#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 0.55 -0.21 7.83 0.01 -1.26 -4.85 113.70 115.76 1sjg s SER 2 Ca 0.00 -0.06 -0.05 0.00 1.31 0.00 0.00 55.95 57.16 1sjg s SER 2 Cb 0.00 -0.27 0.01 0.00 0.21 0.00 0.00 66.02 65.96 1sjg s SER 2 CO 0.00 -0.08 0.18 0.49 0.41 0.00 0.00 173.24 174.24 1sjg n PHE 3 N 4.03 -2.15 -4.45 2.43 3.72 -1.22 -4.99 117.46 114.81 1sjg n PHE 3 Ca -0.26 0.91 -0.32 0.00 -0.05 0.00 0.00 57.45 57.73 1sjg n PHE 3 Cb 0.51 -2.97 -0.10 0.00 -0.94 0.00 0.00 39.48 35.97 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 -1.45 2.57 -0.21 -1.08 2.12 0.86 -4.69 118.70 116.82 1sjg s GLU 4 Ca 0.07 -0.71 -0.29 0.00 0.36 0.00 0.00 54.97 54.40 1sjg s GLU 4 Cb -0.02 -2.51 -0.00 0.00 0.26 0.00 0.00 34.13 31.85 1sjg s GLU 4 CO 0.45 0.61 1.18 0.21 -0.54 0.00 0.00 175.26 177.17 1sjg s LYS 5 N -1.40 4.20 -0.19 4.30 2.20 -1.26 0.07 119.74 127.65 1sjg s LYS 5 Ca 0.17 1.49 -0.10 0.00 -0.36 0.00 0.00 55.97 57.17 1sjg s LYS 5 Cb -0.11 -3.74 -0.20 0.00 -1.51 0.00 0.00 37.83 32.27 1sjg s LYS 5 CO 0.07 -0.74 0.10 1.51 -0.36 0.00 0.00 175.35 175.94 1sjg n ILE 6 N 5.47 1.62 -3.31 5.43 0.13 -0.96 -4.96 119.36 122.78 1sjg n ILE 6 Ca 0.13 -0.44 -0.03 0.00 -1.10 0.00 0.00 62.75 61.31 1sjg n ILE 6 Cb 0.46 -1.77 0.01 0.00 -0.84 0.00 0.00 39.64 37.49 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 -1.60 3.56 0.62 0.00 0.01 -1.26 -1.54 113.70 113.48 1sjg s SER 8 Ca 0.05 -0.77 0.38 0.00 1.31 0.00 0.00 55.95 56.92 1sjg s SER 8 Cb -0.01 -0.34 2.06 0.00 0.21 0.00 0.00 66.02 67.95 1sjg s SER 8 CO 0.04 0.14 2.28 0.25 0.41 0.00 0.00 173.24 176.35 1sjg h LEU 9 N 3.40 0.00 -0.05 2.44 6.46 -0.50 0.22 115.31 127.28 1sjg h LEU 9 Ca -0.48 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.28 1sjg h LEU 9 Cb 1.19 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 1sjg h LEU 9 CO 0.46 0.02 0.00 -0.90 -0.62 0.00 0.00 178.44 177.40 1sjg n ASP 10 N -3.36 0.19 -0.00 1.25 5.75 -1.26 -3.11 116.55 116.01 1sjg n ASP 10 Ca -0.03 0.53 -0.21 0.00 -0.01 0.00 0.00 54.79 55.07 1sjg n ASP 10 Cb 0.11 -0.57 -0.14 0.00 -1.03 0.00 0.00 41.12 39.49 1sjg n ASP 10 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1sjg h ASP 11 N 0.00 0.33 -3.76 -1.12 1.82 -0.92 -3.43 116.42 109.34 1sjg h ASP 11 Ca 0.00 -0.85 -0.68 0.00 -0.39 0.00 0.00 57.03 55.10 1sjg h ASP 11 Cb 0.48 -0.11 -0.33 0.00 0.68 0.00 0.00 39.33 40.06 1sjg h ASP 11 CO 0.00 1.51 -0.69 0.27 -1.61 0.00 0.00 179.24 178.71 1sjg s ILE 12 N -2.43 3.04 0.91 2.25 -4.36 -1.14 -5.05 121.20 114.42 1sjg s ILE 12 Ca -0.19 -1.38 -0.13 0.00 -0.26 0.00 0.00 60.65 58.69 1sjg s ILE 12 Cb 0.03 -2.75 0.14 0.00 1.25 0.00 0.00 42.46 41.13 1sjg s ILE 12 CO 0.75 -0.12 1.14 0.26 0.24 0.00 0.00 174.94 177.22 1sjg s TRP 13 N 1.26 2.46 -0.24 1.37 0.52 -1.25 -4.71 118.94 118.35 1sjg s TRP 13 Ca -0.05 0.82 -0.35 0.00 0.02 0.00 0.00 56.10 56.54 1sjg s TRP 13 Cb -0.20 -3.42 -0.12 0.00 -1.15 0.00 0.00 33.47 28.59 1sjg s TRP 13 CO -0.01 -2.38 2.01 1.55 0.02 0.00 0.00 176.95 178.14 1sjg n VAL 14 N -3.77 0.36 -0.34 4.03 3.14 -1.26 -0.45 118.33 120.03 1sjg n VAL 14 Ca 0.07 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 1sjg n VAL 14 Cb 0.59 -1.73 0.00 0.00 -1.06 0.00 0.00 33.84 31.64 1sjg n VAL 14 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1sjg n GLY 15 N 5.36 0.82 3.86 7.55 0.00 0.53 -4.97 105.19 118.35 1sjg n GLY 15 Ca 0.31 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.66 3.23 -0.12 1.61 2.56 0.40 -4.94 118.70 120.78 1sjg s GLU 16 Ca 0.00 -0.52 -0.14 0.00 0.00 0.00 0.00 54.97 54.31 1sjg s GLU 16 Cb 0.00 -2.93 0.03 0.00 2.00 0.00 0.00 34.13 33.24 1sjg s GLU 16 CO 0.00 0.60 0.37 0.00 -0.56 0.00 0.00 175.26 175.67 1sjg s MET 17 N -2.39 0.50 -0.12 4.30 0.23 -1.26 -1.10 119.30 119.45 1sjg s MET 17 Ca 0.32 0.38 -0.21 0.00 -1.03 0.00 0.00 55.69 55.15 1sjg s MET 17 Cb -0.13 0.24 0.05 0.00 -1.53 0.00 0.00 34.83 33.46 1sjg s MET 17 CO 0.25 -0.08 0.52 -1.83 -2.03 0.00 0.00 175.02 171.85 1sjg s GLU 18 N -0.12 0.75 0.21 3.16 -1.05 -0.38 -4.80 118.70 116.48 1sjg s GLU 18 Ca -0.03 0.41 -0.30 0.00 -0.15 0.00 0.00 54.97 54.90 1sjg s GLU 18 Cb -0.03 0.35 -0.08 0.00 -0.44 0.00 0.00 34.13 33.93 1sjg s GLU 18 CO 0.01 -0.16 0.95 0.99 0.95 0.00 0.00 175.26 178.00 1sjg s THR 19 N -0.45 4.16 0.20 1.83 2.01 -1.26 -0.50 115.64 121.63 1sjg s THR 19 Ca -0.06 2.08 0.05 0.00 0.31 0.00 0.00 61.69 64.08 1sjg s THR 19 Cb -0.03 -4.33 -0.05 0.00 0.01 0.00 0.00 72.50 68.10 1sjg s THR 19 CO 0.04 0.46 -0.07 0.72 -0.69 0.00 0.00 174.62 175.07 1sjg s PHE 20 N -0.93 1.54 -0.09 4.92 -0.71 0.11 -4.94 117.98 117.87 1sjg s PHE 20 Ca 0.42 -0.76 0.01 0.00 -1.04 0.00 0.00 56.93 55.56 1sjg s PHE 20 Cb -0.25 -0.81 -0.02 0.00 -1.21 0.00 0.00 43.02 40.72 1sjg s PHE 20 CO 0.32 0.13 -0.12 -2.00 -1.34 0.00 0.00 175.22 172.20 1sjg s GLU 21 N -3.76 3.00 0.72 1.99 2.12 -1.26 -0.19 118.70 121.32 1sjg s GLU 21 Ca 0.23 -0.66 -0.09 0.00 0.36 0.00 0.00 54.97 54.81 1sjg s GLU 21 Cb 0.03 -2.55 0.05 0.00 0.26 0.00 0.00 34.13 31.92 1sjg s GLU 21 CO 0.06 0.42 1.06 0.95 -0.54 0.00 0.00 175.26 177.21 1sjg s THR 22 N -0.19 2.56 -0.11 -1.70 -4.23 0.13 -4.90 115.64 107.20 1sjg s THR 22 Ca 0.01 -0.04 0.29 0.00 -1.18 0.00 0.00 61.69 60.77 1sjg s THR 22 Cb -0.13 -3.13 0.32 0.00 1.34 0.00 0.00 72.50 70.90 1sjg s THR 22 CO 0.03 -0.16 1.88 0.28 -0.54 0.00 0.00 174.62 176.11 1sjg h SER 23 N -0.68 0.00 1.25 3.99 0.02 -2.00 -0.58 113.55 115.56 1sjg h SER 23 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 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 0.63 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.79 1sjg n ASP 24 N -2.66 0.48 0.00 3.07 9.92 -1.26 -4.89 116.55 121.21 1sjg n ASP 24 Ca 0.01 0.55 0.00 0.00 -0.53 0.00 0.00 54.79 54.81 1sjg n ASP 24 Cb 0.22 -0.68 0.00 0.00 -0.64 0.00 0.00 41.12 40.03 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 1.32 0.82 3.75 0.44 0.00 -0.22 -5.07 105.19 106.22 1sjg n GLY 25 Ca 0.06 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 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 5.29 -0.20 2.61 2.01 -1.12 -4.80 115.64 117.44 1sjg s THR 26 Ca 0.00 0.56 -0.18 0.00 0.31 0.00 0.00 61.69 62.37 1sjg s THR 26 Cb 0.00 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 1sjg s THR 26 CO 0.00 0.42 0.51 -1.83 -0.69 0.00 0.00 174.62 173.02 1sjg s GLU 27 N 0.24 4.19 -0.03 4.92 -1.05 -1.26 0.17 118.70 125.88 1sjg s GLU 27 Ca 0.17 0.39 0.05 0.00 -0.15 0.00 0.00 54.97 55.43 1sjg s GLU 27 Cb -0.13 -3.56 -0.01 0.00 -0.44 0.00 0.00 34.13 29.99 1sjg s GLU 27 CO 0.05 -0.13 -0.18 0.08 0.95 0.00 0.00 175.26 176.03 1sjg s VAL 28 N 1.58 1.45 -0.39 1.83 1.01 0.74 -0.89 120.40 125.72 1sjg s VAL 28 Ca 0.24 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 61.30 1sjg s VAL 28 Cb -0.15 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.01 1sjg s VAL 28 CO 0.09 0.41 0.46 -0.22 0.00 0.00 0.00 175.10 175.85 1sjg s LEU 29 N -0.12 4.62 -0.31 3.92 0.20 0.11 0.04 118.68 127.13 1sjg s LEU 29 Ca -0.00 -0.40 -0.16 0.00 0.69 0.00 0.00 54.13 54.26 1sjg s LEU 29 Cb -0.10 -2.46 -0.02 0.00 -0.43 0.00 0.00 46.19 43.18 1sjg s LEU 29 CO 0.01 -0.53 0.40 -0.51 -0.29 0.00 0.00 176.35 175.43 1sjg s ILE 30 N 2.25 5.14 -0.17 6.68 1.10 0.35 -2.24 121.20 134.31 1sjg s ILE 30 Ca 0.15 0.33 -0.02 0.00 -0.51 0.00 0.00 60.65 60.60 1sjg s ILE 30 Cb -0.16 -3.80 -0.01 0.00 0.15 0.00 0.00 42.46 38.64 1sjg s ILE 30 CO 0.14 -0.01 -0.10 -0.69 -2.11 0.00 0.00 174.94 172.17 1sjg s VAL 31 N 2.12 3.13 -0.36 4.00 1.01 0.20 -1.24 120.40 129.25 1sjg s VAL 31 Ca 0.15 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 1sjg s VAL 31 Cb -0.16 -2.36 0.08 0.00 0.00 0.00 0.00 36.38 33.94 1sjg s VAL 31 CO 0.11 0.49 0.13 0.21 0.00 0.00 0.00 175.10 176.03 1sjg s ASN 32 N 0.87 5.15 0.22 3.32 2.47 -0.26 -0.19 114.94 126.52 1sjg s ASN 32 Ca -0.03 -1.66 0.05 0.00 0.42 0.00 0.00 52.86 51.64 1sjg s ASN 32 Cb -0.15 -1.80 -0.03 0.00 -1.45 0.00 0.00 41.25 37.82 1sjg s ASN 32 CO 0.00 -0.42 0.28 -0.94 -3.72 0.00 0.00 177.10 172.30 1sjg s SER 33 N 1.59 6.05 -0.09 -4.21 1.04 0.93 -0.34 113.70 118.67 1sjg s SER 33 Ca 0.03 -0.01 -0.26 0.00 0.48 0.00 0.00 55.95 56.18 1sjg s SER 33 Cb -0.21 -1.72 -0.22 0.00 0.10 0.00 0.00 66.02 63.97 1sjg s SER 33 CO -0.02 -0.03 0.94 -0.08 0.98 0.00 0.00 173.24 175.03 1sjg h GLU 34 N 1.55 -0.02 0.09 4.02 4.81 -1.94 -2.73 114.58 120.36 1sjg h GLU 34 Ca -0.50 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.61 1sjg h GLU 34 Cb 1.22 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.62 1sjg h GLU 34 CO 0.63 0.71 -0.52 0.93 -0.73 0.00 0.00 179.01 180.03 1sjg h GLU 35 N -0.80 0.20 0.00 1.92 5.08 -2.04 -3.29 114.58 115.65 1sjg h GLU 35 Ca -0.00 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1sjg h GLU 35 Cb 0.74 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1sjg h GLU 35 CO 0.00 1.15 -0.25 1.58 -1.00 0.00 0.00 179.01 180.49 1sjg n HIS 36 N -4.30 0.20 -3.26 4.33 -0.00 -1.26 -5.02 115.22 105.91 1sjg n HIS 36 Ca -0.12 0.06 0.00 0.00 0.46 0.00 0.00 57.72 58.12 1sjg n HIS 36 Cb 0.69 -0.50 0.00 0.00 -0.12 0.00 0.00 29.99 30.06 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 1.45 -1.26 3.62 1.57 0.00 -1.03 -4.76 105.19 104.78 1sjg n GLY 37 Ca 0.06 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.32 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 0.00 5.24 0.04 1.61 0.11 -1.26 -0.05 120.40 126.09 1sjg s VAL 38 Ca 0.00 0.14 0.05 0.00 -2.93 0.00 0.00 61.98 59.24 1sjg s VAL 38 Cb 0.00 -3.46 -0.02 0.00 -1.53 0.00 0.00 36.38 31.37 1sjg s VAL 38 CO 0.00 0.32 -0.16 -0.75 -3.33 0.00 0.00 175.10 171.18 1sjg s LYS 39 N 1.30 1.06 -0.20 1.54 2.47 0.74 -4.91 119.74 121.73 1sjg s LYS 39 Ca 0.07 -0.80 0.01 0.00 -1.56 0.00 0.00 55.97 53.69 1sjg s LYS 39 Cb -0.14 -1.10 0.05 0.00 -1.46 0.00 0.00 37.83 35.18 1sjg s LYS 39 CO 0.06 0.27 -0.10 0.00 0.16 0.00 0.00 175.35 175.75 1sjg s ALA 40 N -0.82 2.01 0.08 3.13 0.00 -1.26 -0.62 121.76 124.27 1sjg s ALA 40 Ca 0.03 -1.24 0.08 0.00 0.00 0.00 0.00 51.96 50.84 1sjg s ALA 40 Cb -0.08 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 1sjg s ALA 40 CO 0.01 -0.87 -0.18 0.71 0.00 0.00 0.00 175.76 175.43 1sjg s TYR 41 N 1.39 2.54 0.33 0.00 1.51 -0.95 -1.01 117.35 121.16 1sjg s TYR 41 Ca -0.02 -0.26 -0.29 0.00 -1.01 0.00 0.00 57.07 55.49 1sjg s TYR 41 Cb -0.17 -1.40 -0.10 0.00 -0.11 0.00 0.00 41.96 40.18 1sjg s TYR 41 CO -0.08 0.32 1.40 1.14 -1.11 0.00 0.00 175.55 177.23 1sjg s GLN 42 N -1.81 4.25 -0.02 -0.62 -2.07 -1.19 0.07 119.66 118.27 1sjg s GLN 42 Ca 0.16 2.36 -0.00 0.00 -1.82 0.00 0.00 55.36 56.06 1sjg s GLN 42 Cb -0.11 -3.05 -0.00 0.00 -1.09 0.00 0.00 33.01 28.77 1sjg s GLN 42 CO 0.08 -0.36 -0.00 0.00 -1.32 0.00 0.00 175.29 173.68 1sjg h ALA 43 N 3.69 0.00 -0.86 2.60 0.00 -1.31 -3.43 119.26 119.94 1sjg h ALA 43 Ca -0.49 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1sjg h ALA 43 Cb 1.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1sjg h ALA 43 CO 0.68 0.01 0.00 -1.33 0.00 0.00 0.00 179.25 178.61 1sjg n MET 44 N -2.47 0.00 -2.89 0.00 2.81 -1.26 -4.95 117.12 108.35 1sjg n MET 44 Ca -0.00 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.87 1sjg n MET 44 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.50 1sjg n MET 44 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1sjg n PRO 46 N 1.74 0.78 -3.98 0.00 -0.04 -1.26 -4.72 135.00 127.52 1sjg n PRO 46 Ca -0.13 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.19 1sjg n PRO 46 Cb 0.30 -1.11 -0.02 0.00 -0.04 0.00 0.00 33.50 32.63 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 1.31 -1.61 -1.48 0.54 8.25 -1.26 -5.15 115.22 115.82 1sjg n HIS 47 Ca 0.00 -2.31 0.00 0.00 -0.26 0.00 0.00 57.72 55.15 1sjg n HIS 47 Cb 0.39 0.62 0.00 0.00 1.12 0.00 0.00 29.99 32.12 1sjg n HIS 47 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sjg n GLN 48 N -0.58 -4.17 -3.55 -0.41 10.64 -1.26 -4.85 117.38 113.20 1sjg n GLN 48 Ca -0.01 3.14 -0.40 0.00 -1.83 0.00 0.00 57.00 57.90 1sjg n GLN 48 Cb 0.60 -3.61 -0.05 0.00 -0.86 0.00 0.00 30.24 26.31 1sjg n GLN 48 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 1sjg s GLU 49 N -4.22 3.29 0.00 2.61 -6.30 -1.26 -4.92 118.70 107.89 1sjg s GLU 49 Ca 0.00 -2.88 0.00 0.00 -2.50 0.00 0.00 54.97 49.59 1sjg s GLU 49 Cb 0.00 -4.09 0.00 0.00 0.00 0.00 0.00 34.13 30.04 1sjg s GLU 49 CO 0.00 -1.24 0.00 1.51 0.02 0.00 0.00 175.26 175.55 1sjg n ILE 50 N 3.07 0.00 -2.77 -3.70 0.13 -1.26 -5.15 119.36 109.69 1sjg n ILE 50 Ca 0.16 0.00 -0.40 0.00 -1.10 0.00 0.00 62.75 61.41 1sjg n ILE 50 Cb 0.40 0.00 -0.05 0.00 -0.84 0.00 0.00 39.64 39.14 1sjg n ILE 50 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 1sjg s LEU 51 N 0.00 4.59 0.33 9.51 2.01 -1.26 -4.94 118.68 128.92 1sjg s LEU 51 Ca 0.00 1.86 0.07 0.00 0.01 0.00 0.00 54.13 56.07 1sjg s LEU 51 Cb 0.00 -3.57 0.57 0.00 0.01 0.00 0.00 46.19 43.21 1sjg s LEU 51 CO 0.00 0.08 1.78 0.25 1.01 0.00 0.00 176.35 179.48 1sjg h LEU 52 N 4.68 0.26 -0.98 1.79 6.46 -1.91 -2.52 115.31 123.08 1sjg h LEU 52 Ca -0.44 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.23 1sjg h LEU 52 Cb 1.20 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.06 1sjg h LEU 52 CO 0.69 0.55 0.00 -1.54 -0.62 0.00 0.00 178.44 177.52 1sjg n SER 53 N -4.13 0.51 -1.50 1.25 3.41 -1.26 -0.35 113.62 111.55 1sjg n SER 53 Ca -0.01 0.69 0.10 0.00 -0.26 0.00 0.00 58.87 59.39 1sjg n SER 53 Cb 0.39 -0.78 0.35 0.00 -0.26 0.00 0.00 64.21 63.91 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 -2.14 3.42 0.00 4.33 2.13 -0.95 -4.66 120.64 122.77 1sjg n GLU 54 Ca 0.00 -2.82 0.00 0.00 0.66 0.00 0.00 57.16 55.00 1sjg n GLU 54 Cb 0.10 -1.79 0.00 0.00 0.27 0.00 0.00 31.44 30.02 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 1.27 1.50 3.43 8.31 0.00 0.53 -5.01 105.19 115.22 1sjg n GLY 55 Ca 0.25 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.12 1sjg n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sjg s SER 56 N -1.00 -0.51 -0.17 1.61 1.04 -1.09 -4.94 113.70 108.64 1sjg s SER 56 Ca 0.00 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.11 1sjg s SER 56 Cb 0.00 0.67 0.04 0.00 0.10 0.00 0.00 66.02 66.83 1sjg s SER 56 CO 0.00 -0.43 -0.10 -0.47 0.98 0.00 0.00 173.24 173.22 1sjg s TYR 57 N -0.75 2.12 0.43 5.02 5.04 -1.26 -1.29 117.35 126.65 1sjg s TYR 57 Ca -0.08 -1.31 0.07 0.00 -2.44 0.00 0.00 57.07 53.31 1sjg s TYR 57 Cb -0.03 -1.52 0.01 0.00 0.35 0.00 0.00 41.96 40.77 1sjg s TYR 57 CO 0.05 -0.68 0.59 -1.21 -1.34 0.00 0.00 175.55 172.97 1sjg s GLU 58 N 1.50 2.79 -0.62 4.97 8.01 0.10 -4.97 118.70 130.49 1sjg s GLU 58 Ca 0.01 -1.20 -0.19 0.00 0.01 0.00 0.00 54.97 53.60 1sjg s GLU 58 Cb -0.15 -2.73 -0.16 0.00 -4.31 0.00 0.00 34.13 26.78 1sjg s GLU 58 CO -0.09 -0.32 1.84 0.41 0.01 0.00 0.00 175.26 177.11 1sjg n GLY 59 N -1.90 2.28 0.00 -1.39 0.00 -1.26 -2.47 105.19 100.45 1sjg n GLY 59 Ca 0.08 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 4.42 0.94 3.19 -0.02 0.00 -1.26 -5.06 105.19 107.41 1sjg n GLY 60 Ca 0.45 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.00 1.64 -0.10 1.61 1.01 -1.03 0.06 120.40 121.58 1sjg s VAL 61 Ca 0.00 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.17 1sjg s VAL 61 Cb 0.00 -1.39 -0.00 0.00 0.00 0.00 0.00 36.38 34.99 1sjg s VAL 61 CO 0.00 0.46 -0.23 -0.63 0.00 0.00 0.00 175.10 174.70 1sjg s ILE 62 N -0.16 2.13 -0.20 2.22 1.01 0.13 0.03 121.20 126.36 1sjg s ILE 62 Ca -0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 60.65 59.61 1sjg s ILE 62 Cb -0.11 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.53 1sjg s ILE 62 CO 0.02 0.56 -0.03 -0.89 0.00 0.00 0.00 174.94 174.59 1sjg s THR 63 N 0.34 3.62 0.51 2.92 2.01 -0.41 -0.14 115.64 124.49 1sjg s THR 63 Ca -0.18 -0.42 0.19 0.00 0.31 0.00 0.00 61.69 61.58 1sjg s THR 63 Cb -0.18 -2.63 0.32 0.00 0.01 0.00 0.00 72.50 70.02 1sjg s THR 63 CO 0.09 0.44 2.07 0.00 -0.69 0.00 0.00 174.62 176.53 1sjg n ARG 65 N -4.47 0.00 0.00 0.00 0.63 -1.26 -4.32 116.66 107.24 1sjg n ARG 65 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 1sjg n ARG 65 Cb 0.30 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.21 1sjg n ARG 65 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1sjg n ALA 66 N 0.00 0.77 -0.64 5.13 0.00 -1.26 -4.78 120.51 119.73 1sjg n ALA 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1sjg n ALA 66 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1sjg n ALA 66 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1sjg n HIS 67 N -0.26 0.00 0.07 0.00 -0.00 -1.26 -4.30 115.22 109.47 1sjg n HIS 67 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1sjg n HIS 67 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1sjg n HIS 67 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 1sjg n LEU 68 N 0.00 -1.22 0.00 0.27 7.94 -1.26 -5.16 117.00 117.57 1sjg n LEU 68 Ca 0.00 0.59 -0.13 0.00 -1.11 0.00 0.00 56.01 55.36 1sjg n LEU 68 Cb 0.00 1.47 0.05 0.00 0.53 0.00 0.00 43.42 45.47 1sjg n LEU 68 CO 0.00 0.09 0.26 0.79 -1.11 0.00 0.00 177.39 177.42 1sjg n TRP 69 N -3.06 -2.59 -4.25 1.96 8.01 -1.26 -5.09 117.44 111.16 1sjg n TRP 69 Ca 0.00 -1.39 -0.14 0.00 -1.31 0.00 0.00 57.50 54.66 1sjg n TRP 69 Cb 0.00 -0.38 -0.10 0.00 -2.01 0.00 0.00 31.31 28.82 1sjg n TRP 69 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 1sjg s THR 70 N -1.48 0.63 0.03 -0.99 -4.23 -1.26 -4.66 115.64 103.68 1sjg s THR 70 Ca 0.41 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 1sjg s THR 70 Cb -0.03 -2.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.57 1sjg s THR 70 CO 0.26 -0.40 0.12 0.12 -0.54 0.00 0.00 174.62 174.18 1sjg s PHE 71 N -3.69 3.34 -0.14 3.99 5.36 0.80 -1.38 117.98 126.26 1sjg s PHE 71 Ca 0.26 0.20 0.02 0.00 -0.96 0.00 0.00 56.93 56.45 1sjg s PHE 71 Cb 0.06 -1.72 0.00 0.00 -0.34 0.00 0.00 43.02 41.03 1sjg s PHE 71 CO 0.05 0.56 -0.19 1.21 -1.46 0.00 0.00 175.22 175.40 1sjg s ASN 72 N -2.11 3.37 0.10 6.13 3.84 -1.26 0.17 114.94 125.19 1sjg s ASN 72 Ca 0.28 -0.53 -0.30 0.00 0.21 0.00 0.00 52.86 52.51 1sjg s ASN 72 Cb -0.12 -1.50 -0.11 0.00 -0.55 0.00 0.00 41.25 38.97 1sjg s ASN 72 CO 0.20 0.10 1.61 -0.78 -2.79 0.00 0.00 177.10 175.43 1sjg h ASP 73 N 7.20 -1.04 -0.25 -4.21 1.82 -0.73 -2.80 116.42 116.42 1sjg h ASP 73 Ca -0.30 0.10 -0.26 0.00 -0.39 0.00 0.00 57.03 56.18 1sjg h ASP 73 Cb 1.20 0.37 -0.09 0.00 0.68 0.00 0.00 39.33 41.49 1sjg h ASP 73 CO 0.55 -0.48 -0.20 0.61 -1.61 0.00 0.00 179.24 178.11 1sjg n GLY 74 N -1.46 3.32 0.97 -0.78 0.00 -1.26 -2.96 105.19 103.02 1sjg n GLY 74 Ca -0.08 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 2.12 0.00 0.00 2.61 -1.04 -1.16 -5.03 114.28 111.78 1sjg n THR 75 Ca 0.44 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.45 1sjg n THR 75 Cb 0.83 -0.09 0.00 0.00 -1.82 0.00 0.00 70.33 69.26 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 -0.44 2.33 3.85 3.41 0.00 -1.07 -4.97 105.19 108.30 1sjg n GLY 76 Ca 0.00 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.86 3.56 -0.10 1.61 5.65 -1.26 -0.27 115.29 123.61 1sjg s HIS 77 Ca 0.00 1.02 -0.05 0.00 0.25 0.00 0.00 55.06 56.28 1sjg s HIS 77 Cb 0.00 -2.35 -0.04 0.00 -1.18 0.00 0.00 32.58 29.02 1sjg s HIS 77 CO 0.00 0.38 0.09 0.20 -0.65 0.00 0.00 174.74 174.76 1sjg s GLY 78 N -1.89 2.05 0.23 1.59 0.00 0.19 -4.08 107.32 105.40 1sjg s GLY 78 Ca 0.40 -0.72 0.07 0.00 0.00 0.00 0.00 44.72 44.48 1sjg s GLY 78 CO 0.20 -0.48 1.53 -2.22 0.00 0.00 0.00 173.10 172.12 1sjg h ILE 79 N 3.95 1.46 -3.32 0.90 5.03 -1.64 -3.26 117.51 120.63 1sjg h ILE 79 Ca -0.53 -2.27 -0.64 0.00 -0.12 0.00 0.00 64.86 61.30 1sjg h ILE 79 Cb 1.21 2.21 -0.23 0.00 -3.03 0.00 0.00 36.82 36.99 1sjg h ILE 79 CO 0.57 0.66 -0.68 0.21 -0.68 0.00 0.00 178.15 178.23 1sjg s ASN 80 N -6.87 4.65 0.07 1.72 2.47 -0.48 -3.31 114.94 113.19 1sjg s ASN 80 Ca -0.02 -0.17 -0.15 0.00 0.42 0.00 0.00 52.86 52.93 1sjg s ASN 80 Cb 0.12 -1.75 -0.17 0.00 -1.45 0.00 0.00 41.25 38.00 1sjg s ASN 80 CO 0.79 0.16 1.27 -0.65 -3.72 0.00 0.00 177.10 174.95 1sjg h PRO 81 N 6.78 0.67 0.00 0.43 0.11 -1.85 -3.42 132.00 134.72 1sjg h PRO 81 Ca -0.31 -0.54 0.00 0.00 0.11 0.00 0.00 66.00 65.26 1sjg h PRO 81 Cb 1.19 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1sjg h PRO 81 CO 0.61 1.16 0.00 -3.47 -0.21 0.00 0.00 178.00 176.09 1sjg n ASP 82 N -4.08 0.00 0.21 -2.05 2.03 -1.21 -4.94 116.55 106.51 1sjg n ASP 82 Ca -0.08 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.34 1sjg n ASP 82 Cb 0.67 0.00 0.22 0.00 -0.72 0.00 0.00 41.12 41.29 1sjg n ASP 82 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1sjg h ASP 83 N 0.75 0.00 -3.11 1.67 2.03 -1.90 -3.43 116.42 112.43 1sjg h ASP 83 Ca 0.00 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.72 1sjg h ASP 83 Cb 0.00 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.47 1sjg h ASP 83 CO 0.00 0.09 -0.33 0.00 -1.03 0.00 0.00 179.24 177.97 1sjg s LEU 86 N -1.26 2.75 0.02 0.00 1.43 0.63 -4.25 118.68 118.00 1sjg s LEU 86 Ca -0.14 -1.27 0.06 0.00 -1.03 0.00 0.00 54.13 51.76 1sjg s LEU 86 Cb -0.09 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 44.91 1sjg s LEU 86 CO -0.01 -0.89 -0.18 0.00 0.23 0.00 0.00 176.35 175.50 1sjg s ALA 87 N -2.74 1.53 -0.30 4.21 0.00 -1.26 -4.78 121.76 118.42 1sjg s ALA 87 Ca 0.31 -0.89 -0.13 0.00 0.00 0.00 0.00 51.96 51.25 1sjg s ALA 87 Cb 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1sjg s ALA 87 CO 0.18 0.35 0.25 -1.21 0.00 0.00 0.00 175.76 175.33 1sjg s GLU 88 N -0.85 3.80 0.21 0.00 2.02 -1.26 -3.17 118.70 119.45 1sjg s GLU 88 Ca 0.06 -0.36 -0.12 0.00 0.02 0.00 0.00 54.97 54.57 1sjg s GLU 88 Cb -0.08 -3.71 -0.07 0.00 0.10 0.00 0.00 34.13 30.36 1sjg s GLU 88 CO 0.01 -0.30 0.58 0.71 0.02 0.00 0.00 175.26 176.27 1sjg s TYR 89 N 1.83 3.49 -0.08 1.61 2.02 -0.18 -4.99 117.35 121.05 1sjg s TYR 89 Ca 0.08 1.00 -0.30 0.00 -0.37 0.00 0.00 57.07 57.49 1sjg s TYR 89 Cb -0.16 -2.35 -0.05 0.00 -0.40 0.00 0.00 41.96 39.00 1sjg s TYR 89 CO 0.11 0.30 1.61 -2.14 -1.57 0.00 0.00 175.55 173.86 1sjg s PRO 90 N -2.52 4.17 -0.04 -1.71 0.02 -1.23 -4.45 135.00 129.24 1sjg s PRO 90 Ca 0.45 2.10 0.04 0.00 0.02 0.00 0.00 61.00 63.60 1sjg s PRO 90 Cb -0.13 -3.96 0.00 0.00 0.02 0.00 0.00 34.50 30.43 1sjg s PRO 90 CO 0.20 -0.85 -0.14 0.54 -0.33 0.00 0.00 177.00 176.41 1sjg s VAL 91 N 4.04 1.23 -0.09 3.83 0.11 -1.26 -0.27 120.40 127.99 1sjg s VAL 91 Ca 0.71 -0.60 0.02 0.00 -2.93 0.00 0.00 61.98 59.18 1sjg s VAL 91 Cb -0.31 -1.07 0.02 0.00 -1.53 0.00 0.00 36.38 33.48 1sjg s VAL 91 CO 0.28 0.36 -0.13 -0.70 -3.33 0.00 0.00 175.10 171.58 1sjg s GLU 92 N 0.15 1.90 -0.19 1.54 2.12 0.11 -4.99 118.70 119.34 1sjg s GLU 92 Ca -0.05 -0.45 -0.03 0.00 0.36 0.00 0.00 54.97 54.80 1sjg s GLU 92 Cb -0.11 -1.64 -0.01 0.00 0.26 0.00 0.00 34.13 32.62 1sjg s GLU 92 CO 0.02 -0.05 -0.06 0.54 -0.54 0.00 0.00 175.26 175.16 1sjg s VAL 93 N 0.96 3.43 -0.37 3.70 0.11 -1.26 -0.29 120.40 126.68 1sjg s VAL 93 Ca -0.08 -0.50 0.02 0.00 -2.93 0.00 0.00 61.98 58.49 1sjg s VAL 93 Cb -0.15 -2.52 0.11 0.00 -1.53 0.00 0.00 36.38 32.29 1sjg s VAL 93 CO -0.00 0.46 0.13 -1.59 -3.33 0.00 0.00 175.10 170.77 1sjg s LYS 94 N 0.97 1.18 4.97 1.54 0.00 0.71 -4.99 119.74 124.13 1sjg s LYS 94 Ca -0.00 -1.65 0.00 0.00 0.00 0.00 0.00 55.97 54.31 1sjg s LYS 94 Cb -0.15 -2.55 0.00 0.00 0.00 0.00 0.00 37.83 35.14 1sjg s LYS 94 CO 0.00 -1.02 0.00 0.41 0.00 0.00 0.00 175.35 174.74 1sjg n GLY 95 N 4.24 1.42 0.60 0.59 0.00 -1.26 -1.24 105.19 109.54 1sjg n GLY 95 Ca 0.03 0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.23 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 9.10 2.47 -4.63 1.61 8.00 -1.26 -4.78 116.55 127.07 1sjg n ASP 96 Ca 0.00 -1.72 -0.34 0.00 0.71 0.00 0.00 54.79 53.43 1sjg n ASP 96 Cb 0.00 -0.11 -0.10 0.00 -0.02 0.00 0.00 41.12 40.89 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 -1.04 4.94 -0.13 -2.24 1.11 -0.37 0.24 116.67 119.18 1sjg s ASP 97 Ca 0.20 0.06 -0.00 0.00 0.18 0.00 0.00 52.55 52.98 1sjg s ASP 97 Cb 0.12 -1.34 0.02 0.00 1.07 0.00 0.00 42.92 42.79 1sjg s ASP 97 CO 0.17 0.36 -0.11 -0.63 1.18 0.00 0.00 175.17 176.15 1sjg s ILE 98 N -0.80 1.29 -0.07 0.77 1.01 -0.59 -0.21 121.20 122.60 1sjg s ILE 98 Ca 0.12 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.31 1sjg s ILE 98 Cb -0.11 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 1sjg s ILE 98 CO 0.02 0.39 -0.11 -0.31 0.00 0.00 0.00 174.94 174.93 1sjg s TYR 99 N 1.60 2.82 0.07 3.97 1.51 0.60 -2.28 117.35 125.64 1sjg s TYR 99 Ca 0.05 -0.18 0.07 0.00 -1.01 0.00 0.00 57.07 56.00 1sjg s TYR 99 Cb -0.13 -1.71 -0.03 0.00 -0.11 0.00 0.00 41.96 39.98 1sjg s TYR 99 CO -0.09 0.16 -0.18 0.14 -1.11 0.00 0.00 175.55 174.47 1sjg s VAL 100 N -0.53 1.45 0.05 0.71 -7.23 0.11 0.07 120.40 115.03 1sjg s VAL 100 Ca 0.07 -1.34 0.06 0.00 -1.81 0.00 0.00 61.98 58.97 1sjg s VAL 100 Cb -0.12 -1.32 -0.03 0.00 0.56 0.00 0.00 36.38 35.48 1sjg s VAL 100 CO 0.02 -0.05 -0.17 -0.55 -0.31 0.00 0.00 175.10 174.03 1sjg s SER 101 N -1.63 2.04 0.00 4.85 0.15 0.63 -0.10 113.70 119.64 1sjg s SER 101 Ca 0.04 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1sjg s SER 101 Cb -0.09 -0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 1sjg s SER 101 CO 0.03 0.06 0.46 0.41 1.20 0.00 0.00 173.24 175.40 1sjg n THR 102 N 1.69 0.15 -3.30 6.45 -1.04 -1.26 -3.52 114.28 113.45 1sjg n THR 102 Ca -0.18 -0.43 -0.38 0.00 -2.04 0.00 0.00 64.05 61.02 1sjg n THR 102 Cb 0.54 1.15 -0.06 0.00 -1.82 0.00 0.00 70.33 70.15 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 -0.15 4.33 0.00 -2.82 2.20 -1.26 -3.97 119.74 118.07 1sjg s LYS 103 Ca 0.00 0.50 0.00 0.00 -0.36 0.00 0.00 55.97 56.11 1sjg s LYS 103 Cb 0.00 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1sjg s LYS 103 CO 0.00 0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.59 1sjg n GLY 104 N 3.13 3.07 3.27 5.54 0.00 -1.26 -4.96 105.19 113.99 1sjg n GLY 104 Ca -0.07 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.31 4.02 0.18 -0.61 1.01 -1.25 -5.08 121.20 119.15 1sjg s ILE 105 Ca 0.00 -1.26 -0.27 0.00 0.00 0.00 0.00 60.65 59.11 1sjg s ILE 105 Cb 0.00 -3.37 -0.08 0.00 0.01 0.00 0.00 42.46 39.02 1sjg s ILE 105 CO 0.00 -0.35 0.84 -0.22 0.00 0.00 0.00 174.94 175.22 1sjg s LEU 106 N 1.41 4.59 0.08 2.97 2.96 -1.26 -4.80 118.68 124.63 1sjg s LEU 106 Ca 0.01 1.74 -0.36 0.00 -0.22 0.00 0.00 54.13 55.30 1sjg s LEU 106 Cb -0.21 -3.42 -0.16 0.00 0.50 0.00 0.00 46.19 42.91 1sjg s LEU 106 CO 0.03 0.15 1.46 -2.65 -1.32 0.00 0.00 176.35 174.02 1sjg n PRO 107 N 1.76 1.49 -3.17 0.98 -0.02 -1.26 -4.90 135.00 129.89 1sjg n PRO 107 Ca -0.04 0.54 -0.37 0.00 -2.02 0.00 0.00 63.50 61.62 1sjg n PRO 107 Cb 0.48 -2.23 -0.06 0.00 -0.02 0.00 0.00 33.50 31.67 1sjg n PRO 107 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1sjg s ASN 108 N 0.95 7.04 0.00 2.55 3.84 -1.26 -4.37 114.94 123.68 1sjg s ASN 108 Ca 0.84 1.35 0.00 0.00 0.21 0.00 0.00 52.86 55.26 1sjg s ASN 108 Cb -0.87 -2.39 0.00 0.00 -0.55 0.00 0.00 41.25 37.44 1sjg s ASN 108 CO 0.45 0.10 0.00 1.17 -2.79 0.00 0.00 177.10 176.03 1sjg n LYS 109 N 0.96 0.00 0.38 0.43 0.00 -1.26 -3.07 118.16 115.60 1sjg n LYS 109 Ca -0.04 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.12 1sjg n LYS 109 Cb 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.47 1sjg n LYS 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1sjg h ALA 110 N -0.38 -1.12 -5.00 3.14 0.00 -1.86 -3.49 119.26 110.55 1sjg h ALA 110 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1sjg h ALA 110 Cb 0.00 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1sjg h ALA 110 CO 0.00 -1.05 -1.09 1.58 0.00 0.00 0.00 179.25 178.69 1sjg n HIS 111 N -4.98 -3.96 1.79 0.00 -0.00 -1.17 -5.14 115.22 101.76 1sjg n HIS 111 Ca -0.12 1.90 0.15 0.00 -0.00 0.00 0.00 57.72 59.65 1sjg n HIS 111 Cb 0.39 -3.89 0.77 0.00 -0.00 0.00 0.00 29.99 27.25 1sjg n HIS 111 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21