -0.66 -3.45 115.31 110.07 1jxf h LEU 56 Ca 0.09 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.47 1jxf h LEU 56 Cb 0.53 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 1jxf h LEU 56 CO -0.00 0.00 -0.13 -0.94 0.09 0.00 0.00 178.44 177.46 1jxf s SER 57 N -5.97 6.89 -0.33 -0.43 1.04 0.52 -4.80 113.70 110.63 1jxf s SER 57 Ca 0.07 1.07 0.01 0.00 0.48 0.00 0.00 55.95 57.58 1jxf s SER 57 Cb 0.06 -2.29 0.10 0.00 0.10 0.00 0.00 66.02 63.99 1jxf s SER 57 CO 0.65 0.28 0.09 -1.38 0.98 0.00 0.00 173.24 173.86 1jxf s HIS 58 N -1.15 2.28 0.16 5.02 -3.43 -0.01 -4.89 115.29 113.27 1jxf s HIS 58 Ca 0.28 -2.12 0.02 0.00 -0.80 0.00 0.00 55.06 52.44 1jxf s HIS 58 Cb -0.17 -2.06 -0.02 0.00 -1.43 0.00 0.00 32.58 28.90 1jxf s HIS 58 CO 0.16 -0.89 1.37 0.87 -2.00 0.00 0.00 174.74 174.25 1jxf h LYS 59 N 7.89 0.21 -5.30 -0.38 1.57 -1.95 -2.88 116.57 115.73 1jxf h LYS 59 Ca -0.10 -0.23 -0.68 0.00 -1.87 0.00 0.00 60.65 57.77 1jxf h LYS 59 Cb 1.01 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.35 1jxf h LYS 59 CO 0.49 0.96 1.15 0.41 -0.57 0.00 0.00 179.45 181.89 1jxf n GLY 60 N 0.89 -0.13 3.77 3.86 0.00 -1.26 -4.73 105.19 107.59 1jxf n GLY 60 Ca -0.04 0.99 -0.32 0.00 0.00 0.00 0.00 46.02 46.65 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 5.24 3.14 -0.04 0.99 2.01 -1.26 -4.83 118.68 123.93 1jxf s LEU 61 Ca 1.06 1.88 -0.02 0.00 0.01 0.00 0.00 54.13 57.06 1jxf s LEU 61 Cb -1.32 -4.53 0.03 0.00 0.01 0.00 0.00 46.19 40.38 1jxf s LEU 61 CO 0.59 -1.92 0.07 0.00 1.01 0.00 0.00 176.35 176.09 1jxf s ALA 62 N -2.72 0.14 -0.23 4.21 0.00 -1.26 -5.02 121.76 116.88 1jxf s ALA 62 Ca 0.63 0.27 0.11 0.00 0.00 0.00 0.00 51.96 52.97 1jxf s ALA 62 Cb -0.18 -0.56 0.44 0.00 0.00 0.00 0.00 23.12 22.82 1jxf s ALA 62 CO 0.51 -0.41 1.20 1.19 0.00 0.00 0.00 175.76 178.26 1jxf n PHE 63 N 5.03 1.17 -3.88 0.00 3.72 -1.26 -4.23 117.46 118.02 1jxf n PHE 63 Ca -0.09 -1.76 -0.17 0.00 -0.05 0.00 0.00 57.45 55.38 1jxf n PHE 63 Cb 0.50 -0.28 -0.16 0.00 -0.94 0.00 0.00 39.48 38.60 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 -3.21 0.30 -1.08 4.37 0.00 -1.26 -5.07 121.76 115.81 1jxf s ALA 64 Ca 0.42 0.17 -0.22 0.00 0.00 0.00 0.00 51.96 52.33 1jxf s ALA 64 Cb 0.38 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 23.17 1jxf s ALA 64 CO -0.03 -0.13 1.67 0.00 0.00 0.00 0.00 175.76 177.27 1jxf s ALA 65 N 1.17 2.54 0.00 0.00 0.00 -1.26 -2.76 121.76 121.45 1jxf s ALA 65 Ca -0.08 -2.25 0.00 0.00 0.00 0.00 0.00 51.96 49.63 1jxf s ALA 65 Cb -0.13 -4.58 0.00 0.00 0.00 0.00 0.00 23.12 18.41 1jxf s ALA 65 CO -0.02 -3.97 0.00 0.41 0.00 0.00 0.00 175.76 172.18 1jxf n GLY 66 N 6.41 0.52 3.61 0.00 0.00 -1.26 -5.06 105.19 109.41 1jxf n GLY 66 Ca 0.40 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.97 1jxf n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jxf s GLU 67 N 0.00 3.74 0.46 1.61 8.01 -1.11 -4.87 118.70 126.54 1jxf s GLU 67 Ca 0.00 0.79 0.08 0.00 0.01 0.00 0.00 54.97 55.84 1jxf s GLU 67 Cb 0.00 -3.92 0.01 0.00 -4.31 0.00 0.00 34.13 25.91 1jxf s GLU 67 CO 0.00 -1.35 0.46 -1.54 0.01 0.00 0.00 175.26 172.84 1jxf s SER 68 N 2.80 5.06 0.41 -0.19 1.04 -1.26 -4.03 113.70 117.53 1jxf s SER 68 Ca 0.52 -0.80 0.06 0.00 0.48 0.00 0.00 55.95 56.21 1jxf s SER 68 Cb -0.10 -0.31 -0.07 0.00 0.10 0.00 0.00 66.02 65.64 1jxf s SER 68 CO 0.29 -0.83 0.02 -0.36 0.98 0.00 0.00 173.24 173.34 1jxf s PHE 69 N -2.53 2.35 0.03 5.02 0.08 -1.24 -4.93 117.98 116.75 1jxf s PHE 69 Ca 0.48 -0.76 -0.07 0.00 0.12 0.00 0.00 56.93 56.71 1jxf s PHE 69 Cb -0.04 -1.68 -0.00 0.00 -0.57 0.00 0.00 43.02 40.73 1jxf s PHE 69 CO 0.29 0.34 0.13 0.99 -0.10 0.00 0.00 175.22 176.87 1jxf s THR 70 N -2.83 0.11 0.12 0.64 2.01 -1.26 -0.67 115.64 113.77 1jxf s THR 70 Ca 0.32 -0.95 -0.06 0.00 0.31 0.00 0.00 61.69 61.31 1jxf s THR 70 Cb 0.09 -0.78 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 1jxf s THR 70 CO 0.16 -0.52 0.16 -0.94 -0.69 0.00 0.00 174.62 172.79 1jxf s SER 71 N -1.93 0.18 -0.28 3.53 1.04 -0.63 -4.96 113.70 110.66 1jxf s SER 71 Ca -0.08 -0.89 -0.01 0.00 0.48 0.00 0.00 55.95 55.45 1jxf s SER 71 Cb -0.03 0.35 0.05 0.00 0.10 0.00 0.00 66.02 66.48 1jxf s SER 71 CO -0.03 -0.77 -0.03 -0.89 0.98 0.00 0.00 173.24 172.50 1jxf s THR 72 N -3.95 2.81 -1.09 2.02 2.01 -1.26 -1.73 115.64 114.45 1jxf s THR 72 Ca 0.14 -1.37 -0.03 0.00 0.31 0.00 0.00 61.69 60.73 1jxf s THR 72 Cb 0.05 -2.59 0.23 0.00 0.01 0.00 0.00 72.50 70.20 1jxf s THR 72 CO -0.04 -0.04 2.13 0.49 -0.69 0.00 0.00 174.62 176.46 1jxf n PHE 73 N 4.59 2.64 -0.02 4.92 3.01 0.81 -4.67 117.46 128.74 1jxf n PHE 73 Ca -0.14 -2.61 -0.00 0.00 1.01 0.00 0.00 57.45 55.71 1jxf n PHE 73 Cb 0.44 -1.46 -0.00 0.00 -0.01 0.00 0.00 39.48 38.44 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 2.33 0.00 -2.48 4.37 2.02 -1.83 0.23 112.91 117.55 1jxf h THR 74 Ca 0.60 -0.40 -0.53 0.00 0.77 0.00 0.00 66.41 66.84 1jxf h THR 74 Cb 0.32 0.00 0.03 0.00 -1.74 0.00 0.00 68.15 66.75 1jxf h THR 74 CO 1.30 0.00 1.16 -0.70 0.37 0.00 0.00 175.52 177.64 1jxf s GLU 75 N -1.23 4.15 -0.51 6.66 2.56 -1.26 -3.77 118.70 125.29 1jxf s GLU 75 Ca -0.00 2.55 -0.28 0.00 0.00 0.00 0.00 54.97 57.24 1jxf s GLU 75 Cb 0.00 -3.87 0.01 0.00 2.00 0.00 0.00 34.13 32.26 1jxf s GLU 75 CO 0.00 -0.88 1.47 -1.25 -0.56 0.00 0.00 175.26 174.04 1jxf s PRO 76 N 3.59 3.32 0.00 4.30 0.04 -1.26 -4.88 135.00 140.11 1jxf s PRO 76 Ca 0.83 0.65 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1jxf s PRO 76 Cb -0.43 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 29.98 1jxf s PRO 76 CO 0.38 -1.90 0.00 0.41 0.04 0.00 0.00 177.00 175.92 1jxf n GLY 77 N 5.26 3.98 2.64 0.56 0.00 -1.26 -4.99 105.19 111.37 1jxf n GLY 77 Ca 0.15 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.77 0.39 -0.07 2.61 2.01 -1.26 -2.84 115.64 115.71 1jxf s THR 78 Ca 0.00 -1.06 -0.13 0.00 0.31 0.00 0.00 61.69 60.81 1jxf s THR 78 Cb 0.00 -1.31 -0.05 0.00 0.01 0.00 0.00 72.50 71.15 1jxf s THR 78 CO 0.00 -0.69 0.33 -0.31 -0.69 0.00 0.00 174.62 173.25 1jxf s TYR 79 N 1.87 3.62 -0.26 4.92 1.51 -1.14 -3.83 117.35 124.04 1jxf s TYR 79 Ca 0.09 0.79 0.02 0.00 -1.01 0.00 0.00 57.07 56.97 1jxf s TYR 79 Cb -0.17 -2.24 0.07 0.00 -0.11 0.00 0.00 41.96 39.51 1jxf s TYR 79 CO -0.31 0.54 -0.07 0.95 -1.11 0.00 0.00 175.55 175.55 1jxf s THR 80 N -0.59 1.96 -0.15 -0.71 -4.23 -1.26 -1.07 115.64 109.58 1jxf s THR 80 Ca 0.20 -1.58 -0.02 0.00 -1.18 0.00 0.00 61.69 59.11 1jxf s THR 80 Cb -0.15 -2.16 -0.02 0.00 1.34 0.00 0.00 72.50 71.51 1jxf s THR 80 CO 0.09 -0.13 -0.07 -0.72 -0.54 0.00 0.00 174.62 173.25 1jxf s TYR 81 N 1.18 2.94 0.38 3.99 1.13 -1.20 -0.77 117.35 125.00 1jxf s TYR 81 Ca -0.06 -0.48 0.05 0.00 -1.41 0.00 0.00 57.07 55.18 1jxf s TYR 81 Cb -0.19 -1.93 -0.02 0.00 -1.10 0.00 0.00 41.96 38.71 1jxf s TYR 81 CO -0.06 -0.14 0.19 2.48 -2.51 0.00 0.00 175.55 175.50 1jxf n TYR 82 N 3.65 -0.15 -3.42 -3.49 0.18 -1.04 -1.40 117.16 111.49 1jxf n TYR 82 Ca -0.18 -2.63 -0.38 0.00 1.88 0.00 0.00 57.90 56.59 1jxf n TYR 82 Cb 0.52 0.09 -0.06 0.00 -0.38 0.00 0.00 39.34 39.51 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 5.93 -0.12 0.00 0.00 5.08 -1.96 0.57 114.58 124.08 1jxf h GLU 84 Ca -0.45 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1jxf h GLU 84 Cb 1.19 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1jxf h GLU 84 CO 0.70 -0.08 0.00 -1.00 -1.00 0.00 0.00 179.01 177.63 1jxf h PRO 85 N -0.12 0.00 -2.10 2.33 0.13 -1.97 -3.31 132.00 126.96 1jxf h PRO 85 Ca 0.18 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.75 1jxf h PRO 85 Cb 0.39 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.12 1jxf h PRO 85 CO -0.43 0.00 -0.91 0.72 -0.23 0.00 0.00 178.00 177.15 1jxf n HIS 86 N -2.62 1.64 -0.09 1.56 8.25 0.52 -4.89 115.22 119.59 1jxf n HIS 86 Ca 0.03 -3.86 -0.17 0.00 -0.26 0.00 0.00 57.72 53.47 1jxf n HIS 86 Cb 0.37 -0.45 -0.10 0.00 1.12 0.00 0.00 29.99 30.93 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 3.62 0.00 -0.65 -0.41 3.08 -0.12 -2.82 114.38 117.08 1jxf h ARG 87 Ca 0.12 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.70 1jxf h ARG 87 Cb 0.77 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.44 1jxf h ARG 87 CO 0.64 0.85 -0.81 0.41 -1.07 0.00 0.00 179.97 179.99 1jxf n GLY 88 N 1.53 5.97 0.13 0.04 0.00 -1.26 -4.67 105.19 106.93 1jxf n GLY 88 Ca -0.21 -2.43 -0.19 0.00 0.00 0.00 0.00 46.02 43.19 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 -0.74 1.32 0.00 4.61 0.00 -1.26 -5.01 120.51 119.44 1jxf n ALA 89 Ca 0.39 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1jxf n ALA 89 Cb 0.93 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 20.17 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 2.20 1.28 3.51 0.00 0.00 -1.26 -5.09 105.19 105.83 1jxf n GLY 90 Ca -0.43 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 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 3.21 0.16 1.61 -2.45 -1.26 -4.95 119.30 115.62 1jxf s MET 91 Ca 0.00 -0.59 -0.08 0.00 -1.25 0.00 0.00 55.69 53.78 1jxf s MET 91 Cb 0.00 -4.33 -0.01 0.00 1.25 0.00 0.00 34.83 31.74 1jxf s MET 91 CO 0.00 -2.02 0.25 0.08 1.05 0.00 0.00 175.02 174.38 1jxf s VAL 92 N 4.96 0.07 0.15 10.11 1.01 -1.26 -3.99 120.40 131.45 1jxf s VAL 92 Ca 0.31 -1.47 0.07 0.00 0.00 0.00 0.00 61.98 60.90 1jxf s VAL 92 Cb -0.10 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1jxf s VAL 92 CO 0.10 -0.31 -0.16 -0.83 0.00 0.00 0.00 175.10 173.90 1jxf s GLY 93 N -2.98 1.28 -0.20 4.51 0.00 -0.49 -4.56 107.32 104.87 1jxf s GLY 93 Ca 0.19 -1.43 -0.03 0.00 0.00 0.00 0.00 44.72 43.45 1jxf s GLY 93 CO 0.01 -1.48 0.05 1.25 0.00 0.00 0.00 173.10 172.92 1jxf s LYS 94 N -2.81 0.56 0.06 2.90 2.36 -0.31 -3.25 119.74 119.26 1jxf s LYS 94 Ca 0.14 -0.42 -0.05 0.00 -2.55 0.00 0.00 55.97 53.09 1jxf s LYS 94 Cb -0.05 -2.03 -0.05 0.00 -1.05 0.00 0.00 37.83 34.65 1jxf s LYS 94 CO 0.05 -0.68 0.29 0.08 1.55 0.00 0.00 175.35 176.64 1jxf s VAL 95 N 1.89 5.28 -0.14 4.02 1.01 -0.24 -3.21 120.40 129.02 1jxf s VAL 95 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 1jxf s VAL 95 Cb -0.17 -3.60 0.07 0.00 0.00 0.00 0.00 36.38 32.68 1jxf s VAL 95 CO -0.10 0.22 0.22 -0.69 0.00 0.00 0.00 175.10 174.76 1jxf s VAL 96 N -1.45 -0.35 0.06 2.92 1.01 -1.00 -2.89 120.40 118.70 1jxf s VAL 96 Ca 0.33 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.50 1jxf s VAL 96 Cb -0.13 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1jxf s VAL 96 CO 0.21 0.03 0.15 -0.69 0.00 0.00 0.00 175.10 174.80 1jxf s VAL 97 N 2.36 5.02 0.00 2.92 1.01 -1.13 -3.36 120.40 127.21 1jxf s VAL 97 Ca 0.04 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1jxf s VAL 97 Cb -0.13 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1jxf s VAL 97 CO -0.09 0.16 0.00 -0.67 0.00 0.00 0.00 175.10 174.50