#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjg n SER 2 N 0.00 -6.90 -1.83 7.83 7.64 -1.26 -4.77 113.62 114.33 1sjg n SER 2 Ca 0.00 1.23 -0.01 0.00 1.01 0.00 0.00 58.87 61.10 1sjg n SER 2 Cb 0.00 -4.56 -0.01 0.00 -1.01 0.00 0.00 64.21 58.63 1sjg n SER 2 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1sjg n PHE 3 N 0.98 -1.28 -4.39 1.43 3.72 -1.22 -4.92 117.46 111.78 1sjg n PHE 3 Ca -0.05 0.70 -0.29 0.00 -0.05 0.00 0.00 57.45 57.76 1sjg n PHE 3 Cb 0.17 -2.23 -0.13 0.00 -0.94 0.00 0.00 39.48 36.35 1sjg n PHE 3 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1sjg s GLU 4 N -0.77 1.42 -0.38 -1.08 2.56 0.32 -4.73 118.70 116.06 1sjg s GLU 4 Ca -0.06 -1.34 -0.28 0.00 0.00 0.00 0.00 54.97 53.28 1sjg s GLU 4 Cb 0.00 -1.91 -0.01 0.00 2.00 0.00 0.00 34.13 34.22 1sjg s GLU 4 CO 0.23 0.45 1.64 0.21 -0.56 0.00 0.00 175.26 177.23 1sjg s LYS 5 N -2.07 3.41 -0.15 4.30 2.36 -1.26 -0.89 119.74 125.43 1sjg s LYS 5 Ca 0.14 1.19 -0.07 0.00 -2.55 0.00 0.00 55.97 54.69 1sjg s LYS 5 Cb -0.10 -4.13 -0.24 0.00 -1.05 0.00 0.00 37.83 32.31 1sjg s LYS 5 CO 0.06 -1.77 0.24 1.51 1.55 0.00 0.00 175.35 176.95 1sjg n ILE 6 N 7.27 1.71 -3.93 5.43 0.13 -0.82 -4.99 119.36 124.17 1sjg n ILE 6 Ca 0.20 -0.59 -0.10 0.00 -1.10 0.00 0.00 62.75 61.15 1sjg n ILE 6 Cb 0.47 -1.71 -0.01 0.00 -0.84 0.00 0.00 39.64 37.55 1sjg n ILE 6 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1sjg s SER 8 N -3.09 3.31 0.59 0.00 0.01 -1.26 -1.31 113.70 111.96 1sjg s SER 8 Ca 0.20 -0.88 0.29 0.00 1.31 0.00 0.00 55.95 56.88 1sjg s SER 8 Cb -0.03 -0.24 1.66 0.00 0.21 0.00 0.00 66.02 67.61 1sjg s SER 8 CO 0.13 0.09 2.08 0.25 0.41 0.00 0.00 173.24 176.19 1sjg h LEU 9 N 3.15 0.00 -1.40 2.44 5.85 -0.37 0.46 115.31 125.43 1sjg h LEU 9 Ca -0.45 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1sjg h LEU 9 Cb 1.21 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 1sjg h LEU 9 CO 0.49 0.00 -0.03 -0.78 -0.34 0.00 0.00 178.44 177.78 1sjg h ASP 10 N 0.00 0.00 0.28 1.25 3.58 -1.95 -3.00 116.42 116.59 1sjg h ASP 10 Ca 0.10 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.21 1sjg h ASP 10 Cb 0.56 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.59 1sjg h ASP 10 CO -0.00 0.03 -1.81 0.44 -2.88 0.00 0.00 179.24 175.02 1sjg h ASP 11 N 0.00 0.34 -3.29 2.28 3.32 -0.48 -3.45 116.42 115.15 1sjg h ASP 11 Ca -0.00 -0.66 -0.53 0.00 0.02 0.00 0.00 57.03 55.87 1sjg h ASP 11 Cb 0.55 -0.11 -0.38 0.00 0.22 0.00 0.00 39.33 39.61 1sjg h ASP 11 CO 0.00 1.58 -0.79 -0.51 -1.72 0.00 0.00 179.24 177.80 1sjg s ILE 12 N -2.58 0.92 0.37 0.35 1.10 -0.86 -4.99 121.20 115.50 1sjg s ILE 12 Ca -0.15 -0.45 0.07 0.00 -0.51 0.00 0.00 60.65 59.61 1sjg s ILE 12 Cb 0.07 -1.11 -0.02 0.00 0.15 0.00 0.00 42.46 41.55 1sjg s ILE 12 CO 0.81 0.15 0.38 0.26 -2.11 0.00 0.00 174.94 174.43 1sjg s TRP 13 N 1.72 2.87 0.09 3.50 0.52 -1.25 -4.50 118.94 121.89 1sjg s TRP 13 Ca 0.02 -0.36 -0.31 0.00 0.02 0.00 0.00 56.10 55.47 1sjg s TRP 13 Cb -0.15 -2.01 -0.07 0.00 -1.15 0.00 0.00 33.47 30.10 1sjg s TRP 13 CO -0.07 -0.01 1.25 0.14 0.02 0.00 0.00 176.95 178.28 1sjg s VAL 14 N -2.34 3.78 0.00 4.03 -7.23 -1.25 -2.38 120.40 115.00 1sjg s VAL 14 Ca 0.45 1.30 0.00 0.00 -1.81 0.00 0.00 61.98 61.92 1sjg s VAL 14 Cb -0.06 -3.83 0.00 0.00 0.56 0.00 0.00 36.38 33.05 1sjg s VAL 14 CO 0.28 0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.79 1sjg n GLY 15 N 3.20 0.69 3.28 2.32 0.00 0.11 -4.88 105.19 109.91 1sjg n GLY 15 Ca 0.09 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1sjg n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sjg s GLU 16 N -0.39 1.26 -0.04 1.61 2.02 -1.00 -5.03 118.70 117.13 1sjg s GLU 16 Ca 0.00 -1.07 0.03 0.00 0.02 0.00 0.00 54.97 53.94 1sjg s GLU 16 Cb 0.00 -1.47 0.01 0.00 0.10 0.00 0.00 34.13 32.77 1sjg s GLU 16 CO 0.00 0.36 -0.10 -1.64 0.02 0.00 0.00 175.26 173.89 1sjg s MET 17 N -1.59 1.24 -0.08 1.61 -1.94 -1.26 -2.58 119.30 114.70 1sjg s MET 17 Ca 0.07 -0.35 -0.08 0.00 -1.71 0.00 0.00 55.69 53.62 1sjg s MET 17 Cb -0.09 -1.10 0.02 0.00 2.01 0.00 0.00 34.83 35.66 1sjg s MET 17 CO 0.03 0.09 0.22 -1.21 -0.01 0.00 0.00 175.02 174.14 1sjg s GLU 18 N 0.36 0.27 0.12 2.03 2.02 -0.76 -4.32 118.70 118.41 1sjg s GLU 18 Ca -0.07 0.28 -0.30 0.00 0.02 0.00 0.00 54.97 54.90 1sjg s GLU 18 Cb -0.11 0.13 -0.07 0.00 0.10 0.00 0.00 34.13 34.18 1sjg s GLU 18 CO 0.01 -0.04 1.19 0.99 0.02 0.00 0.00 175.26 177.44 1sjg s THR 19 N 0.05 3.84 0.21 3.63 2.01 -1.26 -1.18 115.64 122.95 1sjg s THR 19 Ca -0.01 1.42 0.06 0.00 0.31 0.00 0.00 61.69 63.48 1sjg s THR 19 Cb -0.02 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 1sjg s THR 19 CO 0.00 0.17 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.66 1sjg s PHE 20 N 0.51 1.64 -0.11 4.92 0.08 0.47 -4.93 117.98 120.55 1sjg s PHE 20 Ca 0.56 -0.71 -0.03 0.00 0.12 0.00 0.00 56.93 56.86 1sjg s PHE 20 Cb -0.31 -0.86 -0.03 0.00 -0.57 0.00 0.00 43.02 41.25 1sjg s PHE 20 CO 0.32 0.20 0.02 -2.00 -0.10 0.00 0.00 175.22 173.66 1sjg s GLU 21 N -3.73 3.27 0.78 0.44 2.12 -1.26 -0.91 118.70 119.41 1sjg s GLU 21 Ca 0.24 -0.39 -0.09 0.00 0.36 0.00 0.00 54.97 55.09 1sjg s GLU 21 Cb 0.02 -2.91 0.09 0.00 0.26 0.00 0.00 34.13 31.60 1sjg s GLU 21 CO 0.07 0.58 1.11 0.95 -0.54 0.00 0.00 175.26 177.43 1sjg s THR 22 N -0.53 2.14 -0.01 -1.70 -4.23 0.75 -4.89 115.64 107.17 1sjg s THR 22 Ca 0.09 -0.18 0.31 0.00 -1.18 0.00 0.00 61.69 60.74 1sjg s THR 22 Cb -0.12 -2.97 0.34 0.00 1.34 0.00 0.00 72.50 71.10 1sjg s THR 22 CO 0.02 0.00 1.94 0.28 -0.54 0.00 0.00 174.62 176.32 1sjg h SER 23 N -0.89 0.00 -0.31 3.99 0.02 -1.95 -0.95 113.55 113.46 1sjg h SER 23 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1sjg h SER 23 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1sjg h SER 23 CO 0.57 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.73 1sjg n ASP 24 N -2.77 2.88 0.00 3.07 9.92 -1.26 -4.94 116.55 123.45 1sjg n ASP 24 Ca 0.00 -1.91 0.00 0.00 -0.53 0.00 0.00 54.79 52.35 1sjg n ASP 24 Cb 0.23 -0.20 0.00 0.00 -0.64 0.00 0.00 41.12 40.51 1sjg n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1sjg n GLY 25 N 1.38 0.59 3.82 0.44 0.00 -0.36 -5.05 105.19 106.01 1sjg n GLY 25 Ca 0.18 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 1sjg n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sjg s THR 26 N -2.00 5.40 -0.18 2.61 2.01 -1.26 -4.83 115.64 117.40 1sjg s THR 26 Ca 0.00 0.33 -0.20 0.00 0.31 0.00 0.00 61.69 62.12 1sjg s THR 26 Cb 0.00 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.00 1sjg s THR 26 CO 0.00 0.55 0.61 -1.61 -0.69 0.00 0.00 174.62 173.48 1sjg s GLU 27 N -0.57 4.25 0.04 4.92 0.41 -1.26 -0.18 118.70 126.31 1sjg s GLU 27 Ca 0.15 0.60 0.03 0.00 -0.41 0.00 0.00 54.97 55.34 1sjg s GLU 27 Cb -0.13 -3.55 -0.02 0.00 -1.78 0.00 0.00 34.13 28.66 1sjg s GLU 27 CO 0.04 -0.15 -0.10 0.08 -0.49 0.00 0.00 175.26 174.64 1sjg s VAL 28 N 1.62 0.76 -0.31 2.63 1.01 -0.08 -2.48 120.40 123.53 1sjg s VAL 28 Ca 0.29 -0.93 -0.15 0.00 0.00 0.00 0.00 61.98 61.18 1sjg s VAL 28 Cb -0.16 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 1sjg s VAL 28 CO 0.11 -0.16 0.37 -0.22 0.00 0.00 0.00 175.10 175.20 1sjg s LEU 29 N -1.22 4.26 -0.31 3.92 1.98 0.40 -0.39 118.68 127.32 1sjg s LEU 29 Ca -0.04 -0.01 -0.12 0.00 -2.89 0.00 0.00 54.13 51.08 1sjg s LEU 29 Cb -0.08 -2.38 -0.03 0.00 0.66 0.00 0.00 46.19 44.36 1sjg s LEU 29 CO 0.01 -0.28 0.21 -0.63 -1.89 0.00 0.00 176.35 173.76 1sjg s ILE 30 N 2.06 5.17 -0.19 6.68 -1.09 -0.33 -2.10 121.20 131.41 1sjg s ILE 30 Ca 0.13 -0.12 -0.02 0.00 -2.23 0.00 0.00 60.65 58.41 1sjg s ILE 30 Cb -0.16 -3.59 -0.01 0.00 -1.58 0.00 0.00 42.46 37.13 1sjg s ILE 30 CO 0.11 0.09 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.14 1sjg s VAL 31 N 1.72 3.16 -0.34 2.92 1.01 -0.39 -1.83 120.40 126.64 1sjg s VAL 31 Ca 0.06 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 1sjg s VAL 31 Cb -0.17 -2.40 0.07 0.00 0.00 0.00 0.00 36.38 33.88 1sjg s VAL 31 CO 0.10 0.46 0.07 0.21 0.00 0.00 0.00 175.10 175.94 1sjg s ASN 32 N 1.14 5.04 0.07 3.32 2.47 -1.06 -0.92 114.94 124.99 1sjg s ASN 32 Ca 0.01 -1.50 0.00 0.00 0.42 0.00 0.00 52.86 51.79 1sjg s ASN 32 Cb -0.14 -1.76 -0.04 0.00 -1.45 0.00 0.00 41.25 37.86 1sjg s ASN 32 CO -0.02 -0.35 0.22 -0.44 -3.72 0.00 0.00 177.10 172.79 1sjg s SER 33 N 1.42 6.36 -0.09 -4.21 0.01 0.65 0.08 113.70 117.92 1sjg s SER 33 Ca -0.00 0.26 -0.25 0.00 1.31 0.00 0.00 55.95 57.26 1sjg s SER 33 Cb -0.21 -1.95 -0.21 0.00 0.21 0.00 0.00 66.02 63.86 1sjg s SER 33 CO -0.02 0.15 0.88 -0.08 0.41 0.00 0.00 173.24 174.58 1sjg h GLU 34 N 2.93 -0.04 0.08 12.44 4.22 -1.90 -2.41 114.58 129.91 1sjg h GLU 34 Ca -0.46 0.00 -0.21 0.00 0.08 0.00 0.00 59.36 58.78 1sjg h GLU 34 Cb 1.17 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1sjg h GLU 34 CO 0.75 0.66 -1.06 0.93 -2.18 0.00 0.00 179.01 178.11 1sjg h GLU 35 N -0.83 0.18 0.00 1.92 5.08 -2.00 -3.35 114.58 115.58 1sjg h GLU 35 Ca -0.00 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1sjg h GLU 35 Cb 0.72 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1sjg h GLU 35 CO 0.01 1.14 0.00 1.58 -1.00 0.00 0.00 179.01 180.74 1sjg n HIS 36 N -4.15 0.57 -1.31 4.33 -0.00 -1.26 -5.01 115.22 108.39 1sjg n HIS 36 Ca -0.22 0.17 0.00 0.00 0.46 0.00 0.00 57.72 58.13 1sjg n HIS 36 Cb 0.78 -0.78 0.00 0.00 -0.12 0.00 0.00 29.99 29.88 1sjg n HIS 36 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1sjg n GLY 37 N 1.25 -2.44 3.53 1.57 0.00 -0.91 -4.86 105.19 103.33 1sjg n GLY 37 Ca 0.06 -1.63 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 1sjg n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sjg s VAL 38 N -0.58 4.47 0.08 1.61 0.11 -1.26 -0.25 120.40 124.59 1sjg s VAL 38 Ca 0.00 -0.13 0.06 0.00 -2.93 0.00 0.00 61.98 58.97 1sjg s VAL 38 Cb 0.00 -3.04 -0.03 0.00 -1.53 0.00 0.00 36.38 31.77 1sjg s VAL 38 CO 0.00 0.40 -0.15 -0.54 -3.33 0.00 0.00 175.10 171.49 1sjg s LYS 39 N 0.96 0.89 -0.09 1.54 1.02 -0.10 -4.50 119.74 119.46 1sjg s LYS 39 Ca 0.03 -1.03 0.03 0.00 0.02 0.00 0.00 55.97 55.02 1sjg s LYS 39 Cb -0.14 -0.89 0.01 0.00 -0.52 0.00 0.00 37.83 36.29 1sjg s LYS 39 CO 0.03 0.19 -0.18 0.00 -0.92 0.00 0.00 175.35 174.47 1sjg s ALA 40 N -1.45 1.77 0.20 5.17 0.00 -1.23 -1.26 121.76 124.95 1sjg s ALA 40 Ca 0.01 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.27 1sjg s ALA 40 Cb -0.09 -0.75 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 1sjg s ALA 40 CO 0.03 0.12 -0.05 0.71 0.00 0.00 0.00 175.76 176.56 1sjg s TYR 41 N 0.64 1.45 0.30 0.00 2.02 -0.89 -0.06 117.35 120.80 1sjg s TYR 41 Ca -0.14 -0.84 -0.29 0.00 -0.37 0.00 0.00 57.07 55.44 1sjg s TYR 41 Cb -0.16 -0.79 -0.13 0.00 -0.40 0.00 0.00 41.96 40.47 1sjg s TYR 41 CO 0.04 0.03 1.20 1.04 -1.57 0.00 0.00 175.55 176.29 1sjg n GLN 42 N -0.33 1.78 -0.28 -0.62 1.13 -1.24 -0.45 117.38 117.38 1sjg n GLN 42 Ca -0.07 0.63 0.34 0.00 -1.94 0.00 0.00 57.00 55.95 1sjg n GLN 42 Cb 0.62 -2.14 0.70 0.00 0.11 0.00 0.00 30.24 29.54 1sjg n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1sjg h ALA 43 N 2.63 3.03 -2.70 -1.58 0.00 -1.75 -3.39 119.26 115.50 1sjg h ALA 43 Ca -0.43 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.45 1sjg h ALA 43 Cb 1.31 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1sjg h ALA 43 CO 0.64 -1.53 0.30 0.00 0.00 0.00 0.00 179.25 178.66 1sjg n MET 44 N -3.87 0.83 -2.49 0.00 0.00 -1.26 -4.58 117.12 105.76 1sjg n MET 44 Ca 0.25 -1.67 -0.26 0.00 0.00 0.00 0.00 57.70 56.01 1sjg n MET 44 Cb 1.31 2.12 0.02 0.00 0.00 0.00 0.00 33.22 36.67 1sjg n MET 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1sjg n PRO 46 N -2.48 0.48 -0.04 0.00 -0.04 -1.26 -3.09 135.00 128.56 1sjg n PRO 46 Ca 0.03 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.39 1sjg n PRO 46 Cb 0.57 -1.25 -0.03 0.00 -0.04 0.00 0.00 33.50 32.75 1sjg n PRO 46 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1sjg n HIS 47 N 0.48 0.00 -2.19 0.54 8.25 -1.26 -5.06 115.22 115.97 1sjg n HIS 47 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 1sjg n HIS 47 Cb 0.17 -0.36 -0.01 0.00 1.12 0.00 0.00 29.99 30.92 1sjg n HIS 47 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1sjg n GLN 48 N -3.59 -4.32 -4.54 -0.41 -0.06 -1.18 -4.95 117.38 98.34 1sjg n GLN 48 Ca -0.18 3.23 -0.25 0.00 -2.00 0.00 0.00 57.00 57.80 1sjg n GLN 48 Cb 0.56 -4.15 -0.11 0.00 -4.06 0.00 0.00 30.24 22.48 1sjg n GLN 48 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1sjg s GLU 49 N -0.82 1.81 0.62 3.69 0.41 -1.16 -4.90 118.70 118.36 1sjg s GLU 49 Ca -0.05 -2.03 -0.05 0.00 -0.41 0.00 0.00 54.97 52.44 1sjg s GLU 49 Cb 0.00 -1.20 0.03 0.00 -1.78 0.00 0.00 34.13 31.18 1sjg s GLU 49 CO 0.13 -0.15 0.92 0.96 -0.49 0.00 0.00 175.26 176.62 1sjg s ILE 50 N -3.04 3.00 -0.86 -1.63 -4.36 -1.26 -4.35 121.20 108.70 1sjg s ILE 50 Ca 0.34 -0.22 0.00 0.00 -0.26 0.00 0.00 60.65 60.51 1sjg s ILE 50 Cb 0.09 -3.22 0.00 0.00 1.25 0.00 0.00 42.46 40.58 1sjg s ILE 50 CO 0.16 -0.22 0.00 0.18 0.24 0.00 0.00 174.94 175.30 1sjg n LEU 51 N -2.66 -1.36 0.01 0.37 4.77 -1.26 -4.96 117.00 111.91 1sjg n LEU 51 Ca 0.06 0.02 -0.18 0.00 -0.03 0.00 0.00 56.01 55.88 1sjg n LEU 51 Cb 0.59 -1.64 -0.10 0.00 -2.33 0.00 0.00 43.42 39.94 1sjg n LEU 51 CO 0.51 -0.15 0.21 0.17 -1.33 0.00 0.00 177.39 176.80 1sjg h LEU 52 N 0.00 0.73 -0.99 2.23 -0.00 -1.98 -3.07 115.31 112.23 1sjg h LEU 52 Ca -0.23 -0.72 -0.03 0.00 -0.00 0.00 0.00 57.88 56.91 1sjg h LEU 52 Cb 1.11 -0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 41.54 1sjg h LEU 52 CO 0.28 1.35 -0.13 0.77 -0.00 0.00 0.00 178.44 180.71 1sjg h SER 53 N 0.18 0.00 -0.22 0.17 4.64 -1.92 -1.75 113.55 114.66 1sjg h SER 53 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1sjg h SER 53 Cb 1.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 1sjg h SER 53 CO 0.15 0.13 0.00 -0.62 -0.87 0.00 0.00 176.83 175.62 1sjg n GLU 54 N -3.23 2.01 0.00 4.77 -0.58 -1.17 -4.30 120.64 118.14 1sjg n GLU 54 Ca 0.01 -0.99 0.00 0.00 -0.42 0.00 0.00 57.16 55.76 1sjg n GLU 54 Cb 0.42 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 1sjg n GLU 54 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sjg n GLY 55 N 0.49 0.73 3.11 0.62 0.00 -0.66 -5.08 105.19 104.41 1sjg n GLY 55 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 1sjg n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sjg s SER 56 N -1.00 0.28 -0.15 1.61 0.01 -1.26 -5.05 113.70 108.14 1sjg s SER 56 Ca 0.00 -0.71 -0.00 0.00 1.31 0.00 0.00 55.95 56.55 1sjg s SER 56 Cb 0.00 0.23 0.04 0.00 0.21 0.00 0.00 66.02 66.49 1sjg s SER 56 CO 0.00 -0.56 -0.06 -0.47 0.41 0.00 0.00 173.24 172.56 1sjg s TYR 57 N -3.18 1.65 -0.35 2.43 5.04 -1.26 -4.17 117.35 117.52 1sjg s TYR 57 Ca -0.00 -0.99 -0.01 0.00 -2.44 0.00 0.00 57.07 53.63 1sjg s TYR 57 Cb 0.02 -1.30 0.08 0.00 0.35 0.00 0.00 41.96 41.11 1sjg s TYR 57 CO -0.07 -0.59 0.08 -2.00 -1.34 0.00 0.00 175.55 171.63 1sjg s GLU 58 N 1.65 2.11 0.00 4.97 2.12 0.12 -4.89 118.70 124.77 1sjg s GLU 58 Ca 0.02 -1.58 0.00 0.00 0.36 0.00 0.00 54.97 53.77 1sjg s GLU 58 Cb -0.14 -3.33 0.00 0.00 0.26 0.00 0.00 34.13 30.92 1sjg s GLU 58 CO -0.08 -0.84 0.00 0.41 -0.54 0.00 0.00 175.26 174.21 1sjg n GLY 59 N 4.54 1.10 0.00 -1.50 0.00 -1.26 -0.04 105.19 108.04 1sjg n GLY 59 Ca -0.06 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1sjg n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sjg n GLY 60 N 0.00 0.91 3.89 -0.02 0.00 -1.26 -4.96 105.19 103.75 1sjg n GLY 60 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1sjg n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sjg s VAL 61 N 0.00 5.45 -0.21 1.61 1.01 0.94 -4.38 120.40 124.83 1sjg s VAL 61 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1sjg s VAL 61 Cb 0.00 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.92 1sjg s VAL 61 CO 0.00 0.46 -0.14 0.27 0.00 0.00 0.00 175.10 175.69 1sjg s ILE 62 N -1.19 2.42 -0.14 2.22 -0.00 -1.25 -0.70 121.20 122.55 1sjg s ILE 62 Ca 0.22 -0.98 -0.03 0.00 -0.00 0.00 0.00 60.65 59.86 1sjg s ILE 62 Cb -0.12 -2.13 -0.03 0.00 -0.00 0.00 0.00 42.46 40.18 1sjg s ILE 62 CO 0.12 0.39 -0.03 -0.89 -0.00 0.00 0.00 174.94 174.52 1sjg s THR 63 N 1.30 3.94 -0.74 8.37 2.01 -1.26 -3.27 115.64 125.99 1sjg s THR 63 Ca 0.02 -0.35 0.25 0.00 0.31 0.00 0.00 61.69 61.93 1sjg s THR 63 Cb -0.15 -2.71 0.14 0.00 0.01 0.00 0.00 72.50 69.80 1sjg s THR 63 CO -0.09 0.52 1.54 0.00 -0.69 0.00 0.00 174.62 175.89 1sjg n ARG 65 N -2.04 0.00 -0.50 0.00 1.74 -1.26 -1.90 116.66 112.70 1sjg n ARG 65 Ca 0.05 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.19 1sjg n ARG 65 Cb 0.42 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 32.05 1sjg n ARG 65 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sjg n ALA 66 N 1.18 3.40 -1.20 7.54 0.00 -1.26 -5.00 120.51 125.17 1sjg n ALA 66 Ca 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 53.44 50.30 1sjg n ALA 66 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1sjg n ALA 66 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1sjg n HIS 67 N -1.18 0.00 0.00 0.00 8.25 -0.80 -4.97 115.22 116.52 1sjg n HIS 67 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 1sjg n HIS 67 Cb 0.70 -1.20 0.00 0.00 1.12 0.00 0.00 29.99 30.61 1sjg n HIS 67 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1sjg n LEU 68 N 0.00 0.00 -3.76 2.41 4.32 -1.21 -2.97 117.00 115.79 1sjg n LEU 68 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.87 1sjg n LEU 68 Cb 0.00 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 41.68 1sjg n LEU 68 CO 0.00 0.00 -0.10 -1.66 -1.22 0.00 0.00 177.39 174.41 1sjg s TRP 69 N 0.00 -0.30 -0.02 -1.77 -2.14 -1.26 -1.54 118.94 111.91 1sjg s TRP 69 Ca 0.00 0.73 0.00 0.00 2.66 0.00 0.00 56.10 59.49 1sjg s TRP 69 Cb 0.00 0.08 0.02 0.00 -3.10 0.00 0.00 33.47 30.47 1sjg s TRP 69 CO 0.00 -0.18 0.02 0.95 -2.66 0.00 0.00 176.95 175.08 1sjg s THR 70 N 0.67 -0.01 0.03 0.66 -4.23 -1.26 -1.50 115.64 110.00 1sjg s THR 70 Ca -0.04 0.15 0.01 0.00 -1.18 0.00 0.00 61.69 60.62 1sjg s THR 70 Cb -0.06 -0.09 -0.02 0.00 1.34 0.00 0.00 72.50 73.67 1sjg s THR 70 CO -0.04 0.08 -0.05 0.12 -0.54 0.00 0.00 174.62 174.18 1sjg s PHE 71 N 0.81 0.46 -0.47 3.99 5.36 -1.06 -3.54 117.98 123.53 1sjg s PHE 71 Ca -0.07 -0.54 -0.10 0.00 -0.96 0.00 0.00 56.93 55.26 1sjg s PHE 71 Cb -0.10 -0.29 0.12 0.00 -0.34 0.00 0.00 43.02 42.40 1sjg s PHE 71 CO -0.02 -0.15 0.36 1.21 -1.46 0.00 0.00 175.22 175.16 1sjg s ASN 72 N -1.58 5.76 0.38 6.13 3.84 -1.25 -3.93 114.94 124.29 1sjg s ASN 72 Ca -0.12 -1.86 0.13 0.00 0.21 0.00 0.00 52.86 51.22 1sjg s ASN 72 Cb -0.09 -2.03 0.95 0.00 -0.55 0.00 0.00 41.25 39.52 1sjg s ASN 72 CO -0.01 -0.70 1.83 -0.78 -2.79 0.00 0.00 177.10 174.66 1sjg h ASP 73 N 8.50 0.55 0.05 -4.21 3.58 -1.90 0.48 116.42 123.47 1sjg h ASP 73 Ca -0.22 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.28 1sjg h ASP 73 Cb 1.08 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1sjg h ASP 73 CO 0.87 0.22 -0.27 0.61 -2.88 0.00 0.00 179.24 177.80 1sjg n GLY 74 N -1.45 0.05 0.00 -0.78 0.00 -1.26 -4.51 105.19 97.23 1sjg n GLY 74 Ca 0.20 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1sjg n GLY 74 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sjg n THR 75 N 0.11 0.00 0.00 2.61 -1.04 -0.96 -5.04 114.28 109.96 1sjg n THR 75 Ca 0.12 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1sjg n THR 75 Cb 0.45 0.55 0.00 0.00 -1.82 0.00 0.00 70.33 69.51 1sjg n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sjg n GLY 76 N 0.02 1.73 3.56 3.41 0.00 0.16 -4.89 105.19 109.19 1sjg n GLY 76 Ca 0.00 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 1sjg n GLY 76 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sjg s HIS 77 N 0.00 1.31 0.00 1.61 3.76 -1.26 -3.76 115.29 116.95 1sjg s HIS 77 Ca 0.00 1.14 0.00 0.00 -0.15 0.00 0.00 55.06 56.05 1sjg s HIS 77 Cb 0.00 -3.81 0.00 0.00 1.11 0.00 0.00 32.58 29.88 1sjg s HIS 77 CO 0.00 -2.72 0.43 0.41 -0.85 0.00 0.00 174.74 172.01 1sjg n GLY 78 N 5.84 0.95 0.01 -2.22 0.00 0.41 -4.47 105.19 105.70 1sjg n GLY 78 Ca 0.30 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.43 1sjg n GLY 78 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1sjg n ILE 79 N 0.00 0.02 -0.95 -0.61 -0.00 -1.12 -2.56 119.36 114.14 1sjg n ILE 79 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 62.75 62.60 1sjg n ILE 79 Cb 0.47 0.63 0.00 0.00 -0.00 0.00 0.00 39.64 40.74 1sjg n ILE 79 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1sjg n ASN 80 N -1.74 -3.02 -2.93 4.38 3.02 -1.26 -4.71 115.26 109.01 1sjg n ASN 80 Ca 0.02 0.23 -0.13 0.00 -0.03 0.00 0.00 54.58 54.67 1sjg n ASN 80 Cb 0.40 -1.58 0.10 0.00 -0.61 0.00 0.00 39.78 38.09 1sjg n ASN 80 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1sjg n PRO 81 N 0.26 -1.71 0.00 3.52 -0.02 -1.26 -4.83 135.00 130.96 1sjg n PRO 81 Ca 0.00 -0.76 0.05 0.00 -2.02 0.00 0.00 63.50 60.77 1sjg n PRO 81 Cb 0.00 -0.67 0.31 0.00 -0.02 0.00 0.00 33.50 33.12 1sjg n PRO 81 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1sjg n ASP 82 N -3.72 0.00 0.20 2.55 5.75 -1.26 -1.03 116.55 119.03 1sjg n ASP 82 Ca 0.06 -0.57 0.10 0.00 -0.01 0.00 0.00 54.79 54.37 1sjg n ASP 82 Cb 0.25 0.00 0.13 0.00 -1.03 0.00 0.00 41.12 40.47 1sjg n ASP 82 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1sjg h ASP 83 N 0.00 0.00 -2.90 -1.12 3.58 -1.93 -3.44 116.42 110.62 1sjg h ASP 83 Ca 0.00 0.00 -0.67 0.00 0.42 0.00 0.00 57.03 56.78 1sjg h ASP 83 Cb 0.00 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 40.96 1sjg h ASP 83 CO 0.00 0.11 -0.53 0.00 -2.88 0.00 0.00 179.24 175.94 1sjg s LEU 86 N -3.82 2.21 -0.20 0.00 2.96 -1.25 -4.24 118.68 114.35 1sjg s LEU 86 Ca 0.10 -0.75 -0.18 0.00 -0.22 0.00 0.00 54.13 53.09 1sjg s LEU 86 Cb 0.02 0.31 -0.03 0.00 0.50 0.00 0.00 46.19 46.99 1sjg s LEU 86 CO 0.06 -0.51 0.49 0.00 -1.32 0.00 0.00 176.35 175.07 1sjg s ALA 87 N -2.99 3.55 -0.20 5.97 0.00 -1.26 -4.85 121.76 121.98 1sjg s ALA 87 Ca -0.02 -0.44 -0.16 0.00 0.00 0.00 0.00 51.96 51.34 1sjg s ALA 87 Cb 0.01 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 1sjg s ALA 87 CO -0.07 -0.42 0.43 -1.21 0.00 0.00 0.00 175.76 174.49 1sjg s GLU 88 N 1.58 4.18 -0.18 0.00 2.02 -1.26 -3.60 118.70 121.44 1sjg s GLU 88 Ca 0.23 0.26 -0.09 0.00 0.02 0.00 0.00 54.97 55.38 1sjg s GLU 88 Cb -0.15 -3.54 -0.05 0.00 0.10 0.00 0.00 34.13 30.49 1sjg s GLU 88 CO 0.09 -0.06 0.13 0.71 0.02 0.00 0.00 175.26 176.15 1sjg s TYR 89 N 1.38 3.44 -0.01 1.61 2.02 0.91 -5.00 117.35 121.70 1sjg s TYR 89 Ca 0.20 0.36 -0.30 0.00 -0.37 0.00 0.00 57.07 56.96 1sjg s TYR 89 Cb -0.15 -2.10 -0.07 0.00 -0.40 0.00 0.00 41.96 39.24 1sjg s TYR 89 CO 0.08 0.39 1.75 -2.14 -1.57 0.00 0.00 175.55 174.06 1sjg s PRO 90 N 0.03 4.17 -0.12 -1.71 0.02 -1.25 -3.51 135.00 132.63 1sjg s PRO 90 Ca 0.09 2.34 -0.02 0.00 0.02 0.00 0.00 61.00 63.44 1sjg s PRO 90 Cb -0.11 -3.98 -0.03 0.00 0.02 0.00 0.00 34.50 30.40 1sjg s PRO 90 CO -0.00 -0.86 -0.05 0.08 -0.33 0.00 0.00 177.00 175.83 1sjg s VAL 91 N 3.96 3.85 -0.10 3.83 1.01 -1.26 -1.19 120.40 130.49 1sjg s VAL 91 Ca 0.78 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 62.39 1sjg s VAL 91 Cb -0.37 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 1sjg s VAL 91 CO 0.34 0.54 -0.19 -0.70 0.00 0.00 0.00 175.10 175.09 1sjg s GLU 92 N -0.18 3.02 -0.26 2.72 2.12 0.15 -4.96 118.70 121.31 1sjg s GLU 92 Ca 0.03 -0.80 -0.06 0.00 0.36 0.00 0.00 54.97 54.50 1sjg s GLU 92 Cb -0.13 -2.40 -0.01 0.00 0.26 0.00 0.00 34.13 31.85 1sjg s GLU 92 CO 0.03 0.27 0.05 0.54 -0.54 0.00 0.00 175.26 175.60 1sjg s VAL 93 N 0.14 3.95 -0.44 3.70 0.11 -1.26 -1.37 120.40 125.23 1sjg s VAL 93 Ca -0.10 -0.44 0.02 0.00 -2.93 0.00 0.00 61.98 58.53 1sjg s VAL 93 Cb -0.16 -2.91 0.13 0.00 -1.53 0.00 0.00 36.38 31.92 1sjg s VAL 93 CO 0.06 0.26 0.22 -0.54 -3.33 0.00 0.00 175.10 171.77 1sjg s LYS 94 N 1.54 1.42 5.46 1.54 3.01 0.30 -5.02 119.74 127.99 1sjg s LYS 94 Ca 0.05 -2.07 0.00 0.00 -1.01 0.00 0.00 55.97 52.94 1sjg s LYS 94 Cb -0.16 -2.62 0.00 0.00 -1.01 0.00 0.00 37.83 34.05 1sjg s LYS 94 CO 0.01 -1.12 0.00 0.41 0.51 0.00 0.00 175.35 175.17 1sjg n GLY 95 N 3.60 1.05 0.79 -3.33 0.00 -1.26 -0.34 105.19 105.70 1sjg n GLY 95 Ca 0.06 0.45 0.11 0.00 0.00 0.00 0.00 46.02 46.64 1sjg n GLY 95 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sjg n ASP 96 N 10.87 2.63 -4.69 1.61 8.00 -1.26 -4.67 116.55 129.03 1sjg n ASP 96 Ca 0.00 -1.81 -0.35 0.00 0.71 0.00 0.00 54.79 53.34 1sjg n ASP 96 Cb 0.00 0.10 -0.09 0.00 -0.02 0.00 0.00 41.12 41.10 1sjg n ASP 96 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1sjg s ASP 97 N -1.91 5.30 -0.11 -2.24 1.01 0.53 0.31 116.67 119.55 1sjg s ASP 97 Ca 0.24 0.15 0.01 0.00 0.71 0.00 0.00 52.55 53.66 1sjg s ASP 97 Cb 0.18 -1.52 0.02 0.00 1.01 0.00 0.00 42.92 42.60 1sjg s ASP 97 CO 0.32 0.37 -0.12 -0.63 0.21 0.00 0.00 175.17 175.32 1sjg s ILE 98 N -0.83 1.30 0.02 0.77 -1.09 -0.43 -0.54 121.20 120.40 1sjg s ILE 98 Ca 0.13 -0.49 0.08 0.00 -2.23 0.00 0.00 60.65 58.14 1sjg s ILE 98 Cb -0.11 -1.23 -0.03 0.00 -1.58 0.00 0.00 42.46 39.50 1sjg s ILE 98 CO 0.02 0.41 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.59 1sjg s TYR 99 N 1.32 2.40 -0.01 3.97 1.51 -0.47 -1.94 117.35 124.13 1sjg s TYR 99 Ca -0.01 -0.37 0.02 0.00 -1.01 0.00 0.00 57.07 55.70 1sjg s TYR 99 Cb -0.14 -1.46 -0.00 0.00 -0.11 0.00 0.00 41.96 40.25 1sjg s TYR 99 CO -0.06 0.10 -0.07 0.08 -1.11 0.00 0.00 175.55 174.50 1sjg s VAL 100 N -0.76 0.58 -0.36 0.71 1.01 -0.07 0.29 120.40 121.81 1sjg s VAL 100 Ca 0.12 -0.30 -0.17 0.00 0.00 0.00 0.00 61.98 61.63 1sjg s VAL 100 Cb -0.10 -0.50 -0.00 0.00 0.00 0.00 0.00 36.38 35.78 1sjg s VAL 100 CO 0.02 0.17 0.45 -0.55 0.00 0.00 0.00 175.10 175.19 1sjg s SER 101 N -0.08 6.25 -0.02 3.32 0.15 -0.34 -0.52 113.70 122.46 1sjg s SER 101 Ca 0.02 -0.20 -0.01 0.00 0.70 0.00 0.00 55.95 56.46 1sjg s SER 101 Cb -0.04 -2.24 -0.01 0.00 -1.71 0.00 0.00 66.02 62.02 1sjg s SER 101 CO -0.00 -0.45 -0.02 0.35 1.20 0.00 0.00 173.24 174.31 1sjg n THR 102 N 5.37 0.11 -2.50 6.45 -2.24 -1.26 -3.88 114.28 116.33 1sjg n THR 102 Ca -0.07 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 1sjg n THR 102 Cb 0.49 -1.24 -0.03 0.00 -2.10 0.00 0.00 70.33 67.45 1sjg n THR 102 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1sjg s LYS 103 N -2.04 3.39 0.00 -0.78 2.20 -1.26 -2.65 119.74 118.60 1sjg s LYS 103 Ca -0.03 0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.86 1sjg s LYS 103 Cb 0.01 -4.08 0.00 0.00 -1.51 0.00 0.00 37.83 32.25 1sjg s LYS 103 CO 0.04 -1.84 0.00 0.41 -0.36 0.00 0.00 175.35 173.60 1sjg n GLY 104 N 5.18 3.11 3.70 5.54 0.00 -1.26 -4.69 105.19 116.76 1sjg n GLY 104 Ca 0.09 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 1sjg n GLY 104 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sjg s ILE 105 N 0.00 5.29 0.11 -0.61 1.01 -1.09 -5.05 121.20 120.86 1sjg s ILE 105 Ca 0.00 0.54 -0.30 0.00 0.00 0.00 0.00 60.65 60.89 1sjg s ILE 105 Cb 0.00 -3.64 -0.06 0.00 0.01 0.00 0.00 42.46 38.77 1sjg s ILE 105 CO 0.00 0.35 1.10 -0.76 0.00 0.00 0.00 174.94 175.63 1sjg s LEU 106 N 0.76 4.44 0.28 2.97 1.02 -1.26 -4.97 118.68 121.91 1sjg s LEU 106 Ca 0.16 1.98 -0.30 0.00 0.02 0.00 0.00 54.13 55.98 1sjg s LEU 106 Cb -0.13 -3.59 -0.11 0.00 0.02 0.00 0.00 46.19 42.37 1sjg s LEU 106 CO 0.05 -0.29 1.58 -2.16 0.02 0.00 0.00 176.35 175.55 1sjg s PRO 107 N 0.30 4.14 -0.23 1.29 0.04 -1.26 -4.81 135.00 134.47 1sjg s PRO 107 Ca 0.52 2.54 -0.08 0.00 0.04 0.00 0.00 61.00 64.03 1sjg s PRO 107 Cb -0.28 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 1sjg s PRO 107 CO 0.32 -0.61 0.08 -0.80 0.04 0.00 0.00 177.00 176.03 1sjg s ASN 108 N 0.53 5.41 0.34 6.66 0.02 -1.26 -4.79 114.94 121.85 1sjg s ASN 108 Ca 0.64 -0.08 0.00 0.00 -1.02 0.00 0.00 52.86 52.39 1sjg s ASN 108 Cb -0.47 -1.96 0.00 0.00 0.02 0.00 0.00 41.25 38.84 1sjg s ASN 108 CO 0.46 0.04 0.00 1.17 0.02 0.00 0.00 177.10 178.79 1sjg n LYS 109 N 4.45 -2.82 0.00 -0.60 3.00 -1.26 -4.06 118.16 116.87 1sjg n LYS 109 Ca -0.16 1.89 0.00 0.00 -0.00 0.00 0.00 58.31 60.04 1sjg n LYS 109 Cb 0.52 -3.43 0.00 0.00 0.00 0.00 0.00 35.03 32.11 1sjg n LYS 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1sjg n ALA 110 N -2.32 0.00 -3.73 3.14 0.00 -1.26 -4.06 120.51 112.28 1sjg n ALA 110 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.16 1sjg n ALA 110 Cb 0.66 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.96 1sjg n ALA 110 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1sjg s HIS 111 N 0.00 1.30 -1.55 0.00 2.46 -1.26 -4.57 115.29 111.66 1sjg s HIS 111 Ca 0.00 -1.25 0.12 0.00 0.47 0.00 0.00 55.06 54.41 1sjg s HIS 111 Cb 0.00 -1.31 0.10 0.00 -0.13 0.00 0.00 32.58 31.24 1sjg s HIS 111 CO 0.00 -0.74 0.89 0.43 -2.47 0.00 0.00 174.74 172.85