#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 1.86 -4.49 6.12 2.88 -1.26 -4.70 113.62 114.04 1sjg n SER 2 Ca 0.00 0.47 -0.43 0.00 -1.33 0.00 0.00 58.87 57.58 1sjg n SER 2 Cb 0.00 -0.90 -0.05 0.00 -0.75 0.00 0.00 64.21 62.51 1sjg n SER 2 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1sjg s PHE 3 N -2.40 2.91 0.02 0.66 0.40 -1.25 -2.11 117.98 116.22 1sjg s PHE 3 Ca -0.26 -0.27 0.01 0.00 -0.60 0.00 0.00 56.93 55.82 1sjg s PHE 3 Cb 0.06 -3.82 -0.04 0.00 0.51 0.00 0.00 43.02 39.73 1sjg s PHE 3 CO 0.45 -1.20 0.04 -1.21 0.70 0.00 0.00 175.22 174.00 1sjg s GLU 4 N 3.32 2.88 -0.26 0.44 0.41 0.83 -4.69 118.70 121.63 1sjg s GLU 4 Ca 0.23 -0.60 -0.29 0.00 -0.41 0.00 0.00 54.97 53.90 1sjg s GLU 4 Cb -0.16 -2.74 -0.00 0.00 -1.78 0.00 0.00 34.13 29.45 1sjg s GLU 4 CO 0.16 0.62 1.27 0.21 -0.49 0.00 0.00 175.26 177.02 1sjg s LYS 5 N -1.81 4.03 -0.18 1.61 2.20 -1.26 -0.52 119.74 123.80 1sjg s LYS 5 Ca 0.23 1.36 0.16 0.00 -0.36 0.00 0.00 55.97 57.36 1sjg s LYS 5 Cb -0.12 -3.83 -0.24 0.00 -1.51 0.00 0.00 37.83 32.13 1sjg s LYS 5 CO 0.14 -0.97 0.13 1.51 -0.36 0.00 0.00 175.35 175.81 1sjg n ILE 6 N 5.91 1.43 -3.46 5.43 0.13 -0.69 -4.98 119.36 123.13 1sjg n ILE 6 Ca 0.14 -0.83 -0.01 0.00 -1.10 0.00 0.00 62.75 60.96 1sjg n ILE 6 Cb 0.46 -0.63 0.00 0.00 -0.84 0.00 0.00 39.64 38.64 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 -1.42 1.78 0.31 0.00 1.04 -1.26 -1.01 113.70 113.13 1sjg s SER 8 Ca 0.04 -0.73 0.25 0.00 0.48 0.00 0.00 55.95 55.99 1sjg s SER 8 Cb -0.01 -0.05 1.09 0.00 0.10 0.00 0.00 66.02 67.16 1sjg s SER 8 CO 0.01 -0.13 1.75 -0.07 0.98 0.00 0.00 173.24 175.77 1sjg h LEU 9 N 3.85 0.00 -1.40 2.42 3.38 -1.09 0.86 115.31 123.33 1sjg h LEU 9 Ca -0.40 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 1sjg h LEU 9 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1sjg h LEU 9 CO 0.47 0.00 -0.17 -0.78 0.09 0.00 0.00 178.44 178.05 1sjg h ASP 10 N 0.00 0.00 0.00 -0.43 3.58 -1.86 -3.28 116.42 114.43 1sjg h ASP 10 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1sjg h ASP 10 Cb 0.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1sjg h ASP 10 CO 0.00 0.17 -0.10 0.44 -2.88 0.00 0.00 179.24 176.87 1sjg h ASP 11 N 0.00 0.00 -3.13 2.28 3.32 -1.17 -3.47 116.42 114.25 1sjg h ASP 11 Ca -0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 1sjg h ASP 11 Cb 0.60 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.02 1sjg h ASP 11 CO 0.02 0.32 -0.55 0.27 -1.72 0.00 0.00 179.24 177.59 1sjg s ILE 12 N -1.43 4.92 0.56 0.35 -4.36 -0.89 -5.06 121.20 115.29 1sjg s ILE 12 Ca -0.03 0.00 0.01 0.00 -0.26 0.00 0.00 60.65 60.37 1sjg s ILE 12 Cb 0.00 -3.17 0.03 0.00 1.25 0.00 0.00 42.46 40.58 1sjg s ILE 12 CO 0.04 0.53 0.78 0.26 0.24 0.00 0.00 174.94 176.79 1sjg s TRP 13 N -0.25 2.85 -0.06 1.37 0.52 -1.26 -4.48 118.94 117.63 1sjg s TRP 13 Ca 0.09 -0.00 -0.30 0.00 0.02 0.00 0.00 56.10 55.91 1sjg s TRP 13 Cb -0.12 -2.77 -0.06 0.00 -1.15 0.00 0.00 33.47 29.37 1sjg s TRP 13 CO 0.01 -0.89 1.81 0.08 0.02 0.00 0.00 176.95 177.98 1sjg s VAL 14 N -2.78 3.36 0.00 4.03 1.01 -1.26 -0.81 120.40 123.96 1sjg s VAL 14 Ca 0.57 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.98 1sjg s VAL 14 Cb -0.10 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1sjg s VAL 14 CO 0.39 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1sjg n GLY 15 N 4.50 0.77 3.61 4.51 0.00 0.16 -4.93 105.19 113.80 1sjg n GLY 15 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.93 2.22 -0.04 1.61 2.02 0.01 -4.98 118.70 118.61 1sjg s GLU 16 Ca 0.00 -1.04 -0.12 0.00 0.02 0.00 0.00 54.97 53.82 1sjg s GLU 16 Cb 0.00 -2.33 0.02 0.00 0.10 0.00 0.00 34.13 31.93 1sjg s GLU 16 CO 0.00 0.49 0.28 0.00 0.02 0.00 0.00 175.26 176.05 1sjg s MET 17 N -2.42 0.53 0.09 1.61 0.23 -1.26 -1.15 119.30 116.93 1sjg s MET 17 Ca 0.23 -0.02 -0.24 0.00 -1.03 0.00 0.00 55.69 54.64 1sjg s MET 17 Cb -0.11 0.24 0.06 0.00 -1.53 0.00 0.00 34.83 33.49 1sjg s MET 17 CO 0.15 -0.12 0.57 -1.83 -2.03 0.00 0.00 175.02 171.76 1sjg s GLU 18 N -0.84 1.15 0.02 3.16 -1.05 -0.25 -4.83 118.70 116.06 1sjg s GLU 18 Ca -0.09 -0.30 -0.12 0.00 -0.15 0.00 0.00 54.97 54.31 1sjg s GLU 18 Cb -0.05 0.53 -0.06 0.00 -0.44 0.00 0.00 34.13 34.12 1sjg s GLU 18 CO 0.03 -0.45 0.38 -0.08 0.95 0.00 0.00 175.26 176.08 1sjg s THR 19 N -2.94 5.09 0.11 1.83 -1.32 -1.26 -0.32 115.64 116.84 1sjg s THR 19 Ca -0.03 0.65 0.05 0.00 -1.21 0.00 0.00 61.69 61.15 1sjg s THR 19 Cb -0.00 -3.66 -0.04 0.00 -1.51 0.00 0.00 72.50 67.29 1sjg s THR 19 CO -0.06 0.49 -0.11 -0.36 -2.21 0.00 0.00 174.62 172.37 1sjg s PHE 20 N -1.18 1.20 -0.11 9.09 0.08 0.28 -4.94 117.98 122.40 1sjg s PHE 20 Ca 0.26 -0.63 -0.09 0.00 0.12 0.00 0.00 56.93 56.59 1sjg s PHE 20 Cb -0.15 -0.64 -0.04 0.00 -0.57 0.00 0.00 43.02 41.61 1sjg s PHE 20 CO 0.14 0.06 0.20 -2.00 -0.10 0.00 0.00 175.22 173.52 1sjg s GLU 21 N -2.86 3.66 0.82 0.44 2.12 -1.26 -0.55 118.70 121.08 1sjg s GLU 21 Ca 0.08 -0.02 -0.11 0.00 0.36 0.00 0.00 54.97 55.28 1sjg s GLU 21 Cb -0.03 -3.23 0.12 0.00 0.26 0.00 0.00 34.13 31.25 1sjg s GLU 21 CO 0.01 0.68 1.16 0.95 -0.54 0.00 0.00 175.26 177.52 1sjg s THR 22 N -0.80 2.09 -0.28 -1.70 -4.23 0.17 -4.90 115.64 105.99 1sjg s THR 22 Ca 0.16 -0.14 0.25 0.00 -1.18 0.00 0.00 61.69 60.78 1sjg s THR 22 Cb -0.13 -2.95 0.26 0.00 1.34 0.00 0.00 72.50 71.03 1sjg s THR 22 CO 0.05 0.00 1.76 0.28 -0.54 0.00 0.00 174.62 176.17 1sjg h SER 23 N -1.08 0.00 0.45 3.99 0.02 -1.95 -1.46 113.55 113.52 1sjg h SER 23 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1sjg h SER 23 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1sjg h SER 23 CO 0.52 0.00 -0.94 -0.67 -1.14 0.00 0.00 176.83 174.59 1sjg n ASP 24 N -2.37 0.63 0.00 3.07 -0.08 -1.26 -4.94 116.55 111.59 1sjg n ASP 24 Ca 0.01 -0.23 0.00 0.00 -1.51 0.00 0.00 54.79 53.05 1sjg n ASP 24 Cb 0.17 0.71 0.00 0.00 2.34 0.00 0.00 41.12 44.33 1sjg n ASP 24 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1sjg n GLY 25 N 1.39 0.58 3.72 0.27 0.00 -0.55 -5.07 105.19 105.52 1sjg n GLY 25 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 4.22 -0.25 2.61 2.01 -1.26 -4.69 115.64 116.28 1sjg s THR 26 Ca 0.00 1.75 -0.12 0.00 0.31 0.00 0.00 61.69 63.63 1sjg s THR 26 Cb 0.00 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.35 1sjg s THR 26 CO 0.00 0.22 0.22 -1.61 -0.69 0.00 0.00 174.62 172.77 1sjg s GLU 27 N 0.31 4.04 0.03 4.92 2.02 -1.26 0.45 118.70 129.21 1sjg s GLU 27 Ca 0.52 -0.19 0.08 0.00 0.02 0.00 0.00 54.97 55.40 1sjg s GLU 27 Cb -0.27 -3.59 -0.03 0.00 0.10 0.00 0.00 34.13 30.35 1sjg s GLU 27 CO 0.31 -0.06 -0.23 0.08 0.02 0.00 0.00 175.26 175.38 1sjg s VAL 28 N 1.41 1.86 -0.26 2.63 1.01 0.29 -2.92 120.40 124.42 1sjg s VAL 28 Ca 0.10 -1.23 -0.16 0.00 0.00 0.00 0.00 61.98 60.69 1sjg s VAL 28 Cb -0.15 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1sjg s VAL 28 CO 0.07 0.32 0.43 -0.22 0.00 0.00 0.00 175.10 175.70 1sjg s LEU 29 N -1.09 4.05 -0.34 3.92 1.98 0.64 -0.56 118.68 127.29 1sjg s LEU 29 Ca 0.09 0.40 -0.10 0.00 -2.89 0.00 0.00 54.13 51.63 1sjg s LEU 29 Cb -0.09 -2.53 0.01 0.00 0.66 0.00 0.00 46.19 44.24 1sjg s LEU 29 CO 0.01 -0.22 0.18 -0.63 -1.89 0.00 0.00 176.35 173.80 1sjg s ILE 30 N 2.10 4.59 -0.15 6.68 1.09 0.57 -1.94 121.20 134.13 1sjg s ILE 30 Ca 0.18 -0.62 -0.01 0.00 -1.10 0.00 0.00 60.65 59.10 1sjg s ILE 30 Cb -0.16 -3.44 -0.02 0.00 -1.06 0.00 0.00 42.46 37.79 1sjg s ILE 30 CO 0.09 -0.07 -0.10 0.54 -0.10 0.00 0.00 174.94 175.31 1sjg s VAL 31 N 1.59 3.25 -0.41 2.92 0.11 0.59 -1.09 120.40 127.36 1sjg s VAL 31 Ca 0.03 -0.58 -0.05 0.00 -2.93 0.00 0.00 61.98 58.45 1sjg s VAL 31 Cb -0.18 -2.40 0.10 0.00 -1.53 0.00 0.00 36.38 32.37 1sjg s VAL 31 CO 0.06 0.51 0.21 0.21 -3.33 0.00 0.00 175.10 172.76 1sjg s ASN 32 N 0.51 5.36 0.21 3.54 2.47 -0.30 0.08 114.94 126.81 1sjg s ASN 32 Ca -0.07 -1.81 0.05 0.00 0.42 0.00 0.00 52.86 51.46 1sjg s ASN 32 Cb -0.15 -1.87 -0.04 0.00 -1.45 0.00 0.00 41.25 37.74 1sjg s ASN 32 CO 0.04 -0.53 0.23 -0.94 -3.72 0.00 0.00 177.10 172.18 1sjg s SER 33 N 1.93 5.82 0.15 -4.21 1.04 0.82 0.36 113.70 119.61 1sjg s SER 33 Ca 0.05 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1sjg s SER 33 Cb -0.23 -1.59 -0.06 0.00 0.10 0.00 0.00 66.02 64.24 1sjg s SER 33 CO -0.02 -0.00 1.34 1.05 0.98 0.00 0.00 173.24 176.58 1sjg h GLU 34 N 1.78 0.25 0.03 4.02 9.09 -1.92 -2.79 114.58 125.04 1sjg h GLU 34 Ca -0.49 -0.29 -0.36 0.00 0.05 0.00 0.00 59.36 58.27 1sjg h GLU 34 Cb 1.22 0.09 -0.05 0.00 -1.65 0.00 0.00 28.75 28.36 1sjg h GLU 34 CO 0.63 1.02 -2.01 -1.91 0.05 0.00 0.00 179.01 176.78 1sjg n GLU 35 N -3.66 0.63 0.00 1.06 2.13 -1.26 -4.51 120.64 115.02 1sjg n GLU 35 Ca -0.05 0.34 0.12 0.00 0.66 0.00 0.00 57.16 58.23 1sjg n GLU 35 Cb 0.84 -1.62 0.10 0.00 0.27 0.00 0.00 31.44 31.03 1sjg n GLU 35 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1sjg n HIS 36 N -3.97 0.00 -4.02 4.31 8.25 -1.26 -5.07 115.22 113.46 1sjg n HIS 36 Ca -0.41 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.05 1sjg n HIS 36 Cb 0.87 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.95 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 1.40 -1.64 3.60 -1.41 0.00 -1.05 -4.70 105.19 101.38 1sjg n GLY 37 Ca 0.10 -1.34 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 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 5.08 0.05 1.61 0.11 -1.25 -0.13 120.40 125.87 1sjg s VAL 38 Ca 0.00 0.70 0.05 0.00 -2.93 0.00 0.00 61.98 59.80 1sjg s VAL 38 Cb 0.00 -3.83 -0.02 0.00 -1.53 0.00 0.00 36.38 31.00 1sjg s VAL 38 CO 0.00 0.04 -0.14 -0.54 -3.33 0.00 0.00 175.10 171.12 1sjg s LYS 39 N 2.28 0.92 -0.21 1.54 1.02 0.11 -4.83 119.74 120.57 1sjg s LYS 39 Ca 0.19 -0.81 0.01 0.00 0.02 0.00 0.00 55.97 55.38 1sjg s LYS 39 Cb -0.16 -0.94 0.05 0.00 -0.52 0.00 0.00 37.83 36.27 1sjg s LYS 39 CO 0.10 0.23 -0.08 0.00 -0.92 0.00 0.00 175.35 174.68 1sjg s ALA 40 N -0.94 1.99 0.11 5.17 0.00 -1.26 -0.30 121.76 126.53 1sjg s ALA 40 Ca 0.01 -1.27 -0.00 0.00 0.00 0.00 0.00 51.96 50.69 1sjg s ALA 40 Cb -0.08 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 1sjg s ALA 40 CO 0.02 -0.98 0.02 1.52 0.00 0.00 0.00 175.76 176.33 1sjg s TYR 41 N 1.39 0.82 0.25 0.00 -0.85 -0.82 -0.04 117.35 118.11 1sjg s TYR 41 Ca -0.03 -1.13 -0.30 0.00 -0.52 0.00 0.00 57.07 55.08 1sjg s TYR 41 Cb -0.17 -0.49 -0.14 0.00 0.38 0.00 0.00 41.96 41.54 1sjg s TYR 41 CO -0.07 -0.41 1.19 1.04 -1.52 0.00 0.00 175.55 175.78 1sjg n GLN 42 N -0.05 1.58 -0.05 -3.49 1.13 -0.68 -0.26 117.38 115.56 1sjg n GLN 42 Ca -0.08 0.56 -0.07 0.00 -1.94 0.00 0.00 57.00 55.46 1sjg n GLN 42 Cb 0.63 -2.06 -0.05 0.00 0.11 0.00 0.00 30.24 28.86 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 1.02 1.77 -2.73 -1.58 0.00 -1.15 -4.62 120.51 113.22 1sjg n ALA 43 Ca 0.11 -0.48 -0.43 0.00 0.00 0.00 0.00 53.44 52.63 1sjg n ALA 43 Cb 0.30 0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1sjg n ALA 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1sjg n MET 44 N -2.71 3.27 -0.08 0.00 2.81 -1.25 -4.54 117.12 114.62 1sjg n MET 44 Ca -0.18 -3.52 -0.06 0.00 -1.81 0.00 0.00 57.70 52.13 1sjg n MET 44 Cb 0.72 -3.30 -0.16 0.00 -0.71 0.00 0.00 33.22 29.77 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 -2.65 0.77 -0.05 0.00 -0.04 -1.26 -4.76 135.00 127.02 1sjg n PRO 46 Ca -0.27 0.14 0.02 0.00 -0.04 0.00 0.00 63.50 63.35 1sjg n PRO 46 Cb 1.04 -2.43 0.09 0.00 -0.04 0.00 0.00 33.50 32.16 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 11.30 0.12 -3.93 0.54 8.25 -1.26 -4.35 115.22 125.89 1sjg n HIS 47 Ca 0.47 -0.06 -0.28 0.00 -0.26 0.00 0.00 57.72 57.58 1sjg n HIS 47 Cb 0.25 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.19 1sjg n HIS 47 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1sjg s GLN 48 N -1.88 1.68 -0.33 -0.41 -0.44 -1.26 -4.84 119.66 112.18 1sjg s GLN 48 Ca 0.09 -0.52 -0.36 0.00 -2.50 0.00 0.00 55.36 52.07 1sjg s GLN 48 Cb 0.04 -1.99 -0.12 0.00 -1.64 0.00 0.00 33.01 29.30 1sjg s GLN 48 CO 0.06 -0.37 2.12 -0.85 0.50 0.00 0.00 175.29 176.76 1sjg n GLU 49 N 4.84 1.14 -3.70 1.67 0.00 -1.26 -4.85 120.64 118.48 1sjg n GLU 49 Ca -0.13 0.33 -0.10 0.00 0.00 0.00 0.00 57.16 57.26 1sjg n GLU 49 Cb 0.48 -2.42 -0.04 0.00 0.00 0.00 0.00 31.44 29.46 1sjg n GLU 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.13 175.63 1sjg s ILE 50 N 6.69 0.03 -0.50 3.84 1.10 -1.26 -5.11 121.20 126.00 1sjg s ILE 50 Ca 1.07 -0.70 -0.12 0.00 -0.51 0.00 0.00 60.65 60.39 1sjg s ILE 50 Cb -0.88 -1.46 0.12 0.00 0.15 0.00 0.00 42.46 40.39 1sjg s ILE 50 CO 0.51 -0.16 0.40 -0.22 -2.11 0.00 0.00 174.94 173.37 1sjg s LEU 51 N -2.85 5.87 0.45 8.50 2.96 -1.26 -4.93 118.68 127.42 1sjg s LEU 51 Ca 0.08 -1.85 0.15 0.00 -0.22 0.00 0.00 54.13 52.29 1sjg s LEU 51 Cb -0.00 -2.09 1.09 0.00 0.50 0.00 0.00 46.19 45.69 1sjg s LEU 51 CO -0.05 -0.75 2.00 0.25 -1.32 0.00 0.00 176.35 176.48 1sjg h LEU 52 N 8.62 0.29 -1.05 -0.68 6.46 -1.94 -0.72 115.31 126.29 1sjg h LEU 52 Ca -0.25 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.49 1sjg h LEU 52 Cb 1.08 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.95 1sjg h LEU 52 CO 0.93 0.18 -0.15 0.77 -0.62 0.00 0.00 178.44 179.54 1sjg h SER 53 N 0.32 0.00 -0.58 1.25 4.64 -1.91 0.42 113.55 117.70 1sjg h SER 53 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1sjg h SER 53 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1sjg h SER 53 CO -0.06 0.15 0.00 -0.62 -0.87 0.00 0.00 176.83 175.44 1sjg n GLU 54 N -3.27 3.18 0.00 4.77 -0.58 -0.33 -4.56 120.64 119.85 1sjg n GLU 54 Ca 0.01 -2.63 0.00 0.00 -0.42 0.00 0.00 57.16 54.11 1sjg n GLU 54 Cb 0.42 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 1sjg n GLU 54 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sjg n GLY 55 N 1.02 0.35 3.08 0.62 0.00 0.11 -5.00 105.19 105.38 1sjg n GLY 55 Ca 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.38 -0.07 -0.16 1.61 0.15 -1.04 -5.07 113.70 108.74 1sjg s SER 56 Ca 0.00 0.04 -0.01 0.00 0.70 0.00 0.00 55.95 56.68 1sjg s SER 56 Cb 0.00 0.27 0.04 0.00 -1.71 0.00 0.00 66.02 64.63 1sjg s SER 56 CO 0.00 -0.23 -0.02 -0.47 1.20 0.00 0.00 173.24 173.72 1sjg s TYR 57 N -0.72 1.33 -0.34 3.44 5.04 -1.26 -3.36 117.35 121.47 1sjg s TYR 57 Ca -0.08 -0.86 0.00 0.00 -2.44 0.00 0.00 57.07 53.69 1sjg s TYR 57 Cb -0.05 -1.14 0.09 0.00 0.35 0.00 0.00 41.96 41.21 1sjg s TYR 57 CO 0.01 -0.56 0.07 -2.00 -1.34 0.00 0.00 175.55 171.73 1sjg s GLU 58 N 1.76 1.94 0.00 4.97 2.56 0.10 -4.89 118.70 125.14 1sjg s GLU 58 Ca 0.01 -1.67 0.00 0.00 0.00 0.00 0.00 54.97 53.31 1sjg s GLU 58 Cb -0.15 -3.29 0.00 0.00 2.00 0.00 0.00 34.13 32.69 1sjg s GLU 58 CO -0.07 -0.87 0.00 0.41 -0.56 0.00 0.00 175.26 174.16 1sjg n GLY 59 N 4.46 0.92 0.00 -1.50 0.00 -1.26 0.23 105.19 108.04 1sjg n GLY 59 Ca -0.04 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.39 3.66 -0.02 0.00 -1.26 -4.88 105.19 103.09 1sjg n GLY 60 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1sjg n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sjg s VAL 61 N 0.00 5.17 -0.02 1.61 1.01 0.14 -0.64 120.40 127.67 1sjg s VAL 61 Ca 0.00 0.77 -0.14 0.00 0.00 0.00 0.00 61.98 62.60 1sjg s VAL 61 Cb 0.00 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1sjg s VAL 61 CO 0.00 0.23 0.39 -0.63 0.00 0.00 0.00 175.10 175.09 1sjg s ILE 62 N 1.44 5.07 -0.35 2.22 1.01 0.11 0.00 121.20 130.71 1sjg s ILE 62 Ca 0.20 0.80 -0.28 0.00 0.00 0.00 0.00 60.65 61.37 1sjg s ILE 62 Cb -0.15 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.64 1sjg s ILE 62 CO 0.09 0.56 1.05 -0.89 0.00 0.00 0.00 174.94 175.75 1sjg s THR 63 N -0.94 4.49 0.02 2.92 2.01 -1.21 -2.53 115.64 120.41 1sjg s THR 63 Ca 0.23 1.58 -0.14 0.00 0.31 0.00 0.00 61.69 63.67 1sjg s THR 63 Cb -0.16 -4.42 -0.06 0.00 0.01 0.00 0.00 72.50 67.87 1sjg s THR 63 CO 0.12 -0.55 0.42 0.00 -0.69 0.00 0.00 174.62 173.93 1sjg n ARG 65 N 1.61 0.04 0.00 0.00 0.63 -1.26 -3.79 116.66 113.89 1sjg n ARG 65 Ca -0.12 0.01 0.12 0.00 -0.92 0.00 0.00 57.85 56.94 1sjg n ARG 65 Cb 0.52 -0.91 0.22 0.00 0.45 0.00 0.00 32.46 32.74 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 -2.68 3.44 -4.12 5.13 0.00 -1.26 -4.85 120.51 116.17 1sjg n ALA 66 Ca -0.03 -0.47 -0.14 0.00 0.00 0.00 0.00 53.44 52.80 1sjg n ALA 66 Cb 0.53 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 1sjg n ALA 66 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1sjg n HIS 67 N -0.74 -0.00 -1.90 0.00 8.25 -1.26 -4.97 115.22 114.59 1sjg n HIS 67 Ca 0.09 -1.07 -0.41 0.00 -0.26 0.00 0.00 57.72 56.07 1sjg n HIS 67 Cb 0.37 -0.16 -0.01 0.00 1.12 0.00 0.00 29.99 31.31 1sjg n HIS 67 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1sjg n LEU 68 N 0.00 5.61 0.00 2.41 -0.00 -1.24 -4.80 117.00 118.98 1sjg n LEU 68 Ca -0.07 -3.81 0.00 0.00 -0.00 0.00 0.00 56.01 52.13 1sjg n LEU 68 Cb 0.28 -1.61 0.00 0.00 -0.00 0.00 0.00 43.42 42.09 1sjg n LEU 68 CO 0.15 0.39 0.00 -2.67 -0.00 0.00 0.00 177.39 175.26 1sjg n TRP 69 N 7.60 0.00 -3.83 1.96 4.27 -1.25 -4.56 117.44 121.64 1sjg n TRP 69 Ca 0.50 0.00 -0.35 0.00 -3.89 0.00 0.00 57.50 53.76 1sjg n TRP 69 Cb 0.42 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.27 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 0.00 5.02 -0.02 -1.67 -4.23 -1.26 -1.78 115.64 111.70 1sjg s THR 70 Ca 0.00 0.05 0.02 0.00 -1.18 0.00 0.00 61.69 60.58 1sjg s THR 70 Cb 0.00 -3.30 0.01 0.00 1.34 0.00 0.00 72.50 70.54 1sjg s THR 70 CO 0.00 0.41 -0.05 0.12 -0.54 0.00 0.00 174.62 174.56 1sjg s PHE 71 N 0.72 0.57 -0.06 3.99 5.36 -1.05 -3.08 117.98 124.43 1sjg s PHE 71 Ca 0.06 -0.12 0.04 0.00 -0.96 0.00 0.00 56.93 55.95 1sjg s PHE 71 Cb -0.13 -0.44 -0.00 0.00 -0.34 0.00 0.00 43.02 42.11 1sjg s PHE 71 CO 0.02 -0.07 -0.20 1.21 -1.46 0.00 0.00 175.22 174.72 1sjg s ASN 72 N 0.26 2.53 0.10 6.13 2.47 -0.99 0.09 114.94 125.54 1sjg s ASN 72 Ca -0.03 -0.43 -0.15 0.00 0.42 0.00 0.00 52.86 52.67 1sjg s ASN 72 Cb -0.07 -0.87 -0.09 0.00 -1.45 0.00 0.00 41.25 38.77 1sjg s ASN 72 CO -0.00 0.16 1.41 -0.78 -3.72 0.00 0.00 177.10 174.16 1sjg h ASP 73 N 6.41 0.76 -0.69 -4.21 3.58 -1.17 -0.84 116.42 120.26 1sjg h ASP 73 Ca -0.29 -0.49 0.01 0.00 0.42 0.00 0.00 57.03 56.68 1sjg h ASP 73 Cb 1.19 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.99 1sjg h ASP 73 CO 0.47 1.10 0.45 1.23 -2.88 0.00 0.00 179.24 179.61 1sjg h GLY 74 N 0.44 0.97 1.95 -0.78 0.00 -1.95 -1.89 103.07 101.81 1sjg h GLY 74 Ca 0.04 -0.36 -0.16 0.00 0.00 0.00 0.00 47.33 46.84 1sjg h GLY 74 CO 0.08 0.36 -0.78 -0.84 0.00 0.00 0.00 176.54 175.35 1sjg h THR 75 N 0.93 1.25 -1.15 4.70 2.02 -1.94 -3.47 112.91 115.26 1sjg h THR 75 Ca 0.25 -2.79 -0.21 0.00 0.77 0.00 0.00 66.41 64.44 1sjg h THR 75 Cb -0.10 2.61 -0.03 0.00 -1.74 0.00 0.00 68.15 68.89 1sjg h THR 75 CO -0.05 0.71 -0.24 0.61 0.37 0.00 0.00 175.52 176.92 1sjg n GLY 76 N 1.29 0.35 3.42 2.16 0.00 -0.34 -4.98 105.19 107.09 1sjg n GLY 76 Ca 0.00 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.47 -0.48 0.23 1.61 2.46 -1.07 -1.16 115.29 114.40 1sjg s HIS 77 Ca 0.00 0.55 -0.30 0.00 0.47 0.00 0.00 55.06 55.78 1sjg s HIS 77 Cb 0.00 0.39 -0.09 0.00 -0.13 0.00 0.00 32.58 32.75 1sjg s HIS 77 CO 0.00 -0.67 1.13 0.20 -2.47 0.00 0.00 174.74 172.93 1sjg s GLY 78 N -1.98 2.90 -0.01 1.59 0.00 0.78 -2.34 107.32 108.26 1sjg s GLY 78 Ca -0.05 0.90 -0.18 0.00 0.00 0.00 0.00 44.72 45.39 1sjg s GLY 78 CO -0.02 1.65 0.93 -2.22 0.00 0.00 0.00 173.10 173.44 1sjg h ILE 79 N 3.45 1.34 -1.35 0.90 1.08 -1.85 -3.39 117.51 117.69 1sjg h ILE 79 Ca -0.45 -2.62 0.09 0.00 -0.39 0.00 0.00 64.86 61.49 1sjg h ILE 79 Cb 1.21 3.08 -0.21 0.00 -3.07 0.00 0.00 36.82 37.83 1sjg h ILE 79 CO 0.70 0.77 -0.19 0.21 -0.69 0.00 0.00 178.15 178.96 1sjg s ASN 80 N -7.33 -1.25 0.97 1.72 3.84 -1.20 -4.53 114.94 107.16 1sjg s ASN 80 Ca -0.11 1.12 -0.14 0.00 0.21 0.00 0.00 52.86 53.93 1sjg s ASN 80 Cb 0.03 2.18 0.21 0.00 -0.55 0.00 0.00 41.25 43.12 1sjg s ASN 80 CO 0.89 -0.24 1.26 -0.81 -2.79 0.00 0.00 177.10 175.42 1sjg n PRO 81 N 5.43 -1.13 0.14 0.43 -0.05 -1.26 -3.68 135.00 134.87 1sjg n PRO 81 Ca -0.05 -2.08 0.12 0.00 -0.05 0.00 0.00 63.50 61.43 1sjg n PRO 81 Cb 0.50 -1.26 0.08 0.00 -0.05 0.00 0.00 33.50 32.77 1sjg n PRO 81 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 175.50 175.67 1sjg h ASP 82 N -1.58 0.00 -0.21 3.54 3.58 -1.80 -3.37 116.42 116.59 1sjg h ASP 82 Ca -0.41 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.00 1sjg h ASP 82 Cb 1.16 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.19 1sjg h ASP 82 CO 0.30 0.01 0.06 0.44 -2.88 0.00 0.00 179.24 177.17 1sjg h ASP 83 N 0.00 0.37 -3.23 2.28 3.32 -1.96 -3.43 116.42 113.78 1sjg h ASP 83 Ca 0.00 -0.04 -0.57 0.00 0.02 0.00 0.00 57.03 56.43 1sjg h ASP 83 Cb 0.98 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.39 1sjg h ASP 83 CO 0.00 0.39 -0.10 0.00 -1.72 0.00 0.00 179.24 177.81 1sjg s LEU 86 N -2.91 2.98 -0.31 0.00 2.96 -0.31 -3.67 118.68 117.41 1sjg s LEU 86 Ca 0.07 -0.23 -0.05 0.00 -0.22 0.00 0.00 54.13 53.70 1sjg s LEU 86 Cb 0.07 -1.70 0.03 0.00 0.50 0.00 0.00 46.19 45.10 1sjg s LEU 86 CO -0.09 0.17 0.06 0.00 -1.32 0.00 0.00 176.35 175.17 1sjg s ALA 87 N 0.37 2.97 0.09 5.97 0.00 -1.26 -4.74 121.76 125.16 1sjg s ALA 87 Ca -0.07 -1.65 -0.04 0.00 0.00 0.00 0.00 51.96 50.19 1sjg s ALA 87 Cb -0.15 -2.12 -0.05 0.00 0.00 0.00 0.00 23.12 20.80 1sjg s ALA 87 CO 0.04 -1.18 0.31 -1.83 0.00 0.00 0.00 175.76 173.11 1sjg s GLU 88 N 1.39 3.57 0.09 0.00 4.04 -1.26 -1.68 118.70 124.84 1sjg s GLU 88 Ca -0.01 -0.17 0.05 0.00 0.04 0.00 0.00 54.97 54.87 1sjg s GLU 88 Cb -0.19 -2.95 -0.04 0.00 0.02 0.00 0.00 34.13 30.97 1sjg s GLU 88 CO 0.01 0.54 0.00 0.71 -1.84 0.00 0.00 175.26 174.69 1sjg s TYR 89 N -1.54 2.99 -0.00 4.83 2.02 0.95 -4.97 117.35 121.63 1sjg s TYR 89 Ca 0.36 -0.02 -0.30 0.00 -0.37 0.00 0.00 57.07 56.74 1sjg s TYR 89 Cb -0.13 -1.54 -0.07 0.00 -0.40 0.00 0.00 41.96 39.82 1sjg s TYR 89 CO 0.24 0.48 1.67 -2.14 -1.57 0.00 0.00 175.55 174.23 1sjg s PRO 90 N -2.28 4.19 -0.10 -1.71 0.02 -1.26 -4.38 135.00 129.47 1sjg s PRO 90 Ca 0.26 2.26 -0.03 0.00 0.02 0.00 0.00 61.00 63.51 1sjg s PRO 90 Cb -0.12 -3.86 -0.03 0.00 0.02 0.00 0.00 34.50 30.51 1sjg s PRO 90 CO 0.18 -0.81 0.01 0.08 -0.33 0.00 0.00 177.00 176.13 1sjg s VAL 91 N 3.56 4.34 -0.22 3.83 1.01 -1.26 -0.56 120.40 131.11 1sjg s VAL 91 Ca 0.75 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.48 1sjg s VAL 91 Cb -0.36 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.18 1sjg s VAL 91 CO 0.31 0.59 -0.09 -0.70 0.00 0.00 0.00 175.10 175.21 1sjg s GLU 92 N -0.68 3.17 -0.24 2.72 2.12 0.18 -4.98 118.70 120.99 1sjg s GLU 92 Ca 0.11 -0.75 -0.06 0.00 0.36 0.00 0.00 54.97 54.63 1sjg s GLU 92 Cb -0.12 -2.89 -0.02 0.00 0.26 0.00 0.00 34.13 31.36 1sjg s GLU 92 CO 0.02 -0.24 0.03 0.54 -0.54 0.00 0.00 175.26 175.07 1sjg s VAL 93 N 1.40 3.99 0.05 3.70 0.11 -1.26 -1.62 120.40 126.77 1sjg s VAL 93 Ca 0.05 -0.28 0.07 0.00 -2.93 0.00 0.00 61.98 58.88 1sjg s VAL 93 Cb -0.14 -2.85 -0.02 0.00 -1.53 0.00 0.00 36.38 31.83 1sjg s VAL 93 CO -0.06 0.37 -0.18 -1.59 -3.33 0.00 0.00 175.10 170.30 1sjg s LYS 94 N 1.54 1.21 0.08 1.54 0.00 -0.68 -5.04 119.74 118.39 1sjg s LYS 94 Ca 0.06 -0.90 0.01 0.00 0.00 0.00 0.00 55.97 55.14 1sjg s LYS 94 Cb -0.15 -1.30 0.22 0.00 0.00 0.00 0.00 37.83 36.61 1sjg s LYS 94 CO 0.01 0.33 0.41 0.41 0.00 0.00 0.00 175.35 176.51 1sjg n GLY 95 N 1.78 -0.34 0.00 0.59 0.00 -1.26 -0.21 105.19 105.76 1sjg n GLY 95 Ca -0.18 0.25 0.02 0.00 0.00 0.00 0.00 46.02 46.12 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 -4.08 1.59 -4.35 1.61 8.00 -1.26 -4.69 116.55 113.38 1sjg n ASP 96 Ca 0.07 -0.38 -0.28 0.00 0.71 0.00 0.00 54.79 54.91 1sjg n ASP 96 Cb 0.22 1.06 -0.13 0.00 -0.02 0.00 0.00 41.12 42.25 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 -1.75 3.04 -0.22 -2.24 1.11 0.71 -0.62 116.67 116.71 1sjg s ASP 97 Ca 0.00 -0.70 0.00 0.00 0.18 0.00 0.00 52.55 52.04 1sjg s ASP 97 Cb 0.03 -0.21 0.05 0.00 1.07 0.00 0.00 42.92 43.86 1sjg s ASP 97 CO 0.16 0.16 -0.06 -0.63 1.18 0.00 0.00 175.17 175.97 1sjg s ILE 98 N -1.03 1.46 -0.00 0.77 1.01 -0.18 -1.68 121.20 121.54 1sjg s ILE 98 Ca 0.11 -1.08 0.02 0.00 0.00 0.00 0.00 60.65 59.70 1sjg s ILE 98 Cb -0.10 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 1sjg s ILE 98 CO 0.05 -0.02 -0.02 -0.31 0.00 0.00 0.00 174.94 174.63 1sjg s TYR 99 N 1.44 3.01 0.01 3.97 1.51 -0.64 -1.70 117.35 124.94 1sjg s TYR 99 Ca -0.04 0.04 -0.00 0.00 -1.01 0.00 0.00 57.07 56.06 1sjg s TYR 99 Cb -0.18 -1.65 -0.01 0.00 -0.11 0.00 0.00 41.96 40.01 1sjg s TYR 99 CO -0.07 0.43 -0.01 0.54 -1.11 0.00 0.00 175.55 175.33 1sjg s VAL 100 N -1.04 0.06 -0.37 0.71 0.11 0.32 0.47 120.40 120.66 1sjg s VAL 100 Ca 0.18 -0.50 -0.23 0.00 -2.93 0.00 0.00 61.98 58.51 1sjg s VAL 100 Cb -0.11 -0.16 0.01 0.00 -1.53 0.00 0.00 36.38 34.58 1sjg s VAL 100 CO 0.09 -0.27 0.77 -0.55 -3.33 0.00 0.00 175.10 171.80 1sjg s SER 101 N -0.81 6.53 -0.02 3.54 0.15 0.28 -0.12 113.70 123.26 1sjg s SER 101 Ca -0.09 0.31 0.03 0.00 0.70 0.00 0.00 55.95 56.90 1sjg s SER 101 Cb -0.06 -2.39 0.05 0.00 -1.71 0.00 0.00 66.02 61.91 1sjg s SER 101 CO -0.00 -0.73 0.88 1.07 1.20 0.00 0.00 173.24 175.66 1sjg n THR 102 N 5.78 0.43 -3.79 6.45 5.66 -0.89 -4.06 114.28 123.86 1sjg n THR 102 Ca 0.02 -0.49 -0.36 0.00 -3.05 0.00 0.00 64.05 60.17 1sjg n THR 102 Cb 0.48 0.53 -0.13 0.00 -1.55 0.00 0.00 70.33 69.66 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 -0.59 3.39 0.00 1.09 2.47 -1.24 -4.40 119.74 120.45 1sjg s LYS 103 Ca 0.05 -0.65 0.00 0.00 -1.56 0.00 0.00 55.97 53.82 1sjg s LYS 103 Cb 0.05 -3.26 0.00 0.00 -1.46 0.00 0.00 37.83 33.15 1sjg s LYS 103 CO 0.00 -0.28 0.00 0.41 0.16 0.00 0.00 175.35 175.65 1sjg n GLY 104 N 4.87 1.27 3.73 5.54 0.00 -1.26 -4.96 105.19 114.38 1sjg n GLY 104 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.07 5.13 -0.21 -0.61 1.01 -1.26 -5.03 121.20 117.16 1sjg s ILE 105 Ca 0.00 1.09 -0.29 0.00 0.00 0.00 0.00 60.65 61.45 1sjg s ILE 105 Cb 0.00 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.60 1sjg s ILE 105 CO 0.00 0.32 1.11 -0.22 0.00 0.00 0.00 174.94 176.15 1sjg s LEU 106 N 0.58 4.12 0.45 2.97 2.96 -1.26 -5.03 118.68 123.48 1sjg s LEU 106 Ca 0.29 1.48 -0.23 0.00 -0.22 0.00 0.00 54.13 55.45 1sjg s LEU 106 Cb -0.16 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.92 1sjg s LEU 106 CO 0.13 -0.70 1.18 -2.16 -1.32 0.00 0.00 176.35 173.48 1sjg s PRO 107 N 3.30 3.77 0.81 0.98 0.04 -1.26 -4.90 135.00 137.73 1sjg s PRO 107 Ca 0.47 1.83 -0.05 0.00 0.04 0.00 0.00 61.00 63.29 1sjg s PRO 107 Cb -0.17 -2.45 0.16 0.00 0.04 0.00 0.00 34.50 32.08 1sjg s PRO 107 CO 0.09 -0.56 1.11 -0.80 0.04 0.00 0.00 177.00 176.87 1sjg s ASN 108 N -1.28 3.88 -0.55 6.66 0.01 -1.26 -4.92 114.94 117.47 1sjg s ASN 108 Ca 0.63 -0.28 -0.27 0.00 -0.71 0.00 0.00 52.86 52.23 1sjg s ASN 108 Cb -0.30 0.07 -0.03 0.00 0.41 0.00 0.00 41.25 41.40 1sjg s ASN 108 CO 0.37 -2.20 1.95 -0.54 -1.51 0.00 0.00 177.10 175.17 1sjg s LYS 109 N -5.38 2.63 0.00 -0.60 3.01 -1.24 -2.37 119.74 115.79 1sjg s LYS 109 Ca 0.70 0.87 0.00 0.00 -1.01 0.00 0.00 55.97 56.52 1sjg s LYS 109 Cb -0.04 -4.40 0.00 0.00 -1.01 0.00 0.00 37.83 32.38 1sjg s LYS 109 CO 0.47 -2.71 0.00 0.00 0.51 0.00 0.00 175.35 173.62 1sjg n ALA 110 N 12.99 0.00 -0.81 5.17 0.00 -1.26 -0.50 120.51 136.10 1sjg n ALA 110 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1sjg n ALA 110 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 0.00 -1.31 -1.12 0.00 -0.00 -1.00 -4.65 115.22 107.15 1sjg n HIS 111 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1sjg n HIS 111 Cb 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 29.99 30.19 1sjg n HIS 111 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77