#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjg h SER 2 N 0.00 -0.25 -3.62 6.12 0.02 -1.93 -3.41 113.55 110.48 1sjg h SER 2 Ca 0.00 0.04 -0.67 0.00 -0.84 0.00 0.00 61.79 60.32 1sjg h SER 2 Cb 0.00 0.10 -0.17 0.00 0.14 0.00 0.00 62.40 62.48 1sjg h SER 2 CO 0.00 -0.13 -0.74 -0.36 -1.14 0.00 0.00 176.83 174.46 1sjg s PHE 3 N -6.16 2.75 -0.01 3.45 0.40 -1.26 -3.54 117.98 113.60 1sjg s PHE 3 Ca -0.14 -0.14 -0.03 0.00 -0.60 0.00 0.00 56.93 56.01 1sjg s PHE 3 Cb 0.07 -1.48 0.00 0.00 0.51 0.00 0.00 43.02 42.13 1sjg s PHE 3 CO 0.66 0.39 0.07 -2.00 0.70 0.00 0.00 175.22 175.05 1sjg s GLU 4 N -1.93 0.25 0.06 0.44 2.12 0.19 -4.90 118.70 114.93 1sjg s GLU 4 Ca 0.20 -0.18 -0.31 0.00 0.36 0.00 0.00 54.97 55.04 1sjg s GLU 4 Cb -0.11 0.10 -0.06 0.00 0.26 0.00 0.00 34.13 34.32 1sjg s GLU 4 CO 0.11 -0.05 1.24 0.21 -0.54 0.00 0.00 175.26 176.24 1sjg s LYS 5 N -0.67 4.40 -0.26 4.30 2.20 -1.26 -0.68 119.74 127.77 1sjg s LYS 5 Ca -0.07 1.83 -0.02 0.00 -0.36 0.00 0.00 55.97 57.34 1sjg s LYS 5 Cb -0.05 -3.35 -0.15 0.00 -1.51 0.00 0.00 37.83 32.77 1sjg s LYS 5 CO 0.00 -0.31 -0.26 1.51 -0.36 0.00 0.00 175.35 175.93 1sjg n ILE 6 N 4.00 1.47 -3.68 5.43 0.13 -0.46 -4.94 119.36 121.31 1sjg n ILE 6 Ca 0.10 -0.51 -0.03 0.00 -1.10 0.00 0.00 62.75 61.20 1sjg n ILE 6 Cb 0.45 -1.52 0.02 0.00 -0.84 0.00 0.00 39.64 37.75 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 -2.57 2.78 0.60 0.00 0.01 -1.26 -1.54 113.70 111.72 1sjg s SER 8 Ca 0.14 -0.72 0.32 0.00 1.31 0.00 0.00 55.95 57.00 1sjg s SER 8 Cb -0.02 -0.16 1.89 0.00 0.21 0.00 0.00 66.02 67.94 1sjg s SER 8 CO 0.05 0.09 2.27 0.25 0.41 0.00 0.00 173.24 176.31 1sjg h LEU 9 N 3.95 0.00 -2.61 2.44 6.46 0.27 0.21 115.31 126.03 1sjg h LEU 9 Ca -0.47 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.29 1sjg h LEU 9 Cb 1.18 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.11 1sjg h LEU 9 CO 0.40 0.00 -0.00 -0.78 -0.62 0.00 0.00 178.44 177.44 1sjg h ASP 10 N 0.00 0.00 0.00 1.25 3.58 -1.96 -3.01 116.42 116.28 1sjg h ASP 10 Ca -0.00 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.15 1sjg h ASP 10 Cb 0.01 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.01 1sjg h ASP 10 CO 0.00 0.00 -2.05 -0.67 -2.88 0.00 0.00 179.24 173.65 1sjg n ASP 11 N -3.58 1.93 -4.46 2.28 2.03 0.47 -4.93 116.55 110.29 1sjg n ASP 11 Ca -0.03 0.08 -0.42 0.00 0.52 0.00 0.00 54.79 54.94 1sjg n ASP 11 Cb 0.09 -0.44 -0.10 0.00 -0.72 0.00 0.00 41.12 39.95 1sjg n ASP 11 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1sjg s ILE 12 N -2.35 5.16 0.29 5.18 1.10 0.36 -5.05 121.20 125.88 1sjg s ILE 12 Ca -0.26 -0.62 0.06 0.00 -0.51 0.00 0.00 60.65 59.33 1sjg s ILE 12 Cb 0.08 -3.84 -0.02 0.00 0.15 0.00 0.00 42.46 38.83 1sjg s ILE 12 CO 0.37 -0.25 0.37 0.26 -2.11 0.00 0.00 174.94 173.59 1sjg s TRP 13 N 1.67 3.19 0.02 3.50 0.52 -1.25 -4.07 118.94 122.53 1sjg s TRP 13 Ca 0.05 -0.15 -0.30 0.00 0.02 0.00 0.00 56.10 55.71 1sjg s TRP 13 Cb -0.19 -1.75 -0.07 0.00 -1.15 0.00 0.00 33.47 30.31 1sjg s TRP 13 CO 0.10 0.23 1.56 0.54 0.02 0.00 0.00 176.95 179.40 1sjg s VAL 14 N -2.12 3.37 0.00 4.03 0.11 -1.26 -1.59 120.40 122.94 1sjg s VAL 14 Ca 0.39 0.74 0.00 0.00 -2.93 0.00 0.00 61.98 60.19 1sjg s VAL 14 Cb -0.09 -3.48 0.00 0.00 -1.53 0.00 0.00 36.38 31.29 1sjg s VAL 14 CO 0.29 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.66 1sjg n GLY 15 N 3.89 0.72 3.46 6.54 0.00 0.21 -4.89 105.19 115.11 1sjg n GLY 15 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.69 1.65 -0.04 1.61 2.02 -0.62 -4.97 118.70 117.66 1sjg s GLU 16 Ca 0.00 -1.68 -0.17 0.00 0.02 0.00 0.00 54.97 53.14 1sjg s GLU 16 Cb 0.00 -1.81 0.03 0.00 0.10 0.00 0.00 34.13 32.45 1sjg s GLU 16 CO 0.00 0.35 0.37 0.00 0.02 0.00 0.00 175.26 176.01 1sjg s MET 17 N -3.26 0.69 -0.02 1.61 0.23 -1.26 -0.92 119.30 116.37 1sjg s MET 17 Ca 0.27 -0.03 -0.25 0.00 -1.03 0.00 0.00 55.69 54.66 1sjg s MET 17 Cb -0.06 0.31 0.05 0.00 -1.53 0.00 0.00 34.83 33.61 1sjg s MET 17 CO 0.14 -0.19 0.55 -1.83 -2.03 0.00 0.00 175.02 171.66 1sjg s GLU 18 N -1.10 0.96 0.14 3.16 -1.05 -0.32 -4.79 118.70 115.70 1sjg s GLU 18 Ca -0.11 0.02 -0.30 0.00 -0.15 0.00 0.00 54.97 54.42 1sjg s GLU 18 Cb -0.04 0.44 -0.07 0.00 -0.44 0.00 0.00 34.13 34.02 1sjg s GLU 18 CO 0.05 -0.31 1.21 0.99 0.95 0.00 0.00 175.26 178.15 1sjg s THR 19 N -1.55 3.69 0.11 1.83 2.01 -1.26 -0.82 115.64 119.65 1sjg s THR 19 Ca -0.10 1.35 0.05 0.00 0.31 0.00 0.00 61.69 63.30 1sjg s THR 19 Cb -0.01 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1sjg s THR 19 CO 0.06 0.18 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.67 1sjg s PHE 20 N 0.33 1.30 -0.05 4.92 0.08 0.66 -4.93 117.98 120.29 1sjg s PHE 20 Ca 0.55 -0.57 -0.02 0.00 0.12 0.00 0.00 56.93 57.02 1sjg s PHE 20 Cb -0.32 -0.69 -0.04 0.00 -0.57 0.00 0.00 43.02 41.40 1sjg s PHE 20 CO 0.34 0.10 0.06 -2.00 -0.10 0.00 0.00 175.22 173.62 1sjg s GLU 21 N -2.58 3.07 0.92 0.44 2.12 -1.26 -0.40 118.70 121.00 1sjg s GLU 21 Ca 0.07 -0.41 -0.12 0.00 0.36 0.00 0.00 54.97 54.86 1sjg s GLU 21 Cb -0.05 -2.87 0.20 0.00 0.26 0.00 0.00 34.13 31.66 1sjg s GLU 21 CO 0.02 0.69 1.25 0.95 -0.54 0.00 0.00 175.26 177.63 1sjg s THR 22 N -1.05 2.01 -0.40 -1.70 -4.23 0.47 -4.92 115.64 105.81 1sjg s THR 22 Ca 0.18 -0.17 0.26 0.00 -1.18 0.00 0.00 61.69 60.78 1sjg s THR 22 Cb -0.12 -2.84 0.32 0.00 1.34 0.00 0.00 72.50 71.20 1sjg s THR 22 CO 0.08 0.00 1.76 0.28 -0.54 0.00 0.00 174.62 176.20 1sjg h SER 23 N -1.41 0.00 0.85 3.99 0.02 -1.98 -2.78 113.55 112.24 1sjg h SER 23 Ca -0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1sjg h SER 23 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1sjg h SER 23 CO 0.35 0.00 -0.40 -0.67 -1.14 0.00 0.00 176.83 174.97 1sjg n ASP 24 N -2.72 0.53 0.00 3.07 2.03 -1.26 -4.92 116.55 113.28 1sjg n ASP 24 Ca 0.03 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1sjg n ASP 24 Cb 0.40 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 1sjg n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sjg n GLY 25 N 1.41 1.06 3.61 0.27 0.00 -1.05 -5.07 105.19 105.43 1sjg n GLY 25 Ca 0.05 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 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 5.18 -0.22 2.61 2.01 -1.26 -4.83 115.64 117.13 1sjg s THR 26 Ca 0.00 0.56 -0.19 0.00 0.31 0.00 0.00 61.69 62.37 1sjg s THR 26 Cb 0.00 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 1sjg s THR 26 CO 0.00 0.17 0.56 -1.61 -0.69 0.00 0.00 174.62 173.05 1sjg s GLU 27 N 1.97 4.16 0.01 4.92 2.02 -1.26 -0.40 118.70 130.13 1sjg s GLU 27 Ca 0.15 0.46 0.06 0.00 0.02 0.00 0.00 54.97 55.65 1sjg s GLU 27 Cb -0.16 -3.60 -0.02 0.00 0.10 0.00 0.00 34.13 30.46 1sjg s GLU 27 CO 0.10 -0.25 -0.18 0.08 0.02 0.00 0.00 175.26 175.04 1sjg s VAL 28 N 1.95 1.40 -0.36 2.63 1.01 0.46 -2.17 120.40 125.32 1sjg s VAL 28 Ca 0.25 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 61.12 1sjg s VAL 28 Cb -0.16 -1.20 -0.00 0.00 0.00 0.00 0.00 36.38 35.03 1sjg s VAL 28 CO 0.09 0.25 0.51 -0.22 0.00 0.00 0.00 175.10 175.74 1sjg s LEU 29 N -0.78 4.40 -0.38 3.92 0.20 0.13 -0.25 118.68 125.92 1sjg s LEU 29 Ca 0.06 -0.10 -0.17 0.00 0.69 0.00 0.00 54.13 54.60 1sjg s LEU 29 Cb -0.07 -2.57 0.01 0.00 -0.43 0.00 0.00 46.19 43.12 1sjg s LEU 29 CO 0.00 -0.50 0.46 -0.63 -0.29 0.00 0.00 176.35 175.40 1sjg s ILE 30 N 2.39 5.06 -0.19 6.68 1.09 -0.00 -2.74 121.20 133.48 1sjg s ILE 30 Ca 0.18 0.02 -0.04 0.00 -1.10 0.00 0.00 60.65 59.71 1sjg s ILE 30 Cb -0.16 -3.98 -0.02 0.00 -1.06 0.00 0.00 42.46 37.25 1sjg s ILE 30 CO 0.14 -0.29 -0.04 -0.69 -0.10 0.00 0.00 174.94 173.96 1sjg s VAL 31 N 2.26 3.65 -0.45 2.92 1.01 0.05 -1.17 120.40 128.67 1sjg s VAL 31 Ca 0.15 -0.42 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 1sjg s VAL 31 Cb -0.16 -2.63 0.05 0.00 0.00 0.00 0.00 36.38 33.64 1sjg s VAL 31 CO 0.14 0.45 0.35 0.21 0.00 0.00 0.00 175.10 176.25 1sjg s ASN 32 N 0.96 6.12 0.07 3.32 3.84 -0.10 -0.00 114.94 129.15 1sjg s ASN 32 Ca 0.00 -1.15 -0.03 0.00 0.21 0.00 0.00 52.86 51.89 1sjg s ASN 32 Cb -0.15 -2.17 -0.05 0.00 -0.55 0.00 0.00 41.25 38.34 1sjg s ASN 32 CO 0.01 -0.56 0.27 -0.44 -2.79 0.00 0.00 177.10 173.58 1sjg s SER 33 N 2.21 6.42 0.15 -4.21 0.01 -0.23 0.63 113.70 118.68 1sjg s SER 33 Ca 0.04 0.42 -0.05 0.00 1.31 0.00 0.00 55.95 57.67 1sjg s SER 33 Cb -0.22 -2.02 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 1sjg s SER 33 CO 0.08 0.16 1.38 1.05 0.41 0.00 0.00 173.24 176.31 1sjg h GLU 34 N 3.20 0.53 0.00 12.44 4.11 -1.90 -2.97 114.58 130.00 1sjg h GLU 34 Ca -0.46 -0.45 -0.17 0.00 0.07 0.00 0.00 59.36 58.35 1sjg h GLU 34 Cb 1.17 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 1sjg h GLU 34 CO 0.73 1.08 -1.65 -1.91 0.07 0.00 0.00 179.01 177.33 1sjg n GLU 35 N -3.86 0.72 0.00 1.06 2.13 -1.26 -4.65 120.64 114.78 1sjg n GLU 35 Ca -0.06 0.05 0.15 0.00 0.66 0.00 0.00 57.16 57.97 1sjg n GLU 35 Cb 0.73 -1.23 0.75 0.00 0.27 0.00 0.00 31.44 31.97 1sjg n GLU 35 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1sjg n HIS 36 N -2.74 0.00 -0.83 4.31 -0.00 -1.26 -5.02 115.22 109.68 1sjg n HIS 36 Ca -0.19 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.02 1sjg n HIS 36 Cb 0.73 -0.16 -0.01 0.00 -0.12 0.00 0.00 29.99 30.43 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 1.20 -2.15 3.71 1.57 0.00 -1.12 -4.77 105.19 103.63 1sjg n GLY 37 Ca 0.17 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 1sjg n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sjg s VAL 38 N -1.10 4.61 0.01 1.61 1.01 -1.26 -1.07 120.40 124.21 1sjg s VAL 38 Ca 0.00 1.87 0.05 0.00 0.00 0.00 0.00 61.98 63.90 1sjg s VAL 38 Cb 0.00 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 1sjg s VAL 38 CO 0.00 0.13 -0.14 -0.54 0.00 0.00 0.00 175.10 174.55 1sjg s LYS 39 N 1.13 1.09 -0.19 2.72 -0.14 1.00 -4.87 119.74 120.47 1sjg s LYS 39 Ca 0.54 -0.59 0.01 0.00 -1.36 0.00 0.00 55.97 54.57 1sjg s LYS 39 Cb -0.23 -1.07 0.04 0.00 -1.68 0.00 0.00 37.83 34.89 1sjg s LYS 39 CO 0.28 0.28 -0.10 0.00 -0.76 0.00 0.00 175.35 175.05 1sjg s ALA 40 N -0.49 1.97 0.05 5.17 0.00 -1.26 -0.77 121.76 126.44 1sjg s ALA 40 Ca 0.04 -1.16 -0.05 0.00 0.00 0.00 0.00 51.96 50.79 1sjg s ALA 40 Cb -0.06 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 1sjg s ALA 40 CO 0.00 -0.78 0.09 1.52 0.00 0.00 0.00 175.76 176.59 1sjg s TYR 41 N 1.41 0.27 0.26 0.00 -0.85 -1.11 -0.34 117.35 116.98 1sjg s TYR 41 Ca -0.01 -0.66 -0.30 0.00 -0.52 0.00 0.00 57.07 55.59 1sjg s TYR 41 Cb -0.16 -0.18 -0.14 0.00 0.38 0.00 0.00 41.96 41.86 1sjg s TYR 41 CO -0.08 -0.41 1.10 1.04 -1.52 0.00 0.00 175.55 175.67 1sjg n GLN 42 N 0.41 1.40 0.00 -3.49 1.13 -1.19 0.21 117.38 115.85 1sjg n GLN 42 Ca -0.17 0.49 0.00 0.00 -1.94 0.00 0.00 57.00 55.38 1sjg n GLN 42 Cb 0.60 -1.93 0.00 0.00 0.11 0.00 0.00 30.24 29.02 1sjg n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1sjg n ALA 43 N 0.72 0.75 -0.66 -1.58 0.00 -0.92 -4.51 120.51 114.31 1sjg n ALA 43 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1sjg n ALA 43 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 1sjg n ALA 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1sjg n MET 44 N -1.54 0.00 -2.92 0.00 0.00 -1.26 -4.88 117.12 106.52 1sjg n MET 44 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 57.70 57.62 1sjg n MET 44 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.23 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 0.26 2.98 0.00 0.00 -0.04 -1.26 -3.60 135.00 133.33 1sjg n PRO 46 Ca 0.04 -1.72 0.00 0.00 -0.04 0.00 0.00 63.50 61.78 1sjg n PRO 46 Cb 0.32 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 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 0.26 0.00 -0.11 0.54 8.25 -1.26 -4.90 115.22 118.00 1sjg n HIS 47 Ca 0.17 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.48 1sjg n HIS 47 Cb 0.81 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.81 1sjg n HIS 47 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1sjg n GLN 48 N -1.56 0.61 0.00 -0.41 3.00 -1.26 -5.01 117.38 112.75 1sjg n GLN 48 Ca 0.00 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 1sjg n GLN 48 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 28.77 1sjg n GLN 48 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1sjg n GLU 49 N -3.15 0.00 0.00 -1.09 2.13 -1.24 -4.88 120.64 112.42 1sjg n GLU 49 Ca -0.40 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.42 1sjg n GLU 49 Cb 0.95 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.66 1sjg n GLU 49 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1sjg n ILE 50 N 0.00 0.00 -3.04 6.31 5.41 -1.26 -2.69 119.36 124.09 1sjg n ILE 50 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.77 1sjg n ILE 50 Cb 0.00 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1sjg n ILE 50 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1sjg s LEU 51 N 0.00 -1.01 0.55 1.39 1.43 -1.26 -5.04 118.68 114.74 1sjg s LEU 51 Ca 0.00 -0.38 0.33 0.00 -1.03 0.00 0.00 54.13 53.05 1sjg s LEU 51 Cb 0.00 1.36 1.52 0.00 0.03 0.00 0.00 46.19 49.10 1sjg s LEU 51 CO 0.00 -0.13 2.05 0.17 0.23 0.00 0.00 176.35 178.68 1sjg h LEU 52 N 6.58 0.00 -0.04 1.79 -0.00 -1.84 -0.65 115.31 121.15 1sjg h LEU 52 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1sjg h LEU 52 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 1sjg h LEU 52 CO 0.03 0.07 0.00 -1.54 -0.00 0.00 0.00 178.44 176.99 1sjg n SER 53 N -3.27 0.11 -1.07 0.17 3.41 -1.26 -2.09 113.62 109.61 1sjg n SER 53 Ca -0.01 0.52 0.08 0.00 -0.26 0.00 0.00 58.87 59.20 1sjg n SER 53 Cb 0.26 -0.54 0.25 0.00 -0.26 0.00 0.00 64.21 63.92 1sjg n SER 53 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1sjg n GLU 54 N -1.61 2.44 0.00 4.33 0.00 -0.25 -4.59 120.64 120.96 1sjg n GLU 54 Ca 0.05 -2.02 0.00 0.00 0.00 0.00 0.00 57.16 55.19 1sjg n GLU 54 Cb 0.28 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.22 1sjg n GLU 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sjg n GLY 55 N 1.29 0.81 3.27 8.31 0.00 -0.89 -4.76 105.19 113.23 1sjg n GLY 55 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 1sjg n GLY 55 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sjg s SER 56 N -1.00 -0.13 -0.06 1.61 0.15 -0.66 -4.91 113.70 108.70 1sjg s SER 56 Ca 0.00 -0.27 0.02 0.00 0.70 0.00 0.00 55.95 56.40 1sjg s SER 56 Cb 0.00 0.39 0.02 0.00 -1.71 0.00 0.00 66.02 64.72 1sjg s SER 56 CO 0.00 -0.70 -0.10 -0.47 1.20 0.00 0.00 173.24 173.17 1sjg s TYR 57 N -3.07 1.26 0.24 3.44 5.04 -1.26 -0.16 117.35 122.84 1sjg s TYR 57 Ca -0.01 -0.46 0.10 0.00 -2.44 0.00 0.00 57.07 54.26 1sjg s TYR 57 Cb 0.01 -0.97 -0.04 0.00 0.35 0.00 0.00 41.96 41.30 1sjg s TYR 57 CO -0.07 -0.27 -0.09 -2.00 -1.34 0.00 0.00 175.55 171.78 1sjg s GLU 58 N 0.83 2.02 0.53 4.97 -6.30 0.13 -5.00 118.70 115.89 1sjg s GLU 58 Ca -0.12 -1.48 0.31 0.00 -2.50 0.00 0.00 54.97 51.19 1sjg s GLU 58 Cb -0.15 -2.04 1.47 0.00 0.00 0.00 0.00 34.13 33.41 1sjg s GLU 58 CO 0.02 0.38 1.88 0.78 0.02 0.00 0.00 175.26 178.33 1sjg h GLY 59 N 2.34 0.06 0.00 -1.50 0.00 -2.01 -2.53 103.07 99.43 1sjg h GLY 59 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1sjg h GLY 59 CO 0.58 -0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.72 1sjg n GLY 60 N -1.71 0.08 3.08 4.60 0.00 -1.26 -4.81 105.19 105.17 1sjg n GLY 60 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.25 1.63 -0.14 1.61 1.01 -0.95 -1.02 120.40 122.29 1sjg s VAL 61 Ca 0.00 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 1sjg s VAL 61 Cb 0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1sjg s VAL 61 CO 0.00 0.47 0.07 -0.63 0.00 0.00 0.00 175.10 175.01 1sjg s ILE 62 N 0.98 4.93 -0.23 2.22 1.01 -0.25 0.20 121.20 130.06 1sjg s ILE 62 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.59 1sjg s ILE 62 Cb -0.15 -3.16 0.03 0.00 0.01 0.00 0.00 42.46 39.19 1sjg s ILE 62 CO -0.02 0.55 -0.11 -0.89 0.00 0.00 0.00 174.94 174.47 1sjg s THR 63 N -0.45 2.50 0.46 2.92 2.01 0.78 -1.63 115.64 122.23 1sjg s THR 63 Ca 0.10 -1.09 -0.24 0.00 0.31 0.00 0.00 61.69 60.77 1sjg s THR 63 Cb -0.12 -2.23 -0.07 0.00 0.01 0.00 0.00 72.50 70.08 1sjg s THR 63 CO 0.02 0.28 1.31 0.00 -0.69 0.00 0.00 174.62 175.54 1sjg h ARG 65 N 2.15 -0.38 -2.32 0.00 1.12 -1.77 -3.37 114.38 109.80 1sjg h ARG 65 Ca -0.50 0.03 -0.48 0.00 -1.11 0.00 0.00 59.98 57.92 1sjg h ARG 65 Cb 1.26 0.09 -0.36 0.00 -0.01 0.00 0.00 29.97 30.95 1sjg h ARG 65 CO 0.60 -0.25 -0.77 0.00 -3.11 0.00 0.00 179.97 176.44 1sjg s ALA 66 N -5.98 0.28 0.00 2.80 0.00 -1.26 -4.87 121.76 112.72 1sjg s ALA 66 Ca -0.15 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.46 1sjg s ALA 66 Cb 0.11 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.46 1sjg s ALA 66 CO 0.66 -2.06 0.00 1.58 0.00 0.00 0.00 175.76 175.94 1sjg n HIS 67 N 4.31 -0.55 -3.84 0.00 -0.00 -1.26 -4.73 115.22 109.15 1sjg n HIS 67 Ca 0.09 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.15 1sjg n HIS 67 Cb 0.41 0.11 -0.11 0.00 -0.12 0.00 0.00 29.99 30.28 1sjg n HIS 67 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1sjg s LEU 68 N -2.55 1.45 0.20 0.27 0.20 -1.26 -5.08 118.68 111.91 1sjg s LEU 68 Ca 0.00 0.13 0.23 0.00 0.69 0.00 0.00 54.13 55.18 1sjg s LEU 68 Cb 0.00 0.60 0.03 0.00 -0.43 0.00 0.00 46.19 46.38 1sjg s LEU 68 CO 0.00 -0.17 1.07 4.11 -0.29 0.00 0.00 176.35 181.07 1sjg h TRP 69 N 5.30 0.00 -3.45 5.38 0.09 -1.88 -3.14 115.95 118.25 1sjg h TRP 69 Ca -0.27 0.00 -0.63 0.00 0.09 0.00 0.00 58.89 58.08 1sjg h TRP 69 Cb 1.20 0.00 -0.18 0.00 0.08 0.00 0.00 29.16 30.26 1sjg h TRP 69 CO 0.47 0.00 -0.57 0.95 0.09 0.00 0.00 178.44 179.38 1sjg s THR 70 N -3.35 4.72 0.01 0.12 -4.23 -1.26 -3.85 115.64 107.81 1sjg s THR 70 Ca 0.00 -0.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.47 1sjg s THR 70 Cb 0.10 -3.16 -0.01 0.00 1.34 0.00 0.00 72.50 70.77 1sjg s THR 70 CO 0.78 0.41 -0.03 0.12 -0.54 0.00 0.00 174.62 175.36 1sjg s PHE 71 N 0.84 0.27 -0.48 3.99 5.36 -0.65 -4.22 117.98 123.08 1sjg s PHE 71 Ca 0.04 -0.26 -0.16 0.00 -0.96 0.00 0.00 56.93 55.59 1sjg s PHE 71 Cb -0.13 -0.17 0.07 0.00 -0.34 0.00 0.00 43.02 42.45 1sjg s PHE 71 CO 0.02 -0.08 0.44 1.21 -1.46 0.00 0.00 175.22 175.36 1sjg s ASN 72 N -0.73 6.16 0.22 6.13 3.84 -1.26 -1.09 114.94 128.21 1sjg s ASN 72 Ca -0.06 -1.30 -0.07 0.00 0.21 0.00 0.00 52.86 51.64 1sjg s ASN 72 Cb -0.05 -2.20 0.19 0.00 -0.55 0.00 0.00 41.25 38.64 1sjg s ASN 72 CO -0.00 -0.70 1.78 -0.78 -2.79 0.00 0.00 177.10 174.61 1sjg h ASP 73 N 8.81 1.06 -0.35 -4.21 1.82 -1.42 -1.77 116.42 120.35 1sjg h ASP 73 Ca -0.28 -0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 1sjg h ASP 73 Cb 1.11 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.82 1sjg h ASP 73 CO 0.91 0.95 0.22 1.23 -1.61 0.00 0.00 179.24 180.94 1sjg h GLY 74 N 1.13 0.51 1.59 -0.78 0.00 -1.88 -3.02 103.07 100.62 1sjg h GLY 74 Ca 0.25 -0.20 -0.28 0.00 0.00 0.00 0.00 47.33 47.10 1sjg h GLY 74 CO -0.02 0.19 -1.27 -0.84 0.00 0.00 0.00 176.54 174.61 1sjg h THR 75 N 0.47 1.47 0.00 4.70 2.02 -1.92 -3.47 112.91 116.19 1sjg h THR 75 Ca 0.13 -3.03 0.00 0.00 0.77 0.00 0.00 66.41 64.28 1sjg h THR 75 Cb -0.03 2.95 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 1sjg h THR 75 CO -0.03 0.89 0.00 0.61 0.37 0.00 0.00 175.52 177.36 1sjg n GLY 76 N 1.55 2.47 3.75 2.16 0.00 -0.67 -4.96 105.19 109.49 1sjg n GLY 76 Ca -0.09 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 1sjg n GLY 76 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1sjg s HIS 77 N -1.02 3.56 0.28 1.61 5.65 -1.26 -0.81 115.29 123.29 1sjg s HIS 77 Ca 0.00 0.88 -0.19 0.00 0.25 0.00 0.00 55.06 56.00 1sjg s HIS 77 Cb 0.00 -2.46 -0.09 0.00 -1.18 0.00 0.00 32.58 28.85 1sjg s HIS 77 CO 0.00 0.30 0.77 0.20 -0.65 0.00 0.00 174.74 175.35 1sjg s GLY 78 N 0.17 2.54 0.03 1.59 0.00 -1.26 -4.55 107.32 105.85 1sjg s GLY 78 Ca 0.24 0.19 -0.06 0.00 0.00 0.00 0.00 44.72 45.09 1sjg s GLY 78 CO 0.10 0.51 0.98 -2.22 0.00 0.00 0.00 173.10 172.47 1sjg h ILE 79 N 2.45 1.30 -0.85 0.90 5.03 -1.94 -3.37 117.51 121.03 1sjg h ILE 79 Ca -0.48 -2.88 0.14 0.00 -0.12 0.00 0.00 64.86 61.52 1sjg h ILE 79 Cb 1.19 2.88 -0.21 0.00 -3.03 0.00 0.00 36.82 37.64 1sjg h ILE 79 CO 0.65 0.85 -0.13 0.21 -0.68 0.00 0.00 178.15 179.05 1sjg s ASN 80 N -7.15 -1.08 0.69 1.72 2.47 -1.26 -4.58 114.94 105.75 1sjg s ASN 80 Ca -0.07 0.74 -0.04 0.00 0.42 0.00 0.00 52.86 53.90 1sjg s ASN 80 Cb 0.06 1.93 0.08 0.00 -1.45 0.00 0.00 41.25 41.87 1sjg s ASN 80 CO 0.88 -0.20 0.98 -2.16 -3.72 0.00 0.00 177.10 172.88 1sjg s PRO 81 N 2.88 2.05 0.01 0.43 0.05 -1.26 -4.57 135.00 134.59 1sjg s PRO 81 Ca 0.13 -0.55 0.23 0.00 0.05 0.00 0.00 61.00 60.85 1sjg s PRO 81 Cb -0.13 -2.25 0.10 0.00 0.05 0.00 0.00 34.50 32.27 1sjg s PRO 81 CO -0.18 -1.26 1.11 -0.25 0.05 0.00 0.00 177.00 176.47 1sjg n ASP 82 N -2.84 0.70 -1.49 6.66 8.00 -1.26 -3.99 116.55 122.34 1sjg n ASP 82 Ca 0.10 -0.51 0.10 0.00 0.71 0.00 0.00 54.79 55.19 1sjg n ASP 82 Cb 0.60 0.70 0.34 0.00 -0.02 0.00 0.00 41.12 42.74 1sjg n ASP 82 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1sjg n ASP 83 N -1.63 4.37 -0.49 -2.24 2.03 -1.26 -4.02 116.55 113.31 1sjg n ASP 83 Ca 0.04 -2.27 0.04 0.00 0.52 0.00 0.00 54.79 53.13 1sjg n ASP 83 Cb 0.36 -0.54 0.11 0.00 -0.72 0.00 0.00 41.12 40.34 1sjg n ASP 83 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sjg s LEU 86 N -4.73 2.95 -0.09 0.00 0.05 0.01 -4.28 118.68 112.58 1sjg s LEU 86 Ca 0.71 -1.24 -0.00 0.00 0.05 0.00 0.00 54.13 53.65 1sjg s LEU 86 Cb -0.29 -1.11 0.02 0.00 -2.05 0.00 0.00 46.19 42.77 1sjg s LEU 86 CO 0.54 -0.44 -0.07 0.00 -0.55 0.00 0.00 176.35 175.83 1sjg s ALA 87 N -2.65 1.15 -0.07 1.48 0.00 -1.26 -4.77 121.76 115.64 1sjg s ALA 87 Ca 0.37 -0.41 -0.29 0.00 0.00 0.00 0.00 51.96 51.62 1sjg s ALA 87 Cb 0.07 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 1sjg s ALA 87 CO 0.19 -0.32 0.96 -2.00 0.00 0.00 0.00 175.76 174.59 1sjg s GLU 88 N 1.54 4.46 -0.04 0.00 2.12 -1.26 -3.16 118.70 122.38 1sjg s GLU 88 Ca 0.01 1.33 -0.01 0.00 0.36 0.00 0.00 54.97 56.66 1sjg s GLU 88 Cb -0.13 -3.51 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 1sjg s GLU 88 CO -0.05 -0.19 0.06 0.71 -0.54 0.00 0.00 175.26 175.25 1sjg s TYR 89 N 1.55 3.27 0.11 5.30 1.51 0.53 -5.01 117.35 124.61 1sjg s TYR 89 Ca 0.48 0.22 -0.31 0.00 -1.01 0.00 0.00 57.07 56.45 1sjg s TYR 89 Cb -0.19 -1.76 -0.09 0.00 -0.11 0.00 0.00 41.96 39.81 1sjg s TYR 89 CO 0.21 0.54 1.56 -2.14 -1.11 0.00 0.00 175.55 174.61 1sjg s PRO 90 N -1.44 4.23 0.02 -1.71 0.02 -1.25 -4.25 135.00 130.62 1sjg s PRO 90 Ca 0.19 2.27 0.04 0.00 0.02 0.00 0.00 61.00 63.52 1sjg s PRO 90 Cb -0.12 -3.38 -0.02 0.00 0.02 0.00 0.00 34.50 31.01 1sjg s PRO 90 CO 0.10 -0.63 -0.11 0.54 -0.33 0.00 0.00 177.00 176.56 1sjg s VAL 91 N 1.83 0.90 -0.02 3.83 0.11 -1.26 0.10 120.40 125.88 1sjg s VAL 91 Ca 0.70 -0.76 0.04 0.00 -2.93 0.00 0.00 61.98 59.04 1sjg s VAL 91 Cb -0.40 -0.81 -0.01 0.00 -1.53 0.00 0.00 36.38 33.64 1sjg s VAL 91 CO 0.31 0.05 -0.15 -0.70 -3.33 0.00 0.00 175.10 171.28 1sjg s GLU 92 N -0.79 1.37 -0.18 1.54 2.56 0.65 -5.00 118.70 118.85 1sjg s GLU 92 Ca 0.01 -0.54 -0.04 0.00 0.00 0.00 0.00 54.97 54.40 1sjg s GLU 92 Cb -0.06 -1.27 -0.02 0.00 2.00 0.00 0.00 34.13 34.77 1sjg s GLU 92 CO 0.00 0.28 -0.02 0.54 -0.56 0.00 0.00 175.26 175.50 1sjg s VAL 93 N -0.17 3.82 0.08 3.70 0.11 -1.26 -1.29 120.40 125.39 1sjg s VAL 93 Ca 0.02 -0.37 0.10 0.00 -2.93 0.00 0.00 61.98 58.80 1sjg s VAL 93 Cb -0.08 -2.70 -0.03 0.00 -1.53 0.00 0.00 36.38 32.03 1sjg s VAL 93 CO 0.00 0.45 -0.26 -0.54 -3.33 0.00 0.00 175.10 171.43 1sjg s LYS 94 N 0.80 1.66 -0.78 1.54 3.01 0.64 -5.02 119.74 121.59 1sjg s LYS 94 Ca -0.01 -1.20 -0.30 0.00 -1.01 0.00 0.00 55.97 53.46 1sjg s LYS 94 Cb -0.14 -1.97 -0.16 0.00 -1.01 0.00 0.00 37.83 34.54 1sjg s LYS 94 CO 0.02 0.49 2.57 0.41 0.51 0.00 0.00 175.35 179.35 1sjg n GLY 95 N 1.37 -0.21 3.03 -3.33 0.00 -1.26 -1.22 105.19 103.57 1sjg n GLY 95 Ca -0.17 0.97 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1sjg n GLY 95 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sjg n ASP 96 N 12.31 0.00 -4.75 1.61 2.03 -1.26 -5.00 116.55 121.50 1sjg n ASP 96 Ca 0.55 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 55.50 1sjg n ASP 96 Cb 0.22 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.54 1sjg n ASP 96 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1sjg s ASP 97 N 0.16 6.27 -0.15 1.67 1.01 -0.36 0.82 116.67 126.08 1sjg s ASP 97 Ca 0.00 0.30 0.02 0.00 0.71 0.00 0.00 52.55 53.58 1sjg s ASP 97 Cb 0.00 -2.10 0.01 0.00 1.01 0.00 0.00 42.92 41.84 1sjg s ASP 97 CO 0.00 0.19 -0.21 -0.63 0.21 0.00 0.00 175.17 174.73 1sjg s ILE 98 N 0.21 2.04 0.03 0.77 1.01 -0.59 -0.26 121.20 124.42 1sjg s ILE 98 Ca 0.10 -0.95 0.05 0.00 0.00 0.00 0.00 60.65 59.85 1sjg s ILE 98 Cb -0.11 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 1sjg s ILE 98 CO -0.00 0.54 -0.10 -0.31 0.00 0.00 0.00 174.94 175.07 1sjg s TYR 99 N 1.00 2.77 0.03 3.97 1.51 -0.41 -1.35 117.35 124.87 1sjg s TYR 99 Ca -0.02 -0.12 0.04 0.00 -1.01 0.00 0.00 57.07 55.95 1sjg s TYR 99 Cb -0.15 -1.53 -0.02 0.00 -0.11 0.00 0.00 41.96 40.15 1sjg s TYR 99 CO -0.06 0.35 -0.12 0.08 -1.11 0.00 0.00 175.55 174.68 1sjg s VAL 100 N -1.02 0.95 -0.31 0.71 1.01 0.14 -0.25 120.40 121.63 1sjg s VAL 100 Ca 0.17 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 1sjg s VAL 100 Cb -0.11 -0.86 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 1sjg s VAL 100 CO 0.08 0.03 0.14 -0.55 0.00 0.00 0.00 175.10 174.80 1sjg s SER 101 N -0.92 5.48 -0.15 3.32 0.15 0.11 -0.63 113.70 121.06 1sjg s SER 101 Ca 0.01 -0.58 0.08 0.00 0.70 0.00 0.00 55.95 56.16 1sjg s SER 101 Cb -0.07 -1.98 -0.15 0.00 -1.71 0.00 0.00 66.02 62.11 1sjg s SER 101 CO 0.01 -0.20 -0.02 0.41 1.20 0.00 0.00 173.24 174.63 1sjg n THR 102 N 4.96 0.97 -2.29 6.45 -1.04 -1.23 -3.95 114.28 118.14 1sjg n THR 102 Ca -0.14 -0.51 -0.42 0.00 -2.04 0.00 0.00 64.05 60.94 1sjg n THR 102 Cb 0.49 -0.81 -0.02 0.00 -1.82 0.00 0.00 70.33 68.17 1sjg n THR 102 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1sjg s LYS 103 N -2.34 3.40 0.00 -2.82 2.47 -1.26 -2.24 119.74 116.95 1sjg s LYS 103 Ca -0.13 0.85 0.00 0.00 -1.56 0.00 0.00 55.97 55.13 1sjg s LYS 103 Cb 0.05 -4.10 0.00 0.00 -1.46 0.00 0.00 37.83 32.32 1sjg s LYS 103 CO 0.51 -1.79 0.00 0.41 0.16 0.00 0.00 175.35 174.64 1sjg n GLY 104 N 5.22 0.86 3.34 5.54 0.00 -1.26 -4.90 105.19 113.99 1sjg n GLY 104 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.57 2.21 -0.27 -0.61 -1.09 -0.95 -5.11 121.20 113.80 1sjg s ILE 105 Ca 0.00 -1.10 -0.11 0.00 -2.23 0.00 0.00 60.65 57.21 1sjg s ILE 105 Cb 0.00 -1.79 -0.05 0.00 -1.58 0.00 0.00 42.46 39.04 1sjg s ILE 105 CO 0.00 0.55 0.18 -0.76 -1.23 0.00 0.00 174.94 173.67 1sjg s LEU 106 N -0.73 3.99 0.24 2.97 1.02 -1.26 -5.02 118.68 119.89 1sjg s LEU 106 Ca 0.11 -0.01 -0.31 0.00 0.02 0.00 0.00 54.13 53.94 1sjg s LEU 106 Cb -0.10 -2.10 -0.12 0.00 0.02 0.00 0.00 46.19 43.88 1sjg s LEU 106 CO -0.00 -0.03 1.58 -0.81 0.02 0.00 0.00 176.35 177.11 1sjg n PRO 107 N 4.93 2.48 -2.45 1.29 -0.04 -1.26 -4.97 135.00 134.98 1sjg n PRO 107 Ca -0.14 0.89 -0.24 0.00 -0.04 0.00 0.00 63.50 63.96 1sjg n PRO 107 Cb 0.52 -2.66 0.11 0.00 -0.04 0.00 0.00 33.50 31.43 1sjg n PRO 107 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1sjg s ASN 108 N 0.67 4.29 -0.39 3.54 2.47 -1.26 -4.95 114.94 119.31 1sjg s ASN 108 Ca 0.70 -0.15 -0.27 0.00 0.42 0.00 0.00 52.86 53.56 1sjg s ASN 108 Cb -0.56 -0.25 -0.05 0.00 -1.45 0.00 0.00 41.25 38.93 1sjg s ASN 108 CO 0.43 -1.90 2.20 -0.54 -3.72 0.00 0.00 177.10 173.58 1sjg s LYS 109 N -5.23 2.66 0.00 0.43 1.02 -1.26 -3.22 119.74 114.14 1sjg s LYS 109 Ca 0.66 1.52 0.00 0.00 0.02 0.00 0.00 55.97 58.17 1sjg s LYS 109 Cb -0.06 -4.44 0.00 0.00 -0.52 0.00 0.00 37.83 32.81 1sjg s LYS 109 CO 0.45 -2.64 0.00 0.00 -0.92 0.00 0.00 175.35 172.24 1sjg n ALA 110 N 13.42 0.00 -3.74 5.17 0.00 -1.26 -3.12 120.51 130.98 1sjg n ALA 110 Ca 0.31 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.45 1sjg n ALA 110 Cb 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.89 2.06 0.00 0.00 5.65 -1.20 -4.20 115.29 116.72 1sjg s HIS 111 Ca 0.00 -2.33 0.00 0.00 0.25 0.00 0.00 55.06 52.98 1sjg s HIS 111 Cb 0.00 -1.94 0.00 0.00 -1.18 0.00 0.00 32.58 29.46 1sjg s HIS 111 CO 0.00 -0.81 0.00 0.43 -0.65 0.00 0.00 174.74 173.71