#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjg s SER 2 N 0.00 6.44 -0.10 6.12 0.15 -1.26 -3.89 113.70 121.15 1sjg s SER 2 Ca 0.00 0.91 -0.02 0.00 0.70 0.00 0.00 55.95 57.55 1sjg s SER 2 Cb 0.00 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 1sjg s SER 2 CO 0.00 -1.33 0.03 0.49 1.20 0.00 0.00 173.24 173.63 1sjg n PHE 3 N 8.47 -1.59 -4.34 3.44 3.72 -1.07 -4.94 117.46 121.14 1sjg n PHE 3 Ca 0.16 0.79 -0.35 0.00 -0.05 0.00 0.00 57.45 58.00 1sjg n PHE 3 Cb 0.48 -2.45 -0.10 0.00 -0.94 0.00 0.00 39.48 36.47 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 -0.71 3.13 -0.60 -1.08 2.56 0.62 -4.75 118.70 117.87 1sjg s GLU 4 Ca -0.04 -0.41 -0.27 0.00 0.00 0.00 0.00 54.97 54.25 1sjg s GLU 4 Cb 0.00 -2.84 0.03 0.00 2.00 0.00 0.00 34.13 33.32 1sjg s GLU 4 CO 0.30 0.63 1.17 0.21 -0.56 0.00 0.00 175.26 177.01 1sjg s LYS 5 N -0.67 3.44 -0.17 4.30 2.36 -1.26 -1.07 119.74 126.67 1sjg s LYS 5 Ca 0.11 0.10 -0.23 0.00 -2.55 0.00 0.00 55.97 53.39 1sjg s LYS 5 Cb -0.12 -4.05 -0.23 0.00 -1.05 0.00 0.00 37.83 32.39 1sjg s LYS 5 CO 0.02 -1.73 0.45 0.97 1.55 0.00 0.00 175.35 176.62 1sjg h ILE 6 N 6.12 1.23 -4.33 5.43 6.09 -1.71 -3.49 117.51 126.86 1sjg h ILE 6 Ca -0.26 -2.27 -0.31 0.00 -1.37 0.00 0.00 64.86 60.66 1sjg h ILE 6 Cb 1.06 2.69 -0.10 0.00 0.47 0.00 0.00 36.82 40.94 1sjg h ILE 6 CO 1.19 0.47 -0.29 0.00 -3.07 0.00 0.00 178.15 176.44 1sjg s SER 8 N -3.25 4.79 0.67 0.00 1.04 -1.26 -0.89 113.70 114.79 1sjg s SER 8 Ca 0.33 -0.34 0.44 0.00 0.48 0.00 0.00 55.95 56.87 1sjg s SER 8 Cb 0.01 -1.04 2.41 0.00 0.10 0.00 0.00 66.02 67.49 1sjg s SER 8 CO 0.21 0.12 2.36 0.25 0.98 0.00 0.00 173.24 177.17 1sjg h LEU 9 N 3.02 0.00 -0.68 2.42 5.85 -0.86 0.28 115.31 125.34 1sjg h LEU 9 Ca -0.47 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 1sjg h LEU 9 Cb 1.19 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 1sjg h LEU 9 CO 0.58 0.00 -0.07 -0.78 -0.34 0.00 0.00 178.44 177.83 1sjg h ASP 10 N 0.00 0.00 0.16 1.25 3.58 -1.94 -3.27 116.42 116.20 1sjg h ASP 10 Ca -0.00 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.10 1sjg h ASP 10 Cb 0.02 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.01 1sjg h ASP 10 CO 0.00 0.07 -2.16 -0.67 -2.88 0.00 0.00 179.24 173.60 1sjg n ASP 11 N -3.14 0.69 -3.99 2.28 2.03 0.90 -4.83 116.55 110.49 1sjg n ASP 11 Ca 0.02 0.13 -0.31 0.00 0.52 0.00 0.00 54.79 55.15 1sjg n ASP 11 Cb 0.45 0.34 -0.16 0.00 -0.72 0.00 0.00 41.12 41.04 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 -2.53 1.69 0.32 5.18 1.10 -0.59 -4.99 121.20 121.38 1sjg s ILE 12 Ca -0.13 -1.21 0.07 0.00 -0.51 0.00 0.00 60.65 58.88 1sjg s ILE 12 Cb 0.07 -1.85 -0.03 0.00 0.15 0.00 0.00 42.46 40.80 1sjg s ILE 12 CO 0.79 0.02 0.30 0.26 -2.11 0.00 0.00 174.94 174.21 1sjg s TRP 13 N 1.34 2.99 0.12 3.50 0.52 -1.26 -4.52 118.94 121.63 1sjg s TRP 13 Ca -0.05 -0.24 -0.31 0.00 0.02 0.00 0.00 56.10 55.52 1sjg s TRP 13 Cb -0.18 -1.74 -0.10 0.00 -1.15 0.00 0.00 33.47 30.30 1sjg s TRP 13 CO -0.07 0.23 1.83 0.54 0.02 0.00 0.00 176.95 179.50 1sjg s VAL 14 N -2.24 2.57 0.00 4.03 0.11 -1.26 -1.63 120.40 121.97 1sjg s VAL 14 Ca 0.40 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.51 1sjg s VAL 14 Cb -0.07 -3.04 0.00 0.00 -1.53 0.00 0.00 36.38 31.74 1sjg s VAL 14 CO 0.27 -0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.65 1sjg n GLY 15 N 4.24 0.58 3.83 6.54 0.00 0.79 -5.02 105.19 116.15 1sjg n GLY 15 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1sjg n GLY 15 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sjg s GLU 16 N -0.86 3.07 -0.15 1.61 2.56 -0.65 -4.94 118.70 119.35 1sjg s GLU 16 Ca 0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 54.97 54.16 1sjg s GLU 16 Cb 0.00 -2.79 0.04 0.00 2.00 0.00 0.00 34.13 33.38 1sjg s GLU 16 CO 0.00 0.54 0.39 0.00 -0.56 0.00 0.00 175.26 175.63 1sjg s MET 17 N -2.74 0.44 0.06 4.30 0.23 -1.26 -0.80 119.30 119.52 1sjg s MET 17 Ca 0.32 0.56 -0.24 0.00 -1.03 0.00 0.00 55.69 55.29 1sjg s MET 17 Cb -0.12 0.20 0.06 0.00 -1.53 0.00 0.00 34.83 33.44 1sjg s MET 17 CO 0.24 -0.06 0.57 -2.00 -2.03 0.00 0.00 175.02 171.74 1sjg s GLU 18 N 0.31 1.11 -0.05 3.16 2.12 -0.43 -4.79 118.70 120.13 1sjg s GLU 18 Ca -0.01 -0.20 -0.20 0.00 0.36 0.00 0.00 54.97 54.92 1sjg s GLU 18 Cb -0.03 0.51 -0.05 0.00 0.26 0.00 0.00 34.13 34.82 1sjg s GLU 18 CO -0.01 -0.41 0.59 -0.08 -0.54 0.00 0.00 175.26 174.81 1sjg s THR 19 N -2.55 5.02 0.13 -1.70 -1.32 -1.26 -0.39 115.64 113.58 1sjg s THR 19 Ca -0.05 1.21 0.09 0.00 -1.21 0.00 0.00 61.69 61.74 1sjg s THR 19 Cb -0.01 -3.92 -0.04 0.00 -1.51 0.00 0.00 72.50 67.02 1sjg s THR 19 CO -0.02 0.36 -0.22 -0.36 -2.21 0.00 0.00 174.62 172.16 1sjg s PHE 20 N 0.24 1.97 -0.15 9.09 0.40 0.79 -4.89 117.98 125.42 1sjg s PHE 20 Ca 0.31 -0.41 -0.07 0.00 -0.60 0.00 0.00 56.93 56.16 1sjg s PHE 20 Cb -0.17 -1.04 -0.04 0.00 0.51 0.00 0.00 43.02 42.28 1sjg s PHE 20 CO 0.16 0.30 0.08 -2.00 0.70 0.00 0.00 175.22 174.45 1sjg s GLU 21 N -2.24 3.72 0.92 0.44 2.12 -1.26 -0.26 118.70 122.15 1sjg s GLU 21 Ca 0.12 -0.29 -0.12 0.00 0.36 0.00 0.00 54.97 55.03 1sjg s GLU 21 Cb -0.09 -3.16 0.19 0.00 0.26 0.00 0.00 34.13 31.34 1sjg s GLU 21 CO 0.06 0.46 1.26 0.95 -0.54 0.00 0.00 175.26 177.44 1sjg s THR 22 N -0.14 2.02 0.19 -1.70 -4.23 0.52 -4.89 115.64 107.40 1sjg s THR 22 Ca 0.08 -0.15 0.31 0.00 -1.18 0.00 0.00 61.69 60.75 1sjg s THR 22 Cb -0.12 -2.87 0.35 0.00 1.34 0.00 0.00 72.50 71.20 1sjg s THR 22 CO 0.01 0.00 1.99 0.28 -0.54 0.00 0.00 174.62 176.36 1sjg h SER 23 N -1.42 0.00 1.27 3.99 0.02 -1.99 -1.68 113.55 113.75 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 0.36 0.07 -0.06 -0.67 -1.14 0.00 0.00 176.83 175.39 1sjg n ASP 24 N -3.23 0.58 0.00 3.07 2.03 -1.26 -4.89 116.55 112.85 1sjg n ASP 24 Ca -0.00 0.50 0.00 0.00 0.52 0.00 0.00 54.79 55.81 1sjg n ASP 24 Cb 0.31 -0.61 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 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 1.37 0.84 3.57 0.27 0.00 -0.63 -5.05 105.19 105.56 1sjg n GLY 25 Ca 0.06 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 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 5.00 -0.20 2.61 2.01 -1.26 -4.81 115.64 116.99 1sjg s THR 26 Ca 0.00 0.47 -0.20 0.00 0.31 0.00 0.00 61.69 62.27 1sjg s THR 26 Cb 0.00 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 1sjg s THR 26 CO 0.00 -0.19 0.59 -1.61 -0.69 0.00 0.00 174.62 172.72 1sjg s GLU 27 N 2.45 4.21 0.03 4.92 2.02 -1.26 -0.36 118.70 130.71 1sjg s GLU 27 Ca 0.20 0.55 0.04 0.00 0.02 0.00 0.00 54.97 55.79 1sjg s GLU 27 Cb -0.15 -3.57 -0.02 0.00 0.10 0.00 0.00 34.13 30.49 1sjg s GLU 27 CO 0.13 -0.21 -0.13 0.08 0.02 0.00 0.00 175.26 175.15 1sjg s VAL 28 N 1.81 1.03 -0.41 2.63 1.01 0.64 -3.85 120.40 123.26 1sjg s VAL 28 Ca 0.27 -0.88 -0.23 0.00 0.00 0.00 0.00 61.98 61.15 1sjg s VAL 28 Cb -0.16 -0.92 0.02 0.00 0.00 0.00 0.00 36.38 35.32 1sjg s VAL 28 CO 0.10 0.05 0.77 -0.22 0.00 0.00 0.00 175.10 175.80 1sjg s LEU 29 N -0.94 4.21 -0.28 3.92 2.96 0.21 -0.15 118.68 128.61 1sjg s LEU 29 Ca 0.02 0.06 -0.10 0.00 -0.22 0.00 0.00 54.13 53.89 1sjg s LEU 29 Cb -0.07 -2.97 -0.03 0.00 0.50 0.00 0.00 46.19 43.62 1sjg s LEU 29 CO 0.01 -0.83 0.14 -0.63 -1.32 0.00 0.00 176.35 173.72 1sjg s ILE 30 N 3.18 4.80 -0.14 6.68 1.01 0.48 -0.54 121.20 136.67 1sjg s ILE 30 Ca 0.30 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.86 1sjg s ILE 30 Cb -0.13 -3.33 0.01 0.00 0.01 0.00 0.00 42.46 39.03 1sjg s ILE 30 CO 0.20 0.22 -0.21 -0.69 0.00 0.00 0.00 174.94 174.46 1sjg s VAL 31 N 1.67 2.16 -0.49 2.92 1.01 0.72 -1.31 120.40 127.09 1sjg s VAL 31 Ca 0.06 -0.94 -0.20 0.00 0.00 0.00 0.00 61.98 60.89 1sjg s VAL 31 Cb -0.16 -1.87 0.04 0.00 0.00 0.00 0.00 36.38 34.39 1sjg s VAL 31 CO 0.07 0.54 0.68 0.21 0.00 0.00 0.00 175.10 176.60 1sjg s ASN 32 N 0.80 6.27 0.13 3.32 3.84 0.02 -0.70 114.94 128.62 1sjg s ASN 32 Ca -0.07 -0.65 0.01 0.00 0.21 0.00 0.00 52.86 52.36 1sjg s ASN 32 Cb -0.16 -2.32 -0.04 0.00 -0.55 0.00 0.00 41.25 38.19 1sjg s ASN 32 CO -0.01 -0.90 0.29 -0.44 -2.79 0.00 0.00 177.10 173.24 1sjg s SER 33 N 2.49 6.37 -0.09 -4.21 0.01 0.47 -0.15 113.70 118.58 1sjg s SER 33 Ca 0.20 0.28 -0.27 0.00 1.31 0.00 0.00 55.95 57.46 1sjg s SER 33 Cb -0.17 -1.96 -0.23 0.00 0.21 0.00 0.00 66.02 63.88 1sjg s SER 33 CO 0.15 0.07 0.97 -0.08 0.41 0.00 0.00 173.24 174.76 1sjg h GLU 34 N 2.45 -0.01 0.00 12.44 4.81 -1.96 -2.23 114.58 130.08 1sjg h GLU 34 Ca -0.47 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.69 1sjg h GLU 34 Cb 1.18 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1sjg h GLU 34 CO 0.71 0.75 -1.53 0.39 -0.73 0.00 0.00 179.01 178.60 1sjg n GLU 35 N -4.73 0.63 0.00 1.92 1.02 -1.26 -4.06 120.64 114.17 1sjg n GLU 35 Ca -0.09 0.03 0.11 0.00 -0.02 0.00 0.00 57.16 57.19 1sjg n GLU 35 Cb 0.37 -1.70 0.04 0.00 -0.02 0.00 0.00 31.44 30.13 1sjg n GLU 35 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1sjg n HIS 36 N -2.60 0.00 -4.10 -0.32 8.25 -1.26 -5.07 115.22 110.12 1sjg n HIS 36 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1sjg n HIS 36 Cb 0.68 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.78 1sjg n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sjg n GLY 37 N 1.41 -1.72 3.66 -1.41 0.00 -0.84 -4.65 105.19 101.64 1sjg n GLY 37 Ca 0.10 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.10 4.71 0.09 1.61 1.01 -1.26 -0.40 120.40 126.07 1sjg s VAL 38 Ca 0.00 1.98 0.06 0.00 0.00 0.00 0.00 61.98 64.02 1sjg s VAL 38 Cb 0.00 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1sjg s VAL 38 CO 0.00 -0.14 -0.16 -0.54 0.00 0.00 0.00 175.10 174.26 1sjg s LYS 39 N 3.00 0.93 -0.07 2.72 -0.14 0.12 -4.65 119.74 121.64 1sjg s LYS 39 Ca 0.44 -1.05 0.04 0.00 -1.36 0.00 0.00 55.97 54.03 1sjg s LYS 39 Cb -0.15 -0.98 0.00 0.00 -1.68 0.00 0.00 37.83 35.02 1sjg s LYS 39 CO 0.08 0.22 -0.18 0.00 -0.76 0.00 0.00 175.35 174.70 1sjg s ALA 40 N -1.38 1.67 0.19 5.17 0.00 -1.26 -0.20 121.76 125.96 1sjg s ALA 40 Ca 0.02 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.33 1sjg s ALA 40 Cb -0.09 -0.63 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 1sjg s ALA 40 CO 0.03 0.23 -0.07 0.71 0.00 0.00 0.00 175.76 176.66 1sjg s TYR 41 N 0.35 1.48 0.22 0.00 2.02 0.30 -0.50 117.35 121.23 1sjg s TYR 41 Ca -0.13 -0.78 -0.31 0.00 -0.37 0.00 0.00 57.07 55.49 1sjg s TYR 41 Cb -0.15 -0.79 -0.15 0.00 -0.40 0.00 0.00 41.96 40.47 1sjg s TYR 41 CO 0.05 0.10 1.16 0.94 -1.57 0.00 0.00 175.55 176.23 1sjg n GLN 42 N -0.33 1.40 -0.00 -0.62 -0.06 -0.50 -0.62 117.38 116.65 1sjg n GLN 42 Ca -0.08 0.50 0.01 0.00 -2.00 0.00 0.00 57.00 55.43 1sjg n GLN 42 Cb 0.62 -1.98 -0.01 0.00 -4.06 0.00 0.00 30.24 24.80 1sjg n GLN 42 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1sjg n ALA 43 N 1.16 2.24 -2.05 1.69 0.00 -1.25 -4.55 120.51 117.75 1sjg n ALA 43 Ca 0.13 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 53.08 1sjg n ALA 43 Cb 0.28 -0.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.63 1sjg n ALA 43 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1sjg s MET 44 N -1.34 3.30 -0.37 0.00 0.00 -1.26 -4.87 119.30 114.76 1sjg s MET 44 Ca 0.01 1.28 -0.07 0.00 0.00 0.00 0.00 55.69 56.90 1sjg s MET 44 Cb 0.02 -4.19 0.06 0.00 0.00 0.00 0.00 34.83 30.71 1sjg s MET 44 CO 0.09 -1.90 0.17 0.00 0.00 0.00 0.00 175.02 173.38 1sjg n PRO 46 N 4.84 3.78 -0.06 0.00 -0.04 -1.26 -4.11 135.00 138.15 1sjg n PRO 46 Ca -0.11 -2.56 -0.19 0.00 -0.04 0.00 0.00 63.50 60.61 1sjg n PRO 46 Cb 0.44 -1.96 -0.13 0.00 -0.04 0.00 0.00 33.50 31.80 1sjg n PRO 46 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1sjg n HIS 47 N 0.77 0.67 0.00 0.54 -0.00 -1.26 -4.96 115.22 110.98 1sjg n HIS 47 Ca 0.23 0.15 0.00 0.00 0.46 0.00 0.00 57.72 58.56 1sjg n HIS 47 Cb 0.91 -1.09 0.00 0.00 -0.12 0.00 0.00 29.99 29.68 1sjg n HIS 47 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 1sjg n GLN 48 N -3.33 0.00 -3.67 1.57 7.27 -1.26 -5.17 117.38 112.79 1sjg n GLN 48 Ca -0.37 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.59 1sjg n GLN 48 Cb 1.03 0.00 -0.09 0.00 2.41 0.00 0.00 30.24 33.59 1sjg n GLN 48 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1sjg s GLU 49 N 0.00 0.61 0.02 3.69 2.12 -1.26 -4.87 118.70 119.00 1sjg s GLU 49 Ca 0.00 0.91 -0.03 0.00 0.36 0.00 0.00 54.97 56.21 1sjg s GLU 49 Cb 0.00 0.19 -0.01 0.00 0.26 0.00 0.00 34.13 34.57 1sjg s GLU 49 CO 0.00 -0.12 -0.06 -0.89 -0.54 0.00 0.00 175.26 173.65 1sjg n ILE 50 N 3.58 0.87 -3.32 -3.70 2.08 -1.26 -5.00 119.36 112.61 1sjg n ILE 50 Ca -0.18 0.27 -0.05 0.00 0.56 0.00 0.00 62.75 63.35 1sjg n ILE 50 Cb 0.57 -1.57 -0.06 0.00 -0.75 0.00 0.00 39.64 37.82 1sjg n ILE 50 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1sjg s LEU 51 N -6.49 -0.87 0.45 1.39 1.43 -1.26 -5.05 118.68 108.28 1sjg s LEU 51 Ca -0.05 0.49 0.23 0.00 -1.03 0.00 0.00 54.13 53.77 1sjg s LEU 51 Cb 0.01 1.46 1.06 0.00 0.03 0.00 0.00 46.19 48.75 1sjg s LEU 51 CO 0.08 -0.28 1.90 0.17 0.23 0.00 0.00 176.35 178.45 1sjg h LEU 52 N 8.13 0.00 -2.52 1.79 -0.00 -1.89 -3.28 115.31 117.53 1sjg h LEU 52 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 1sjg h LEU 52 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 1sjg h LEU 52 CO 0.26 0.23 0.00 0.77 -0.00 0.00 0.00 178.44 179.70 1sjg h SER 53 N 0.00 0.00 0.69 0.17 4.64 -1.94 0.37 113.55 117.48 1sjg h SER 53 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sjg h SER 53 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1sjg h SER 53 CO 0.03 0.00 -0.22 -0.62 -0.87 0.00 0.00 176.83 175.15 1sjg n GLU 54 N -3.03 0.11 -3.43 4.77 4.71 -1.24 -4.37 120.64 118.17 1sjg n GLU 54 Ca -0.02 -0.04 -0.27 0.00 -0.01 0.00 0.00 57.16 56.82 1sjg n GLU 54 Cb 0.13 -1.50 -0.10 0.00 -1.01 0.00 0.00 31.44 28.95 1sjg n GLU 54 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1sjg s GLY 55 N -2.92 1.28 0.00 0.62 0.00 0.12 -4.90 107.32 101.52 1sjg s GLY 55 Ca 0.15 -2.49 0.00 0.00 0.00 0.00 0.00 44.72 42.38 1sjg s GLY 55 CO 0.59 2.05 0.00 1.44 0.00 0.00 0.00 173.10 177.18 1sjg n SER 56 N 2.90 0.00 -3.88 1.64 7.64 -1.24 -0.58 113.62 120.10 1sjg n SER 56 Ca 0.27 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.87 1sjg n SER 56 Cb 0.46 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.50 1sjg n SER 56 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1sjg s TYR 57 N -1.00 1.77 -0.26 1.43 5.04 -1.26 0.78 117.35 123.85 1sjg s TYR 57 Ca 0.00 -1.20 0.00 0.00 -2.44 0.00 0.00 57.07 53.43 1sjg s TYR 57 Cb 0.00 -1.34 0.04 0.00 0.35 0.00 0.00 41.96 41.02 1sjg s TYR 57 CO 0.00 -0.65 -0.07 -1.21 -1.34 0.00 0.00 175.55 172.28 1sjg s GLU 58 N 1.61 2.53 0.00 4.97 8.01 -0.61 -4.90 118.70 130.30 1sjg s GLU 58 Ca -0.01 -1.18 0.00 0.00 0.01 0.00 0.00 54.97 53.80 1sjg s GLU 58 Cb -0.16 -2.98 0.00 0.00 -4.31 0.00 0.00 34.13 26.67 1sjg s GLU 58 CO -0.07 -0.51 0.00 0.41 0.01 0.00 0.00 175.26 175.10 1sjg n GLY 59 N 4.57 1.45 0.17 -1.39 0.00 -1.26 -1.22 105.19 107.52 1sjg n GLY 59 Ca -0.15 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.94 3.51 -0.02 0.00 -1.26 -5.02 105.19 103.34 1sjg n GLY 60 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 3.17 -0.04 1.61 1.01 -0.36 -5.00 120.40 120.79 1sjg s VAL 61 Ca 0.00 -0.93 -0.20 0.00 0.00 0.00 0.00 61.98 60.86 1sjg s VAL 61 Cb 0.00 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 1sjg s VAL 61 CO 0.00 0.42 0.55 -0.63 0.00 0.00 0.00 175.10 175.44 1sjg s ILE 62 N -0.91 5.02 0.11 2.22 -1.09 -1.17 -1.57 121.20 123.80 1sjg s ILE 62 Ca 0.15 1.14 0.06 0.00 -2.23 0.00 0.00 60.65 59.77 1sjg s ILE 62 Cb -0.11 -3.89 -0.03 0.00 -1.58 0.00 0.00 42.46 36.85 1sjg s ILE 62 CO 0.05 0.39 -0.16 -0.89 -1.23 0.00 0.00 174.94 173.10 1sjg s THR 63 N 0.08 1.41 -0.54 2.92 2.01 0.23 0.42 115.64 122.17 1sjg s THR 63 Ca 0.29 -1.58 0.04 0.00 0.31 0.00 0.00 61.69 60.76 1sjg s THR 63 Cb -0.17 -1.44 0.13 0.00 0.01 0.00 0.00 72.50 71.04 1sjg s THR 63 CO 0.15 -0.27 0.29 0.00 -0.69 0.00 0.00 174.62 174.10 1sjg n ARG 65 N 3.00 -1.43 -2.44 0.00 3.00 0.26 -3.52 116.66 115.52 1sjg n ARG 65 Ca 0.07 0.89 -0.05 0.00 -0.00 0.00 0.00 57.85 58.75 1sjg n ARG 65 Cb 0.32 -5.22 -0.04 0.00 0.00 0.00 0.00 32.46 27.53 1sjg n ARG 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1sjg n ALA 66 N 0.37 -3.62 0.43 5.13 0.00 -1.26 -5.01 120.51 116.55 1sjg n ALA 66 Ca -0.16 2.14 0.06 0.00 0.00 0.00 0.00 53.44 55.48 1sjg n ALA 66 Cb 0.52 -4.18 -0.08 0.00 0.00 0.00 0.00 19.45 15.71 1sjg n ALA 66 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1sjg n HIS 67 N 1.49 0.00 0.00 0.00 1.44 -1.23 -4.98 115.22 111.94 1sjg n HIS 67 Ca -0.37 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.34 1sjg n HIS 67 Cb 0.57 -0.09 0.00 0.00 0.12 0.00 0.00 29.99 30.59 1sjg n HIS 67 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1sjg n LEU 68 N -1.51 0.00 0.00 2.39 -0.00 -1.26 -4.91 117.00 111.71 1sjg n LEU 68 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.02 1sjg n LEU 68 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.67 1sjg n LEU 68 CO 0.27 0.00 0.00 1.87 -0.00 0.00 0.00 177.39 179.53 1sjg n TRP 69 N 0.00 0.00 -3.69 1.96 -0.00 -0.58 -5.02 117.44 110.12 1sjg n TRP 69 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.50 57.30 1sjg n TRP 69 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 31.31 31.29 1sjg n TRP 69 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1sjg s THR 70 N -0.22 4.32 0.06 5.87 -4.23 -1.26 -4.79 115.64 115.40 1sjg s THR 70 Ca 0.00 -1.08 0.05 0.00 -1.18 0.00 0.00 61.69 59.48 1sjg s THR 70 Cb 0.00 -3.49 -0.04 0.00 1.34 0.00 0.00 72.50 70.31 1sjg s THR 70 CO 0.00 -0.22 -0.05 0.12 -0.54 0.00 0.00 174.62 173.94 1sjg s PHE 71 N -2.14 2.89 -0.34 3.99 2.19 0.17 -1.23 117.98 123.51 1sjg s PHE 71 Ca 0.41 -0.06 -0.05 0.00 0.33 0.00 0.00 56.93 57.56 1sjg s PHE 71 Cb -0.09 -1.53 0.06 0.00 -1.31 0.00 0.00 43.02 40.14 1sjg s PHE 71 CO 0.29 0.43 0.10 1.21 1.83 0.00 0.00 175.22 179.09 1sjg s ASN 72 N -1.99 5.19 0.19 6.13 3.84 -1.04 -3.06 114.94 124.20 1sjg s ASN 72 Ca 0.22 -1.35 0.09 0.00 0.21 0.00 0.00 52.86 52.03 1sjg s ASN 72 Cb -0.11 -1.82 0.04 0.00 -0.55 0.00 0.00 41.25 38.81 1sjg s ASN 72 CO 0.14 -0.35 1.43 -2.24 -2.79 0.00 0.00 177.10 173.28 1sjg h ASP 73 N 8.14 0.00 0.33 -4.21 2.03 -1.89 0.72 116.42 121.54 1sjg h ASP 73 Ca -0.21 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.00 1sjg h ASP 73 Cb 1.07 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.56 1sjg h ASP 73 CO 0.61 0.82 -0.41 1.23 -1.03 0.00 0.00 179.24 180.46 1sjg h GLY 74 N 2.54 0.11 0.00 7.15 0.00 -1.94 -3.22 103.07 107.71 1sjg h GLY 74 Ca -0.01 -0.10 -0.20 0.00 0.00 0.00 0.00 47.33 47.02 1sjg h GLY 74 CO 0.11 0.09 -1.18 2.41 0.00 0.00 0.00 176.54 177.97 1sjg n THR 75 N -4.04 1.51 0.00 4.70 -1.04 -1.21 -5.04 114.28 109.17 1sjg n THR 75 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1sjg n THR 75 Cb 0.46 -2.10 0.00 0.00 -1.82 0.00 0.00 70.33 66.86 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 1.46 3.82 3.90 3.41 0.00 0.24 -5.10 105.19 112.93 1sjg n GLY 76 Ca -0.28 -0.95 -0.28 0.00 0.00 0.00 0.00 46.02 44.51 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 3.54 0.74 1.61 3.76 -1.24 -2.31 115.29 121.38 1sjg s HIS 77 Ca 0.00 0.81 -0.13 0.00 -0.15 0.00 0.00 55.06 55.59 1sjg s HIS 77 Cb 0.00 -2.28 0.04 0.00 1.11 0.00 0.00 32.58 31.45 1sjg s HIS 77 CO 0.00 -0.19 1.12 0.20 -0.85 0.00 0.00 174.74 175.02 1sjg s GLY 78 N -3.89 1.95 -0.16 -2.22 0.00 -0.84 -2.51 107.32 99.65 1sjg s GLY 78 Ca 0.47 0.50 -0.23 0.00 0.00 0.00 0.00 44.72 45.46 1sjg s GLY 78 CO 0.41 0.86 0.43 -2.22 0.00 0.00 0.00 173.10 172.58 1sjg h ILE 79 N -0.65 1.19 -0.96 0.90 2.04 -1.44 -3.35 117.51 115.23 1sjg h ILE 79 Ca -0.45 -2.09 0.09 0.00 1.00 0.00 0.00 64.86 63.41 1sjg h ILE 79 Cb 1.25 2.44 -0.21 0.00 -0.74 0.00 0.00 36.82 39.56 1sjg h ILE 79 CO 0.51 0.40 -0.27 0.21 0.00 0.00 0.00 178.15 179.01 1sjg s ASN 80 N -6.39 -1.38 1.05 1.72 2.47 -1.05 -4.38 114.94 106.99 1sjg s ASN 80 Ca -0.21 0.75 -0.09 0.00 0.42 0.00 0.00 52.86 53.72 1sjg s ASN 80 Cb 0.01 2.11 0.13 0.00 -1.45 0.00 0.00 41.25 42.05 1sjg s ASN 80 CO 0.57 -0.26 0.61 -2.65 -3.72 0.00 0.00 177.10 171.65 1sjg n PRO 81 N 5.43 -1.27 -0.02 0.43 -0.02 -1.26 -1.52 135.00 136.76 1sjg n PRO 81 Ca -0.00 -0.95 -0.16 0.00 -2.02 0.00 0.00 63.50 60.36 1sjg n PRO 81 Cb 0.52 -0.74 -0.09 0.00 -0.02 0.00 0.00 33.50 33.17 1sjg n PRO 81 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1sjg h ASP 82 N -1.30 0.61 -5.09 2.55 5.19 -1.76 -3.39 116.42 113.23 1sjg h ASP 82 Ca -0.21 -0.66 -0.09 0.00 -0.62 0.00 0.00 57.03 55.45 1sjg h ASP 82 Cb 0.60 -0.18 -0.06 0.00 0.18 0.00 0.00 39.33 39.87 1sjg h ASP 82 CO 0.14 1.18 -0.13 -0.90 -3.12 0.00 0.00 179.24 176.41 1sjg n ASP 83 N -4.22 -1.06 -0.07 6.45 5.75 -1.26 -1.99 116.55 120.15 1sjg n ASP 83 Ca -0.08 0.22 0.00 0.00 -0.01 0.00 0.00 54.79 54.91 1sjg n ASP 83 Cb 0.62 -1.02 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 1sjg n ASP 83 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sjg n LEU 86 N -4.12 0.00 -3.89 0.00 -0.00 -0.98 -4.56 117.00 103.46 1sjg n LEU 86 Ca 0.09 -0.27 -0.27 0.00 -0.00 0.00 0.00 56.01 55.56 1sjg n LEU 86 Cb 0.59 -0.06 -0.17 0.00 -0.00 0.00 0.00 43.42 43.78 1sjg n LEU 86 CO 0.53 -0.54 -0.43 0.00 -0.00 0.00 0.00 177.39 176.95 1sjg s ALA 87 N -2.38 1.28 -0.11 1.47 0.00 -1.26 -4.85 121.76 115.91 1sjg s ALA 87 Ca 0.07 -0.54 -0.14 0.00 0.00 0.00 0.00 51.96 51.35 1sjg s ALA 87 Cb -0.00 -0.93 -0.05 0.00 0.00 0.00 0.00 23.12 22.14 1sjg s ALA 87 CO 0.05 -0.48 0.33 -2.00 0.00 0.00 0.00 175.76 173.66 1sjg s GLU 88 N 1.73 4.08 -0.01 0.00 2.12 -1.26 -1.41 118.70 123.95 1sjg s GLU 88 Ca 0.04 0.20 -0.01 0.00 0.36 0.00 0.00 54.97 55.56 1sjg s GLU 88 Cb -0.13 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 1sjg s GLU 88 CO -0.08 0.42 0.12 0.71 -0.54 0.00 0.00 175.26 175.89 1sjg s TYR 89 N -0.12 3.38 -0.14 5.30 1.51 0.34 -5.00 117.35 122.61 1sjg s TYR 89 Ca 0.20 0.26 -0.29 0.00 -1.01 0.00 0.00 57.07 56.22 1sjg s TYR 89 Cb -0.14 -1.77 -0.02 0.00 -0.11 0.00 0.00 41.96 39.92 1sjg s TYR 89 CO 0.07 0.59 1.32 -2.14 -1.11 0.00 0.00 175.55 174.28 1sjg s PRO 90 N -1.81 4.23 -0.01 -1.71 0.02 -1.26 -4.21 135.00 130.26 1sjg s PRO 90 Ca 0.24 1.74 0.08 0.00 0.02 0.00 0.00 61.00 63.09 1sjg s PRO 90 Cb -0.12 -3.79 -0.02 0.00 0.02 0.00 0.00 34.50 30.59 1sjg s PRO 90 CO 0.15 -0.72 -0.26 0.08 -0.33 0.00 0.00 177.00 175.93 1sjg s VAL 91 N 3.51 2.07 -0.03 3.83 1.01 -1.26 -0.67 120.40 128.86 1sjg s VAL 91 Ca 0.58 -1.17 0.05 0.00 0.00 0.00 0.00 61.98 61.43 1sjg s VAL 91 Cb -0.24 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 1sjg s VAL 91 CO 0.17 0.53 -0.18 -1.61 0.00 0.00 0.00 175.10 174.01 1sjg s GLU 92 N -0.75 1.69 -0.28 2.72 2.02 0.12 -4.98 118.70 119.23 1sjg s GLU 92 Ca 0.10 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.44 1sjg s GLU 92 Cb -0.10 -1.54 0.05 0.00 0.10 0.00 0.00 34.13 32.65 1sjg s GLU 92 CO -0.00 0.33 -0.05 0.08 0.02 0.00 0.00 175.26 175.64 1sjg s VAL 93 N -0.20 2.66 -0.34 2.63 1.01 -1.26 -0.29 120.40 124.61 1sjg s VAL 93 Ca 0.02 -1.48 0.02 0.00 0.00 0.00 0.00 61.98 60.53 1sjg s VAL 93 Cb -0.10 -2.54 0.10 0.00 0.00 0.00 0.00 36.38 33.85 1sjg s VAL 93 CO 0.01 -0.07 0.09 -1.59 0.00 0.00 0.00 175.10 173.53 1sjg s LYS 94 N 1.19 1.18 6.87 2.72 0.00 0.57 -5.00 119.74 127.28 1sjg s LYS 94 Ca -0.07 -1.59 0.00 0.00 0.00 0.00 0.00 55.97 54.31 1sjg s LYS 94 Cb -0.20 -2.68 0.00 0.00 0.00 0.00 0.00 37.83 34.95 1sjg s LYS 94 CO -0.03 -0.98 0.00 0.41 0.00 0.00 0.00 175.35 174.76 1sjg n GLY 95 N 4.41 2.29 0.00 0.59 0.00 -1.26 -1.79 105.19 109.43 1sjg n GLY 95 Ca 0.02 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.11 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 10.12 0.71 -4.62 1.61 9.92 -1.26 -4.70 116.55 128.32 1sjg n ASP 96 Ca 0.00 -0.56 -0.33 0.00 -0.53 0.00 0.00 54.79 53.37 1sjg n ASP 96 Cb 0.00 0.57 -0.10 0.00 -0.64 0.00 0.00 41.12 40.95 1sjg n ASP 96 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1sjg s ASP 97 N -3.01 4.81 -0.16 -2.24 1.01 -0.74 -0.26 116.67 116.08 1sjg s ASP 97 Ca 0.10 -0.06 0.01 0.00 0.71 0.00 0.00 52.55 53.30 1sjg s ASP 97 Cb 0.17 -1.20 0.02 0.00 1.01 0.00 0.00 42.92 42.92 1sjg s ASP 97 CO 0.77 0.31 -0.17 -0.63 0.21 0.00 0.00 175.17 175.66 1sjg s ILE 98 N -0.97 1.80 0.10 0.77 1.01 -0.07 -0.31 121.20 123.53 1sjg s ILE 98 Ca 0.16 -0.78 0.07 0.00 0.00 0.00 0.00 60.65 60.10 1sjg s ILE 98 Cb -0.11 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 1sjg s ILE 98 CO 0.07 0.50 -0.12 -0.31 0.00 0.00 0.00 174.94 175.08 1sjg s TYR 99 N 1.35 2.70 -0.01 3.97 1.51 0.61 -1.74 117.35 125.73 1sjg s TYR 99 Ca 0.04 -0.18 0.02 0.00 -1.01 0.00 0.00 57.07 55.94 1sjg s TYR 99 Cb -0.13 -1.43 0.00 0.00 -0.11 0.00 0.00 41.96 40.29 1sjg s TYR 99 CO -0.11 0.41 -0.05 0.54 -1.11 0.00 0.00 175.55 175.23 1sjg s VAL 100 N -1.18 0.46 -0.15 0.71 0.11 -0.23 0.16 120.40 120.29 1sjg s VAL 100 Ca 0.20 -0.21 -0.11 0.00 -2.93 0.00 0.00 61.98 58.93 1sjg s VAL 100 Cb -0.11 -0.41 -0.05 0.00 -1.53 0.00 0.00 36.38 34.28 1sjg s VAL 100 CO 0.12 0.14 0.22 -0.55 -3.33 0.00 0.00 175.10 171.71 1sjg s SER 101 N 0.07 6.39 -0.07 3.54 0.15 0.16 -0.27 113.70 123.66 1sjg s SER 101 Ca -0.00 0.46 0.11 0.00 0.70 0.00 0.00 55.95 57.21 1sjg s SER 101 Cb -0.05 -2.13 0.16 0.00 -1.71 0.00 0.00 66.02 62.29 1sjg s SER 101 CO -0.00 0.22 1.06 0.35 1.20 0.00 0.00 173.24 176.08 1sjg n THR 102 N 2.98 1.39 0.00 6.45 -2.24 -1.25 -4.25 114.28 117.35 1sjg n THR 102 Ca -0.15 -1.60 0.00 0.00 -2.27 0.00 0.00 64.05 60.03 1sjg n THR 102 Cb 0.53 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1sjg n THR 102 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1sjg n LYS 103 N -0.97 0.00 -0.88 -0.78 4.81 -1.26 -3.55 118.16 115.53 1sjg n LYS 103 Ca 0.09 0.22 0.05 0.00 -0.87 0.00 0.00 58.31 57.80 1sjg n LYS 103 Cb 0.51 -1.18 0.37 0.00 0.02 0.00 0.00 35.03 34.75 1sjg n LYS 103 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sjg n GLY 104 N -0.71 3.25 3.62 3.14 0.00 -1.26 -4.91 105.19 108.32 1sjg n GLY 104 Ca 0.00 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.83 5.13 -0.20 -0.61 -1.09 -1.23 -5.04 121.20 115.34 1sjg s ILE 105 Ca 0.54 0.73 -0.04 0.00 -2.23 0.00 0.00 60.65 59.64 1sjg s ILE 105 Cb 0.41 -3.76 -0.02 0.00 -1.58 0.00 0.00 42.46 37.52 1sjg s ILE 105 CO 0.15 0.14 -0.03 -0.22 -1.23 0.00 0.00 174.94 173.75 1sjg s LEU 106 N 2.03 3.10 0.30 2.97 2.96 -1.26 -4.93 118.68 123.85 1sjg s LEU 106 Ca 0.18 -0.27 -0.29 0.00 -0.22 0.00 0.00 54.13 53.53 1sjg s LEU 106 Cb -0.16 -1.78 -0.10 0.00 0.50 0.00 0.00 46.19 44.65 1sjg s LEU 106 CO 0.09 0.05 1.38 -2.84 -1.32 0.00 0.00 176.35 173.72 1sjg s PRO 107 N 1.05 4.29 0.92 0.98 0.02 -1.26 -4.97 135.00 136.03 1sjg s PRO 107 Ca 0.01 2.28 -0.15 0.00 0.02 0.00 0.00 61.00 63.17 1sjg s PRO 107 Cb -0.15 -3.08 0.17 0.00 0.02 0.00 0.00 34.50 31.46 1sjg s PRO 107 CO 0.01 -0.32 1.28 -0.80 -0.33 0.00 0.00 177.00 176.84 1sjg s ASN 108 N -0.07 3.50 0.33 2.53 0.01 -1.26 -4.96 114.94 115.02 1sjg s ASN 108 Ca 0.54 0.41 -0.29 0.00 -0.71 0.00 0.00 52.86 52.81 1sjg s ASN 108 Cb -0.41 -0.58 -0.12 0.00 0.41 0.00 0.00 41.25 40.55 1sjg s ASN 108 CO 0.50 -2.50 1.40 1.17 -1.51 0.00 0.00 177.10 176.15 1sjg n LYS 109 N -3.64 2.33 -2.14 -0.60 4.81 -1.26 -4.80 118.16 112.87 1sjg n LYS 109 Ca 0.13 0.82 -0.30 0.00 -0.87 0.00 0.00 58.31 58.10 1sjg n LYS 109 Cb 0.60 -2.48 -0.05 0.00 0.02 0.00 0.00 35.03 33.12 1sjg n LYS 109 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1sjg s ALA 110 N -0.80 1.96 0.00 3.14 0.00 -1.26 -4.69 121.76 120.10 1sjg s ALA 110 Ca 0.58 -2.06 0.00 0.00 0.00 0.00 0.00 51.96 50.48 1sjg s ALA 110 Cb -0.55 -4.63 0.00 0.00 0.00 0.00 0.00 23.12 17.94 1sjg s ALA 110 CO 0.59 -4.85 0.00 0.72 0.00 0.00 0.00 175.76 172.21 1sjg n HIS 111 N 13.43 0.00 -0.59 0.00 8.25 -1.26 -4.55 115.22 130.50 1sjg n HIS 111 Ca 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.89 1sjg n HIS 111 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 1sjg n HIS 111 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41