#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxm n SER 2 N 0.00 3.64 -4.60 0.00 7.64 -1.26 -4.60 113.62 114.44 2jxm n SER 2 Ca 0.00 1.03 -0.31 0.00 1.01 0.00 0.00 58.87 60.60 2jxm n SER 2 Cb 0.00 -1.49 -0.08 0.00 -1.01 0.00 0.00 64.21 61.63 2jxm n SER 2 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2jxm s VAL 3 N 2.08 1.13 0.01 0.44 -7.23 -0.92 -5.01 120.40 110.90 2jxm s VAL 3 Ca 0.81 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.94 2jxm s VAL 3 Cb -0.58 -2.31 -0.01 0.00 0.56 0.00 0.00 36.38 34.04 2jxm s VAL 3 CO 0.39 0.00 0.07 0.00 -0.31 0.00 0.00 175.10 175.25 2jxm s GLN 4 N -3.82 0.45 -0.28 4.82 -2.07 -1.26 -0.61 119.66 116.89 2jxm s GLN 4 Ca 0.14 -0.54 -0.01 0.00 -1.82 0.00 0.00 55.36 53.13 2jxm s GLN 4 Cb 0.03 0.18 0.04 0.00 -1.09 0.00 0.00 33.01 32.17 2jxm s GLN 4 CO 0.07 -0.10 -0.03 0.42 -1.32 0.00 0.00 175.29 174.33 2jxm s ILE 5 N -1.64 2.88 -0.08 3.63 -1.09 0.50 -4.43 121.20 120.98 2jxm s ILE 5 Ca -0.13 -1.25 -0.17 0.00 -2.23 0.00 0.00 60.65 56.87 2jxm s ILE 5 Cb -0.07 -2.58 -0.05 0.00 -1.58 0.00 0.00 42.46 38.18 2jxm s ILE 5 CO -0.00 0.02 0.44 -0.54 -1.23 0.00 0.00 174.94 173.63 2jxm s LYS 6 N 1.27 4.20 -0.56 2.79 1.02 0.44 0.02 119.74 128.92 2jxm s LYS 6 Ca -0.03 0.41 -0.10 0.00 0.02 0.00 0.00 55.97 56.27 2jxm s LYS 6 Cb -0.18 -3.36 0.14 0.00 -0.52 0.00 0.00 37.83 33.91 2jxm s LYS 6 CO -0.03 0.35 0.45 -1.64 -0.92 0.00 0.00 175.35 173.56 2jxm s MET 7 N 0.02 2.73 0.00 1.68 -1.94 -0.14 0.57 119.30 122.21 2jxm s MET 7 Ca 0.24 -1.98 0.00 0.00 -1.71 0.00 0.00 55.69 52.24 2jxm s MET 7 Cb -0.16 -4.03 0.00 0.00 2.01 0.00 0.00 34.83 32.66 2jxm s MET 7 CO 0.11 -1.22 0.00 0.41 -0.01 0.00 0.00 175.02 174.30 2jxm n GLY 8 N 4.60 3.34 3.77 -0.03 0.00 0.83 -1.05 105.19 116.65 2jxm n GLY 8 Ca -0.03 -1.63 -0.22 0.00 0.00 0.00 0.00 46.02 44.14 2jxm n GLY 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jxm s THR 9 N -1.45 4.02 -0.00 2.61 -4.23 0.17 -4.61 115.64 112.15 2jxm s THR 9 Ca 0.00 -1.55 0.27 0.00 -1.18 0.00 0.00 61.69 59.22 2jxm s THR 9 Cb 0.00 -3.21 0.27 0.00 1.34 0.00 0.00 72.50 70.89 2jxm s THR 9 CO 0.00 -0.33 1.82 -0.78 -0.54 0.00 0.00 174.62 174.78 2jxm h ASP 10 N 1.58 0.00 -0.53 3.99 3.58 -1.99 -1.32 116.42 121.73 2jxm h ASP 10 Ca -0.47 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 56.62 2jxm h ASP 10 Cb 1.24 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 42.14 2jxm h ASP 10 CO 0.61 0.00 0.46 0.29 -2.88 0.00 0.00 179.24 177.72 2jxm n LYS 11 N -2.44 1.89 -2.28 0.28 5.02 -1.26 -4.80 118.16 114.57 2jxm n LYS 11 Ca -0.02 -1.74 0.00 0.00 -2.02 0.00 0.00 58.31 54.53 2jxm n LYS 11 Cb 0.05 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.38 2jxm n LYS 11 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2jxm n TYR 12 N 0.20 -1.79 -3.69 2.13 4.02 -0.50 -4.84 117.16 112.69 2jxm n TYR 12 Ca 0.33 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.85 2jxm n TYR 12 Cb 0.60 -0.91 -0.12 0.00 -0.02 0.00 0.00 39.34 38.89 2jxm n TYR 12 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jxm s ALA 13 N -1.79 3.24 -0.74 -0.72 0.00 -1.20 -4.92 121.76 115.63 2jxm s ALA 13 Ca 0.00 -1.26 -0.26 0.00 0.00 0.00 0.00 51.96 50.44 2jxm s ALA 13 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.87 2jxm s ALA 13 CO 0.00 -0.71 1.60 -1.25 0.00 0.00 0.00 175.76 175.40 2jxm s PRO 14 N 1.62 2.95 -0.00 0.00 0.04 -1.26 0.43 135.00 138.78 2jxm s PRO 14 Ca 0.05 -0.03 -0.16 0.00 0.04 0.00 0.00 61.00 60.90 2jxm s PRO 14 Cb -0.16 -4.50 0.03 0.00 0.04 0.00 0.00 34.50 29.90 2jxm s PRO 14 CO 0.05 -2.52 0.35 -0.48 0.04 0.00 0.00 177.00 174.45 2jxm s LEU 15 N 7.40 0.69 -0.06 -3.56 0.05 -1.26 -4.08 118.68 117.86 2jxm s LEU 15 Ca 0.52 0.09 -0.30 0.00 0.05 0.00 0.00 54.13 54.49 2jxm s LEU 15 Cb -0.09 1.43 -0.03 0.00 -2.05 0.00 0.00 46.19 45.46 2jxm s LEU 15 CO 0.12 -0.51 1.12 -0.31 -0.55 0.00 0.00 176.35 176.22 2jxm s TYR 16 N -1.61 3.36 -0.03 3.48 2.02 -1.26 -0.12 117.35 123.19 2jxm s TYR 16 Ca -0.11 1.39 0.03 0.00 -0.37 0.00 0.00 57.07 58.01 2jxm s TYR 16 Cb -0.04 -3.32 0.00 0.00 -0.40 0.00 0.00 41.96 38.21 2jxm s TYR 16 CO 0.03 -0.83 -0.11 -2.00 -1.57 0.00 0.00 175.55 171.07 2jxm s GLU 17 N 1.94 1.23 0.30 -0.62 2.12 0.19 -1.61 118.70 122.25 2jxm s GLU 17 Ca 0.53 -0.38 -0.29 0.00 0.36 0.00 0.00 54.97 55.19 2jxm s GLU 17 Cb -0.23 -1.10 -0.09 0.00 0.26 0.00 0.00 34.13 32.97 2jxm s GLU 17 CO 0.22 0.13 1.07 -1.25 -0.54 0.00 0.00 175.26 174.89 2jxm s PRO 18 N 0.22 4.59 0.37 4.30 0.04 -1.26 0.17 135.00 143.42 2jxm s PRO 18 Ca -0.05 1.72 0.20 0.00 0.04 0.00 0.00 61.00 62.92 2jxm s PRO 18 Cb -0.10 -3.09 1.33 0.00 0.04 0.00 0.00 34.50 32.67 2jxm s PRO 18 CO 0.01 0.19 1.58 -0.22 0.04 0.00 0.00 177.00 178.60 2jxm h LYS 19 N 3.63 0.01 -6.78 4.56 3.64 -1.63 -3.37 116.57 116.63 2jxm h LYS 19 Ca -0.47 -0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.22 2jxm h LYS 19 Cb 1.21 -0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 32.78 2jxm h LYS 19 CO 0.66 0.01 -0.88 0.00 -2.27 0.00 0.00 179.45 176.97 2jxm s ALA 20 N -5.54 2.29 -0.04 5.00 0.00 -1.26 -1.98 121.76 120.23 2jxm s ALA 20 Ca -0.09 -1.33 -0.04 0.00 0.00 0.00 0.00 51.96 50.49 2jxm s ALA 20 Cb 0.34 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 23.03 2jxm s ALA 20 CO 0.78 0.53 0.11 -1.17 0.00 0.00 0.00 175.76 176.02 2jxm s LEU 21 N -1.52 1.58 0.02 0.00 2.96 -0.75 -4.94 118.68 116.04 2jxm s LEU 21 Ca 0.12 0.16 0.05 0.00 -0.22 0.00 0.00 54.13 54.24 2jxm s LEU 21 Cb -0.10 0.42 -0.02 0.00 0.50 0.00 0.00 46.19 46.99 2jxm s LEU 21 CO 0.03 -0.08 -0.14 -0.55 -1.32 0.00 0.00 176.35 174.29 2jxm s SER 22 N -0.15 1.63 0.29 3.68 0.15 -1.26 -0.37 113.70 117.67 2jxm s SER 22 Ca -0.02 -0.38 -0.07 0.00 0.70 0.00 0.00 55.95 56.18 2jxm s SER 22 Cb -0.02 -0.13 0.03 0.00 -1.71 0.00 0.00 66.02 64.19 2jxm s SER 22 CO 0.00 0.08 0.50 2.30 1.20 0.00 0.00 173.24 177.32 2jxm n ILE 23 N 2.20 0.00 -4.45 6.45 -5.35 0.51 -4.83 119.36 113.89 2jxm n ILE 23 Ca -0.17 -1.03 -0.24 0.00 -0.27 0.00 0.00 62.75 61.04 2jxm n ILE 23 Cb 0.55 0.79 -0.10 0.00 -1.74 0.00 0.00 39.64 39.14 2jxm n ILE 23 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2jxm s SER 24 N -2.61 3.46 -0.38 7.28 0.01 -1.26 0.19 113.70 120.39 2jxm s SER 24 Ca 0.17 -0.98 -0.28 0.00 1.31 0.00 0.00 55.95 56.16 2jxm s SER 24 Cb -0.02 -0.27 -0.07 0.00 0.21 0.00 0.00 66.02 65.86 2jxm s SER 24 CO 0.12 0.04 2.32 0.00 0.41 0.00 0.00 173.24 176.14 2jxm n ALA 25 N -0.35 1.23 0.00 1.44 0.00 -1.26 -0.12 120.51 121.46 2jxm n ALA 25 Ca -0.07 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2jxm n ALA 25 Cb 0.59 -2.98 0.00 0.00 0.00 0.00 0.00 19.45 17.06 2jxm n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jxm n GLY 26 N 5.99 1.09 3.93 0.00 0.00 -0.22 -4.89 105.19 111.09 2jxm n GLY 26 Ca 0.36 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.09 2jxm n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jxm s ASP 27 N -1.16 3.96 0.17 1.61 1.11 0.83 -4.77 116.67 118.41 2jxm s ASP 27 Ca 0.00 0.39 0.09 0.00 0.18 0.00 0.00 52.55 53.22 2jxm s ASP 27 Cb 0.00 -0.71 -0.04 0.00 1.07 0.00 0.00 42.92 43.24 2jxm s ASP 27 CO 0.00 -2.20 -0.20 -0.89 1.18 0.00 0.00 175.17 173.06 2jxm s THR 28 N -3.61 1.97 -0.28 -1.27 2.01 -1.26 -1.38 115.64 111.81 2jxm s THR 28 Ca 0.67 -1.91 -0.01 0.00 0.31 0.00 0.00 61.69 60.76 2jxm s THR 28 Cb -0.07 -1.89 0.09 0.00 0.01 0.00 0.00 72.50 70.63 2jxm s THR 28 CO 0.49 -0.22 0.07 -0.69 -0.69 0.00 0.00 174.62 173.58 2jxm s VAL 29 N -1.82 0.92 0.82 3.82 1.01 -0.22 -2.17 120.40 122.77 2jxm s VAL 29 Ca 0.16 -1.27 -0.12 0.00 0.00 0.00 0.00 61.98 60.75 2jxm s VAL 29 Cb -0.07 -1.61 0.09 0.00 0.00 0.00 0.00 36.38 34.79 2jxm s VAL 29 CO 0.07 -0.54 1.16 -0.70 0.00 0.00 0.00 175.10 175.09 2jxm s GLU 30 N 1.61 1.85 -0.13 2.72 2.12 0.22 -3.12 118.70 123.97 2jxm s GLU 30 Ca 0.07 0.18 -0.05 0.00 0.36 0.00 0.00 54.97 55.53 2jxm s GLU 30 Cb -0.17 -1.93 0.06 0.00 0.26 0.00 0.00 34.13 32.35 2jxm s GLU 30 CO -0.20 -1.69 0.27 -0.06 -0.54 0.00 0.00 175.26 173.04 2jxm s PHE 31 N -3.49 -0.44 0.17 5.30 0.40 -0.65 0.19 117.98 119.45 2jxm s PHE 31 Ca 0.62 0.99 0.09 0.00 -0.60 0.00 0.00 56.93 58.03 2jxm s PHE 31 Cb -0.12 -0.00 -0.04 0.00 0.51 0.00 0.00 43.02 43.37 2jxm s PHE 31 CO 0.50 -0.35 -0.18 0.54 0.70 0.00 0.00 175.22 176.43 2jxm s VAL 32 N 2.28 1.83 -0.29 -0.44 0.11 0.10 -1.54 120.40 122.45 2jxm s VAL 32 Ca -0.00 -1.93 -0.13 0.00 -2.93 0.00 0.00 61.98 56.99 2jxm s VAL 32 Cb -0.12 -1.86 -0.04 0.00 -1.53 0.00 0.00 36.38 32.84 2jxm s VAL 32 CO -0.09 -0.32 0.28 -0.32 -3.33 0.00 0.00 175.10 171.32 2jxm s MET 33 N -2.82 3.91 -0.04 1.54 1.75 -1.26 -0.97 119.30 121.41 2jxm s MET 33 Ca 0.16 -0.21 -0.00 0.00 -1.25 0.00 0.00 55.69 54.38 2jxm s MET 33 Cb -0.06 -3.68 -0.00 0.00 2.84 0.00 0.00 34.83 33.93 2jxm s MET 33 CO 0.07 -0.27 0.04 -0.97 -0.65 0.00 0.00 175.02 173.24 2jxm h ASN 34 N 8.31 -0.01 -0.42 1.11 -1.24 -1.35 -3.41 115.58 118.58 2jxm h ASN 34 Ca -0.33 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.68 2jxm h ASN 34 Cb 1.17 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.23 2jxm h ASN 34 CO 0.61 0.18 0.00 2.29 -1.29 0.00 0.00 177.43 179.22 2jxm n LYS 35 N -3.11 0.00 -3.95 6.67 0.00 -1.10 -5.00 118.16 111.68 2jxm n LYS 35 Ca -0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.99 2jxm n LYS 35 Cb 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.03 2jxm n LYS 35 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 2jxm n VAL 36 N 0.00 -3.52 -2.38 0.58 3.14 -1.26 -4.53 118.33 110.35 2jxm n VAL 36 Ca 0.00 -0.65 -0.05 0.00 -2.96 0.00 0.00 64.34 60.67 2jxm n VAL 36 Cb 0.00 -2.84 0.03 0.00 -1.06 0.00 0.00 33.84 29.97 2jxm n VAL 36 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2jxm n GLY 37 N -2.00 0.83 0.00 7.55 0.00 -1.26 -4.84 105.19 105.47 2jxm n GLY 37 Ca -0.21 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.82 2jxm n GLY 37 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jxm n PRO 38 N -1.43 -0.33 -1.87 1.61 -0.04 -1.26 -5.14 135.00 126.54 2jxm n PRO 38 Ca 0.04 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.49 2jxm n PRO 38 Cb 0.14 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.60 2jxm n PRO 38 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2jxm n HIS 39 N -2.02 -0.24 0.00 0.54 8.25 -1.26 -4.91 115.22 115.57 2jxm n HIS 39 Ca 0.00 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2jxm n HIS 39 Cb 0.00 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.12 2jxm n HIS 39 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2jxm n ASN 40 N -2.55 0.00 -4.43 0.41 0.23 -1.26 -3.38 115.26 104.29 2jxm n ASN 40 Ca 0.00 0.00 -0.39 0.00 -0.53 0.00 0.00 54.58 53.66 2jxm n ASN 40 Cb 0.02 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.61 2jxm n ASN 40 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2jxm s VAL 41 N -2.00 4.64 -0.50 3.53 1.01 -1.12 -4.69 120.40 121.26 2jxm s VAL 41 Ca 0.00 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.53 2jxm s VAL 41 Cb 0.00 -3.42 0.20 0.00 0.00 0.00 0.00 36.38 33.16 2jxm s VAL 41 CO 0.00 -0.01 0.48 -0.38 0.00 0.00 0.00 175.10 175.19 2jxm n ILE 42 N 4.99 0.06 -0.87 2.22 2.08 -1.18 0.18 119.36 126.84 2jxm n ILE 42 Ca -0.13 -4.15 -0.34 0.00 0.56 0.00 0.00 62.75 58.68 2jxm n ILE 42 Cb 0.48 -1.91 0.09 0.00 -0.75 0.00 0.00 39.64 37.55 2jxm n ILE 42 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 2jxm n PHE 43 N 1.98 -2.83 -0.13 1.39 3.72 -1.26 -2.25 117.46 118.08 2jxm n PHE 43 Ca 0.26 0.14 -0.27 0.00 -0.05 0.00 0.00 57.45 57.52 2jxm n PHE 43 Cb 0.45 -1.64 -0.10 0.00 -0.94 0.00 0.00 39.48 37.25 2jxm n PHE 43 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2jxm n ASP 44 N 0.52 1.93 0.00 4.37 2.03 0.23 -4.69 116.55 120.94 2jxm n ASP 44 Ca 0.03 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.71 2jxm n ASP 44 Cb 0.55 -0.86 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 2jxm n ASP 44 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2jxm n LYS 45 N -4.31 0.00 -4.29 -0.67 5.02 -1.17 -4.84 118.16 107.90 2jxm n LYS 45 Ca -0.48 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 55.63 2jxm n LYS 45 Cb 0.83 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.73 2jxm n LYS 45 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2jxm s VAL 46 N -1.35 1.49 0.79 -0.18 -7.23 -1.26 -3.72 120.40 108.93 2jxm s VAL 46 Ca 0.00 -2.01 -0.11 0.00 -1.81 0.00 0.00 61.98 58.05 2jxm s VAL 46 Cb 0.00 -1.83 0.06 0.00 0.56 0.00 0.00 36.38 35.17 2jxm s VAL 46 CO 0.00 -0.56 1.09 -2.16 -0.31 0.00 0.00 175.10 173.16 2jxm s PRO 47 N -3.32 2.18 0.11 4.82 0.04 -1.26 -4.79 135.00 132.78 2jxm s PRO 47 Ca 0.17 0.67 -0.33 0.00 0.04 0.00 0.00 61.00 61.55 2jxm s PRO 47 Cb -0.01 -1.93 -0.18 0.00 0.04 0.00 0.00 34.50 32.42 2jxm s PRO 47 CO 0.04 -1.56 0.77 0.00 0.04 0.00 0.00 177.00 176.29 2jxm n ALA 48 N -3.40 -3.16 0.00 8.56 0.00 -1.26 -3.38 120.51 117.88 2jxm n ALA 48 Ca 0.07 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.02 2jxm n ALA 48 Cb 0.56 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.33 2jxm n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jxm n GLY 49 N 1.78 3.26 1.30 0.00 0.00 -1.26 -4.86 105.19 105.41 2jxm n GLY 49 Ca 0.19 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 2jxm n GLY 49 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jxm n GLU 50 N 0.00 1.25 -3.50 1.61 0.00 -1.22 -4.79 120.64 114.00 2jxm n GLU 50 Ca 0.00 -1.20 -0.27 0.00 0.00 0.00 0.00 57.16 55.70 2jxm n GLU 50 Cb 0.00 0.15 -0.10 0.00 0.00 0.00 0.00 31.44 31.49 2jxm n GLU 50 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2jxm n SER 51 N -1.85 0.85 -0.04 4.31 7.64 -1.26 -4.90 113.62 118.37 2jxm n SER 51 Ca -0.02 -2.72 -0.08 0.00 1.01 0.00 0.00 58.87 57.07 2jxm n SER 51 Cb 0.22 -0.63 -0.02 0.00 -1.01 0.00 0.00 64.21 62.77 2jxm n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jxm h ALA 52 N 5.22 -0.00 0.00 -0.43 0.00 -1.93 -2.04 119.26 120.08 2jxm h ALA 52 Ca 0.20 0.08 -0.17 0.00 0.00 0.00 0.00 54.91 55.02 2jxm h ALA 52 Cb 0.84 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 2jxm h ALA 52 CO 0.51 -0.58 0.11 -0.35 0.00 0.00 0.00 179.25 178.94 2jxm n PRO 53 N -5.32 1.62 0.00 0.00 -0.04 -1.26 -2.73 135.00 127.27 2jxm n PRO 53 Ca -0.01 -0.84 0.00 0.00 -0.04 0.00 0.00 63.50 62.60 2jxm n PRO 53 Cb 0.24 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 2jxm n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jxm n ALA 54 N 2.73 0.35 0.22 0.55 0.00 -0.80 -4.89 120.51 118.68 2jxm n ALA 54 Ca 0.35 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.86 2jxm n ALA 54 Cb 0.65 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.63 2jxm n ALA 54 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2jxm h LEU 55 N 0.00 0.00 -8.73 0.00 3.38 -1.26 -3.43 115.31 105.27 2jxm h LEU 55 Ca 0.00 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.23 2jxm h LEU 55 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2jxm h LEU 55 CO 0.00 0.23 1.12 -1.20 0.09 0.00 0.00 178.44 178.68 2jxm n SER 56 N -3.90 1.88 -4.38 -0.43 7.64 -1.20 -4.90 113.62 108.32 2jxm n SER 56 Ca -0.02 0.82 -0.37 0.00 1.01 0.00 0.00 58.87 60.31 2jxm n SER 56 Cb 0.32 -1.10 -0.13 0.00 -1.01 0.00 0.00 64.21 62.29 2jxm n SER 56 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2jxm s ASN 57 N 5.08 4.99 -0.14 6.43 -0.87 0.13 -4.95 114.94 125.61 2jxm s ASN 57 Ca 1.07 -0.46 0.06 0.00 -1.57 0.00 0.00 52.86 51.96 2jxm s ASN 57 Cb -1.14 -1.88 0.39 0.00 -0.02 0.00 0.00 41.25 38.61 2jxm s ASN 57 CO 0.63 -0.10 1.18 1.07 -2.57 0.00 0.00 177.10 177.31 2jxm n THR 58 N 4.88 1.50 -1.89 1.60 5.66 -1.26 -2.81 114.28 121.96 2jxm n THR 58 Ca -0.16 -0.74 -0.41 0.00 -3.05 0.00 0.00 64.05 59.70 2jxm n THR 58 Cb 0.50 -0.46 -0.01 0.00 -1.55 0.00 0.00 70.33 68.81 2jxm n THR 58 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2jxm n LYS 59 N 0.19 3.85 -1.44 1.09 4.81 -1.26 -4.93 118.16 120.47 2jxm n LYS 59 Ca 0.17 -3.05 -0.46 0.00 -0.87 0.00 0.00 58.31 54.10 2jxm n LYS 59 Cb 0.79 -2.86 -0.14 0.00 0.02 0.00 0.00 35.03 32.84 2jxm n LYS 59 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 2jxm n LEU 60 N 3.43 0.45 -4.55 3.14 -0.00 -1.26 -4.76 117.00 113.45 2jxm n LEU 60 Ca 0.58 0.29 -0.40 0.00 -0.00 0.00 0.00 56.01 56.48 2jxm n LEU 60 Cb 0.30 -0.93 -0.03 0.00 -0.00 0.00 0.00 43.42 42.76 2jxm n LEU 60 CO 0.80 -0.74 1.27 0.00 -0.00 0.00 0.00 177.39 178.72 2jxm s ALA 61 N 8.32 2.64 0.06 1.47 0.00 -1.22 -4.83 121.76 128.20 2jxm s ALA 61 Ca 1.31 -1.40 -0.20 0.00 0.00 0.00 0.00 51.96 51.67 2jxm s ALA 61 Cb -1.30 -4.31 -0.12 0.00 0.00 0.00 0.00 23.12 17.39 2jxm s ALA 61 CO 0.53 -3.45 1.40 0.82 0.00 0.00 0.00 175.76 175.06 2jxm h ILE 62 N 6.28 1.31 -2.20 0.00 2.04 -1.90 -3.39 117.51 119.65 2jxm h ILE 62 Ca -0.20 -1.17 -0.58 0.00 1.00 0.00 0.00 64.86 63.91 2jxm h ILE 62 Cb 1.06 1.70 -0.00 0.00 -0.74 0.00 0.00 36.82 38.83 2jxm h ILE 62 CO 1.29 0.35 1.40 0.00 0.00 0.00 0.00 178.15 181.19 2jxm s ALA 63 N -4.53 2.89 0.26 1.87 0.00 -1.26 -4.93 121.76 116.05 2jxm s ALA 63 Ca -0.14 0.74 -0.30 0.00 0.00 0.00 0.00 51.96 52.26 2jxm s ALA 63 Cb 0.06 -4.02 -0.09 0.00 0.00 0.00 0.00 23.12 19.07 2jxm s ALA 63 CO 0.75 -2.57 1.09 -1.25 0.00 0.00 0.00 175.76 173.78 2jxm s PRO 64 N 5.90 4.65 0.00 0.00 0.04 -1.26 -4.63 135.00 139.69 2jxm s PRO 64 Ca 0.94 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.74 2jxm s PRO 64 Cb -0.32 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.01 2jxm s PRO 64 CO 0.35 0.21 0.00 0.41 0.04 0.00 0.00 177.00 178.01 2jxm n GLY 65 N 1.40 -1.19 3.03 0.56 0.00 -1.26 -5.06 105.19 102.66 2jxm n GLY 65 Ca -0.00 0.48 0.05 0.00 0.00 0.00 0.00 46.02 46.54 2jxm n GLY 65 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jxm s SER 66 N 0.00 -0.11 0.00 1.61 0.15 -1.26 -4.49 113.70 109.60 2jxm s SER 66 Ca 0.00 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.65 2jxm s SER 66 Cb 0.00 0.82 0.00 0.00 -1.71 0.00 0.00 66.02 65.13 2jxm s SER 66 CO 0.00 -0.02 0.15 0.49 1.20 0.00 0.00 173.24 175.06 2jxm n PHE 67 N 4.64 0.00 -3.82 3.44 3.01 -0.59 -4.94 117.46 119.20 2jxm n PHE 67 Ca 0.09 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.54 2jxm n PHE 67 Cb 0.60 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.08 2jxm n PHE 67 CO 0.00 0.00 0.00 1.52 1.01 0.00 0.00 176.76 179.29 2jxm s TYR 68 N -0.32 -0.00 0.30 1.38 -0.85 -1.16 -5.03 117.35 111.66 2jxm s TYR 68 Ca 0.00 -0.25 0.11 0.00 -0.52 0.00 0.00 57.07 56.42 2jxm s TYR 68 Cb 0.00 0.62 -0.05 0.00 0.38 0.00 0.00 41.96 42.91 2jxm s TYR 68 CO 0.00 -0.61 -0.16 -1.54 -1.52 0.00 0.00 175.55 171.72 2jxm s SER 69 N -3.30 3.68 -0.19 -0.18 1.04 -1.26 -1.64 113.70 111.85 2jxm s SER 69 Ca 0.20 -1.05 -0.16 0.00 0.48 0.00 0.00 55.95 55.41 2jxm s SER 69 Cb -0.00 -0.34 0.05 0.00 0.10 0.00 0.00 66.02 65.83 2jxm s SER 69 CO 0.01 -0.03 0.50 0.68 0.98 0.00 0.00 173.24 175.39 2jxm s VAL 70 N -2.53 -0.00 0.10 5.02 -7.23 -1.18 -4.99 120.40 109.59 2jxm s VAL 70 Ca 0.31 0.01 -0.09 0.00 -1.81 0.00 0.00 61.98 60.41 2jxm s VAL 70 Cb -0.03 -0.71 -0.06 0.00 0.56 0.00 0.00 36.38 36.14 2jxm s VAL 70 CO 0.16 0.01 0.40 -0.89 -0.31 0.00 0.00 175.10 174.47 2jxm s THR 71 N 0.54 5.10 0.40 5.32 2.01 -1.26 -1.05 115.64 126.70 2jxm s THR 71 Ca -0.02 0.35 0.04 0.00 0.31 0.00 0.00 61.69 62.37 2jxm s THR 71 Cb -0.04 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 2jxm s THR 71 CO -0.03 0.21 0.04 -0.76 -0.69 0.00 0.00 174.62 173.39 2jxm s LEU 72 N -2.14 2.39 0.00 4.42 1.43 -0.48 -4.98 118.68 119.33 2jxm s LEU 72 Ca 0.36 -1.48 0.00 0.00 -1.03 0.00 0.00 54.13 51.97 2jxm s LEU 72 Cb -0.13 -0.57 0.00 0.00 0.03 0.00 0.00 46.19 45.52 2jxm s LEU 72 CO 0.20 -0.66 0.00 0.61 0.23 0.00 0.00 176.35 176.72 2jxm n GLY 73 N -0.93 -0.09 3.67 -3.19 0.00 -1.26 -1.06 105.19 102.33 2jxm n GLY 73 Ca -0.07 -0.04 -0.50 0.00 0.00 0.00 0.00 46.02 45.41 2jxm n GLY 73 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jxm n THR 74 N -1.93 0.30 -2.51 2.61 -1.04 -1.26 -4.29 114.28 106.15 2jxm n THR 74 Ca 0.00 -0.05 -0.39 0.00 -2.04 0.00 0.00 64.05 61.56 2jxm n THR 74 Cb 0.00 -1.55 -0.04 0.00 -1.82 0.00 0.00 70.33 66.91 2jxm n THR 74 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2jxm s PRO 75 N 2.66 4.54 0.00 -2.82 0.04 -1.26 -4.67 135.00 133.49 2jxm s PRO 75 Ca 0.89 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.63 2jxm s PRO 75 Cb -0.78 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 30.73 2jxm s PRO 75 CO 0.49 0.15 0.00 0.41 0.04 0.00 0.00 177.00 178.09 2jxm n GLY 76 N 1.00 0.83 3.48 0.56 0.00 -1.22 -4.95 105.19 104.89 2jxm n GLY 76 Ca 0.00 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 2jxm n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jxm s THR 77 N -1.19 4.52 -0.05 2.61 2.01 -1.26 -1.38 115.64 120.90 2jxm s THR 77 Ca 0.00 -0.10 -0.10 0.00 0.31 0.00 0.00 61.69 61.80 2jxm s THR 77 Cb 0.00 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.34 2jxm s THR 77 CO 0.00 0.32 0.27 -0.31 -0.69 0.00 0.00 174.62 174.22 2jxm s TYR 78 N 1.64 3.65 0.05 4.92 1.51 0.50 -4.67 117.35 124.95 2jxm s TYR 78 Ca 0.06 0.74 0.08 0.00 -1.01 0.00 0.00 57.07 56.94 2jxm s TYR 78 Cb -0.15 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.57 2jxm s TYR 78 CO 0.05 0.68 -0.22 -1.54 -1.11 0.00 0.00 175.55 173.41 2jxm s SER 79 N -1.15 2.60 0.06 2.29 1.04 -1.24 0.27 113.70 117.55 2jxm s SER 79 Ca 0.21 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2jxm s SER 79 Cb -0.14 -0.21 -0.00 0.00 0.10 0.00 0.00 66.02 65.76 2jxm s SER 79 CO 0.10 0.17 0.07 2.22 0.98 0.00 0.00 173.24 176.78 2jxm n PHE 80 N 1.78 -0.47 -3.62 5.02 -1.74 -1.17 0.75 117.46 118.01 2jxm n PHE 80 Ca -0.17 -0.41 -0.03 0.00 -0.56 0.00 0.00 57.45 56.27 2jxm n PHE 80 Cb 0.53 0.08 -0.01 0.00 1.52 0.00 0.00 39.48 41.60 2jxm n PHE 80 CO 0.00 0.00 0.00 1.52 -0.56 0.00 0.00 176.76 177.72 2jxm s TYR 81 N -3.99 -0.14 -0.23 2.97 -0.85 -0.96 -3.67 117.35 110.48 2jxm s TYR 81 Ca 0.05 0.00 -0.17 0.00 -0.52 0.00 0.00 57.07 56.44 2jxm s TYR 81 Cb -0.00 0.56 -0.03 0.00 0.38 0.00 0.00 41.96 42.86 2jxm s TYR 81 CO 0.04 -0.44 0.45 0.00 -1.52 0.00 0.00 175.55 174.09 2jxm h THR 83 N 5.24 0.52 0.19 0.00 2.02 -1.89 -2.31 112.91 116.68 2jxm h THR 83 Ca -0.32 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 2jxm h THR 83 Cb 1.15 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2jxm h THR 83 CO 0.71 0.00 -0.09 1.55 0.37 0.00 0.00 175.52 178.05 2jxm h PRO 84 N -0.06 -0.24 -3.05 6.66 0.13 -1.93 -3.34 132.00 130.17 2jxm h PRO 84 Ca 0.19 0.02 -0.43 0.00 -0.87 0.00 0.00 66.00 64.91 2jxm h PRO 84 Cb 0.35 0.06 0.01 0.00 0.13 0.00 0.00 31.00 31.54 2jxm h PRO 84 CO -0.43 -0.16 2.48 0.72 -0.23 0.00 0.00 178.00 180.38 2jxm n HIS 85 N -4.24 1.45 0.03 1.56 8.25 -1.21 -4.22 115.22 116.85 2jxm n HIS 85 Ca -0.03 -2.18 -0.20 0.00 -0.26 0.00 0.00 57.72 55.05 2jxm n HIS 85 Cb 0.10 -1.88 -0.14 0.00 1.12 0.00 0.00 29.99 29.19 2jxm n HIS 85 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2jxm h ARG 86 N 5.36 0.28 0.00 -0.41 2.43 -1.54 -2.97 114.38 117.53 2jxm h ARG 86 Ca 0.56 -0.48 -0.11 0.00 -0.81 0.00 0.00 59.98 59.14 2jxm h ARG 86 Cb 0.40 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 2jxm h ARG 86 CO 1.33 1.17 -1.21 0.78 -1.51 0.00 0.00 179.97 180.54 2jxm h GLY 87 N 1.25 0.00 2.00 2.80 0.00 -1.88 -3.29 103.07 103.96 2jxm h GLY 87 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2jxm h GLY 87 CO 0.13 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.67 2jxm h ALA 88 N 1.63 1.00 -2.69 3.60 0.00 -1.86 -3.46 119.26 117.49 2jxm h ALA 88 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2jxm h ALA 88 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2jxm h ALA 88 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 2jxm n GLY 89 N -0.54 0.57 2.64 0.00 0.00 -1.24 -4.91 105.19 101.71 2jxm n GLY 89 Ca 0.00 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 2jxm n GLY 89 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2jxm n MET 90 N -1.20 2.05 -4.34 1.61 0.00 -1.12 -4.67 117.12 109.45 2jxm n MET 90 Ca 0.00 -4.48 -0.23 0.00 -0.00 0.00 0.00 57.70 52.99 2jxm n MET 90 Cb 0.45 -2.21 -0.12 0.00 0.00 0.00 0.00 33.22 31.34 2jxm n MET 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 2jxm s VAL 91 N -1.86 1.88 0.17 1.12 -7.23 -1.26 -2.36 120.40 110.86 2jxm s VAL 91 Ca 0.32 -1.83 -0.00 0.00 -1.81 0.00 0.00 61.98 58.66 2jxm s VAL 91 Cb 0.06 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 35.18 2jxm s VAL 91 CO -0.10 -0.21 0.23 0.61 -0.31 0.00 0.00 175.10 175.32 2jxm n GLY 92 N 0.51 2.74 3.19 2.32 0.00 -1.24 -4.46 105.19 108.25 2jxm n GLY 92 Ca -0.15 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 44.25 2jxm n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jxm s THR 93 N -2.63 0.14 -0.12 2.61 2.01 -0.84 -3.06 115.64 113.75 2jxm s THR 93 Ca 0.15 -1.54 -0.05 0.00 0.31 0.00 0.00 61.69 60.56 2jxm s THR 93 Cb -0.00 -1.63 0.06 0.00 0.01 0.00 0.00 72.50 70.94 2jxm s THR 93 CO 0.11 -0.64 0.26 -0.63 -0.69 0.00 0.00 174.62 173.02 2jxm s ILE 94 N -3.94 -0.31 -0.02 1.82 1.01 0.14 -1.82 121.20 118.09 2jxm s ILE 94 Ca 0.12 0.25 -0.00 0.00 0.00 0.00 0.00 60.65 61.01 2jxm s ILE 94 Cb 0.06 -0.42 -0.04 0.00 0.01 0.00 0.00 42.46 42.07 2jxm s ILE 94 CO -0.06 0.10 0.06 -0.89 0.00 0.00 0.00 174.94 174.15 2jxm s THR 95 N 2.11 4.61 -0.55 2.92 2.01 0.50 0.19 115.64 127.42 2jxm s THR 95 Ca -0.02 -0.41 0.06 0.00 0.31 0.00 0.00 61.69 61.64 2jxm s THR 95 Cb -0.12 -3.08 0.22 0.00 0.01 0.00 0.00 72.50 69.53 2jxm s THR 95 CO -0.08 0.39 0.57 0.52 -0.69 0.00 0.00 174.62 175.33 2jxm n VAL 96 N 1.34 0.86 1.62 3.82 0.31 -0.48 0.19 118.33 125.99 2jxm n VAL 96 Ca -0.14 -4.55 0.14 0.00 -0.01 0.00 0.00 64.34 59.78 2jxm n VAL 96 Cb 0.53 -2.01 0.63 0.00 -0.91 0.00 0.00 33.84 32.07 2jxm n VAL 96 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72