#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxf s ASN 2 N 0.00 1.33 -0.21 0.00 0.01 -1.26 -4.85 114.94 109.96 1jxf s ASN 2 Ca 0.00 -1.64 -0.29 0.00 -0.71 0.00 0.00 52.86 50.22 1jxf s ASN 2 Cb 0.00 0.62 -0.00 0.00 0.41 0.00 0.00 41.25 42.28 1jxf s ASN 2 CO 0.00 -1.21 1.15 0.00 -1.51 0.00 0.00 177.10 175.54 1jxf s ALA 3 N -3.17 3.65 0.03 0.60 0.00 -1.11 -4.78 121.76 116.97 1jxf s ALA 3 Ca 0.35 0.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.29 1jxf s ALA 3 Cb 0.01 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 1jxf s ALA 3 CO 0.24 -1.18 1.13 0.99 0.00 0.00 0.00 175.76 176.95 1jxf s THR 4 N 3.43 4.31 -0.29 0.00 2.01 -1.26 -0.82 115.64 123.02 1jxf s THR 4 Ca 0.49 1.66 -0.02 0.00 0.31 0.00 0.00 61.69 64.13 1jxf s THR 4 Cb -0.18 -4.06 0.12 0.00 0.01 0.00 0.00 72.50 68.39 1jxf s THR 4 CO 0.11 0.11 0.24 -0.69 -0.69 0.00 0.00 174.62 173.70 1jxf s VAL 5 N 1.20 -0.29 -0.33 3.82 1.01 -0.80 -4.48 120.40 120.53 1jxf s VAL 5 Ca 0.56 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.67 1jxf s VAL 5 Cb -0.26 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.15 1jxf s VAL 5 CO 0.28 -0.56 1.12 -1.59 0.00 0.00 0.00 175.10 174.35 1jxf s LYS 6 N 2.27 4.00 0.45 2.72 -2.85 0.91 -3.08 119.74 124.16 1jxf s LYS 6 Ca 0.09 1.04 0.17 0.00 -1.00 0.00 0.00 55.97 56.28 1jxf s LYS 6 Cb -0.15 -3.78 1.05 0.00 -2.06 0.00 0.00 37.83 32.89 1jxf s LYS 6 CO -0.34 -1.00 1.97 0.00 0.10 0.00 0.00 175.35 176.08 1jxf h MET 7 N 8.44 0.00 -4.53 1.78 -0.00 -1.80 -1.75 114.93 117.07 1jxf h MET 7 Ca -0.22 0.00 -0.45 0.00 -0.00 0.00 0.00 59.70 59.03 1jxf h MET 7 Cb 1.07 0.00 -0.32 0.00 -0.00 0.00 0.00 31.60 32.35 1jxf h MET 7 CO 1.04 0.21 -0.79 0.20 -0.00 0.00 0.00 176.91 177.57 1jxf s GLY 8 N -4.22 0.59 1.03 -3.00 0.00 -1.23 -3.33 107.32 97.15 1jxf s GLY 8 Ca -0.03 -0.32 -0.23 0.00 0.00 0.00 0.00 44.72 44.14 1jxf s GLY 8 CO 0.68 0.02 -0.89 -1.26 0.00 0.00 0.00 173.10 171.65 1jxf n SER 9 N 3.51 -3.29 -3.59 1.64 2.88 -0.88 -4.44 113.62 109.45 1jxf n SER 9 Ca -0.20 0.02 -0.40 0.00 -1.33 0.00 0.00 58.87 56.95 1jxf n SER 9 Cb 0.53 -0.71 -0.03 0.00 -0.75 0.00 0.00 64.21 63.25 1jxf n SER 9 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1jxf n ASP 10 N 1.82 3.63 -2.21 -3.46 9.92 -1.26 -4.09 116.55 120.89 1jxf n ASP 10 Ca -0.01 -2.69 -0.03 0.00 -0.53 0.00 0.00 54.79 51.53 1jxf n ASP 10 Cb 0.67 -1.33 -0.03 0.00 -0.64 0.00 0.00 41.12 39.79 1jxf n ASP 10 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1jxf n SER 11 N 6.41 -1.31 0.00 -2.24 2.88 -1.26 -4.98 113.62 113.11 1jxf n SER 11 Ca 0.52 0.88 0.00 0.00 -1.33 0.00 0.00 58.87 58.94 1jxf n SER 11 Cb 0.36 -3.78 0.00 0.00 -0.75 0.00 0.00 64.21 60.04 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 1.05 -1.25 3.29 0.46 0.00 -1.26 -5.10 105.19 102.37 1jxf n GLY 12 Ca -0.26 0.49 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 0.52 -0.54 4.61 0.00 -1.26 -5.07 121.76 120.01 1jxf s ALA 13 Ca 0.00 -1.27 -0.17 0.00 0.00 0.00 0.00 51.96 50.52 1jxf s ALA 13 Cb 0.00 1.04 0.11 0.00 0.00 0.00 0.00 23.12 24.27 1jxf s ALA 13 CO 0.00 -0.62 0.56 -0.48 0.00 0.00 0.00 175.76 175.21 1jxf s LEU 14 N -3.05 5.76 -0.06 0.00 2.34 -1.26 -2.06 118.68 120.34 1jxf s LEU 14 Ca 0.26 -1.53 -0.06 0.00 0.06 0.00 0.00 54.13 52.86 1jxf s LEU 14 Cb 0.05 -2.25 0.02 0.00 -0.56 0.00 0.00 46.19 43.44 1jxf s LEU 14 CO 0.05 -0.91 0.16 0.68 -1.06 0.00 0.00 176.35 175.28 1jxf s VAL 15 N 2.02 0.00 -0.26 1.48 -7.23 -1.22 -4.83 120.40 110.36 1jxf s VAL 15 Ca 0.07 -0.02 -0.29 0.00 -1.81 0.00 0.00 61.98 59.92 1jxf s VAL 15 Cb -0.26 -0.24 0.01 0.00 0.56 0.00 0.00 36.38 36.45 1jxf s VAL 15 CO 0.05 -0.01 1.06 -0.36 -0.31 0.00 0.00 175.10 175.53 1jxf s PHE 16 N 0.03 3.26 -0.09 2.82 0.08 -1.21 -3.57 117.98 119.30 1jxf s PHE 16 Ca -0.01 1.36 -0.04 0.00 0.12 0.00 0.00 56.93 58.37 1jxf s PHE 16 Cb -0.01 -3.42 0.04 0.00 -0.57 0.00 0.00 43.02 39.06 1jxf s PHE 16 CO 0.00 -0.62 0.20 -2.00 -0.10 0.00 0.00 175.22 172.70 1jxf s GLU 17 N 3.36 0.15 0.11 0.44 2.12 -0.66 -1.65 118.70 122.57 1jxf s GLU 17 Ca 0.45 0.48 -0.30 0.00 0.36 0.00 0.00 54.97 55.96 1jxf s GLU 17 Cb -0.14 -0.15 -0.06 0.00 0.26 0.00 0.00 34.13 34.04 1jxf s GLU 17 CO 0.09 -0.18 1.14 -1.25 -0.54 0.00 0.00 175.26 174.53 1jxf s PRO 18 N 1.32 4.50 0.45 4.30 0.04 -1.26 -0.06 135.00 144.30 1jxf s PRO 18 Ca -0.08 1.73 0.19 0.00 0.04 0.00 0.00 61.00 62.87 1jxf s PRO 18 Cb -0.11 -3.32 1.15 0.00 0.04 0.00 0.00 34.50 32.25 1jxf s PRO 18 CO -0.07 -0.11 1.92 0.66 0.04 0.00 0.00 177.00 179.44 1jxf h SER 19 N 6.09 0.29 -3.26 6.66 4.64 -1.65 -3.36 113.55 122.97 1jxf h SER 19 Ca -0.43 0.02 -0.58 0.00 -0.47 0.00 0.00 61.79 60.33 1jxf h SER 19 Cb 1.21 -0.04 -0.37 0.00 -0.31 0.00 0.00 62.40 62.90 1jxf h SER 19 CO 0.77 0.15 -0.81 -0.89 -0.87 0.00 0.00 176.83 175.17 1jxf s THR 20 N -5.31 1.39 -0.01 2.95 2.01 -1.26 -0.63 115.64 114.78 1jxf s THR 20 Ca -0.07 -0.67 0.08 0.00 0.31 0.00 0.00 61.69 61.33 1jxf s THR 20 Cb 0.21 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 71.28 1jxf s THR 20 CO 0.76 0.29 -0.24 0.68 -0.69 0.00 0.00 174.62 175.43 1jxf s VAL 21 N 1.53 1.90 -0.30 3.82 -7.23 -1.14 -5.04 120.40 113.94 1jxf s VAL 21 Ca 0.02 -1.07 -0.01 0.00 -1.81 0.00 0.00 61.98 59.11 1jxf s VAL 21 Cb -0.14 -1.59 0.10 0.00 0.56 0.00 0.00 36.38 35.31 1jxf s VAL 21 CO -0.09 0.49 0.10 -0.89 -0.31 0.00 0.00 175.10 174.40 1jxf s THR 22 N -0.60 0.71 0.50 5.32 2.01 -1.26 -2.32 115.64 119.99 1jxf s THR 22 Ca 0.09 -1.24 0.05 0.00 0.31 0.00 0.00 61.69 60.90 1jxf s THR 22 Cb -0.09 -1.52 0.05 0.00 0.01 0.00 0.00 72.50 70.95 1jxf s THR 22 CO -0.00 -0.65 0.42 2.30 -0.69 0.00 0.00 174.62 175.99 1jxf n ILE 23 N 4.92 0.00 -1.44 1.82 -5.35 -1.21 -5.01 119.36 113.09 1jxf n ILE 23 Ca -0.03 -1.93 -0.30 0.00 -0.27 0.00 0.00 62.75 60.22 1jxf n ILE 23 Cb 0.42 -0.14 0.20 0.00 -1.74 0.00 0.00 39.64 38.39 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 -4.08 -0.21 -0.30 6.28 3.01 -1.26 -2.43 119.74 120.76 1jxf s LYS 24 Ca 0.32 -0.12 -0.14 0.00 -1.01 0.00 0.00 55.97 55.01 1jxf s LYS 24 Cb -0.03 -1.72 -0.03 0.00 -1.01 0.00 0.00 37.83 35.04 1jxf s LYS 24 CO 0.20 -3.03 0.35 0.00 0.51 0.00 0.00 175.35 173.38 1jxf s ALA 25 N -3.35 3.54 0.00 5.17 0.00 -1.26 -4.01 121.76 121.84 1jxf s ALA 25 Ca 0.71 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.69 1jxf s ALA 25 Cb -0.09 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.32 1jxf s ALA 25 CO 0.55 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.93 1jxf n GLY 26 N 4.83 0.99 3.80 0.00 0.00 -0.91 -4.94 105.19 108.96 1jxf n GLY 26 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.26 0.38 1.61 2.12 -1.26 -4.55 118.70 116.74 1jxf s GLU 27 Ca 0.00 -0.33 0.04 0.00 0.36 0.00 0.00 54.97 55.04 1jxf s GLU 27 Cb 0.00 -1.73 -0.05 0.00 0.26 0.00 0.00 34.13 32.61 1jxf s GLU 27 CO 0.00 -3.03 0.06 -1.83 -0.54 0.00 0.00 175.26 169.93 1jxf s GLU 28 N -5.74 1.82 0.02 4.30 -1.05 -1.26 -1.48 118.70 115.31 1jxf s GLU 28 Ca 0.74 -2.06 0.05 0.00 -0.15 0.00 0.00 54.97 53.54 1jxf s GLU 28 Cb -0.05 -0.99 -0.02 0.00 -0.44 0.00 0.00 34.13 32.63 1jxf s GLU 28 CO 0.54 -0.26 -0.14 0.08 0.95 0.00 0.00 175.26 176.44 1jxf s VAL 29 N -3.14 1.10 0.23 1.83 1.01 -0.90 -2.75 120.40 117.77 1jxf s VAL 29 Ca 0.30 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.49 1jxf s VAL 29 Cb 0.07 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1jxf s VAL 29 CO 0.14 0.10 0.09 -0.75 0.00 0.00 0.00 175.10 174.69 1jxf s LYS 30 N -0.87 2.63 -0.26 2.72 2.20 -0.00 -1.81 119.74 124.35 1jxf s LYS 30 Ca 0.03 -1.15 0.00 0.00 -0.36 0.00 0.00 55.97 54.49 1jxf s LYS 30 Cb -0.07 -2.41 0.08 0.00 -1.51 0.00 0.00 37.83 33.91 1jxf s LYS 30 CO 0.01 0.41 0.01 -1.58 -0.36 0.00 0.00 175.35 173.84 1jxf s TRP 31 N -2.07 2.22 -0.43 4.03 0.51 -0.31 -1.91 118.94 120.98 1jxf s TRP 31 Ca 0.31 -1.81 -0.28 0.00 -2.12 0.00 0.00 56.10 52.20 1jxf s TRP 31 Cb -0.08 -1.73 0.03 0.00 -0.81 0.00 0.00 33.47 30.87 1jxf s TRP 31 CO 0.22 -0.80 1.08 0.08 -0.51 0.00 0.00 176.95 177.01 1jxf s VAL 32 N 1.45 4.34 -0.46 4.03 1.01 -1.18 -2.28 120.40 127.31 1jxf s VAL 32 Ca 0.01 1.26 -0.29 0.00 0.00 0.00 0.00 61.98 62.97 1jxf s VAL 32 Cb -0.18 -4.52 0.03 0.00 0.00 0.00 0.00 36.38 31.70 1jxf s VAL 32 CO -0.12 -0.84 1.19 0.20 0.00 0.00 0.00 175.10 175.54 1jxf s ASN 33 N 2.22 6.59 0.00 3.32 -0.87 -1.19 -3.86 114.94 121.16 1jxf s ASN 33 Ca 0.45 0.57 0.00 0.00 -1.57 0.00 0.00 52.86 52.32 1jxf s ASN 33 Cb -0.09 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.59 1jxf s ASN 33 CO 0.27 -1.27 0.00 0.59 -2.57 0.00 0.00 177.10 174.12 1jxf n ASN 34 N 7.98 0.00 -3.73 -1.22 3.02 -1.26 -3.85 115.26 116.19 1jxf n ASN 34 Ca 0.13 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.46 1jxf n ASN 34 Cb 0.49 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.58 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 1.82 -0.45 3.52 -0.14 -1.26 -4.63 119.74 118.60 1jxf s LYS 35 Ca 0.00 -2.08 0.00 0.00 -1.36 0.00 0.00 55.97 52.53 1jxf s LYS 35 Cb 0.00 -0.10 0.00 0.00 -1.68 0.00 0.00 37.83 36.05 1jxf s LYS 35 CO 0.00 -0.57 0.00 1.28 -0.76 0.00 0.00 175.35 175.30 1jxf n LEU 36 N -0.75 -1.24 -4.91 3.17 7.99 -1.26 -4.55 117.00 115.46 1jxf n LEU 36 Ca 0.01 -0.00 -0.28 0.00 -0.01 0.00 0.00 56.01 55.73 1jxf n LEU 36 Cb 0.64 -1.11 0.02 0.00 -0.11 0.00 0.00 43.42 42.85 1jxf n LEU 36 CO 0.33 -0.06 0.55 -0.44 -1.51 0.00 0.00 177.39 176.27 1jxf s SER 37 N -2.76 5.86 0.63 -1.43 0.01 -1.26 -4.35 113.70 110.40 1jxf s SER 37 Ca 0.00 0.90 -0.14 0.00 1.31 0.00 0.00 55.95 58.03 1jxf s SER 37 Cb 0.00 -1.99 -0.02 0.00 0.21 0.00 0.00 66.02 64.22 1jxf s SER 37 CO 0.00 -0.91 1.05 -2.16 0.41 0.00 0.00 173.24 171.63 1jxf s PRO 38 N -4.97 3.21 -0.19 12.44 0.04 -1.25 -5.06 135.00 139.21 1jxf s PRO 38 Ca 0.52 1.08 -0.01 0.00 0.04 0.00 0.00 61.00 62.63 1jxf s PRO 38 Cb -0.11 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.46 1jxf s PRO 38 CO 0.47 -0.89 -0.04 -1.01 0.04 0.00 0.00 177.00 175.57 1jxf s HIS 39 N -2.72 1.76 0.30 0.56 3.76 -1.26 -4.97 115.29 112.71 1jxf s HIS 39 Ca 0.61 -1.22 0.04 0.00 -0.15 0.00 0.00 55.06 54.34 1jxf s HIS 39 Cb -0.15 -1.33 -0.02 0.00 1.11 0.00 0.00 32.58 32.19 1jxf s HIS 39 CO 0.44 -0.66 0.45 0.54 -0.85 0.00 0.00 174.74 174.67 1jxf s ASN 40 N 1.61 6.18 -0.31 1.40 2.20 -1.26 -4.69 114.94 120.07 1jxf s ASN 40 Ca -0.01 0.08 0.01 0.00 -0.94 0.00 0.00 52.86 52.00 1jxf s ASN 40 Cb -0.17 -1.69 0.09 0.00 -2.00 0.00 0.00 41.25 37.49 1jxf s ASN 40 CO -0.07 -0.26 0.06 -0.63 -2.94 0.00 0.00 177.10 173.25 1jxf s ILE 41 N -2.14 1.54 -0.38 0.54 1.09 -0.09 -4.56 121.20 117.20 1jxf s ILE 41 Ca 0.39 -1.76 -0.09 0.00 -1.10 0.00 0.00 60.65 58.09 1jxf s ILE 41 Cb -0.09 -2.10 0.05 0.00 -1.06 0.00 0.00 42.46 39.25 1jxf s ILE 41 CO 0.32 -0.57 0.20 0.68 -0.10 0.00 0.00 174.94 175.47 1jxf s VAL 42 N 1.29 4.30 -0.63 2.92 -7.23 -1.16 0.26 120.40 120.15 1jxf s VAL 42 Ca 0.08 -1.08 -0.24 0.00 -1.81 0.00 0.00 61.98 58.93 1jxf s VAL 42 Cb -0.18 -3.48 0.05 0.00 0.56 0.00 0.00 36.38 33.34 1jxf s VAL 42 CO -0.16 -0.31 1.00 -0.36 -0.31 0.00 0.00 175.10 174.97 1jxf s PHE 43 N 1.48 2.66 -0.64 2.82 0.08 -1.26 -2.70 117.98 120.41 1jxf s PHE 43 Ca 0.01 -0.29 -0.28 0.00 0.12 0.00 0.00 56.93 56.50 1jxf s PHE 43 Cb -0.20 -4.26 0.03 0.00 -0.57 0.00 0.00 43.02 38.01 1jxf s PHE 43 CO 0.04 -1.60 1.23 0.00 -0.10 0.00 0.00 175.22 174.79 1jxf s ALA 44 N 4.26 2.89 -1.00 5.36 0.00 0.02 -4.67 121.76 128.63 1jxf s ALA 44 Ca 0.27 -1.04 -0.24 0.00 0.00 0.00 0.00 51.96 50.94 1jxf s ALA 44 Cb -0.14 -4.13 -0.26 0.00 0.00 0.00 0.00 23.12 18.60 1jxf s ALA 44 CO 0.14 -2.92 2.53 0.00 0.00 0.00 0.00 175.76 175.51 1jxf n ALA 45 N 8.83 0.54 -3.62 0.00 0.00 -1.26 -4.32 120.51 120.68 1jxf n ALA 45 Ca 0.06 -0.44 -0.27 0.00 0.00 0.00 0.00 53.44 52.79 1jxf n ALA 45 Cb 0.49 -2.30 -0.10 0.00 0.00 0.00 0.00 19.45 17.54 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 8.98 2.66 0.00 0.00 9.92 -1.26 -4.74 116.55 132.11 1jxf n ASP 46 Ca 0.66 -3.16 0.00 0.00 -0.53 0.00 0.00 54.79 51.77 1jxf n ASP 46 Cb 0.06 -0.70 0.00 0.00 -0.64 0.00 0.00 41.12 39.85 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 1.63 1.49 3.95 0.44 0.00 -1.26 -4.75 105.19 106.68 1jxf n GLY 47 Ca 0.25 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 0.00 -2.57 1.61 3.14 -1.25 -4.86 118.33 114.40 1jxf n VAL 48 Ca 0.00 -1.77 -0.38 0.00 -2.96 0.00 0.00 64.34 59.23 1jxf n VAL 48 Cb 0.00 -0.70 -0.05 0.00 -1.06 0.00 0.00 33.84 32.03 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 -4.90 7.01 0.04 6.55 1.11 -1.26 -4.86 116.67 120.37 1jxf s ASP 49 Ca 0.65 2.06 -0.29 0.00 0.18 0.00 0.00 52.55 55.15 1jxf s ASP 49 Cb -0.04 -2.60 -0.17 0.00 1.07 0.00 0.00 42.92 41.18 1jxf s ASP 49 CO 0.42 -0.31 1.45 0.00 1.18 0.00 0.00 175.17 177.91 1jxf h ALA 50 N 3.01 -0.66 -0.81 5.23 0.00 -1.97 -0.88 119.26 123.18 1jxf h ALA 50 Ca -0.47 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.43 1jxf h ALA 50 Cb 1.21 0.26 -0.15 0.00 0.00 0.00 0.00 17.79 19.11 1jxf h ALA 50 CO 0.64 -0.80 -0.10 -0.44 0.00 0.00 0.00 179.25 178.55 1jxf h ASP 51 N -0.81 -0.57 0.71 0.00 3.32 -1.98 1.47 116.42 118.56 1jxf h ASP 51 Ca -0.07 0.23 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 1jxf h ASP 51 Cb 0.57 0.44 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1jxf h ASP 51 CO 0.11 -0.24 -0.46 0.74 -1.72 0.00 0.00 179.24 177.67 1jxf h THR 52 N 0.04 0.08 0.00 0.35 2.02 -1.91 -0.54 112.91 112.95 1jxf h THR 52 Ca 0.42 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.60 1jxf h THR 52 Cb 0.71 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1jxf h THR 52 CO -0.78 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.11 1jxf h ALA 53 N -0.95 1.00 0.77 6.16 0.00 0.44 0.10 119.26 126.77 1jxf h ALA 53 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1jxf h ALA 53 Cb 0.90 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1jxf h ALA 53 CO 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 179.25 178.96 1jxf h ALA 54 N 2.02 -1.03 -0.12 0.00 0.00 0.36 -0.64 119.26 119.85 1jxf h ALA 54 Ca 0.00 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.48 1jxf h ALA 54 Cb 0.03 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1jxf h ALA 54 CO 0.00 -0.97 -0.74 -0.22 0.00 0.00 0.00 179.25 177.31 1jxf h LYS 55 N -1.24 0.60 -0.14 0.00 1.63 -1.05 -2.79 116.57 113.58 1jxf h LYS 55 Ca -0.11 -0.49 0.04 0.00 -0.85 0.00 0.00 60.65 59.25 1jxf h LYS 55 Cb 0.80 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.52 1jxf h LYS 55 CO 0.17 1.11 0.18 -0.07 -3.45 0.00 0.00 179.45 177.39 1jxf h LEU 56 N 0.41 0.00 -9.42 5.20 4.07 -0.84 -3.40 115.31 111.34 1jxf h LEU 56 Ca -0.04 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 57.36 1jxf h LEU 56 Cb 1.35 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 43.03 1jxf h LEU 56 CO 0.14 0.00 0.05 -0.94 -1.08 0.00 0.00 178.44 176.61 1jxf s SER 57 N -5.66 6.98 -0.30 -0.43 1.04 -0.25 -4.78 113.70 110.31 1jxf s SER 57 Ca -0.05 1.18 -0.00 0.00 0.48 0.00 0.00 55.95 57.55 1jxf s SER 57 Cb 0.15 -2.39 0.09 0.00 0.10 0.00 0.00 66.02 63.97 1jxf s SER 57 CO 0.52 -0.03 0.08 -1.38 0.98 0.00 0.00 173.24 173.40 1jxf s HIS 58 N 0.41 1.87 0.00 5.02 -3.43 0.14 -4.92 115.29 114.38 1jxf s HIS 58 Ca 0.35 -1.76 0.00 0.00 -0.80 0.00 0.00 55.06 52.84 1jxf s HIS 58 Cb -0.18 -1.75 0.00 0.00 -1.43 0.00 0.00 32.58 29.23 1jxf s HIS 58 CO 0.18 -0.85 0.35 1.63 -2.00 0.00 0.00 174.74 174.05 1jxf n LYS 59 N 4.80 0.00 0.00 -0.38 4.01 -1.25 -0.91 118.16 124.43 1jxf n LYS 59 Ca -0.03 0.28 0.00 0.00 -0.51 0.00 0.00 58.31 58.05 1jxf n LYS 59 Cb 0.43 -1.01 0.00 0.00 -0.51 0.00 0.00 35.03 33.94 1jxf n LYS 59 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1jxf n GLY 60 N 0.86 0.78 2.84 0.72 0.00 -1.26 -4.16 105.19 104.96 1jxf n GLY 60 Ca 0.00 -0.72 0.03 0.00 0.00 0.00 0.00 46.02 45.33 1jxf n GLY 60 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jxf s LEU 61 N 0.00 -0.08 0.14 0.99 2.96 -1.26 -4.82 118.68 116.61 1jxf s LEU 61 Ca 0.00 -0.02 -0.18 0.00 -0.22 0.00 0.00 54.13 53.71 1jxf s LEU 61 Cb 0.00 0.42 -0.07 0.00 0.50 0.00 0.00 46.19 47.04 1jxf s LEU 61 CO 0.00 -0.01 0.61 0.00 -1.32 0.00 0.00 176.35 175.63 1jxf s ALA 62 N 2.33 3.54 -0.06 5.97 0.00 -1.26 -4.97 121.76 127.30 1jxf s ALA 62 Ca 0.20 0.02 0.11 0.00 0.00 0.00 0.00 51.96 52.29 1jxf s ALA 62 Cb 0.03 -2.66 0.19 0.00 0.00 0.00 0.00 23.12 20.68 1jxf s ALA 62 CO -0.18 0.40 1.09 1.19 0.00 0.00 0.00 175.76 178.25 1jxf n PHE 63 N 1.14 0.00 -4.17 0.00 3.01 -1.26 -3.93 117.46 112.25 1jxf n PHE 63 Ca -0.06 -0.54 -0.16 0.00 1.01 0.00 0.00 57.45 57.69 1jxf n PHE 63 Cb 0.51 -0.11 -0.15 0.00 -0.01 0.00 0.00 39.48 39.72 1jxf n PHE 63 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jxf s ALA 64 N -1.31 0.47 -1.28 4.37 0.00 -1.26 -5.07 121.76 117.67 1jxf s ALA 64 Ca 0.19 -0.21 -0.14 0.00 0.00 0.00 0.00 51.96 51.79 1jxf s ALA 64 Cb 0.18 -0.14 0.12 0.00 0.00 0.00 0.00 23.12 23.28 1jxf s ALA 64 CO -0.01 0.10 1.71 0.00 0.00 0.00 0.00 175.76 177.56 1jxf n ALA 65 N 3.04 4.23 0.00 0.00 0.00 -1.26 -3.62 120.51 122.90 1jxf n ALA 65 Ca -0.14 -4.08 0.00 0.00 0.00 0.00 0.00 53.44 49.22 1jxf n ALA 65 Cb 0.57 -3.28 0.00 0.00 0.00 0.00 0.00 19.45 16.74 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 4.30 0.13 3.78 0.00 0.00 -1.25 -5.01 105.19 107.14 1jxf n GLY 66 Ca 0.43 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.95 4.26 -0.02 1.61 2.02 -1.24 -4.85 118.70 119.53 1jxf s GLU 67 Ca 0.00 1.60 0.00 0.00 0.02 0.00 0.00 54.97 56.59 1jxf s GLU 67 Cb 0.00 -2.69 0.02 0.00 0.10 0.00 0.00 34.13 31.56 1jxf s GLU 67 CO 0.00 -0.08 0.00 -1.54 0.02 0.00 0.00 175.26 173.66 1jxf s SER 68 N -1.38 0.22 0.98 -0.19 1.04 -1.25 -3.14 113.70 109.98 1jxf s SER 68 Ca 0.55 -0.01 -0.15 0.00 0.48 0.00 0.00 55.95 56.82 1jxf s SER 68 Cb -0.25 -0.11 0.18 0.00 0.10 0.00 0.00 66.02 65.95 1jxf s SER 68 CO 0.31 -0.07 1.20 -0.36 0.98 0.00 0.00 173.24 175.30 1jxf s PHE 69 N 0.69 1.81 0.04 5.02 0.08 -0.97 -4.69 117.98 119.97 1jxf s PHE 69 Ca -0.06 0.58 -0.08 0.00 0.12 0.00 0.00 56.93 57.49 1jxf s PHE 69 Cb -0.09 -3.67 -0.00 0.00 -0.57 0.00 0.00 43.02 38.69 1jxf s PHE 69 CO -0.02 -2.73 0.15 0.99 -0.10 0.00 0.00 175.22 173.52 1jxf s THR 70 N -3.46 0.12 -0.02 0.64 2.01 -1.26 -1.16 115.64 112.51 1jxf s THR 70 Ca 0.69 -1.02 -0.07 0.00 0.31 0.00 0.00 61.69 61.59 1jxf s THR 70 Cb -0.10 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.46 1jxf s THR 70 CO 0.53 -0.57 0.16 -0.55 -0.69 0.00 0.00 174.62 173.50 1jxf s SER 71 N -2.20 -0.05 -0.40 3.53 0.15 -0.75 -4.90 113.70 109.09 1jxf s SER 71 Ca -0.04 -0.00 -0.23 0.00 0.70 0.00 0.00 55.95 56.38 1jxf s SER 71 Cb -0.00 0.26 0.02 0.00 -1.71 0.00 0.00 66.02 64.58 1jxf s SER 71 CO -0.05 -0.27 0.77 -0.89 1.20 0.00 0.00 173.24 174.01 1jxf s THR 72 N -0.87 4.71 -0.73 6.45 2.01 -1.26 -2.11 115.64 123.84 1jxf s THR 72 Ca -0.10 0.67 -0.01 0.00 0.31 0.00 0.00 61.69 62.57 1jxf s THR 72 Cb -0.05 -4.24 0.39 0.00 0.01 0.00 0.00 72.50 68.60 1jxf s THR 72 CO 0.01 -0.54 1.90 0.49 -0.69 0.00 0.00 174.62 175.79 1jxf n PHE 73 N 6.51 3.08 0.00 4.92 3.01 -0.55 -4.71 117.46 129.72 1jxf n PHE 73 Ca 0.02 -2.59 0.00 0.00 1.01 0.00 0.00 57.45 55.89 1jxf n PHE 73 Cb 0.48 -1.11 0.00 0.00 -0.01 0.00 0.00 39.48 38.84 1jxf n PHE 73 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1jxf n THR 74 N -0.65 0.00 -1.69 4.37 -2.24 -1.25 -2.14 114.28 110.68 1jxf n THR 74 Ca 0.54 0.72 -0.53 0.00 -2.27 0.00 0.00 64.05 62.51 1jxf n THR 74 Cb 0.43 -1.71 -0.06 0.00 -2.10 0.00 0.00 70.33 66.89 1jxf n THR 74 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1jxf n GLU 75 N -1.98 1.60 -2.31 -0.78 4.07 -1.26 -3.56 120.64 116.42 1jxf n GLU 75 Ca 0.00 0.58 -0.40 0.00 -0.06 0.00 0.00 57.16 57.28 1jxf n GLU 75 Cb 0.00 -2.35 -0.03 0.00 -0.06 0.00 0.00 31.44 29.00 1jxf n GLU 75 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1jxf s PRO 76 N 3.87 2.96 0.00 5.31 0.04 -1.26 -4.76 135.00 141.16 1jxf s PRO 76 Ca 0.96 0.22 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1jxf s PRO 76 Cb -0.90 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 29.37 1jxf s PRO 76 CO 0.60 -2.38 0.00 0.41 0.04 0.00 0.00 177.00 175.67 1jxf n GLY 77 N 5.51 4.18 2.77 0.56 0.00 -1.23 -4.94 105.19 112.02 1jxf n GLY 77 Ca 0.12 -0.41 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 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 0.30 -0.33 -0.09 2.61 -1.32 -1.26 -2.36 115.64 113.18 1jxf s THR 78 Ca 0.00 -0.08 -0.02 0.00 -1.21 0.00 0.00 61.69 60.38 1jxf s THR 78 Cb 0.00 -0.65 -0.03 0.00 -1.51 0.00 0.00 72.50 70.31 1jxf s THR 78 CO 0.00 -0.18 -0.01 -0.31 -2.21 0.00 0.00 174.62 171.92 1jxf s TYR 79 N 2.33 3.12 -0.25 9.09 1.51 -1.13 -3.78 117.35 128.24 1jxf s TYR 79 Ca 0.06 0.12 -0.02 0.00 -1.01 0.00 0.00 57.07 56.22 1jxf s TYR 79 Cb -0.15 -1.81 0.02 0.00 -0.11 0.00 0.00 41.96 39.91 1jxf s TYR 79 CO -0.12 0.39 -0.06 0.99 -1.11 0.00 0.00 175.55 175.64 1jxf s THR 80 N -0.70 2.89 -0.08 -0.71 2.01 -1.26 0.25 115.64 118.03 1jxf s THR 80 Ca 0.11 -1.00 0.04 0.00 0.31 0.00 0.00 61.69 61.15 1jxf s THR 80 Cb -0.12 -2.46 -0.01 0.00 0.01 0.00 0.00 72.50 69.93 1jxf s THR 80 CO 0.02 0.21 -0.22 -0.72 -0.69 0.00 0.00 174.62 173.22 1jxf s TYR 81 N 1.33 2.56 0.32 4.92 1.13 -0.19 -0.80 117.35 126.62 1jxf s TYR 81 Ca 0.00 -0.75 0.07 0.00 -1.41 0.00 0.00 57.07 54.99 1jxf s TYR 81 Cb -0.16 -1.68 -0.03 0.00 -1.10 0.00 0.00 41.96 38.99 1jxf s TYR 81 CO -0.04 -0.24 0.28 2.48 -2.51 0.00 0.00 175.55 175.52 1jxf n TYR 82 N 3.15 -0.80 -2.72 -3.49 0.18 -1.10 0.56 117.16 112.95 1jxf n TYR 82 Ca -0.18 -2.71 -0.40 0.00 1.88 0.00 0.00 57.90 56.49 1jxf n TYR 82 Cb 0.52 0.29 -0.06 0.00 -0.38 0.00 0.00 39.34 39.72 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 4.40 -0.04 -0.00 0.00 4.81 -1.94 -1.74 114.58 120.06 1jxf h GLU 84 Ca -0.45 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.77 1jxf h GLU 84 Cb 1.20 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1jxf h GLU 84 CO 0.69 0.21 -0.06 -1.00 -0.73 0.00 0.00 179.01 178.12 1jxf h PRO 85 N -0.30 0.05 -1.81 0.92 0.13 -1.97 -3.27 132.00 125.75 1jxf h PRO 85 Ca -0.00 -0.04 -0.34 0.00 -0.87 0.00 0.00 66.00 64.74 1jxf h PRO 85 Cb 0.28 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 31.29 1jxf h PRO 85 CO 0.01 0.78 0.26 0.72 -0.23 0.00 0.00 178.00 179.54 1jxf n HIS 86 N -4.68 1.22 1.67 1.56 8.25 -1.24 -4.29 115.22 117.70 1jxf n HIS 86 Ca -0.09 -1.81 0.15 0.00 -0.26 0.00 0.00 57.72 55.71 1jxf n HIS 86 Cb 0.40 -1.16 0.71 0.00 1.12 0.00 0.00 29.99 31.06 1jxf n HIS 86 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1jxf n ARG 87 N 0.93 1.14 -2.70 -0.41 -4.01 -0.66 -3.90 116.66 107.06 1jxf n ARG 87 Ca 0.36 -0.39 -0.09 0.00 -1.04 0.00 0.00 57.85 56.69 1jxf n ARG 87 Cb 0.61 -1.49 0.05 0.00 -3.04 0.00 0.00 32.46 28.58 1jxf n ARG 87 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1jxf n GLY 88 N 1.14 1.58 1.24 2.89 0.00 -1.26 -4.88 105.19 105.89 1jxf n GLY 88 Ca 0.20 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.16 2.69 0.00 4.61 0.00 -1.25 -5.06 120.51 121.34 1jxf n ALA 89 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1jxf n ALA 89 Cb 0.81 0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.37 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 1.84 0.00 2.58 0.00 0.00 -1.26 -5.14 105.19 103.21 1jxf n GLY 90 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 0.31 0.21 1.61 0.00 -1.25 -4.89 119.30 115.30 1jxf s MET 91 Ca 0.00 -0.68 -0.07 0.00 0.00 0.00 0.00 55.69 54.95 1jxf s MET 91 Cb 0.00 -1.34 -0.02 0.00 0.00 0.00 0.00 34.83 33.47 1jxf s MET 91 CO 0.00 -1.02 0.29 0.08 0.00 0.00 0.00 175.02 174.37 1jxf s VAL 92 N 1.96 0.01 -0.10 10.11 1.01 -1.26 -2.98 120.40 129.15 1jxf s VAL 92 Ca 0.10 -1.69 -0.08 0.00 0.00 0.00 0.00 61.98 60.31 1jxf s VAL 92 Cb -0.17 -2.29 0.03 0.00 0.00 0.00 0.00 36.38 33.95 1jxf s VAL 92 CO -0.33 -0.05 0.25 -0.83 0.00 0.00 0.00 175.10 174.14 1jxf s GLY 93 N -3.08 -0.18 -0.11 4.51 0.00 0.19 -4.51 107.32 104.14 1jxf s GLY 93 Ca 0.29 0.76 -0.01 0.00 0.00 0.00 0.00 44.72 45.76 1jxf s GLY 93 CO 0.09 0.72 -0.07 1.25 0.00 0.00 0.00 173.10 175.09 1jxf s LYS 94 N 0.33 3.23 0.07 2.90 2.20 0.20 -1.02 119.74 127.64 1jxf s LYS 94 Ca -0.02 -0.57 0.07 0.00 -0.36 0.00 0.00 55.97 55.09 1jxf s LYS 94 Cb -0.03 -2.72 -0.04 0.00 -1.51 0.00 0.00 37.83 33.53 1jxf s LYS 94 CO -0.01 0.41 -0.13 0.08 -0.36 0.00 0.00 175.35 175.34 1jxf s VAL 95 N -0.13 3.15 -0.29 4.02 1.01 0.14 -2.90 120.40 125.40 1jxf s VAL 95 Ca 0.01 -1.18 -0.02 0.00 0.00 0.00 0.00 61.98 60.80 1jxf s VAL 95 Cb -0.13 -2.40 0.12 0.00 0.00 0.00 0.00 36.38 33.97 1jxf s VAL 95 CO 0.03 0.24 0.24 -0.69 0.00 0.00 0.00 175.10 174.92 1jxf s VAL 96 N -1.07 -0.30 -0.00 2.92 1.01 -0.98 -2.82 120.40 119.16 1jxf s VAL 96 Ca 0.18 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 1jxf s VAL 96 Cb -0.11 -0.98 -0.06 0.00 0.00 0.00 0.00 36.38 35.23 1jxf s VAL 96 CO 0.09 -0.55 0.46 -0.69 0.00 0.00 0.00 175.10 174.42 1jxf s VAL 97 N 2.28 4.98 -2.48 2.92 1.01 -1.00 -3.33 120.40 124.78 1jxf s VAL 97 Ca 0.09 0.96 0.28 0.00 0.00 0.00 0.00 61.98 63.31 1jxf s VAL 97 Cb -0.15 -3.78 0.56 0.00 0.00 0.00 0.00 36.38 33.02 1jxf s VAL 97 CO -0.34 0.53 1.77 -0.67 0.00 0.00 0.00 175.10 176.38