#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 -4.56 6.12 2.88 -1.26 -4.89 113.62 111.90 1sjg n SER 2 Ca 0.00 -0.40 -0.38 0.00 -1.33 0.00 0.00 58.87 56.76 1sjg n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1sjg n SER 2 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1sjg n PHE 3 N 0.00 1.56 -4.34 0.66 3.72 -1.25 -4.41 117.46 113.40 1sjg n PHE 3 Ca 0.00 0.06 -0.29 0.00 -0.05 0.00 0.00 57.45 57.17 1sjg n PHE 3 Cb 0.00 -2.66 -0.12 0.00 -0.94 0.00 0.00 39.48 35.76 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 7.76 1.64 -0.31 -1.08 2.56 -0.17 -4.79 118.70 124.30 1sjg s GLU 4 Ca 1.00 -1.26 -0.29 0.00 0.00 0.00 0.00 54.97 54.42 1sjg s GLU 4 Cb -0.24 -2.03 0.01 0.00 2.00 0.00 0.00 34.13 33.87 1sjg s GLU 4 CO 0.29 0.46 1.22 0.21 -0.56 0.00 0.00 175.26 176.89 1sjg s LYS 5 N -2.15 3.96 -0.18 4.30 2.20 -1.26 -0.55 119.74 126.06 1sjg s LYS 5 Ca 0.17 1.16 0.07 0.00 -0.36 0.00 0.00 55.97 57.01 1sjg s LYS 5 Cb -0.10 -3.83 -0.22 0.00 -1.51 0.00 0.00 37.83 32.16 1sjg s LYS 5 CO 0.09 -1.06 0.13 1.51 -0.36 0.00 0.00 175.35 175.66 1sjg n ILE 6 N 6.12 1.54 -2.77 5.43 0.13 -0.98 -4.98 119.36 123.84 1sjg n ILE 6 Ca 0.14 -0.71 0.00 0.00 -1.10 0.00 0.00 62.75 61.07 1sjg n ILE 6 Cb 0.47 -1.13 0.00 0.00 -0.84 0.00 0.00 39.64 38.14 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 0.03 2.07 0.33 0.00 0.01 -1.26 -1.11 113.70 113.77 1sjg s SER 8 Ca 0.00 -0.62 0.04 0.00 1.31 0.00 0.00 55.95 56.68 1sjg s SER 8 Cb 0.00 -0.10 0.58 0.00 0.21 0.00 0.00 66.02 66.71 1sjg s SER 8 CO 0.00 0.01 1.87 0.25 0.41 0.00 0.00 173.24 175.78 1sjg h LEU 9 N 4.33 0.52 -1.96 2.44 7.12 -0.89 -1.31 115.31 125.55 1sjg h LEU 9 Ca -0.43 -0.10 -0.02 0.00 0.13 0.00 0.00 57.88 57.47 1sjg h LEU 9 Cb 1.18 -0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 41.17 1sjg h LEU 9 CO 0.41 0.58 -0.08 -0.78 -0.13 0.00 0.00 178.44 178.43 1sjg h ASP 10 N 0.53 0.00 0.08 1.25 3.58 -1.77 -3.02 116.42 117.07 1sjg h ASP 10 Ca 0.12 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.39 1sjg h ASP 10 Cb 0.33 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.38 1sjg h ASP 10 CO 0.01 0.08 -0.87 -0.78 -2.88 0.00 0.00 179.24 174.80 1sjg h ASP 11 N 0.00 0.25 -3.68 2.28 3.58 -1.51 -3.43 116.42 113.91 1sjg h ASP 11 Ca -0.00 -0.86 -0.68 0.00 0.42 0.00 0.00 57.03 55.90 1sjg h ASP 11 Cb 0.34 -0.08 -0.20 0.00 1.72 0.00 0.00 39.33 41.11 1sjg h ASP 11 CO 0.01 1.38 -0.48 0.27 -2.88 0.00 0.00 179.24 177.54 1sjg s ILE 12 N -2.38 5.18 0.74 2.25 -4.36 -0.94 -5.05 121.20 116.64 1sjg s ILE 12 Ca -0.19 -0.30 -0.10 0.00 -0.26 0.00 0.00 60.65 59.80 1sjg s ILE 12 Cb 0.02 -3.69 0.06 0.00 1.25 0.00 0.00 42.46 40.10 1sjg s ILE 12 CO 0.74 -0.03 1.09 0.26 0.24 0.00 0.00 174.94 177.23 1sjg s TRP 13 N 1.70 3.03 0.05 1.37 0.52 -1.26 -4.77 118.94 119.58 1sjg s TRP 13 Ca 0.06 0.70 -0.30 0.00 0.02 0.00 0.00 56.10 56.57 1sjg s TRP 13 Cb -0.18 -3.26 -0.09 0.00 -1.15 0.00 0.00 33.47 28.80 1sjg s TRP 13 CO 0.10 -1.47 1.83 0.54 0.02 0.00 0.00 176.95 177.97 1sjg s VAL 14 N -3.38 2.99 0.00 4.03 0.11 -1.26 -0.56 120.40 122.33 1sjg s VAL 14 Ca 0.60 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.86 1sjg s VAL 14 Cb -0.11 -3.14 0.00 0.00 -1.53 0.00 0.00 36.38 31.61 1sjg s VAL 14 CO 0.48 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.85 1sjg n GLY 15 N 4.32 0.67 3.77 6.54 0.00 0.75 -5.01 105.19 116.23 1sjg n GLY 15 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.71 3.43 0.01 1.61 0.41 0.27 -4.78 118.70 118.94 1sjg s GLU 16 Ca 0.00 -0.25 0.01 0.00 -0.41 0.00 0.00 54.97 54.32 1sjg s GLU 16 Cb 0.00 -3.09 -0.01 0.00 -1.78 0.00 0.00 34.13 29.25 1sjg s GLU 16 CO 0.00 0.65 -0.04 0.00 -0.49 0.00 0.00 175.26 175.37 1sjg s MET 17 N -0.68 0.34 0.05 1.61 0.23 -1.26 -1.72 119.30 117.86 1sjg s MET 17 Ca 0.12 -0.31 -0.23 0.00 -1.03 0.00 0.00 55.69 54.24 1sjg s MET 17 Cb -0.12 -0.25 0.05 0.00 -1.53 0.00 0.00 34.83 32.99 1sjg s MET 17 CO 0.02 0.06 0.53 -2.00 -2.03 0.00 0.00 175.02 171.60 1sjg s GLU 18 N -0.54 1.04 -0.19 3.16 2.56 -0.79 -4.77 118.70 119.16 1sjg s GLU 18 Ca -0.03 -0.22 -0.09 0.00 0.00 0.00 0.00 54.97 54.63 1sjg s GLU 18 Cb -0.04 0.48 -0.05 0.00 2.00 0.00 0.00 34.13 36.52 1sjg s GLU 18 CO -0.00 -0.37 0.11 0.99 -0.56 0.00 0.00 175.26 175.43 1sjg s THR 19 N -2.42 5.26 0.14 -1.70 2.01 -1.26 -0.09 115.64 117.59 1sjg s THR 19 Ca -0.05 0.14 0.09 0.00 0.31 0.00 0.00 61.69 62.18 1sjg s THR 19 Cb -0.01 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 1sjg s THR 19 CO -0.01 0.46 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.80 1sjg s PHE 20 N 0.23 2.00 -0.05 4.92 0.08 0.49 -4.92 117.98 120.73 1sjg s PHE 20 Ca 0.08 -0.41 0.05 0.00 0.12 0.00 0.00 56.93 56.76 1sjg s PHE 20 Cb -0.11 -1.04 -0.02 0.00 -0.57 0.00 0.00 43.02 41.27 1sjg s PHE 20 CO -0.01 0.32 -0.20 -2.00 -0.10 0.00 0.00 175.22 173.23 1sjg s GLU 21 N -2.32 2.44 0.78 0.44 2.12 -1.26 -0.23 118.70 120.69 1sjg s GLU 21 Ca 0.13 -0.81 -0.09 0.00 0.36 0.00 0.00 54.97 54.56 1sjg s GLU 21 Cb -0.08 -2.25 0.10 0.00 0.26 0.00 0.00 34.13 32.16 1sjg s GLU 21 CO 0.06 0.53 1.11 0.95 -0.54 0.00 0.00 175.26 177.38 1sjg s THR 22 N -0.52 2.14 0.43 -1.70 -4.23 0.26 -4.90 115.64 107.13 1sjg s THR 22 Ca 0.07 -0.20 0.23 0.00 -1.18 0.00 0.00 61.69 60.61 1sjg s THR 22 Cb -0.11 -2.95 0.25 0.00 1.34 0.00 0.00 72.50 71.03 1sjg s THR 22 CO 0.01 0.00 2.04 0.77 -0.54 0.00 0.00 174.62 176.90 1sjg h SER 23 N -0.91 0.00 1.13 3.99 4.64 -2.00 -1.50 113.55 118.89 1sjg h SER 23 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1sjg h SER 23 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1sjg h SER 23 CO 0.54 0.14 -0.09 -0.67 -0.87 0.00 0.00 176.83 175.88 1sjg n ASP 24 N -3.86 0.41 0.00 4.97 2.03 -1.26 -4.89 116.55 113.94 1sjg n ASP 24 Ca -0.02 0.43 0.00 0.00 0.52 0.00 0.00 54.79 55.72 1sjg n ASP 24 Cb 0.24 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 1sjg n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sjg n GLY 25 N 1.41 1.11 3.60 0.27 0.00 -0.56 -5.06 105.19 105.96 1sjg n GLY 25 Ca 0.06 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 4.93 -0.20 2.61 2.01 -1.26 -4.81 115.64 116.92 1sjg s THR 26 Ca 0.00 0.83 -0.20 0.00 0.31 0.00 0.00 61.69 62.63 1sjg s THR 26 Cb 0.00 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 1sjg s THR 26 CO 0.00 -0.17 0.60 -1.61 -0.69 0.00 0.00 174.62 172.76 1sjg s GLU 27 N 2.63 4.21 -0.02 4.92 2.02 -1.26 -0.57 118.70 130.62 1sjg s GLU 27 Ca 0.25 0.57 0.05 0.00 0.02 0.00 0.00 54.97 55.86 1sjg s GLU 27 Cb -0.15 -3.57 -0.01 0.00 0.10 0.00 0.00 34.13 30.50 1sjg s GLU 27 CO 0.12 -0.21 -0.16 0.08 0.02 0.00 0.00 175.26 175.11 1sjg s VAL 28 N 1.83 1.30 -0.22 2.63 1.01 0.69 -0.34 120.40 127.29 1sjg s VAL 28 Ca 0.28 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.41 1sjg s VAL 28 Cb -0.16 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1sjg s VAL 28 CO 0.10 0.37 0.45 -1.48 0.00 0.00 0.00 175.10 174.55 1sjg s LEU 29 N -0.18 4.12 -0.29 3.92 0.05 0.83 -0.38 118.68 126.74 1sjg s LEU 29 Ca 0.02 0.54 -0.06 0.00 0.05 0.00 0.00 54.13 54.68 1sjg s LEU 29 Cb -0.08 -2.59 0.01 0.00 -2.05 0.00 0.00 46.19 41.48 1sjg s LEU 29 CO 0.00 -0.16 0.06 -0.63 -0.55 0.00 0.00 176.35 175.07 1sjg s ILE 30 N 1.69 3.79 -0.14 1.48 -1.09 0.87 -2.00 121.20 125.80 1sjg s ILE 30 Ca 0.20 -0.77 0.02 0.00 -2.23 0.00 0.00 60.65 57.87 1sjg s ILE 30 Cb -0.15 -2.97 0.01 0.00 -1.58 0.00 0.00 42.46 37.77 1sjg s ILE 30 CO 0.09 0.08 -0.21 -0.69 -1.23 0.00 0.00 174.94 172.98 1sjg s VAL 31 N 1.47 2.19 -0.53 2.92 1.01 -0.47 -1.89 120.40 125.09 1sjg s VAL 31 Ca 0.02 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 60.83 1sjg s VAL 31 Cb -0.17 -1.88 0.04 0.00 0.00 0.00 0.00 36.38 34.37 1sjg s VAL 31 CO 0.01 0.54 0.87 0.21 0.00 0.00 0.00 175.10 176.74 1sjg s ASN 32 N 0.74 6.33 0.06 3.32 3.84 -0.70 -0.97 114.94 127.56 1sjg s ASN 32 Ca -0.08 -0.41 -0.01 0.00 0.21 0.00 0.00 52.86 52.56 1sjg s ASN 32 Cb -0.16 -2.41 -0.04 0.00 -0.55 0.00 0.00 41.25 38.09 1sjg s ASN 32 CO -0.00 -1.14 0.22 -0.44 -2.79 0.00 0.00 177.10 172.95 1sjg s SER 33 N 2.74 6.38 -0.09 -4.21 0.01 -0.47 -0.18 113.70 117.88 1sjg s SER 33 Ca 0.28 0.32 -0.28 0.00 1.31 0.00 0.00 55.95 57.58 1sjg s SER 33 Cb -0.14 -1.98 -0.23 0.00 0.21 0.00 0.00 66.02 63.88 1sjg s SER 33 CO 0.18 0.17 1.00 -0.08 0.41 0.00 0.00 173.24 174.92 1sjg h GLU 34 N 3.18 -0.00 0.06 12.44 4.57 -1.95 -2.71 114.58 130.17 1sjg h GLU 34 Ca -0.46 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.41 1sjg h GLU 34 Cb 1.16 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.73 1sjg h GLU 34 CO 0.75 0.76 -1.69 -1.91 -1.18 0.00 0.00 179.01 175.73 1sjg n GLU 35 N -4.72 0.66 0.09 1.92 0.00 -1.26 -4.31 120.64 113.01 1sjg n GLU 35 Ca -0.09 0.41 0.12 0.00 0.00 0.00 0.00 57.16 57.60 1sjg n GLU 35 Cb 0.37 -1.71 0.28 0.00 0.00 0.00 0.00 31.44 30.38 1sjg n GLU 35 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1sjg h HIS 36 N -0.47 0.00 0.00 4.31 2.76 -2.00 -3.50 115.15 116.26 1sjg h HIS 36 Ca -0.41 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.76 1sjg h HIS 36 Cb 1.68 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.64 1sjg h HIS 36 CO 0.08 0.00 0.00 0.41 -1.30 0.00 0.00 177.93 177.12 1sjg n GLY 37 N 1.32 -2.12 3.68 5.26 0.00 -1.02 -4.81 105.19 107.49 1sjg n GLY 37 Ca 0.04 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.15 4.51 0.09 1.61 1.01 -1.26 -1.37 120.40 124.83 1sjg s VAL 38 Ca 0.00 1.81 0.06 0.00 0.00 0.00 0.00 61.98 63.85 1sjg s VAL 38 Cb 0.00 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1sjg s VAL 38 CO 0.00 -0.06 -0.17 -0.54 0.00 0.00 0.00 175.10 174.33 1sjg s LYS 39 N 2.57 0.96 -0.16 2.72 -0.14 -0.14 -4.87 119.74 120.68 1sjg s LYS 39 Ca 0.51 -1.07 0.00 0.00 -1.36 0.00 0.00 55.97 54.06 1sjg s LYS 39 Cb -0.20 -1.07 0.03 0.00 -1.68 0.00 0.00 37.83 34.91 1sjg s LYS 39 CO 0.16 0.24 -0.14 0.00 -0.76 0.00 0.00 175.35 174.85 1sjg s ALA 40 N -1.31 1.90 0.17 5.17 0.00 -1.26 -1.37 121.76 125.06 1sjg s ALA 40 Ca 0.02 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 51.08 1sjg s ALA 40 Cb -0.10 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 1sjg s ALA 40 CO 0.03 -0.44 -0.13 0.71 0.00 0.00 0.00 175.76 175.93 1sjg s TYR 41 N 1.46 1.51 0.35 0.00 1.51 -0.85 -2.28 117.35 119.05 1sjg s TYR 41 Ca 0.04 -0.62 -0.29 0.00 -1.01 0.00 0.00 57.07 55.19 1sjg s TYR 41 Cb -0.13 -0.74 -0.11 0.00 -0.11 0.00 0.00 41.96 40.87 1sjg s TYR 41 CO -0.11 0.22 1.54 -0.65 -1.11 0.00 0.00 175.55 175.44 1sjg s GLN 42 N -3.42 4.10 0.00 -0.62 -1.52 -1.26 -0.12 119.66 116.82 1sjg s GLN 42 Ca 0.17 2.59 0.15 0.00 -1.95 0.00 0.00 55.36 56.33 1sjg s GLN 42 Cb -0.01 -2.98 -0.04 0.00 -0.22 0.00 0.00 33.01 29.76 1sjg s GLN 42 CO 0.04 -0.59 0.79 0.00 -0.25 0.00 0.00 175.29 175.28 1sjg n ALA 43 N 1.07 3.29 -2.71 6.09 0.00 0.54 -4.56 120.51 124.23 1sjg n ALA 43 Ca 0.04 -0.50 -0.43 0.00 0.00 0.00 0.00 53.44 52.54 1sjg n ALA 43 Cb 0.38 -0.54 -0.05 0.00 0.00 0.00 0.00 19.45 19.25 1sjg n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sjg s MET 44 N -1.94 3.24 -0.43 0.00 0.23 -1.26 -4.65 119.30 114.50 1sjg s MET 44 Ca 0.11 -0.52 -0.29 0.00 -1.03 0.00 0.00 55.69 53.96 1sjg s MET 44 Cb 0.12 -4.09 0.03 0.00 -1.53 0.00 0.00 34.83 29.36 1sjg s MET 44 CO 0.43 -1.44 1.10 0.00 -2.03 0.00 0.00 175.02 173.08 1sjg n PRO 46 N 7.53 1.42 0.00 0.00 -0.04 -1.26 -4.43 135.00 138.21 1sjg n PRO 46 Ca 0.11 -0.83 0.00 0.00 -0.04 0.00 0.00 63.50 62.75 1sjg n PRO 46 Cb 0.48 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1sjg n PRO 46 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1sjg n HIS 47 N 0.81 0.00 -3.64 0.54 8.25 -1.26 -4.98 115.22 114.94 1sjg n HIS 47 Ca 0.16 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.59 1sjg n HIS 47 Cb 0.57 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.61 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 -0.30 0.36 -0.27 -0.41 2.00 -1.26 -5.06 119.66 114.72 1sjg s GLN 48 Ca 0.00 0.59 -0.04 0.00 -2.00 0.00 0.00 55.36 53.90 1sjg s GLN 48 Cb 0.00 0.09 0.01 0.00 0.80 0.00 0.00 33.01 33.91 1sjg s GLN 48 CO 0.00 -0.07 0.16 0.39 -0.50 0.00 0.00 175.29 175.28 1sjg n GLU 49 N 3.37 -2.42 -3.15 1.67 1.02 -1.26 -4.67 120.64 115.20 1sjg n GLU 49 Ca -0.17 2.10 -0.44 0.00 -0.02 0.00 0.00 57.16 58.64 1sjg n GLU 49 Cb 0.57 -4.53 -0.06 0.00 -0.02 0.00 0.00 31.44 27.40 1sjg n GLU 49 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1sjg s ILE 50 N -1.62 4.87 -0.37 -3.67 2.07 -1.26 -4.13 121.20 117.10 1sjg s ILE 50 Ca 0.07 -0.38 0.12 0.00 -1.41 0.00 0.00 60.65 59.05 1sjg s ILE 50 Cb -0.02 -4.27 0.41 0.00 0.13 0.00 0.00 42.46 38.71 1sjg s ILE 50 CO 0.61 -0.76 1.26 -0.11 -1.91 0.00 0.00 174.94 174.03 1sjg n LEU 51 N 6.17 -0.93 -0.31 8.50 7.94 -1.26 -5.00 117.00 132.11 1sjg n LEU 51 Ca -0.06 -3.49 0.06 0.00 -1.11 0.00 0.00 56.01 51.41 1sjg n LEU 51 Cb 0.46 0.14 0.26 0.00 0.53 0.00 0.00 43.42 44.81 1sjg n LEU 51 CO 0.54 1.77 1.24 0.25 -1.11 0.00 0.00 177.39 180.08 1sjg h LEU 52 N 2.19 0.88 -1.17 -1.96 7.12 -1.83 -2.70 115.31 117.83 1sjg h LEU 52 Ca -0.24 0.02 -0.09 0.00 0.13 0.00 0.00 57.88 57.70 1sjg h LEU 52 Cb 1.27 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 41.23 1sjg h LEU 52 CO 0.07 0.52 -0.41 0.77 -0.13 0.00 0.00 178.44 179.27 1sjg h SER 53 N 0.97 0.00 -0.12 1.25 4.64 -1.89 -1.27 113.55 117.13 1sjg h SER 53 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1sjg h SER 53 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1sjg h SER 53 CO -0.19 0.41 0.00 -0.62 -0.87 0.00 0.00 176.83 175.56 1sjg n GLU 54 N -3.98 1.64 0.00 4.77 -0.58 -1.02 -4.48 120.64 116.99 1sjg n GLU 54 Ca -0.02 -0.59 0.00 0.00 -0.42 0.00 0.00 57.16 56.13 1sjg n GLU 54 Cb 0.44 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 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 0.30 0.80 3.32 0.62 0.00 -0.48 -4.97 105.19 104.77 1sjg n GLY 55 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 1sjg n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sjg s SER 56 N -1.00 -0.31 -0.21 1.61 0.01 -0.96 -4.99 113.70 107.85 1sjg s SER 56 Ca 0.00 0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.46 1sjg s SER 56 Cb 0.00 0.39 0.04 0.00 0.21 0.00 0.00 66.02 66.66 1sjg s SER 56 CO 0.00 -0.55 -0.16 -0.47 0.41 0.00 0.00 173.24 172.48 1sjg s TYR 57 N -1.66 2.86 0.42 2.43 5.04 -1.26 -2.01 117.35 123.17 1sjg s TYR 57 Ca -0.10 -1.83 0.07 0.00 -2.44 0.00 0.00 57.07 52.76 1sjg s TYR 57 Cb -0.03 -1.87 -0.06 0.00 0.35 0.00 0.00 41.96 40.35 1sjg s TYR 57 CO 0.03 -0.82 0.09 -1.21 -1.34 0.00 0.00 175.55 172.31 1sjg s GLU 58 N 1.25 2.10 -0.26 4.97 2.02 0.04 -5.01 118.70 123.81 1sjg s GLU 58 Ca -0.00 -2.02 -0.27 0.00 0.02 0.00 0.00 54.97 52.70 1sjg s GLU 58 Cb -0.16 -1.79 -0.30 0.00 0.10 0.00 0.00 34.13 31.99 1sjg s GLU 58 CO -0.10 -0.12 1.69 0.41 0.02 0.00 0.00 175.26 177.16 1sjg n GLY 59 N -1.12 1.24 0.00 -1.39 0.00 -1.26 -2.46 105.19 100.19 1sjg n GLY 59 Ca -0.04 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 4.81 0.74 3.08 -0.02 0.00 -1.26 -5.02 105.19 107.51 1sjg n GLY 60 Ca 0.47 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.20 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 1.51 -0.07 1.61 1.01 -1.03 -0.29 120.40 121.14 1sjg s VAL 61 Ca 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1sjg s VAL 61 Cb 0.00 -1.36 -0.00 0.00 0.00 0.00 0.00 36.38 35.01 1sjg s VAL 61 CO 0.00 0.44 -0.21 -0.63 0.00 0.00 0.00 175.10 174.70 1sjg s ILE 62 N 0.80 1.77 -0.13 2.22 -1.09 -0.36 -0.78 121.20 123.64 1sjg s ILE 62 Ca -0.10 -0.88 -0.06 0.00 -2.23 0.00 0.00 60.65 57.37 1sjg s ILE 62 Cb -0.16 -1.53 -0.04 0.00 -1.58 0.00 0.00 42.46 39.16 1sjg s ILE 62 CO 0.01 0.50 0.10 -0.89 -1.23 0.00 0.00 174.94 173.43 1sjg s THR 63 N 0.16 5.18 0.00 2.92 2.01 -0.85 -0.76 115.64 124.30 1sjg s THR 63 Ca -0.10 0.09 0.00 0.00 0.31 0.00 0.00 61.69 61.99 1sjg s THR 63 Cb -0.15 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.09 1sjg s THR 63 CO 0.05 0.57 0.08 0.00 -0.69 0.00 0.00 174.62 174.63 1sjg n ARG 65 N -1.42 0.00 0.28 0.00 3.00 -1.26 -3.26 116.66 114.00 1sjg n ARG 65 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.71 1sjg n ARG 65 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.39 1sjg n ARG 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1sjg h ALA 66 N 0.00 -0.74 -2.07 5.13 0.00 -1.83 -3.36 119.26 116.39 1sjg h ALA 66 Ca 0.00 -0.19 -0.56 0.00 0.00 0.00 0.00 54.91 54.15 1sjg h ALA 66 Cb 0.00 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1sjg h ALA 66 CO 0.00 -0.75 1.08 -1.01 0.00 0.00 0.00 179.25 178.57 1sjg s HIS 67 N -4.62 2.23 -1.07 0.00 3.76 -1.26 -4.83 115.29 109.50 1sjg s HIS 67 Ca -0.14 0.58 0.05 0.00 -0.15 0.00 0.00 55.06 55.40 1sjg s HIS 67 Cb 0.02 -3.92 0.23 0.00 1.11 0.00 0.00 32.58 30.02 1sjg s HIS 67 CO 0.46 -2.79 0.94 -0.11 -0.85 0.00 0.00 174.74 172.39 1sjg n LEU 68 N 7.99 2.13 -5.00 0.89 7.94 -1.26 -3.77 117.00 125.92 1sjg n LEU 68 Ca 0.18 -1.07 -0.23 0.00 -1.11 0.00 0.00 56.01 53.78 1sjg n LEU 68 Cb 0.45 -0.46 0.10 0.00 0.53 0.00 0.00 43.42 44.04 1sjg n LEU 68 CO 0.63 0.35 0.50 0.26 -1.11 0.00 0.00 177.39 178.02 1sjg s TRP 69 N -1.57 1.63 -0.00 1.96 0.52 -1.26 -4.99 118.94 115.23 1sjg s TRP 69 Ca 0.16 -0.34 0.04 0.00 0.02 0.00 0.00 56.10 55.98 1sjg s TRP 69 Cb 0.11 -2.83 -0.01 0.00 -1.15 0.00 0.00 33.47 29.59 1sjg s TRP 69 CO 0.06 -1.56 -0.13 0.95 0.02 0.00 0.00 176.95 176.29 1sjg s THR 70 N -3.03 1.06 0.15 2.01 -4.23 -1.19 -3.88 115.64 106.53 1sjg s THR 70 Ca 0.65 -0.63 0.05 0.00 -1.18 0.00 0.00 61.69 60.58 1sjg s THR 70 Cb -0.06 -0.89 -0.04 0.00 1.34 0.00 0.00 72.50 72.85 1sjg s THR 70 CO 0.43 0.26 0.13 0.72 -0.54 0.00 0.00 174.62 175.61 1sjg s PHE 71 N -0.39 3.15 -0.32 3.99 -0.12 0.06 -2.59 117.98 121.77 1sjg s PHE 71 Ca 0.05 -0.00 -0.18 0.00 -0.05 0.00 0.00 56.93 56.75 1sjg s PHE 71 Cb -0.05 -1.53 -0.01 0.00 -0.63 0.00 0.00 43.02 40.79 1sjg s PHE 71 CO -0.00 0.52 0.49 1.21 -0.05 0.00 0.00 175.22 177.39 1sjg s ASN 72 N -2.97 6.33 0.30 1.98 3.84 -0.69 -1.22 114.94 122.52 1sjg s ASN 72 Ca 0.31 0.12 0.10 0.00 0.21 0.00 0.00 52.86 53.60 1sjg s ASN 72 Cb -0.10 -2.26 0.47 0.00 -0.55 0.00 0.00 41.25 38.80 1sjg s ASN 72 CO 0.23 -0.40 1.68 -0.78 -2.79 0.00 0.00 177.10 175.04 1sjg h ASP 73 N 8.33 0.05 -0.34 -4.21 3.58 -0.95 0.42 116.42 123.30 1sjg h ASP 73 Ca -0.29 -0.02 -0.18 0.00 0.42 0.00 0.00 57.03 56.96 1sjg h ASP 73 Cb 1.13 -0.01 -0.10 0.00 1.72 0.00 0.00 39.33 42.06 1sjg h ASP 73 CO 0.74 0.56 0.23 0.61 -2.88 0.00 0.00 179.24 178.51 1sjg n GLY 74 N -0.02 2.97 0.84 -0.78 0.00 -1.20 -3.74 105.19 103.26 1sjg n GLY 74 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 0.05 0.00 -0.00 2.61 -1.04 -1.09 -5.04 114.28 109.77 1sjg n THR 75 Ca 0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 1sjg n THR 75 Cb 0.85 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 69.32 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 -1.01 0.51 3.72 3.41 0.00 0.15 -5.02 105.19 106.95 1sjg n GLY 76 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.18 3.10 0.24 1.61 3.76 -1.23 0.34 115.29 120.93 1sjg s HIS 77 Ca 0.00 0.05 -0.30 0.00 -0.15 0.00 0.00 55.06 54.67 1sjg s HIS 77 Cb 0.00 -1.61 -0.09 0.00 1.11 0.00 0.00 32.58 31.99 1sjg s HIS 77 CO 0.00 0.49 1.17 0.20 -0.85 0.00 0.00 174.74 175.76 1sjg s GLY 78 N -2.10 2.88 -0.00 -2.22 0.00 0.02 -1.70 107.32 104.20 1sjg s GLY 78 Ca 0.25 0.97 -0.20 0.00 0.00 0.00 0.00 44.72 45.75 1sjg s GLY 78 CO 0.17 1.72 1.04 -2.22 0.00 0.00 0.00 173.10 173.81 1sjg h ILE 79 N 3.39 1.43 -1.93 0.90 2.04 -1.80 -3.40 117.51 118.14 1sjg h ILE 79 Ca -0.46 -2.28 0.06 0.00 1.00 0.00 0.00 64.86 63.19 1sjg h ILE 79 Cb 1.21 2.80 -0.21 0.00 -0.74 0.00 0.00 36.82 39.88 1sjg h ILE 79 CO 0.70 0.66 -0.03 0.21 0.00 0.00 0.00 178.15 179.69 1sjg s ASN 80 N -6.92 -1.02 0.88 1.72 2.47 -1.17 -4.44 114.94 106.47 1sjg s ASN 80 Ca -0.13 1.49 -0.12 0.00 0.42 0.00 0.00 52.86 54.52 1sjg s ASN 80 Cb 0.03 1.87 0.12 0.00 -1.45 0.00 0.00 41.25 41.83 1sjg s ASN 80 CO 0.84 -0.22 1.10 -2.84 -3.72 0.00 0.00 177.10 172.26 1sjg s PRO 81 N 2.32 1.36 0.02 0.43 0.02 -1.26 -3.14 135.00 134.75 1sjg s PRO 81 Ca -0.08 0.66 0.24 0.00 0.02 0.00 0.00 61.00 61.84 1sjg s PRO 81 Cb -0.09 -1.83 0.26 0.00 0.02 0.00 0.00 34.50 32.86 1sjg s PRO 81 CO -0.19 -2.13 1.23 -0.40 -0.33 0.00 0.00 177.00 175.18 1sjg n ASP 82 N -3.78 0.62 0.01 2.53 5.75 -1.26 -3.95 116.55 116.47 1sjg n ASP 82 Ca 0.07 -0.33 0.13 0.00 -0.01 0.00 0.00 54.79 54.66 1sjg n ASP 82 Cb 0.56 0.49 0.51 0.00 -1.03 0.00 0.00 41.12 41.65 1sjg n ASP 82 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1sjg n ASP 83 N -1.67 0.22 -4.51 -1.12 5.75 -1.26 -4.70 116.55 109.26 1sjg n ASP 83 Ca 0.04 0.36 -0.34 0.00 -0.01 0.00 0.00 54.79 54.84 1sjg n ASP 83 Cb 0.37 -0.37 -0.12 0.00 -1.03 0.00 0.00 41.12 39.97 1sjg n ASP 83 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sjg s LEU 86 N -2.48 1.95 -0.02 0.00 1.43 0.15 -4.40 118.68 115.32 1sjg s LEU 86 Ca -0.00 -1.74 -0.01 0.00 -1.03 0.00 0.00 54.13 51.35 1sjg s LEU 86 Cb 0.01 0.04 0.00 0.00 0.03 0.00 0.00 46.19 46.27 1sjg s LEU 86 CO -0.08 -1.00 0.04 0.00 0.23 0.00 0.00 176.35 175.54 1sjg s ALA 87 N -3.21 -0.09 -0.54 4.21 0.00 -1.26 -4.59 121.76 116.26 1sjg s ALA 87 Ca 0.25 0.12 -0.20 0.00 0.00 0.00 0.00 51.96 52.12 1sjg s ALA 87 Cb 0.02 -0.07 0.06 0.00 0.00 0.00 0.00 23.12 23.13 1sjg s ALA 87 CO 0.17 -0.02 0.73 -1.83 0.00 0.00 0.00 175.76 174.81 1sjg s GLU 88 N 0.06 3.15 0.50 0.00 -1.05 -1.26 -3.98 118.70 116.11 1sjg s GLU 88 Ca -0.00 -0.84 -0.03 0.00 -0.15 0.00 0.00 54.97 53.95 1sjg s GLU 88 Cb -0.01 -4.13 -0.01 0.00 -0.44 0.00 0.00 34.13 29.55 1sjg s GLU 88 CO -0.00 -1.38 0.76 1.52 0.95 0.00 0.00 175.26 177.11 1sjg s TYR 89 N 3.02 3.31 -0.08 4.83 1.13 -0.97 -4.97 117.35 123.63 1sjg s TYR 89 Ca 0.18 0.48 -0.33 0.00 -1.41 0.00 0.00 57.07 55.98 1sjg s TYR 89 Cb -0.19 -2.43 -0.11 0.00 -1.10 0.00 0.00 41.96 38.14 1sjg s TYR 89 CO 0.12 -0.47 1.92 -2.30 -2.51 0.00 0.00 175.55 172.31 1sjg n PRO 90 N -2.26 2.26 -4.35 -3.49 -0.02 -1.24 -4.45 135.00 121.45 1sjg n PRO 90 Ca 0.02 0.82 -0.24 0.00 -2.02 0.00 0.00 63.50 62.08 1sjg n PRO 90 Cb 0.57 -2.71 -0.17 0.00 -0.02 0.00 0.00 33.50 31.17 1sjg n PRO 90 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1sjg s VAL 91 N 4.34 1.00 -0.13 -1.45 0.11 -1.26 -0.90 120.40 122.10 1sjg s VAL 91 Ca 0.93 -0.37 0.00 0.00 -2.93 0.00 0.00 61.98 59.61 1sjg s VAL 91 Cb -0.65 -0.96 -0.01 0.00 -1.53 0.00 0.00 36.38 33.23 1sjg s VAL 91 CO 0.50 0.34 -0.14 -0.70 -3.33 0.00 0.00 175.10 171.76 1sjg s GLU 92 N 0.96 3.32 -0.15 1.54 2.12 0.13 -4.99 118.70 121.63 1sjg s GLU 92 Ca -0.09 -0.71 -0.15 0.00 0.36 0.00 0.00 54.97 54.37 1sjg s GLU 92 Cb -0.15 -2.61 -0.04 0.00 0.26 0.00 0.00 34.13 31.59 1sjg s GLU 92 CO 0.00 0.16 0.35 0.54 -0.54 0.00 0.00 175.26 175.78 1sjg s VAL 93 N 0.46 5.26 0.07 3.70 0.11 -1.26 -1.48 120.40 127.27 1sjg s VAL 93 Ca -0.10 0.67 0.09 0.00 -2.93 0.00 0.00 61.98 59.71 1sjg s VAL 93 Cb -0.16 -3.69 -0.03 0.00 -1.53 0.00 0.00 36.38 30.97 1sjg s VAL 93 CO 0.05 0.36 -0.23 -0.54 -3.33 0.00 0.00 175.10 171.40 1sjg s LYS 94 N 0.62 1.44 -0.71 1.54 -0.14 0.12 -5.01 119.74 117.60 1sjg s LYS 94 Ca 0.19 -1.11 -0.30 0.00 -1.36 0.00 0.00 55.97 53.39 1sjg s LYS 94 Cb -0.14 -1.68 -0.15 0.00 -1.68 0.00 0.00 37.83 34.18 1sjg s LYS 94 CO 0.06 0.42 2.52 0.41 -0.76 0.00 0.00 175.35 177.99 1sjg n GLY 95 N 1.48 -0.10 3.68 -3.33 0.00 -1.26 -1.47 105.19 104.20 1sjg n GLY 95 Ca -0.18 0.93 0.00 0.00 0.00 0.00 0.00 46.02 46.78 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 12.48 0.00 -4.42 1.61 8.00 -1.26 -4.98 116.55 127.98 1sjg n ASP 96 Ca 0.52 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.76 1sjg n ASP 96 Cb 0.25 -0.21 -0.11 0.00 -0.02 0.00 0.00 41.12 41.03 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 -2.62 3.37 -0.04 -2.24 1.01 -0.54 -0.44 116.67 115.17 1sjg s ASP 97 Ca 0.00 -0.90 0.02 0.00 0.71 0.00 0.00 52.55 52.39 1sjg s ASP 97 Cb 0.00 -0.25 0.01 0.00 1.01 0.00 0.00 42.92 43.69 1sjg s ASP 97 CO 0.00 0.09 -0.10 -0.63 0.21 0.00 0.00 175.17 174.74 1sjg s ILE 98 N -1.88 0.88 0.04 0.77 1.01 -0.27 -0.70 121.20 121.05 1sjg s ILE 98 Ca 0.22 -0.39 0.09 0.00 0.00 0.00 0.00 60.65 60.57 1sjg s ILE 98 Cb -0.07 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.58 1sjg s ILE 98 CO 0.10 0.28 -0.25 -0.31 0.00 0.00 0.00 174.94 174.76 1sjg s TYR 99 N 0.36 2.36 0.02 3.97 1.51 -0.55 -2.31 117.35 122.71 1sjg s TYR 99 Ca -0.06 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 55.63 1sjg s TYR 99 Cb -0.11 -1.40 -0.01 0.00 -0.11 0.00 0.00 41.96 40.32 1sjg s TYR 99 CO 0.01 0.14 -0.07 0.14 -1.11 0.00 0.00 175.55 174.66 1sjg s VAL 100 N -0.82 0.52 -0.11 0.71 -7.23 0.28 0.17 120.40 113.93 1sjg s VAL 100 Ca 0.12 -0.67 -0.01 0.00 -1.81 0.00 0.00 61.98 59.61 1sjg s VAL 100 Cb -0.10 -0.52 0.03 0.00 0.56 0.00 0.00 36.38 36.36 1sjg s VAL 100 CO 0.02 -0.11 -0.03 -0.55 -0.31 0.00 0.00 175.10 174.12 1sjg s SER 101 N -0.85 2.13 0.00 4.85 0.15 -0.08 -1.00 113.70 118.90 1sjg s SER 101 Ca -0.03 -0.33 0.20 0.00 0.70 0.00 0.00 55.95 56.48 1sjg s SER 101 Cb -0.06 -0.67 0.57 0.00 -1.71 0.00 0.00 66.02 64.16 1sjg s SER 101 CO 0.00 -0.18 1.45 1.07 1.20 0.00 0.00 173.24 176.78 1sjg n THR 102 N 5.03 0.39 -2.21 6.45 5.66 -1.26 -3.65 114.28 124.69 1sjg n THR 102 Ca -0.10 -0.52 -0.43 0.00 -3.05 0.00 0.00 64.05 59.95 1sjg n THR 102 Cb 0.49 0.51 -0.02 0.00 -1.55 0.00 0.00 70.33 69.76 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 -1.61 3.46 0.00 1.09 2.20 -1.26 -1.81 119.74 121.81 1sjg s LYS 103 Ca 0.33 1.12 0.00 0.00 -0.36 0.00 0.00 55.97 57.06 1sjg s LYS 103 Cb 0.18 -4.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.40 1sjg s LYS 103 CO 0.26 -1.70 0.00 0.41 -0.36 0.00 0.00 175.35 173.96 1sjg n GLY 104 N 5.23 1.82 3.17 5.54 0.00 -1.26 -5.03 105.19 114.67 1sjg n GLY 104 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1sjg n GLY 104 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sjg s ILE 105 N -2.19 2.42 0.11 -0.61 1.09 -0.75 -5.11 121.20 116.16 1sjg s ILE 105 Ca 0.00 -0.82 -0.07 0.00 -1.10 0.00 0.00 60.65 58.66 1sjg s ILE 105 Cb 0.00 -2.05 -0.06 0.00 -1.06 0.00 0.00 42.46 39.30 1sjg s ILE 105 CO 0.00 0.50 0.38 -0.76 -0.10 0.00 0.00 174.94 174.96 1sjg s LEU 106 N 1.34 4.30 0.22 2.97 1.02 -1.26 -4.90 118.68 122.37 1sjg s LEU 106 Ca 0.05 0.65 -0.32 0.00 0.02 0.00 0.00 54.13 54.54 1sjg s LEU 106 Cb -0.13 -3.17 -0.14 0.00 0.02 0.00 0.00 46.19 42.77 1sjg s LEU 106 CO -0.10 0.10 1.39 -0.81 0.02 0.00 0.00 176.35 176.95 1sjg n PRO 107 N 0.42 1.91 -2.12 1.29 -0.04 -1.26 -4.94 135.00 130.25 1sjg n PRO 107 Ca -0.05 0.68 -0.32 0.00 -0.04 0.00 0.00 63.50 63.78 1sjg n PRO 107 Cb 0.52 -2.33 -0.01 0.00 -0.04 0.00 0.00 33.50 31.64 1sjg n PRO 107 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1sjg s ASN 108 N 0.32 6.41 -0.40 3.54 2.47 -1.26 -4.85 114.94 121.16 1sjg s ASN 108 Ca 0.70 1.50 -0.29 0.00 0.42 0.00 0.00 52.86 55.18 1sjg s ASN 108 Cb -0.69 -2.49 -0.09 0.00 -1.45 0.00 0.00 41.25 36.54 1sjg s ASN 108 CO 0.49 -0.74 2.32 0.29 -3.72 0.00 0.00 177.10 175.73 1sjg n LYS 109 N -2.18 1.28 0.00 0.43 5.02 -1.26 -3.40 118.16 118.05 1sjg n LYS 109 Ca 0.06 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 1sjg n LYS 109 Cb 0.54 -2.98 0.00 0.00 -0.02 0.00 0.00 35.03 32.57 1sjg n LYS 109 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sjg n ALA 110 N 12.54 0.00 0.00 7.82 0.00 -1.26 -3.06 120.51 136.55 1sjg n ALA 110 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1sjg n ALA 110 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 0.00 0.00 0.00 -0.00 -1.22 -4.81 115.22 109.19 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 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1sjg n HIS 111 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79