#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 0.00 -4.46 3.17 7.64 -1.25 -4.42 113.62 114.30 1sjg n SER 2 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1sjg n SER 2 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1sjg n SER 2 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1sjg s PHE 3 N 0.00 3.12 0.11 1.43 0.40 -1.26 -0.96 117.98 120.82 1sjg s PHE 3 Ca 0.00 -0.48 0.08 0.00 -0.60 0.00 0.00 56.93 55.93 1sjg s PHE 3 Cb 0.00 -3.24 -0.04 0.00 0.51 0.00 0.00 43.02 40.25 1sjg s PHE 3 CO 0.00 -0.87 -0.13 -1.21 0.70 0.00 0.00 175.22 173.72 1sjg s GLU 4 N 2.34 2.01 -0.11 0.44 2.02 -0.47 -4.80 118.70 120.11 1sjg s GLU 4 Ca 0.13 -1.09 -0.29 0.00 0.02 0.00 0.00 54.97 53.73 1sjg s GLU 4 Cb -0.19 -2.23 -0.05 0.00 0.10 0.00 0.00 34.13 31.77 1sjg s GLU 4 CO 0.13 0.49 1.69 0.21 0.02 0.00 0.00 175.26 177.80 1sjg s LYS 5 N -2.24 3.99 -0.11 1.61 2.36 -1.26 -1.98 119.74 122.10 1sjg s LYS 5 Ca 0.21 2.03 0.01 0.00 -2.55 0.00 0.00 55.97 55.67 1sjg s LYS 5 Cb -0.11 -4.04 -0.07 0.00 -1.05 0.00 0.00 37.83 32.56 1sjg s LYS 5 CO 0.13 -1.08 -0.10 1.51 1.55 0.00 0.00 175.35 177.36 1sjg n ILE 6 N 5.93 0.64 -4.07 5.43 0.13 -0.67 -4.99 119.36 121.76 1sjg n ILE 6 Ca 0.19 -0.25 -0.11 0.00 -1.10 0.00 0.00 62.75 61.47 1sjg n ILE 6 Cb 0.44 -0.89 -0.06 0.00 -0.84 0.00 0.00 39.64 38.28 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 -3.11 3.55 0.48 0.00 0.01 -1.26 -1.47 113.70 111.90 1sjg s SER 8 Ca 0.29 -0.76 0.28 0.00 1.31 0.00 0.00 55.95 57.07 1sjg s SER 8 Cb 0.01 -0.34 1.54 0.00 0.21 0.00 0.00 66.02 67.45 1sjg s SER 8 CO 0.13 0.14 1.85 0.25 0.41 0.00 0.00 173.24 176.02 1sjg h LEU 9 N 3.45 0.00 -0.46 2.44 5.85 -0.85 0.30 115.31 126.04 1sjg h LEU 9 Ca -0.48 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.20 1sjg h LEU 9 Cb 1.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1sjg h LEU 9 CO 0.46 0.00 -0.18 -0.78 -0.34 0.00 0.00 178.44 177.60 1sjg h ASP 10 N 0.00 0.00 0.47 1.25 1.82 -1.96 -3.23 116.42 114.78 1sjg h ASP 10 Ca 0.00 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.34 1sjg h ASP 10 Cb 0.21 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.21 1sjg h ASP 10 CO 0.00 0.18 -1.49 0.44 -1.61 0.00 0.00 179.24 176.76 1sjg h ASP 11 N 0.00 0.41 -3.45 2.28 5.19 -0.79 -3.44 116.42 116.61 1sjg h ASP 11 Ca -0.00 -0.54 -0.61 0.00 -0.62 0.00 0.00 57.03 55.26 1sjg h ASP 11 Cb 0.97 -0.13 -0.37 0.00 0.18 0.00 0.00 39.33 39.98 1sjg h ASP 11 CO 0.02 1.44 -0.80 -0.51 -3.12 0.00 0.00 179.24 176.27 1sjg s ILE 12 N -2.62 1.56 0.39 0.35 1.10 -1.12 -5.01 121.20 115.85 1sjg s ILE 12 Ca -0.08 -1.00 0.08 0.00 -0.51 0.00 0.00 60.65 59.13 1sjg s ILE 12 Cb 0.07 -1.68 -0.01 0.00 0.15 0.00 0.00 42.46 40.98 1sjg s ILE 12 CO 0.86 0.12 0.42 0.26 -2.11 0.00 0.00 174.94 174.49 1sjg s TRP 13 N 1.42 2.82 -0.02 3.50 0.52 -1.26 -4.62 118.94 121.30 1sjg s TRP 13 Ca -0.02 -0.40 -0.30 0.00 0.02 0.00 0.00 56.10 55.40 1sjg s TRP 13 Cb -0.17 -2.12 -0.05 0.00 -1.15 0.00 0.00 33.47 29.98 1sjg s TRP 13 CO -0.08 -0.12 1.51 0.08 0.02 0.00 0.00 176.95 178.36 1sjg s VAL 14 N -2.37 3.63 0.00 4.03 1.01 -1.26 -1.84 120.40 123.59 1sjg s VAL 14 Ca 0.48 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.38 1sjg s VAL 14 Cb -0.06 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1sjg s VAL 14 CO 0.29 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1sjg n GLY 15 N 3.85 0.46 3.87 4.51 0.00 0.15 -4.98 105.19 113.06 1sjg n GLY 15 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.85 3.10 -0.14 1.61 2.02 -0.77 -4.93 118.70 118.74 1sjg s GLU 16 Ca 0.00 -0.95 -0.14 0.00 0.02 0.00 0.00 54.97 53.89 1sjg s GLU 16 Cb 0.00 -2.68 0.04 0.00 0.10 0.00 0.00 34.13 31.59 1sjg s GLU 16 CO 0.00 0.41 0.41 0.00 0.02 0.00 0.00 175.26 176.10 1sjg s MET 17 N -3.88 0.50 0.05 1.61 0.23 -1.26 -1.10 119.30 115.45 1sjg s MET 17 Ca 0.33 0.51 -0.20 0.00 -1.03 0.00 0.00 55.69 55.30 1sjg s MET 17 Cb -0.08 0.24 0.04 0.00 -1.53 0.00 0.00 34.83 33.50 1sjg s MET 17 CO 0.26 -0.07 0.46 -2.00 -2.03 0.00 0.00 175.02 171.64 1sjg s GLU 18 N 0.08 0.98 -0.07 3.16 2.12 -0.38 -4.66 118.70 119.92 1sjg s GLU 18 Ca -0.01 -0.33 -0.19 0.00 0.36 0.00 0.00 54.97 54.80 1sjg s GLU 18 Cb -0.03 0.44 -0.05 0.00 0.26 0.00 0.00 34.13 34.76 1sjg s GLU 18 CO 0.01 -0.35 0.54 0.99 -0.54 0.00 0.00 175.26 175.91 1sjg s THR 19 N -2.54 5.08 0.12 -1.70 2.01 -1.26 -0.21 115.64 117.14 1sjg s THR 19 Ca -0.05 1.09 0.06 0.00 0.31 0.00 0.00 61.69 63.11 1sjg s THR 19 Cb -0.01 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1sjg s THR 19 CO -0.03 0.36 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.74 1sjg s PHE 20 N 0.32 1.49 -0.10 4.92 0.40 0.19 -4.94 117.98 120.25 1sjg s PHE 20 Ca 0.29 -0.51 -0.03 0.00 -0.60 0.00 0.00 56.93 56.08 1sjg s PHE 20 Cb -0.16 -0.78 -0.03 0.00 0.51 0.00 0.00 43.02 42.55 1sjg s PHE 20 CO 0.13 0.17 -0.00 -2.00 0.70 0.00 0.00 175.22 174.22 1sjg s GLU 21 N -2.46 3.18 0.77 0.44 2.12 -1.26 -1.05 118.70 120.43 1sjg s GLU 21 Ca 0.08 -0.42 -0.10 0.00 0.36 0.00 0.00 54.97 54.89 1sjg s GLU 21 Cb -0.06 -2.84 0.17 0.00 0.26 0.00 0.00 34.13 31.65 1sjg s GLU 21 CO 0.04 0.59 1.05 0.25 -0.54 0.00 0.00 175.26 176.64 1sjg n THR 22 N 2.50 0.00 0.14 -1.70 -2.24 0.39 -4.92 114.28 108.45 1sjg n THR 22 Ca -0.18 -1.00 -0.01 0.00 -2.27 0.00 0.00 64.05 60.59 1sjg n THR 22 Cb 0.53 -1.39 0.23 0.00 -2.10 0.00 0.00 70.33 67.60 1sjg n THR 22 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1sjg h SER 23 N -1.19 0.08 1.13 3.42 0.02 -1.94 -2.61 113.55 112.45 1sjg h SER 23 Ca -0.34 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1sjg h SER 23 Cb 1.02 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1sjg h SER 23 CO 0.27 0.57 -0.18 -0.67 -1.14 0.00 0.00 176.83 175.69 1sjg n ASP 24 N -3.94 0.54 0.00 3.07 2.03 -1.26 -4.89 116.55 112.10 1sjg n ASP 24 Ca -0.02 0.38 0.00 0.00 0.52 0.00 0.00 54.79 55.67 1sjg n ASP 24 Cb 0.53 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 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 1.39 1.10 3.67 0.27 0.00 -0.98 -5.07 105.19 105.55 1sjg n GLY 25 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 4.96 -0.21 2.61 2.01 -1.26 -4.80 115.64 116.95 1sjg s THR 26 Ca 0.00 1.38 -0.19 0.00 0.31 0.00 0.00 61.69 63.18 1sjg s THR 26 Cb 0.00 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 1sjg s THR 26 CO 0.00 0.08 0.57 -1.61 -0.69 0.00 0.00 174.62 172.97 1sjg s GLU 27 N 1.99 4.18 0.03 4.92 2.02 -1.26 -0.46 118.70 130.12 1sjg s GLU 27 Ca 0.33 0.50 0.03 0.00 0.02 0.00 0.00 54.97 55.85 1sjg s GLU 27 Cb -0.16 -3.59 -0.02 0.00 0.10 0.00 0.00 34.13 30.46 1sjg s GLU 27 CO 0.11 -0.23 -0.10 0.08 0.02 0.00 0.00 175.26 175.14 1sjg s VAL 28 N 1.90 0.79 -0.35 2.63 1.01 -0.22 -3.54 120.40 122.63 1sjg s VAL 28 Ca 0.26 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 1sjg s VAL 28 Cb -0.16 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 1sjg s VAL 28 CO 0.10 -0.10 0.41 -0.22 0.00 0.00 0.00 175.10 175.29 1sjg s LEU 29 N -1.08 4.45 -0.32 3.92 2.96 0.91 -0.64 118.68 128.87 1sjg s LEU 29 Ca -0.02 -0.21 -0.15 0.00 -0.22 0.00 0.00 54.13 53.53 1sjg s LEU 29 Cb -0.07 -2.41 -0.02 0.00 0.50 0.00 0.00 46.19 44.19 1sjg s LEU 29 CO 0.01 -0.40 0.37 -0.63 -1.32 0.00 0.00 176.35 174.38 1sjg s ILE 30 N 2.13 5.16 -0.15 6.68 1.09 0.70 -1.56 121.20 135.25 1sjg s ILE 30 Ca 0.14 0.23 -0.01 0.00 -1.10 0.00 0.00 60.65 59.90 1sjg s ILE 30 Cb -0.16 -3.79 -0.02 0.00 -1.06 0.00 0.00 42.46 37.43 1sjg s ILE 30 CO 0.12 -0.02 -0.10 -0.69 -0.10 0.00 0.00 174.94 174.15 1sjg s VAL 31 N 2.06 3.25 -0.36 2.92 1.01 0.92 -1.25 120.40 128.95 1sjg s VAL 31 Ca 0.13 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 1sjg s VAL 31 Cb -0.16 -2.39 0.06 0.00 0.00 0.00 0.00 36.38 33.89 1sjg s VAL 31 CO 0.11 0.51 0.13 0.21 0.00 0.00 0.00 175.10 176.06 1sjg s ASN 32 N 0.50 5.26 0.11 3.32 2.47 -0.26 0.24 114.94 126.58 1sjg s ASN 32 Ca -0.07 -1.41 -0.04 0.00 0.42 0.00 0.00 52.86 51.76 1sjg s ASN 32 Cb -0.15 -1.85 -0.05 0.00 -1.45 0.00 0.00 41.25 37.75 1sjg s ASN 32 CO 0.04 -0.39 0.33 -0.44 -3.72 0.00 0.00 177.10 172.92 1sjg s SER 33 N 1.58 6.47 -0.01 -4.21 0.01 0.12 0.34 113.70 117.99 1sjg s SER 33 Ca 0.00 0.52 -0.26 0.00 1.31 0.00 0.00 55.95 57.53 1sjg s SER 33 Cb -0.21 -2.06 -0.20 0.00 0.21 0.00 0.00 66.02 63.76 1sjg s SER 33 CO 0.00 0.10 1.29 -0.08 0.41 0.00 0.00 173.24 174.96 1sjg h GLU 34 N 3.00 -0.02 0.11 12.44 4.22 -1.90 -2.49 114.58 129.94 1sjg h GLU 34 Ca -0.46 0.00 -0.34 0.00 0.08 0.00 0.00 59.36 58.64 1sjg h GLU 34 Cb 1.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 1sjg h GLU 34 CO 0.73 0.43 -1.87 1.49 -2.18 0.00 0.00 179.01 177.61 1sjg h GLU 35 N -0.48 0.23 -0.10 1.92 4.81 -1.95 -3.37 114.58 115.64 1sjg h GLU 35 Ca -0.00 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1sjg h GLU 35 Cb 0.46 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1sjg h GLU 35 CO 0.00 1.08 0.00 0.72 -0.73 0.00 0.00 179.01 180.08 1sjg n HIS 36 N -3.41 0.10 -4.33 0.92 8.25 -1.26 -5.05 115.22 110.45 1sjg n HIS 36 Ca -0.27 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 1sjg n HIS 36 Cb 1.05 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.16 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 1.27 -0.85 3.65 -1.41 0.00 -0.94 -4.67 105.19 102.23 1sjg n GLY 37 Ca 0.17 -1.17 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 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 0.00 5.00 -0.04 1.61 1.01 -1.26 0.14 120.40 126.86 1sjg s VAL 38 Ca 0.00 1.18 0.06 0.00 0.00 0.00 0.00 61.98 63.22 1sjg s VAL 38 Cb 0.00 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 1sjg s VAL 38 CO 0.00 0.07 -0.22 -0.54 0.00 0.00 0.00 175.10 174.41 1sjg s LYS 39 N 2.17 2.16 -0.10 2.72 1.02 0.14 -4.65 119.74 123.19 1sjg s LYS 39 Ca 0.28 -0.80 0.02 0.00 0.02 0.00 0.00 55.97 55.49 1sjg s LYS 39 Cb -0.16 -1.90 0.01 0.00 -0.52 0.00 0.00 37.83 35.27 1sjg s LYS 39 CO 0.09 0.37 -0.17 0.00 -0.92 0.00 0.00 175.35 174.72 1sjg s ALA 40 N -0.20 1.76 0.12 5.17 0.00 -1.25 -0.06 121.76 127.30 1sjg s ALA 40 Ca -0.01 -0.75 -0.05 0.00 0.00 0.00 0.00 51.96 51.15 1sjg s ALA 40 Cb -0.12 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 1sjg s ALA 40 CO 0.02 0.05 0.14 1.52 0.00 0.00 0.00 175.76 177.49 1sjg s TYR 41 N 0.76 0.54 0.19 0.00 -0.85 -0.60 0.14 117.35 117.53 1sjg s TYR 41 Ca -0.11 -0.95 -0.31 0.00 -0.52 0.00 0.00 57.07 55.19 1sjg s TYR 41 Cb -0.16 -0.26 -0.16 0.00 0.38 0.00 0.00 41.96 41.76 1sjg s TYR 41 CO 0.02 -0.57 0.86 0.94 -1.52 0.00 0.00 175.55 175.27 1sjg n GLN 42 N -0.10 0.59 -0.08 -3.49 -0.06 0.25 -0.06 117.38 114.42 1sjg n GLN 42 Ca -0.09 0.21 -0.11 0.00 -2.00 0.00 0.00 57.00 55.01 1sjg n GLN 42 Cb 0.63 -1.48 -0.10 0.00 -4.06 0.00 0.00 30.24 25.24 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 0.60 1.62 -2.65 1.69 0.00 -1.23 -4.54 120.51 116.00 1sjg n ALA 43 Ca 0.16 -0.85 -0.41 0.00 0.00 0.00 0.00 53.44 52.33 1sjg n ALA 43 Cb 0.24 0.02 -0.05 0.00 0.00 0.00 0.00 19.45 19.67 1sjg n ALA 43 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1sjg s MET 44 N -2.36 4.21 -0.29 0.00 -1.94 -1.26 -4.39 119.30 113.26 1sjg s MET 44 Ca -0.18 0.84 -0.14 0.00 -1.71 0.00 0.00 55.69 54.50 1sjg s MET 44 Cb 0.06 -3.62 -0.03 0.00 2.01 0.00 0.00 34.83 33.25 1sjg s MET 44 CO 0.49 -0.40 0.33 0.00 -0.01 0.00 0.00 175.02 175.43 1sjg n PRO 46 N 5.28 2.00 0.10 0.00 -0.04 -1.26 -3.84 135.00 137.24 1sjg n PRO 46 Ca -0.10 -1.46 -0.10 0.00 -0.04 0.00 0.00 63.50 61.79 1sjg n PRO 46 Cb 0.51 -1.35 -0.07 0.00 -0.04 0.00 0.00 33.50 32.55 1sjg n PRO 46 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1sjg h HIS 47 N 2.35 -0.31 0.00 0.54 2.76 -1.94 -3.47 115.15 115.08 1sjg h HIS 47 Ca 0.00 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1sjg h HIS 47 Cb 0.58 0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.64 1sjg h HIS 47 CO 0.29 0.05 0.00 0.94 -1.30 0.00 0.00 177.93 177.90 1sjg n GLN 48 N -5.01 0.00 -4.34 5.26 7.27 -1.26 -5.16 117.38 114.14 1sjg n GLN 48 Ca -0.08 0.00 -0.20 0.00 0.07 0.00 0.00 57.00 56.79 1sjg n GLN 48 Cb 0.25 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 32.79 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 -1.61 1.32 0.00 3.69 2.56 -1.25 -5.04 118.70 118.37 1sjg s GLU 49 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 54.97 53.46 1sjg s GLU 49 Cb 0.00 -1.24 0.00 0.00 2.00 0.00 0.00 34.13 34.89 1sjg s GLU 49 CO 0.00 0.23 0.00 0.44 -0.56 0.00 0.00 175.26 175.37 1sjg n ILE 50 N -0.09 0.00 -2.01 -3.70 -5.35 -1.26 -4.02 119.36 102.93 1sjg n ILE 50 Ca -0.10 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.32 1sjg n ILE 50 Cb 0.59 -0.58 -0.00 0.00 -1.74 0.00 0.00 39.64 37.90 1sjg n ILE 50 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1sjg n LEU 51 N 0.00 -1.18 0.22 7.28 7.99 -1.26 -4.69 117.00 125.37 1sjg n LEU 51 Ca 0.00 0.01 0.10 0.00 -0.01 0.00 0.00 56.01 56.11 1sjg n LEU 51 Cb 0.00 -1.16 0.67 0.00 -0.11 0.00 0.00 43.42 42.81 1sjg n LEU 51 CO 0.00 -0.08 1.09 0.25 -1.51 0.00 0.00 177.39 177.14 1sjg h LEU 52 N 0.00 0.00 -1.68 2.23 5.85 -1.88 -0.79 115.31 119.03 1sjg h LEU 52 Ca -0.13 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 1sjg h LEU 52 Cb 1.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1sjg h LEU 52 CO 0.16 0.00 -0.18 0.77 -0.34 0.00 0.00 178.44 178.85 1sjg h SER 53 N 0.00 0.00 -0.34 1.25 4.64 -1.87 -0.18 113.55 117.05 1sjg h SER 53 Ca 0.04 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.30 1sjg h SER 53 Cb 0.17 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.23 1sjg h SER 53 CO -0.00 0.18 0.02 1.21 -0.87 0.00 0.00 176.83 177.37 1sjg n GLU 54 N -4.10 2.83 0.00 4.77 2.13 -0.34 -4.43 120.64 121.50 1sjg n GLU 54 Ca -0.02 -2.95 0.00 0.00 0.66 0.00 0.00 57.16 54.85 1sjg n GLU 54 Cb 0.26 -1.89 0.00 0.00 0.27 0.00 0.00 31.44 30.08 1sjg n GLU 54 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sjg n GLY 55 N -0.58 0.83 3.06 8.31 0.00 -0.08 -5.04 105.19 111.68 1sjg n GLY 55 Ca 0.26 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.17 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 0.71 -0.06 1.61 0.15 -1.23 -5.03 113.70 108.85 1sjg s SER 56 Ca 0.00 -0.63 0.02 0.00 0.70 0.00 0.00 55.95 56.04 1sjg s SER 56 Cb 0.00 0.07 0.02 0.00 -1.71 0.00 0.00 66.02 64.40 1sjg s SER 56 CO 0.00 -0.29 -0.10 -0.47 1.20 0.00 0.00 173.24 173.58 1sjg s TYR 57 N -1.87 1.32 0.40 3.44 5.04 -1.26 -0.70 117.35 123.72 1sjg s TYR 57 Ca -0.08 -0.49 0.07 0.00 -2.44 0.00 0.00 57.07 54.14 1sjg s TYR 57 Cb -0.07 -1.00 -0.06 0.00 0.35 0.00 0.00 41.96 41.18 1sjg s TYR 57 CO -0.01 -0.28 0.13 -1.21 -1.34 0.00 0.00 175.55 172.84 1sjg s GLU 58 N 0.78 2.15 0.29 4.97 2.02 0.14 -5.01 118.70 124.05 1sjg s GLU 58 Ca -0.13 -1.89 -0.00 0.00 0.02 0.00 0.00 54.97 52.97 1sjg s GLU 58 Cb -0.15 -1.90 0.67 0.00 0.10 0.00 0.00 34.13 32.85 1sjg s GLU 58 CO 0.02 -0.08 1.59 0.78 0.02 0.00 0.00 175.26 177.60 1sjg h GLY 59 N 1.54 1.16 -0.46 -1.39 0.00 -2.01 -3.08 103.07 98.84 1sjg h GLY 59 Ca -0.43 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1sjg h GLY 59 CO 0.72 -0.45 -0.23 0.61 0.00 0.00 0.00 176.54 177.20 1sjg n GLY 60 N -1.47 -0.90 3.19 4.60 0.00 -1.26 -4.85 105.19 104.50 1sjg n GLY 60 Ca 0.21 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.14 1.46 -0.05 1.61 1.01 -1.16 -4.25 120.40 118.88 1sjg s VAL 61 Ca 0.01 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.16 1sjg s VAL 61 Cb 0.01 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 1sjg s VAL 61 CO 0.00 0.36 -0.10 -0.63 0.00 0.00 0.00 175.10 174.73 1sjg s ILE 62 N -0.50 3.39 -0.31 2.22 -1.09 -1.26 -0.68 121.20 122.97 1sjg s ILE 62 Ca 0.07 -0.62 -0.12 0.00 -2.23 0.00 0.00 60.65 57.75 1sjg s ILE 62 Cb -0.07 -2.37 -0.03 0.00 -1.58 0.00 0.00 42.46 38.41 1sjg s ILE 62 CO -0.00 0.58 0.21 -0.89 -1.23 0.00 0.00 174.94 173.60 1sjg s THR 63 N -0.79 5.22 0.25 2.92 2.01 0.12 -1.06 115.64 124.32 1sjg s THR 63 Ca 0.12 -0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.77 1sjg s THR 63 Cb -0.11 -3.59 -0.10 0.00 0.01 0.00 0.00 72.50 68.71 1sjg s THR 63 CO 0.01 0.12 1.40 0.00 -0.69 0.00 0.00 174.62 175.46 1sjg n ARG 65 N 2.13 0.83 -1.18 0.00 3.00 -1.26 -0.51 116.66 119.67 1sjg n ARG 65 Ca 0.06 0.18 -0.06 0.00 -0.00 0.00 0.00 57.85 58.03 1sjg n ARG 65 Cb 0.41 -2.39 -0.03 0.00 0.00 0.00 0.00 32.46 30.45 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 10.68 -0.09 -3.78 5.13 0.00 -1.26 -4.72 120.51 126.48 1sjg n ALA 66 Ca 0.45 0.10 -0.30 0.00 0.00 0.00 0.00 53.44 53.69 1sjg n ALA 66 Cb 0.23 -1.32 -0.15 0.00 0.00 0.00 0.00 19.45 18.21 1sjg n ALA 66 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1sjg s HIS 67 N -1.78 2.10 0.01 0.00 2.46 0.33 -5.09 115.29 113.32 1sjg s HIS 67 Ca 0.00 -2.08 0.00 0.00 0.47 0.00 0.00 55.06 53.45 1sjg s HIS 67 Cb 0.00 -1.95 0.00 0.00 -0.13 0.00 0.00 32.58 30.50 1sjg s HIS 67 CO 0.00 -0.87 0.00 1.28 -2.47 0.00 0.00 174.74 172.68 1sjg n LEU 68 N 4.51 0.00 -0.04 8.88 7.99 -1.26 -3.63 117.00 133.44 1sjg n LEU 68 Ca 0.01 0.04 0.01 0.00 -0.01 0.00 0.00 56.01 56.06 1sjg n LEU 68 Cb 0.41 -0.11 0.01 0.00 -0.11 0.00 0.00 43.42 43.61 1sjg n LEU 68 CO 0.15 -1.16 0.40 -2.67 -1.51 0.00 0.00 177.39 172.60 1sjg n TRP 69 N -1.57 0.00 -5.22 -1.77 4.27 -1.26 -4.39 117.44 107.50 1sjg n TRP 69 Ca 0.00 -0.33 -0.32 0.00 -3.89 0.00 0.00 57.50 52.96 1sjg n TRP 69 Cb 0.02 -0.04 -0.17 0.00 -1.36 0.00 0.00 31.31 29.76 1sjg n TRP 69 CO 0.00 0.00 0.00 0.95 -2.29 0.00 0.00 177.69 176.35 1sjg s THR 70 N -0.74 2.05 0.05 -1.67 -4.23 -1.24 -4.50 115.64 105.36 1sjg s THR 70 Ca 0.03 -1.02 -0.01 0.00 -1.18 0.00 0.00 61.69 59.51 1sjg s THR 70 Cb 0.03 -1.77 -0.04 0.00 1.34 0.00 0.00 72.50 72.06 1sjg s THR 70 CO 0.00 0.56 -0.03 0.12 -0.54 0.00 0.00 174.62 174.73 1sjg s PHE 71 N 0.27 0.53 -0.40 3.99 2.19 -0.23 -3.79 117.98 120.54 1sjg s PHE 71 Ca -0.17 -1.03 -0.00 0.00 0.33 0.00 0.00 56.93 56.06 1sjg s PHE 71 Cb -0.17 -0.39 0.11 0.00 -1.31 0.00 0.00 43.02 41.26 1sjg s PHE 71 CO 0.08 -0.36 0.17 1.21 1.83 0.00 0.00 175.22 178.15 1sjg s ASN 72 N -2.84 5.05 0.10 6.13 2.47 -1.08 -4.04 114.94 120.73 1sjg s ASN 72 Ca 0.06 -2.16 -0.34 0.00 0.42 0.00 0.00 52.86 50.83 1sjg s ASN 72 Cb 0.07 -1.75 -0.15 0.00 -1.45 0.00 0.00 41.25 37.97 1sjg s ASN 72 CO -0.09 -0.47 1.55 -0.78 -3.72 0.00 0.00 177.10 173.59 1sjg h ASP 73 N 7.78 -1.57 -0.47 -4.21 1.82 -1.91 0.13 116.42 117.99 1sjg h ASP 73 Ca -0.09 0.16 -0.27 0.00 -0.39 0.00 0.00 57.03 56.44 1sjg h ASP 73 Cb 1.03 0.57 -0.14 0.00 0.68 0.00 0.00 39.33 41.46 1sjg h ASP 73 CO 0.64 -0.56 0.34 0.61 -1.61 0.00 0.00 179.24 178.65 1sjg n GLY 74 N -1.49 3.43 0.00 -0.78 0.00 -1.26 -3.96 105.19 101.14 1sjg n GLY 74 Ca -0.09 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.10 -5.07 114.28 109.57 1sjg n THR 75 Ca 0.29 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.30 1sjg n THR 75 Cb 0.93 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.44 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 -0.19 2.90 3.75 3.41 0.00 0.42 -5.01 105.19 110.48 1sjg n GLY 76 Ca 0.00 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.87 1sjg n GLY 76 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1sjg s HIS 77 N 0.00 3.75 0.00 1.61 -3.43 -1.26 -3.04 115.29 112.92 1sjg s HIS 77 Ca 0.00 1.46 0.00 0.00 -0.80 0.00 0.00 55.06 55.72 1sjg s HIS 77 Cb 0.00 -2.79 0.00 0.00 -1.43 0.00 0.00 32.58 28.36 1sjg s HIS 77 CO 0.00 0.31 0.00 0.41 -2.00 0.00 0.00 174.74 173.46 1sjg n GLY 78 N 2.30 0.00 0.44 -1.38 0.00 0.13 -4.30 105.19 102.38 1sjg n GLY 78 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 1.24 0.00 -0.61 -0.00 -1.25 -2.41 119.36 116.33 1sjg n ILE 79 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 62.75 62.80 1sjg n ILE 79 Cb 0.00 -1.95 0.00 0.00 -0.00 0.00 0.00 39.64 37.69 1sjg n ILE 79 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1sjg n ASN 80 N -4.00 0.00 -2.22 4.38 2.85 -1.26 -4.36 115.26 110.66 1sjg n ASN 80 Ca -0.19 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.25 1sjg n ASN 80 Cb 0.50 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.54 1sjg n ASN 80 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1sjg n PRO 81 N 0.00 -0.24 0.27 1.20 -0.02 -1.26 -4.81 135.00 130.14 1sjg n PRO 81 Ca 0.00 -0.18 0.18 0.00 -2.02 0.00 0.00 63.50 61.49 1sjg n PRO 81 Cb 0.00 -0.12 0.96 0.00 -0.02 0.00 0.00 33.50 34.32 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 -0.27 0.00 -0.30 2.55 5.19 -1.91 -2.05 116.42 119.62 1sjg h ASP 82 Ca -0.04 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.38 1sjg h ASP 82 Cb 0.10 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.60 1sjg h ASP 82 CO 0.03 0.00 0.20 -0.78 -3.12 0.00 0.00 179.24 175.57 1sjg h ASP 83 N 0.00 0.32 -3.48 6.45 3.58 -1.93 -3.25 116.42 118.11 1sjg h ASP 83 Ca 0.00 -0.01 -0.53 0.00 0.42 0.00 0.00 57.03 56.91 1sjg h ASP 83 Cb 0.05 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 1sjg h ASP 83 CO 0.00 0.23 0.29 0.00 -2.88 0.00 0.00 179.24 176.88 1sjg s LEU 86 N -3.14 0.16 0.19 0.00 1.43 -1.17 -4.59 118.68 111.56 1sjg s LEU 86 Ca 0.36 0.51 -0.32 0.00 -1.03 0.00 0.00 54.13 53.66 1sjg s LEU 86 Cb 0.06 0.65 -0.12 0.00 0.03 0.00 0.00 46.19 46.81 1sjg s LEU 86 CO 0.12 -0.20 1.75 0.00 0.23 0.00 0.00 176.35 178.25 1sjg s ALA 87 N 1.73 3.90 -0.15 4.21 0.00 -1.26 -4.58 121.76 125.61 1sjg s ALA 87 Ca -0.05 1.56 -0.13 0.00 0.00 0.00 0.00 51.96 53.34 1sjg s ALA 87 Cb -0.11 -3.71 -0.05 0.00 0.00 0.00 0.00 23.12 19.25 1sjg s ALA 87 CO -0.08 -0.99 0.29 -2.00 0.00 0.00 0.00 175.76 172.98 1sjg s GLU 88 N 1.51 4.19 -0.05 0.00 2.12 -1.26 -0.58 118.70 124.63 1sjg s GLU 88 Ca 0.76 0.10 0.05 0.00 0.36 0.00 0.00 54.97 56.23 1sjg s GLU 88 Cb -0.49 -3.40 -0.02 0.00 0.26 0.00 0.00 34.13 30.48 1sjg s GLU 88 CO 0.33 0.29 -0.18 0.71 -0.54 0.00 0.00 175.26 175.87 1sjg s TYR 89 N 0.30 2.60 0.30 5.30 2.02 0.12 -4.98 117.35 123.01 1sjg s TYR 89 Ca 0.17 -0.33 -0.30 0.00 -0.37 0.00 0.00 57.07 56.24 1sjg s TYR 89 Cb -0.13 -1.62 -0.11 0.00 -0.40 0.00 0.00 41.96 39.70 1sjg s TYR 89 CO 0.04 0.06 1.61 -2.30 -1.57 0.00 0.00 175.55 173.39 1sjg n PRO 90 N 2.52 2.75 -5.02 -1.71 -0.02 -1.26 -3.89 135.00 128.37 1sjg n PRO 90 Ca -0.17 0.98 -0.29 0.00 -2.02 0.00 0.00 63.50 61.99 1sjg n PRO 90 Cb 0.52 -2.77 -0.17 0.00 -0.02 0.00 0.00 33.50 31.06 1sjg n PRO 90 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1sjg s VAL 91 N 0.00 1.76 -0.31 -1.45 1.01 -1.26 -1.22 120.40 118.93 1sjg s VAL 91 Ca 0.64 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 1sjg s VAL 91 Cb -0.49 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.39 1sjg s VAL 91 CO 0.48 0.49 0.07 -1.61 0.00 0.00 0.00 175.10 174.54 1sjg s GLU 92 N 0.37 2.84 -0.35 2.72 0.41 0.15 -4.98 118.70 119.87 1sjg s GLU 92 Ca -0.16 -1.02 -0.03 0.00 -0.41 0.00 0.00 54.97 53.35 1sjg s GLU 92 Cb -0.17 -3.35 0.07 0.00 -1.78 0.00 0.00 34.13 28.90 1sjg s GLU 92 CO 0.07 -0.53 0.09 0.54 -0.49 0.00 0.00 175.26 174.93 1sjg s VAL 93 N 1.43 3.29 -0.14 2.63 0.11 -1.26 -0.48 120.40 125.97 1sjg s VAL 93 Ca 0.00 -1.54 -0.01 0.00 -2.93 0.00 0.00 61.98 57.51 1sjg s VAL 93 Cb -0.18 -3.00 0.03 0.00 -1.53 0.00 0.00 36.38 31.70 1sjg s VAL 93 CO 0.02 -0.31 -0.06 -1.59 -3.33 0.00 0.00 175.10 169.82 1sjg s LYS 94 N 1.26 1.42 7.03 1.54 0.00 0.23 -5.01 119.74 126.21 1sjg s LYS 94 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 55.97 55.59 1sjg s LYS 94 Cb -0.21 -1.79 0.00 0.00 0.00 0.00 0.00 37.83 35.83 1sjg s LYS 94 CO -0.01 -0.36 0.00 0.41 0.00 0.00 0.00 175.35 175.39 1sjg n GLY 95 N 4.92 2.76 0.00 0.59 0.00 -1.26 -0.68 105.19 111.52 1sjg n GLY 95 Ca -0.12 0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.19 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 10.30 0.75 -4.74 1.61 9.92 -1.26 -4.71 116.55 128.42 1sjg n ASP 96 Ca 0.00 -0.62 -0.36 0.00 -0.53 0.00 0.00 54.79 53.29 1sjg n ASP 96 Cb 0.00 0.73 -0.08 0.00 -0.64 0.00 0.00 41.12 41.13 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 -3.15 5.67 -0.19 -2.24 1.01 0.15 -0.21 116.67 117.71 1sjg s ASP 97 Ca 0.08 0.24 0.01 0.00 0.71 0.00 0.00 52.55 53.59 1sjg s ASP 97 Cb 0.16 -1.74 0.04 0.00 1.01 0.00 0.00 42.92 42.39 1sjg s ASP 97 CO 0.80 0.36 -0.10 -0.63 0.21 0.00 0.00 175.17 175.81 1sjg s ILE 98 N -0.77 1.59 0.01 0.77 1.01 -0.54 -0.60 121.20 122.66 1sjg s ILE 98 Ca 0.12 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.87 1sjg s ILE 98 Cb -0.12 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 1sjg s ILE 98 CO 0.03 0.20 -0.03 -0.31 0.00 0.00 0.00 174.94 174.82 1sjg s TYR 99 N 1.43 2.97 0.03 3.97 1.51 0.36 -1.66 117.35 125.95 1sjg s TYR 99 Ca -0.00 0.01 0.03 0.00 -1.01 0.00 0.00 57.07 56.09 1sjg s TYR 99 Cb -0.16 -1.62 -0.02 0.00 -0.11 0.00 0.00 41.96 40.05 1sjg s TYR 99 CO -0.08 0.42 -0.09 0.08 -1.11 0.00 0.00 175.55 174.77 1sjg s VAL 100 N -1.07 0.68 -0.38 0.71 1.01 -0.84 0.33 120.40 120.85 1sjg s VAL 100 Ca 0.19 -0.79 -0.23 0.00 0.00 0.00 0.00 61.98 61.15 1sjg s VAL 100 Cb -0.11 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.62 1sjg s VAL 100 CO 0.10 -0.11 0.77 -0.55 0.00 0.00 0.00 175.10 175.31 1sjg s SER 101 N -0.99 6.52 0.00 3.32 0.15 -0.36 -1.37 113.70 120.97 1sjg s SER 101 Ca -0.03 0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.88 1sjg s SER 101 Cb -0.07 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1sjg s SER 101 CO 0.00 -0.75 0.00 1.07 1.20 0.00 0.00 173.24 174.76 1sjg n THR 102 N 5.83 0.00 -4.67 6.45 5.66 -0.14 -4.40 114.28 123.02 1sjg n THR 102 Ca 0.03 -0.30 -0.30 0.00 -3.05 0.00 0.00 64.05 60.43 1sjg n THR 102 Cb 0.48 0.91 -0.17 0.00 -1.55 0.00 0.00 70.33 70.01 1sjg n THR 102 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1sjg s LYS 103 N -0.78 2.59 0.00 1.09 2.20 -1.16 -4.46 119.74 119.22 1sjg s LYS 103 Ca 0.00 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 54.91 1sjg s LYS 103 Cb 0.00 -2.10 0.00 0.00 -1.51 0.00 0.00 37.83 34.22 1sjg s LYS 103 CO 0.00 0.00 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 1sjg n GLY 104 N 4.01 3.02 3.37 5.54 0.00 -1.26 -3.77 105.19 116.10 1sjg n GLY 104 Ca -0.20 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.10 4.93 -0.05 -0.61 1.01 -1.26 -5.06 121.20 120.06 1sjg s ILE 105 Ca 0.00 -1.07 -0.24 0.00 0.00 0.00 0.00 60.65 59.33 1sjg s ILE 105 Cb 0.00 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1sjg s ILE 105 CO 0.00 -0.49 0.73 -0.22 0.00 0.00 0.00 174.94 174.96 1sjg s LEU 106 N 1.58 4.33 -0.03 2.97 0.20 -1.26 -4.80 118.68 121.68 1sjg s LEU 106 Ca 0.04 1.26 -0.40 0.00 0.69 0.00 0.00 54.13 55.72 1sjg s LEU 106 Cb -0.23 -3.14 -0.19 0.00 -0.43 0.00 0.00 46.19 42.20 1sjg s LEU 106 CO 0.06 -0.12 1.20 -2.65 -0.29 0.00 0.00 176.35 174.55 1sjg n PRO 107 N 3.70 0.29 -3.28 0.98 -0.01 -1.26 -4.90 135.00 130.51 1sjg n PRO 107 Ca -0.01 0.11 -0.41 0.00 -0.01 0.00 0.00 63.50 63.18 1sjg n PRO 107 Cb 0.51 -1.64 -0.08 0.00 -0.01 0.00 0.00 33.50 32.28 1sjg n PRO 107 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 175.50 176.03 1sjg s ASN 108 N 0.49 6.31 0.85 2.55 6.03 -1.26 -4.92 114.94 124.99 1sjg s ASN 108 Ca 0.91 0.09 0.00 0.00 -1.03 0.00 0.00 52.86 52.83 1sjg s ASN 108 Cb -1.21 -2.25 0.00 0.00 -3.03 0.00 0.00 41.25 34.75 1sjg s ASN 108 CO 0.57 -0.38 0.00 1.17 -2.03 0.00 0.00 177.10 176.43 1sjg n LYS 109 N 5.60 0.00 0.00 3.55 4.81 -1.26 -4.13 118.16 126.72 1sjg n LYS 109 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1sjg n LYS 109 Cb 0.49 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.54 1sjg n LYS 109 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1sjg n ALA 110 N 0.16 0.00 -1.15 3.14 0.00 -1.26 -4.84 120.51 116.56 1sjg n ALA 110 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1sjg n ALA 110 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1sjg n ALA 110 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1sjg n HIS 111 N -1.10 -1.50 0.88 0.00 -0.00 0.16 -4.83 115.22 108.82 1sjg n HIS 111 Ca 0.00 0.90 0.11 0.00 -0.00 0.00 0.00 57.72 58.73 1sjg n HIS 111 Cb 0.00 -2.54 0.09 0.00 -0.00 0.00 0.00 29.99 27.54 1sjg n HIS 111 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79