#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 -4.09 -4.73 3.17 7.64 -1.26 -4.75 113.62 109.59 1sjg n SER 2 Ca 0.00 0.89 -0.39 0.00 1.01 0.00 0.00 58.87 60.38 1sjg n SER 2 Cb 0.00 3.81 -0.05 0.00 -1.01 0.00 0.00 64.21 66.95 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 -1.95 3.60 0.01 1.43 0.08 -1.26 -1.24 117.98 118.65 1sjg s PHE 3 Ca 0.00 1.15 -0.04 0.00 0.12 0.00 0.00 56.93 58.16 1sjg s PHE 3 Cb 0.00 -2.68 -0.01 0.00 -0.57 0.00 0.00 43.02 39.77 1sjg s PHE 3 CO 0.00 0.20 0.07 -2.00 -0.10 0.00 0.00 175.22 173.39 1sjg s GLU 4 N 0.40 0.39 0.06 0.44 2.12 0.50 -4.91 118.70 117.70 1sjg s GLU 4 Ca 0.33 -0.44 -0.31 0.00 0.36 0.00 0.00 54.97 54.91 1sjg s GLU 4 Cb -0.17 0.15 -0.07 0.00 0.26 0.00 0.00 34.13 34.30 1sjg s GLU 4 CO 0.16 -0.08 1.45 0.21 -0.54 0.00 0.00 175.26 176.46 1sjg s LYS 5 N -1.30 4.28 -0.16 4.30 2.20 -1.26 -0.10 119.74 127.69 1sjg s LYS 5 Ca -0.14 2.09 -0.25 0.00 -0.36 0.00 0.00 55.97 57.31 1sjg s LYS 5 Cb -0.08 -3.44 -0.23 0.00 -1.51 0.00 0.00 37.83 32.57 1sjg s LYS 5 CO 0.00 -0.56 0.54 0.97 -0.36 0.00 0.00 175.35 175.95 1sjg h ILE 6 N 4.62 1.42 -2.29 5.43 6.09 -1.47 -3.47 117.51 127.84 1sjg h ILE 6 Ca -0.40 -2.24 0.04 0.00 -1.37 0.00 0.00 64.86 60.88 1sjg h ILE 6 Cb 1.20 2.86 -0.01 0.00 0.47 0.00 0.00 36.82 41.34 1sjg h ILE 6 CO 0.89 0.48 0.24 0.00 -3.07 0.00 0.00 178.15 176.69 1sjg s SER 8 N -2.21 4.73 0.43 0.00 0.01 -1.26 -1.22 113.70 114.18 1sjg s SER 8 Ca 0.10 -0.42 0.25 0.00 1.31 0.00 0.00 55.95 57.19 1sjg s SER 8 Cb -0.02 -0.99 1.34 0.00 0.21 0.00 0.00 66.02 66.56 1sjg s SER 8 CO 0.04 0.08 1.73 0.25 0.41 0.00 0.00 173.24 175.76 1sjg h LEU 9 N 2.66 0.00 -0.00 2.44 5.85 -0.08 0.40 115.31 126.58 1sjg h LEU 9 Ca -0.47 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 1sjg h LEU 9 Cb 1.21 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 1sjg h LEU 9 CO 0.58 0.00 -0.02 -2.24 -0.34 0.00 0.00 178.44 176.42 1sjg h ASP 10 N 0.00 0.00 0.00 1.25 2.03 -1.95 -3.31 116.42 114.44 1sjg h ASP 10 Ca 0.00 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.25 1sjg h ASP 10 Cb 0.24 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.73 1sjg h ASP 10 CO 0.00 0.02 -0.37 0.44 -1.03 0.00 0.00 179.24 178.30 1sjg h ASP 11 N 0.00 0.00 -3.64 4.15 3.32 -0.58 -3.44 116.42 116.23 1sjg h ASP 11 Ca -0.00 -0.43 -0.70 0.00 0.02 0.00 0.00 57.03 55.92 1sjg h ASP 11 Cb 1.02 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.29 1sjg h ASP 11 CO 0.00 0.93 -0.58 -0.51 -1.72 0.00 0.00 179.24 177.36 1sjg s ILE 12 N -2.07 4.02 0.56 0.35 1.10 -0.93 -5.05 121.20 119.17 1sjg s ILE 12 Ca -0.15 -1.01 -0.06 0.00 -0.51 0.00 0.00 60.65 58.92 1sjg s ILE 12 Cb 0.01 -3.24 -0.01 0.00 0.15 0.00 0.00 42.46 39.37 1sjg s ILE 12 CO 0.39 -0.17 0.87 0.26 -2.11 0.00 0.00 174.94 174.18 1sjg s TRP 13 N 1.45 3.37 -0.12 3.50 0.52 -1.25 -4.37 118.94 122.05 1sjg s TRP 13 Ca -0.00 0.72 -0.30 0.00 0.02 0.00 0.00 56.10 56.55 1sjg s TRP 13 Cb -0.19 -2.59 -0.02 0.00 -1.15 0.00 0.00 33.47 29.51 1sjg s TRP 13 CO 0.04 -0.64 1.27 0.54 0.02 0.00 0.00 176.95 178.18 1sjg s VAL 14 N -2.92 4.21 0.00 4.03 0.11 -1.26 -1.98 120.40 122.59 1sjg s VAL 14 Ca 0.52 1.49 0.00 0.00 -2.93 0.00 0.00 61.98 61.06 1sjg s VAL 14 Cb -0.10 -3.96 0.00 0.00 -1.53 0.00 0.00 36.38 30.78 1sjg s VAL 14 CO 0.45 -0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.75 1sjg n GLY 15 N 3.57 0.52 3.80 6.54 0.00 0.16 -4.96 105.19 114.81 1sjg n GLY 15 Ca 0.13 0.00 -0.22 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 -0.89 2.70 -0.07 1.61 0.41 -0.84 -4.94 118.70 116.69 1sjg s GLU 16 Ca 0.00 -1.25 -0.05 0.00 -0.41 0.00 0.00 54.97 53.26 1sjg s GLU 16 Cb 0.00 -2.43 0.03 0.00 -1.78 0.00 0.00 34.13 29.95 1sjg s GLU 16 CO 0.00 0.25 0.16 0.00 -0.49 0.00 0.00 175.26 175.18 1sjg s MET 17 N -3.87 0.15 0.05 1.61 0.23 -1.26 -0.66 119.30 115.55 1sjg s MET 17 Ca 0.36 0.30 -0.23 0.00 -1.03 0.00 0.00 55.69 55.09 1sjg s MET 17 Cb -0.06 -0.02 0.06 0.00 -1.53 0.00 0.00 34.83 33.27 1sjg s MET 17 CO 0.25 -0.09 0.54 -1.83 -2.03 0.00 0.00 175.02 171.86 1sjg s GLU 18 N 0.58 1.07 -0.10 3.16 -1.05 0.18 -4.78 118.70 117.76 1sjg s GLU 18 Ca -0.04 -0.23 -0.26 0.00 -0.15 0.00 0.00 54.97 54.29 1sjg s GLU 18 Cb -0.06 0.49 -0.02 0.00 -0.44 0.00 0.00 34.13 34.10 1sjg s GLU 18 CO -0.03 -0.40 0.85 0.99 0.95 0.00 0.00 175.26 177.62 1sjg s THR 19 N -2.53 4.91 0.10 1.83 2.01 -1.26 -0.22 115.64 120.48 1sjg s THR 19 Ca -0.05 1.72 0.07 0.00 0.31 0.00 0.00 61.69 63.75 1sjg s THR 19 Cb -0.01 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 1sjg s THR 19 CO -0.02 0.12 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.48 1sjg s PHE 20 N 1.50 1.62 -0.01 4.92 0.08 0.59 -4.91 117.98 121.77 1sjg s PHE 20 Ca 0.42 -0.44 -0.07 0.00 0.12 0.00 0.00 56.93 56.96 1sjg s PHE 20 Cb -0.18 -0.88 -0.05 0.00 -0.57 0.00 0.00 43.02 41.34 1sjg s PHE 20 CO 0.18 0.17 0.26 -1.83 -0.10 0.00 0.00 175.22 173.90 1sjg s GLU 21 N -1.95 3.58 0.87 0.44 1.03 -1.26 -0.38 118.70 121.04 1sjg s GLU 21 Ca 0.05 -0.05 -0.11 0.00 0.03 0.00 0.00 54.97 54.88 1sjg s GLU 21 Cb -0.10 -3.10 0.16 0.00 -0.80 0.00 0.00 34.13 30.30 1sjg s GLU 21 CO 0.04 0.67 1.21 0.95 -1.33 0.00 0.00 175.26 176.79 1sjg s THR 22 N -1.26 2.05 -1.12 1.83 -4.23 0.94 -4.90 115.64 108.95 1sjg s THR 22 Ca 0.26 -0.18 0.21 0.00 -1.18 0.00 0.00 61.69 60.80 1sjg s THR 22 Cb -0.13 -2.88 0.23 0.00 1.34 0.00 0.00 72.50 71.06 1sjg s THR 22 CO 0.15 0.00 1.68 -1.20 -0.54 0.00 0.00 174.62 174.70 1sjg n SER 23 N -3.44 0.00 -0.22 3.99 7.64 -1.26 -1.57 113.62 118.76 1sjg n SER 23 Ca 0.14 0.35 0.12 0.00 1.01 0.00 0.00 58.87 60.50 1sjg n SER 23 Cb 0.60 -0.44 0.28 0.00 -1.01 0.00 0.00 64.21 63.64 1sjg n SER 23 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1sjg n ASP 24 N -1.44 1.05 0.00 6.43 8.00 -1.26 -4.93 116.55 124.40 1sjg n ASP 24 Ca 0.07 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.71 1sjg n ASP 24 Cb 0.22 0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 1sjg n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sjg n GLY 25 N 1.39 0.64 3.69 0.44 0.00 -0.61 -5.04 105.19 105.70 1sjg n GLY 25 Ca 0.10 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 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 5.23 -0.18 2.61 2.01 -1.26 -4.80 115.64 117.25 1sjg s THR 26 Ca 0.00 0.70 -0.21 0.00 0.31 0.00 0.00 61.69 62.49 1sjg s THR 26 Cb 0.00 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 1sjg s THR 26 CO 0.00 0.30 0.62 -1.61 -0.69 0.00 0.00 174.62 173.24 1sjg s GLU 27 N 0.97 4.23 0.06 4.92 2.02 -1.26 -0.04 118.70 129.60 1sjg s GLU 27 Ca 0.19 0.62 0.07 0.00 0.02 0.00 0.00 54.97 55.87 1sjg s GLU 27 Cb -0.14 -3.56 -0.03 0.00 0.10 0.00 0.00 34.13 30.50 1sjg s GLU 27 CO 0.07 -0.19 -0.20 0.08 0.02 0.00 0.00 175.26 175.04 1sjg s VAL 28 N 1.75 1.61 -0.42 2.63 1.01 0.48 -3.63 120.40 123.83 1sjg s VAL 28 Ca 0.29 -1.28 -0.22 0.00 0.00 0.00 0.00 61.98 60.77 1sjg s VAL 28 Cb -0.16 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.81 1sjg s VAL 28 CO 0.11 0.10 0.73 -0.22 0.00 0.00 0.00 175.10 175.83 1sjg s LEU 29 N -1.39 4.29 -0.36 3.92 2.96 0.99 -0.30 118.68 128.79 1sjg s LEU 29 Ca 0.06 -0.07 -0.17 0.00 -0.22 0.00 0.00 54.13 53.74 1sjg s LEU 29 Cb -0.09 -2.90 -0.00 0.00 0.50 0.00 0.00 46.19 43.70 1sjg s LEU 29 CO 0.02 -0.82 0.43 -0.63 -1.32 0.00 0.00 176.35 174.03 1sjg s ILE 30 N 3.09 5.10 -0.22 6.68 1.09 0.69 -1.40 121.20 136.22 1sjg s ILE 30 Ca 0.28 0.08 -0.06 0.00 -1.10 0.00 0.00 60.65 59.85 1sjg s ILE 30 Cb -0.13 -3.91 -0.03 0.00 -1.06 0.00 0.00 42.46 37.33 1sjg s ILE 30 CO 0.20 -0.20 0.04 -0.69 -0.10 0.00 0.00 174.94 174.19 1sjg s VAL 31 N 2.18 4.23 -0.42 2.92 1.01 0.39 -0.65 120.40 130.07 1sjg s VAL 31 Ca 0.14 -0.21 -0.09 0.00 0.00 0.00 0.00 61.98 61.82 1sjg s VAL 31 Cb -0.16 -2.94 0.08 0.00 0.00 0.00 0.00 36.38 33.36 1sjg s VAL 31 CO 0.13 0.40 0.27 0.21 0.00 0.00 0.00 175.10 176.10 1sjg s ASN 32 N 1.14 5.66 0.19 3.32 2.47 0.16 -0.39 114.94 127.49 1sjg s ASN 32 Ca 0.04 -1.51 0.04 0.00 0.42 0.00 0.00 52.86 51.84 1sjg s ASN 32 Cb -0.14 -1.99 -0.03 0.00 -1.45 0.00 0.00 41.25 37.63 1sjg s ASN 32 CO 0.02 -0.55 0.31 -0.44 -3.72 0.00 0.00 177.10 172.73 1sjg s SER 33 N 2.15 6.28 -0.08 -4.21 0.01 -0.41 0.37 113.70 117.81 1sjg s SER 33 Ca 0.03 0.11 -0.25 0.00 1.31 0.00 0.00 55.95 57.15 1sjg s SER 33 Cb -0.23 -1.86 -0.21 0.00 0.21 0.00 0.00 66.02 63.93 1sjg s SER 33 CO 0.02 -0.00 0.92 -0.08 0.41 0.00 0.00 173.24 174.51 1sjg h GLU 34 N 1.70 -0.05 0.00 12.44 4.81 -1.93 -3.10 114.58 128.45 1sjg h GLU 34 Ca -0.50 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.62 1sjg h GLU 34 Cb 1.21 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1sjg h GLU 34 CO 0.65 0.62 -1.69 0.39 -0.73 0.00 0.00 179.01 178.25 1sjg n GLU 35 N -4.77 1.28 0.00 1.92 -0.58 -1.26 -4.28 120.64 112.95 1sjg n GLU 35 Ca -0.09 -0.06 0.14 0.00 -0.42 0.00 0.00 57.16 56.74 1sjg n GLU 35 Cb 0.34 -1.30 0.67 0.00 -0.57 0.00 0.00 31.44 30.58 1sjg n GLU 35 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1sjg n HIS 36 N -2.19 0.00 -0.61 -0.32 -0.00 -1.26 -5.01 115.22 105.82 1sjg n HIS 36 Ca -0.11 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.15 1sjg n HIS 36 Cb 0.61 -0.38 -0.03 0.00 -0.12 0.00 0.00 29.99 30.08 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 1.27 -2.02 3.63 1.57 0.00 -1.17 -4.67 105.19 103.79 1sjg n GLY 37 Ca 0.11 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.21 4.73 0.07 1.61 0.11 -1.26 -1.29 120.40 122.17 1sjg s VAL 38 Ca 0.00 1.40 0.05 0.00 -2.93 0.00 0.00 61.98 60.51 1sjg s VAL 38 Cb 0.00 -4.21 -0.03 0.00 -1.53 0.00 0.00 36.38 30.61 1sjg s VAL 38 CO 0.00 -0.27 -0.15 -0.54 -3.33 0.00 0.00 175.10 170.81 1sjg s LYS 39 N 3.10 0.87 -0.07 1.54 -0.14 0.48 -4.32 119.74 121.19 1sjg s LYS 39 Ca 0.36 -0.93 0.04 0.00 -1.36 0.00 0.00 55.97 54.08 1sjg s LYS 39 Cb -0.14 -0.90 0.00 0.00 -1.68 0.00 0.00 37.83 35.11 1sjg s LYS 39 CO 0.12 0.21 -0.20 0.00 -0.76 0.00 0.00 175.35 174.72 1sjg s ALA 40 N -1.18 1.78 0.08 5.17 0.00 -1.25 -0.46 121.76 125.90 1sjg s ALA 40 Ca -0.01 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.21 1sjg s ALA 40 Cb -0.10 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 1sjg s ALA 40 CO 0.02 0.27 -0.09 0.71 0.00 0.00 0.00 175.76 176.67 1sjg s TYR 41 N 0.25 0.90 0.27 0.00 2.02 -0.49 -0.76 117.35 119.54 1sjg s TYR 41 Ca -0.11 -0.67 -0.30 0.00 -0.37 0.00 0.00 57.07 55.62 1sjg s TYR 41 Cb -0.15 -0.51 -0.13 0.00 -0.40 0.00 0.00 41.96 40.76 1sjg s TYR 41 CO 0.05 -0.06 1.30 1.04 -1.57 0.00 0.00 175.55 176.31 1sjg n GLN 42 N 0.69 1.91 -0.00 -0.62 1.13 -1.24 -0.01 117.38 119.24 1sjg n GLN 42 Ca -0.17 0.68 0.10 0.00 -1.94 0.00 0.00 57.00 55.66 1sjg n GLN 42 Cb 0.57 -2.26 -0.12 0.00 0.11 0.00 0.00 30.24 28.54 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 1.18 4.36 -2.57 -1.58 0.00 -1.24 -4.59 120.51 116.06 1sjg n ALA 43 Ca 0.09 -0.56 -0.43 0.00 0.00 0.00 0.00 53.44 52.55 1sjg n ALA 43 Cb 0.32 -0.72 -0.07 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.96 3.18 0.46 0.00 -1.94 -1.26 -4.88 119.30 111.90 1sjg s MET 44 Ca 0.06 -0.63 0.08 0.00 -1.71 0.00 0.00 55.69 53.48 1sjg s MET 44 Cb 0.15 -4.00 0.01 0.00 2.01 0.00 0.00 34.83 33.00 1sjg s MET 44 CO 0.83 -1.02 0.45 0.00 -0.01 0.00 0.00 175.02 175.27 1sjg n PRO 46 N -1.71 0.81 -3.78 0.00 -0.04 -1.24 -4.54 135.00 124.50 1sjg n PRO 46 Ca 0.05 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.38 1sjg n PRO 46 Cb 0.62 -1.35 -0.13 0.00 -0.04 0.00 0.00 33.50 32.60 1sjg n PRO 46 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1sjg s HIS 47 N -0.79 -0.19 0.07 0.54 3.76 -1.26 -5.04 115.29 112.38 1sjg s HIS 47 Ca 0.00 0.50 0.00 0.00 -0.15 0.00 0.00 55.06 55.41 1sjg s HIS 47 Cb 0.00 0.01 0.00 0.00 1.11 0.00 0.00 32.58 33.70 1sjg s HIS 47 CO 0.00 -0.13 0.00 1.04 -0.85 0.00 0.00 174.74 174.80 1sjg n GLN 48 N 3.56 -0.62 0.00 1.40 1.13 -1.26 -4.80 117.38 116.79 1sjg n GLN 48 Ca -0.19 0.41 0.00 0.00 -1.94 0.00 0.00 57.00 55.28 1sjg n GLN 48 Cb 0.56 -0.76 0.00 0.00 0.11 0.00 0.00 30.24 30.15 1sjg n GLN 48 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1sjg n GLU 49 N -2.47 0.00 -2.74 -1.09 2.13 -1.26 -4.64 120.64 110.56 1sjg n GLU 49 Ca 0.00 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.60 1sjg n GLU 49 Cb 0.14 0.00 0.10 0.00 0.27 0.00 0.00 31.44 31.95 1sjg n GLU 49 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 1sjg s ILE 50 N -1.89 2.10 0.00 6.31 -4.36 -1.26 -4.47 121.20 117.63 1sjg s ILE 50 Ca 0.00 -0.73 0.00 0.00 -0.26 0.00 0.00 60.65 59.66 1sjg s ILE 50 Cb 0.00 -2.36 0.00 0.00 1.25 0.00 0.00 42.46 41.35 1sjg s ILE 50 CO 0.00 0.00 0.00 -0.11 0.24 0.00 0.00 174.94 175.07 1sjg n LEU 51 N -2.67 0.00 -0.34 0.37 7.94 -1.26 -4.82 117.00 116.22 1sjg n LEU 51 Ca 0.16 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 55.08 1sjg n LEU 51 Cb 0.61 0.00 0.17 0.00 0.53 0.00 0.00 43.42 44.73 1sjg n LEU 51 CO 0.41 0.00 1.22 -0.07 -1.11 0.00 0.00 177.39 177.85 1sjg h LEU 52 N 0.00 0.92 0.00 -1.96 -0.00 -1.78 -0.72 115.31 111.77 1sjg h LEU 52 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1sjg h LEU 52 Cb 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 40.49 1sjg h LEU 52 CO 0.00 0.57 -0.02 0.77 -0.00 0.00 0.00 178.44 179.76 1sjg h SER 53 N 1.05 0.00 0.36 -0.43 4.64 -1.89 -2.89 113.55 114.39 1sjg h SER 53 Ca 0.41 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1sjg h SER 53 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1sjg h SER 53 CO -0.19 0.00 -0.55 -0.62 -0.87 0.00 0.00 176.83 174.61 1sjg n GLU 54 N -2.39 0.16 0.00 4.77 -0.58 -0.42 -4.56 120.64 117.61 1sjg n GLU 54 Ca 0.05 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1sjg n GLU 54 Cb 0.45 -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 1.47 1.70 0.00 0.62 0.00 -0.41 -5.05 105.19 103.53 1sjg n GLY 55 Ca 0.06 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1sjg n GLY 55 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sjg n SER 56 N 0.00 0.00 -4.55 1.61 2.88 -1.24 -4.21 113.62 108.11 1sjg n SER 56 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1sjg n SER 56 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1sjg n SER 56 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1sjg s TYR 57 N 0.00 3.13 -0.33 0.66 6.14 -1.26 0.90 117.35 126.59 1sjg s TYR 57 Ca 0.00 0.17 -0.00 0.00 0.64 0.00 0.00 57.07 57.87 1sjg s TYR 57 Cb 0.00 -3.16 0.08 0.00 0.42 0.00 0.00 41.96 39.30 1sjg s TYR 57 CO 0.00 -0.69 0.05 -1.21 0.64 0.00 0.00 175.55 174.34 1sjg s GLU 58 N 2.67 2.11 0.00 4.97 8.01 -0.11 -4.89 118.70 131.46 1sjg s GLU 58 Ca 0.22 -1.54 0.00 0.00 0.01 0.00 0.00 54.97 53.66 1sjg s GLU 58 Cb -0.15 -3.26 0.00 0.00 -4.31 0.00 0.00 34.13 26.41 1sjg s GLU 58 CO 0.16 -0.80 0.00 0.41 0.01 0.00 0.00 175.26 175.04 1sjg n GLY 59 N 4.52 1.43 0.65 -1.39 0.00 -1.26 -1.66 105.19 107.48 1sjg n GLY 59 Ca -0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 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 0.35 3.17 -0.02 0.00 -1.26 -5.04 105.19 102.39 1sjg n GLY 60 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 1.68 -0.31 1.61 1.01 -0.66 -4.76 120.40 118.97 1sjg s VAL 61 Ca 0.00 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 60.99 1sjg s VAL 61 Cb 0.00 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 1sjg s VAL 61 CO 0.00 0.48 0.37 -0.63 0.00 0.00 0.00 175.10 175.31 1sjg s ILE 62 N 0.10 5.16 -0.26 2.22 -1.09 -0.99 -0.93 121.20 125.41 1sjg s ILE 62 Ca -0.08 0.26 -0.10 0.00 -2.23 0.00 0.00 60.65 58.51 1sjg s ILE 62 Cb -0.14 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 36.92 1sjg s ILE 62 CO 0.04 0.00 0.14 -0.89 -1.23 0.00 0.00 174.94 173.00 1sjg s THR 63 N 2.06 5.00 0.79 2.92 2.01 0.26 -1.30 115.64 127.37 1sjg s THR 63 Ca 0.13 0.06 -0.13 0.00 0.31 0.00 0.00 61.69 62.06 1sjg s THR 63 Cb -0.16 -3.35 0.19 0.00 0.01 0.00 0.00 72.50 69.18 1sjg s THR 63 CO 0.11 0.30 0.87 0.00 -0.69 0.00 0.00 174.62 175.22 1sjg n ARG 65 N -3.43 0.02 0.01 0.00 5.12 -1.26 -4.75 116.66 112.37 1sjg n ARG 65 Ca 0.11 0.01 0.10 0.00 -1.93 0.00 0.00 57.85 56.14 1sjg n ARG 65 Cb 0.42 -0.90 -0.14 0.00 -1.16 0.00 0.00 32.46 30.68 1sjg n ARG 65 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1sjg n ALA 66 N -2.65 2.68 -2.60 7.54 0.00 -1.26 -4.83 120.51 119.39 1sjg n ALA 66 Ca -0.02 -0.51 -0.32 0.00 0.00 0.00 0.00 53.44 52.59 1sjg n ALA 66 Cb 0.52 -0.79 -0.15 0.00 0.00 0.00 0.00 19.45 19.03 1sjg n ALA 66 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1sjg s HIS 67 N -3.44 2.59 0.30 0.00 -3.43 -1.26 -5.03 115.29 105.03 1sjg s HIS 67 Ca -0.07 -0.41 0.00 0.00 -0.80 0.00 0.00 55.06 53.78 1sjg s HIS 67 Cb 0.13 -1.63 0.47 0.00 -1.43 0.00 0.00 32.58 30.11 1sjg s HIS 67 CO 0.88 -0.01 1.86 1.25 -2.00 0.00 0.00 174.74 176.73 1sjg h LEU 68 N 5.75 0.72-10.12 5.38 7.12 -1.90 -3.41 115.31 118.85 1sjg h LEU 68 Ca -0.39 -0.11 -0.41 0.00 0.13 0.00 0.00 57.88 57.10 1sjg h LEU 68 Cb 1.16 -0.19 0.21 0.00 -0.53 0.00 0.00 40.66 41.32 1sjg h LEU 68 CO 0.50 0.69 -0.04 0.26 -0.13 0.00 0.00 178.44 179.72 1sjg s TRP 69 N -5.24 0.42 0.27 1.25 0.51 -1.26 -4.83 118.94 110.06 1sjg s TRP 69 Ca -0.09 0.84 0.06 0.00 -2.12 0.00 0.00 56.10 54.79 1sjg s TRP 69 Cb 0.16 -3.03 -0.03 0.00 -0.81 0.00 0.00 33.47 29.76 1sjg s TRP 69 CO 0.79 -4.38 0.29 0.99 -0.51 0.00 0.00 176.95 174.13 1sjg s THR 70 N -2.43 4.55 0.00 2.01 2.01 -1.26 -4.05 115.64 116.47 1sjg s THR 70 Ca 0.69 -1.22 0.03 0.00 0.31 0.00 0.00 61.69 61.50 1sjg s THR 70 Cb -0.18 -3.52 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 1sjg s THR 70 CO 0.61 -0.30 -0.10 0.12 -0.69 0.00 0.00 174.62 174.26 1sjg s PHE 71 N -2.11 0.90 -0.16 4.92 5.36 -0.42 -1.27 117.98 125.20 1sjg s PHE 71 Ca 0.36 -0.21 0.01 0.00 -0.96 0.00 0.00 56.93 56.12 1sjg s PHE 71 Cb -0.08 -0.57 0.02 0.00 -0.34 0.00 0.00 43.02 42.05 1sjg s PHE 71 CO 0.27 -0.01 -0.16 1.21 -1.46 0.00 0.00 175.22 175.07 1sjg s ASN 72 N -0.44 2.83 0.45 6.13 2.47 -0.47 -2.36 114.94 123.56 1sjg s ASN 72 Ca 0.03 -0.55 0.26 0.00 0.42 0.00 0.00 52.86 53.01 1sjg s ASN 72 Cb -0.05 -1.26 0.85 0.00 -1.45 0.00 0.00 41.25 39.34 1sjg s ASN 72 CO -0.00 -0.04 1.79 -2.24 -3.72 0.00 0.00 177.10 172.89 1sjg h ASP 73 N 8.02 0.00 0.22 -4.21 2.03 -1.85 -1.49 116.42 119.13 1sjg h ASP 73 Ca -0.40 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.89 1sjg h ASP 73 Cb 1.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 1sjg h ASP 73 CO 0.56 0.16 -0.10 1.23 -1.03 0.00 0.00 179.24 180.05 1sjg h GLY 74 N 2.54 -0.31 1.62 7.15 0.00 -1.92 -3.31 103.07 108.85 1sjg h GLY 74 Ca -0.00 0.11 -0.19 0.00 0.00 0.00 0.00 47.33 47.26 1sjg h GLY 74 CO 0.02 -0.11 -0.76 -0.84 0.00 0.00 0.00 176.54 174.85 1sjg h THR 75 N -0.82 1.40 0.00 4.70 2.02 -2.00 -3.47 112.91 114.74 1sjg h THR 75 Ca -0.03 -2.21 0.00 0.00 0.77 0.00 0.00 66.41 64.94 1sjg h THR 75 Cb 0.51 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 1sjg h THR 75 CO 0.05 0.66 0.00 0.61 0.37 0.00 0.00 175.52 177.21 1sjg n GLY 76 N 0.61 0.42 3.39 2.16 0.00 -0.57 -5.06 105.19 106.14 1sjg n GLY 76 Ca -0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 1.88 0.33 1.61 3.76 -1.16 -1.68 115.29 118.04 1sjg s HIS 77 Ca 0.00 -0.58 -0.26 0.00 -0.15 0.00 0.00 55.06 54.07 1sjg s HIS 77 Cb 0.00 -0.94 -0.10 0.00 1.11 0.00 0.00 32.58 32.65 1sjg s HIS 77 CO 0.00 0.38 0.99 0.20 -0.85 0.00 0.00 174.74 175.47 1sjg s GLY 78 N -3.39 2.83 0.23 -2.22 0.00 0.98 -1.37 107.32 104.39 1sjg s GLY 78 Ca 0.26 0.62 0.08 0.00 0.00 0.00 0.00 44.72 45.69 1sjg s GLY 78 CO 0.10 1.09 1.53 -2.22 0.00 0.00 0.00 173.10 173.60 1sjg h ILE 79 N 2.58 1.48 -3.17 0.90 2.04 -1.48 -3.23 117.51 116.63 1sjg h ILE 79 Ca -0.47 -2.35 -0.26 0.00 1.00 0.00 0.00 64.86 62.78 1sjg h ILE 79 Cb 1.20 2.26 -0.33 0.00 -0.74 0.00 0.00 36.82 39.21 1sjg h ILE 79 CO 0.65 0.67 -0.61 0.21 0.00 0.00 0.00 178.15 179.07 1sjg s ASN 80 N -6.84 0.24 0.00 1.72 3.84 -0.65 -4.38 114.94 108.86 1sjg s ASN 80 Ca -0.01 0.33 -0.15 0.00 0.21 0.00 0.00 52.86 53.23 1sjg s ASN 80 Cb 0.12 0.24 -0.08 0.00 -0.55 0.00 0.00 41.25 40.98 1sjg s ASN 80 CO 0.78 -0.19 0.85 -0.65 -2.79 0.00 0.00 177.10 175.11 1sjg h PRO 81 N 7.71 -0.52 0.00 0.43 0.11 -1.87 -3.43 132.00 134.44 1sjg h PRO 81 Ca -0.31 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1sjg h PRO 81 Cb 1.13 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1sjg h PRO 81 CO 0.31 -0.35 0.00 -3.47 -0.21 0.00 0.00 178.00 174.28 1sjg n ASP 82 N -4.08 0.00 0.26 -2.05 2.03 -1.22 -4.97 116.55 106.52 1sjg n ASP 82 Ca -0.07 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.35 1sjg n ASP 82 Cb 0.21 0.00 0.69 0.00 -0.72 0.00 0.00 41.12 41.30 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 0.00 0.00 -3.85 1.67 2.03 -1.95 -3.36 116.42 110.96 1sjg h ASP 83 Ca 0.00 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 55.81 1sjg h ASP 83 Cb 0.00 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1sjg h ASP 83 CO 0.00 0.11 0.40 0.00 -1.03 0.00 0.00 179.24 178.72 1sjg s LEU 86 N -1.45 2.73 -0.18 0.00 2.34 -0.68 -1.33 118.68 120.11 1sjg s LEU 86 Ca -0.12 -0.24 -0.22 0.00 0.06 0.00 0.00 54.13 53.61 1sjg s LEU 86 Cb -0.04 -1.56 -0.02 0.00 -0.56 0.00 0.00 46.19 44.00 1sjg s LEU 86 CO 0.04 0.32 0.67 0.00 -1.06 0.00 0.00 176.35 176.32 1sjg s ALA 87 N -0.79 3.52 -0.41 1.48 0.00 -1.26 -4.89 121.76 119.42 1sjg s ALA 87 Ca 0.13 -0.18 -0.17 0.00 0.00 0.00 0.00 51.96 51.73 1sjg s ALA 87 Cb -0.11 -3.01 0.02 0.00 0.00 0.00 0.00 23.12 20.02 1sjg s ALA 87 CO 0.02 -0.53 0.43 -2.00 0.00 0.00 0.00 175.76 173.67 1sjg s GLU 88 N 1.86 3.17 0.24 0.00 2.12 -1.26 -3.73 118.70 121.10 1sjg s GLU 88 Ca 0.31 -0.70 -0.30 0.00 0.36 0.00 0.00 54.97 54.64 1sjg s GLU 88 Cb -0.16 -3.94 -0.09 0.00 0.26 0.00 0.00 34.13 30.20 1sjg s GLU 88 CO 0.11 -0.80 0.96 0.71 -0.54 0.00 0.00 175.26 175.70 1sjg s TYR 89 N 2.12 3.93 -0.03 5.30 1.51 0.06 -4.98 117.35 125.27 1sjg s TYR 89 Ca 0.12 1.89 -0.30 0.00 -1.01 0.00 0.00 57.07 57.77 1sjg s TYR 89 Cb -0.17 -3.02 -0.06 0.00 -0.11 0.00 0.00 41.96 38.59 1sjg s TYR 89 CO 0.13 0.31 1.73 -2.14 -1.11 0.00 0.00 175.55 174.48 1sjg s PRO 90 N -1.17 4.17 -0.00 -1.71 0.02 -1.26 -3.94 135.00 131.11 1sjg s PRO 90 Ca 0.42 2.30 0.03 0.00 0.02 0.00 0.00 61.00 63.76 1sjg s PRO 90 Cb -0.27 -4.01 -0.01 0.00 0.02 0.00 0.00 34.50 30.23 1sjg s PRO 90 CO 0.33 -0.87 -0.10 0.08 -0.33 0.00 0.00 177.00 176.11 1sjg s VAL 91 N 4.08 0.79 0.04 3.83 1.01 -1.26 0.07 120.40 128.96 1sjg s VAL 91 Ca 0.77 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 62.28 1sjg s VAL 91 Cb -0.36 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 1sjg s VAL 91 CO 0.32 0.18 -0.07 -0.70 0.00 0.00 0.00 175.10 174.83 1sjg s GLU 92 N -0.35 0.52 -0.22 2.72 2.56 0.21 -4.77 118.70 119.35 1sjg s GLU 92 Ca 0.03 -0.76 -0.01 0.00 0.00 0.00 0.00 54.97 54.23 1sjg s GLU 92 Cb -0.04 -0.25 0.02 0.00 2.00 0.00 0.00 34.13 35.85 1sjg s GLU 92 CO -0.00 0.04 -0.10 0.54 -0.56 0.00 0.00 175.26 175.18 1sjg s VAL 93 N -1.46 2.73 -0.32 3.70 0.11 -1.26 0.08 120.40 123.98 1sjg s VAL 93 Ca -0.10 -0.92 0.02 0.00 -2.93 0.00 0.00 61.98 58.05 1sjg s VAL 93 Cb -0.09 -2.31 0.10 0.00 -1.53 0.00 0.00 36.38 32.55 1sjg s VAL 93 CO 0.00 0.33 0.06 -1.59 -3.33 0.00 0.00 175.10 170.57 1sjg s LYS 94 N 1.34 1.13 6.43 1.54 0.00 0.81 -5.00 119.74 125.99 1sjg s LYS 94 Ca 0.02 -1.44 0.00 0.00 0.00 0.00 0.00 55.97 54.55 1sjg s LYS 94 Cb -0.15 -2.60 0.00 0.00 0.00 0.00 0.00 37.83 35.08 1sjg s LYS 94 CO -0.07 -0.94 0.00 0.41 0.00 0.00 0.00 175.35 174.76 1sjg n GLY 95 N 4.56 1.87 0.70 0.59 0.00 -1.26 -1.77 105.19 109.88 1sjg n GLY 95 Ca 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 10.42 2.43 -4.40 1.61 8.00 -1.26 -4.83 116.55 128.52 1sjg n ASP 96 Ca 0.00 -1.72 -0.24 0.00 0.71 0.00 0.00 54.79 53.54 1sjg n ASP 96 Cb 0.00 0.18 -0.11 0.00 -0.02 0.00 0.00 41.12 41.17 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 -1.96 3.20 -0.08 -2.24 1.01 -0.73 0.57 116.67 116.44 1sjg s ASP 97 Ca 0.22 -0.90 0.02 0.00 0.71 0.00 0.00 52.55 52.60 1sjg s ASP 97 Cb 0.17 -0.23 0.01 0.00 1.01 0.00 0.00 42.92 43.89 1sjg s ASP 97 CO 0.36 0.05 -0.13 -0.63 0.21 0.00 0.00 175.17 175.02 1sjg s ILE 98 N -2.00 1.25 -0.01 0.77 1.01 -0.36 -0.13 121.20 121.74 1sjg s ILE 98 Ca 0.21 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 60.36 1sjg s ILE 98 Cb -0.06 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 1sjg s ILE 98 CO 0.10 0.38 -0.11 -0.72 0.00 0.00 0.00 174.94 174.59 1sjg s TYR 99 N 0.72 2.78 0.02 3.97 -0.85 0.11 -1.14 117.35 122.96 1sjg s TYR 99 Ca -0.13 -0.11 0.03 0.00 -0.52 0.00 0.00 57.07 56.34 1sjg s TYR 99 Cb -0.16 -1.59 -0.01 0.00 0.38 0.00 0.00 41.96 40.58 1sjg s TYR 99 CO 0.03 0.30 -0.10 0.54 -1.52 0.00 0.00 175.55 174.80 1sjg s VAL 100 N -0.91 0.78 -0.37 -3.49 0.11 0.86 0.64 120.40 118.03 1sjg s VAL 100 Ca 0.15 -0.67 -0.20 0.00 -2.93 0.00 0.00 61.98 58.33 1sjg s VAL 100 Cb -0.11 -0.71 0.00 0.00 -1.53 0.00 0.00 36.38 34.04 1sjg s VAL 100 CO 0.05 0.04 0.61 -0.55 -3.33 0.00 0.00 175.10 171.92 1sjg s SER 101 N -0.71 6.39 -0.13 3.54 0.15 0.11 -0.37 113.70 122.67 1sjg s SER 101 Ca 0.01 0.03 -0.00 0.00 0.70 0.00 0.00 55.95 56.68 1sjg s SER 101 Cb -0.06 -2.31 -0.08 0.00 -1.71 0.00 0.00 66.02 61.86 1sjg s SER 101 CO 0.00 -0.60 -0.12 0.35 1.20 0.00 0.00 173.24 174.07 1sjg n THR 102 N 5.60 0.75 -2.15 6.45 -2.24 -0.37 -4.23 114.28 118.09 1sjg n THR 102 Ca -0.02 -0.27 -0.43 0.00 -2.27 0.00 0.00 64.05 61.06 1sjg n THR 102 Cb 0.48 -1.05 -0.02 0.00 -2.10 0.00 0.00 70.33 67.64 1sjg n THR 102 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1sjg s LYS 103 N -2.26 3.60 0.00 -0.78 2.47 -1.20 -1.56 119.74 120.01 1sjg s LYS 103 Ca -0.18 1.40 0.00 0.00 -1.56 0.00 0.00 55.97 55.63 1sjg s LYS 103 Cb 0.05 -4.08 0.00 0.00 -1.46 0.00 0.00 37.83 32.34 1sjg s LYS 103 CO 0.29 -1.53 0.00 0.41 0.16 0.00 0.00 175.35 174.68 1sjg n GLY 104 N 4.99 0.97 3.56 5.54 0.00 -1.26 -4.37 105.19 114.62 1sjg n GLY 104 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.33 5.29 -0.14 -0.61 -1.09 -0.60 -5.07 121.20 117.66 1sjg s ILE 105 Ca 0.00 0.00 -0.09 0.00 -2.23 0.00 0.00 60.65 58.33 1sjg s ILE 105 Cb 0.00 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 1sjg s ILE 105 CO 0.00 0.12 0.17 -0.22 -1.23 0.00 0.00 174.94 173.77 1sjg s LEU 106 N 1.76 4.33 0.11 2.97 0.20 -1.26 -4.91 118.68 121.88 1sjg s LEU 106 Ca 0.07 0.44 -0.34 0.00 0.69 0.00 0.00 54.13 54.99 1sjg s LEU 106 Cb -0.17 -2.13 -0.13 0.00 -0.43 0.00 0.00 46.19 43.33 1sjg s LEU 106 CO 0.11 0.31 1.66 -2.65 -0.29 0.00 0.00 176.35 175.49 1sjg n PRO 107 N 2.53 2.22 -2.17 0.98 -0.02 -1.26 -4.89 135.00 132.38 1sjg n PRO 107 Ca -0.18 0.80 -0.27 0.00 -2.02 0.00 0.00 63.50 61.83 1sjg n PRO 107 Cb 0.54 -2.60 0.15 0.00 -0.02 0.00 0.00 33.50 31.57 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 1.65 3.67 -1.16 2.55 3.84 -1.26 -4.89 114.94 119.33 1sjg s ASN 108 Ca 0.82 0.07 -0.07 0.00 0.21 0.00 0.00 52.86 53.88 1sjg s ASN 108 Cb -0.66 -0.27 -0.06 0.00 -0.55 0.00 0.00 41.25 39.70 1sjg s ASN 108 CO 0.40 -2.35 2.40 0.29 -2.79 0.00 0.00 177.10 175.06 1sjg n LYS 109 N -3.39 2.64 0.16 0.43 4.76 -1.13 -3.98 118.16 117.66 1sjg n LYS 109 Ca 0.15 -1.71 0.12 0.00 -2.87 0.00 0.00 58.31 53.99 1sjg n LYS 109 Cb 0.60 -2.57 0.08 0.00 -1.84 0.00 0.00 35.03 31.30 1sjg n LYS 109 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1sjg h ALA 110 N 5.86 0.75 -2.56 7.82 0.00 -1.47 0.13 119.26 129.79 1sjg h ALA 110 Ca 0.63 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.39 1sjg h ALA 110 Cb 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.82 1sjg h ALA 110 CO 1.57 0.01 -0.62 -3.38 0.00 0.00 0.00 179.25 176.83 1sjg s HIS 111 N -3.28 0.33 -2.00 0.00 0.00 -1.22 -3.59 115.29 105.52 1sjg s HIS 111 Ca 0.03 -0.72 0.21 0.00 -3.00 0.00 0.00 55.06 51.58 1sjg s HIS 111 Cb 0.07 -0.24 1.24 0.00 -4.00 0.00 0.00 32.58 29.66 1sjg s HIS 111 CO 0.73 -0.34 1.62 0.43 -1.00 0.00 0.00 174.74 176.19