#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 6.02 -0.20 3.17 0.01 -1.26 -1.47 113.70 119.98 1sjg s SER 2 Ca 0.00 -1.74 -0.09 0.00 1.31 0.00 0.00 55.95 55.43 1sjg s SER 2 Cb 0.00 -2.14 0.04 0.00 0.21 0.00 0.00 66.02 64.13 1sjg s SER 2 CO 0.00 -0.77 0.19 0.49 0.41 0.00 0.00 173.24 173.56 1sjg n PHE 3 N 5.13 -4.09 -4.22 2.43 3.72 -1.18 -4.94 117.46 114.31 1sjg n PHE 3 Ca -0.12 2.28 -0.21 0.00 -0.05 0.00 0.00 57.45 59.35 1sjg n PHE 3 Cb 0.41 -3.73 -0.12 0.00 -0.94 0.00 0.00 39.48 35.10 1sjg n PHE 3 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1sjg s GLU 4 N -0.81 0.95 0.28 -1.08 2.02 0.72 -4.76 118.70 116.02 1sjg s GLU 4 Ca -0.22 -1.06 -0.29 0.00 0.02 0.00 0.00 54.97 53.42 1sjg s GLU 4 Cb 0.01 -1.06 -0.10 0.00 0.10 0.00 0.00 34.13 33.09 1sjg s GLU 4 CO 0.74 0.24 1.29 0.21 0.02 0.00 0.00 175.26 177.75 1sjg s LYS 5 N -1.86 4.40 0.00 1.61 2.20 -1.26 -0.01 119.74 124.82 1sjg s LYS 5 Ca 0.02 2.11 0.00 0.00 -0.36 0.00 0.00 55.97 57.74 1sjg s LYS 5 Cb -0.10 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 1sjg s LYS 5 CO 0.03 -0.17 0.00 1.51 -0.36 0.00 0.00 175.35 176.36 1sjg n ILE 6 N 1.56 0.00 -3.39 5.43 0.13 -0.51 -4.89 119.36 117.69 1sjg n ILE 6 Ca 0.02 0.00 -0.02 0.00 -1.10 0.00 0.00 62.75 61.65 1sjg n ILE 6 Cb 0.42 -0.35 0.00 0.00 -0.84 0.00 0.00 39.64 38.88 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 -1.46 1.56 0.43 0.00 1.04 -1.26 -0.91 113.70 113.10 1sjg s SER 8 Ca 0.05 -0.61 0.22 0.00 0.48 0.00 0.00 55.95 56.08 1sjg s SER 8 Cb -0.01 -0.04 0.94 0.00 0.10 0.00 0.00 66.02 67.01 1sjg s SER 8 CO 0.03 -0.10 1.85 0.25 0.98 0.00 0.00 173.24 176.26 1sjg h LEU 9 N 4.32 0.00 -2.13 2.42 6.46 -0.29 -0.61 115.31 125.49 1sjg h LEU 9 Ca -0.40 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.34 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 0.40 0.27 -0.08 -0.78 -0.62 0.00 0.00 178.44 177.64 1sjg h ASP 10 N 0.00 0.00 0.00 1.25 3.58 -1.96 -3.10 116.42 116.19 1sjg h ASP 10 Ca -0.00 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.30 1sjg h ASP 10 Cb 0.69 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 1sjg h ASP 10 CO 0.04 0.08 -1.09 -0.67 -2.88 0.00 0.00 179.24 174.71 1sjg n ASP 11 N -3.71 1.86 -4.45 2.28 2.03 -0.51 -4.80 116.55 109.24 1sjg n ASP 11 Ca -0.02 0.49 -0.42 0.00 0.52 0.00 0.00 54.79 55.35 1sjg n ASP 11 Cb 0.18 -0.89 -0.10 0.00 -0.72 0.00 0.00 41.12 39.59 1sjg n ASP 11 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1sjg s ILE 12 N -2.40 5.14 0.74 5.18 -4.36 -0.35 -5.05 121.20 120.10 1sjg s ILE 12 Ca -0.25 -0.64 -0.08 0.00 -0.26 0.00 0.00 60.65 59.42 1sjg s ILE 12 Cb 0.05 -3.83 0.07 0.00 1.25 0.00 0.00 42.46 40.00 1sjg s ILE 12 CO 0.41 -0.26 1.07 0.26 0.24 0.00 0.00 174.94 176.66 1sjg s TRP 13 N 1.66 2.90 -0.07 1.37 0.52 -1.24 -4.45 118.94 119.63 1sjg s TRP 13 Ca 0.05 0.53 -0.32 0.00 0.02 0.00 0.00 56.10 56.37 1sjg s TRP 13 Cb -0.19 -3.30 -0.10 0.00 -1.15 0.00 0.00 33.47 28.73 1sjg s TRP 13 CO 0.09 -1.54 1.96 0.28 0.02 0.00 0.00 176.95 177.77 1sjg n VAL 14 N -3.05 0.61 -0.11 4.03 0.31 -1.26 -0.29 118.33 118.57 1sjg n VAL 14 Ca 0.08 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1sjg n VAL 14 Cb 0.61 -2.07 0.00 0.00 -0.91 0.00 0.00 33.84 31.46 1sjg n VAL 14 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sjg n GLY 15 N 4.69 0.54 3.79 2.92 0.00 0.72 -4.99 105.19 112.86 1sjg n GLY 15 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.86 3.17 -0.02 1.61 0.41 0.61 -4.93 118.70 118.69 1sjg s GLU 16 Ca 0.00 -0.35 -0.03 0.00 -0.41 0.00 0.00 54.97 54.18 1sjg s GLU 16 Cb 0.00 -2.95 0.00 0.00 -1.78 0.00 0.00 34.13 29.41 1sjg s GLU 16 CO 0.00 0.70 0.06 0.00 -0.49 0.00 0.00 175.26 175.54 1sjg s MET 17 N -1.29 0.15 -0.12 1.61 0.23 -1.26 -1.20 119.30 117.41 1sjg s MET 17 Ca 0.18 -0.03 -0.08 0.00 -1.03 0.00 0.00 55.69 54.73 1sjg s MET 17 Cb -0.12 0.06 0.04 0.00 -1.53 0.00 0.00 34.83 33.29 1sjg s MET 17 CO 0.08 -0.02 0.30 -2.00 -2.03 0.00 0.00 175.02 171.34 1sjg s GLU 18 N -0.27 0.30 -0.15 3.16 2.56 -0.10 -4.58 118.70 119.62 1sjg s GLU 18 Ca -0.03 0.54 -0.29 0.00 0.00 0.00 0.00 54.97 55.18 1sjg s GLU 18 Cb -0.02 0.01 -0.01 0.00 2.00 0.00 0.00 34.13 36.11 1sjg s GLU 18 CO 0.00 -0.12 1.06 0.99 -0.56 0.00 0.00 175.26 176.64 1sjg s THR 19 N 0.87 4.64 0.20 -1.70 2.01 -1.26 -1.41 115.64 119.00 1sjg s THR 19 Ca -0.06 1.94 0.11 0.00 0.31 0.00 0.00 61.69 63.99 1sjg s THR 19 Cb -0.07 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 1sjg s THR 19 CO -0.06 -0.07 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.22 1sjg s PHE 20 N 2.57 2.35 -0.15 4.92 0.08 0.29 -4.91 117.98 123.12 1sjg s PHE 20 Ca 0.48 -0.34 -0.07 0.00 0.12 0.00 0.00 56.93 57.13 1sjg s PHE 20 Cb -0.18 -1.14 -0.04 0.00 -0.57 0.00 0.00 43.02 41.09 1sjg s PHE 20 CO 0.14 0.53 0.08 -2.00 -0.10 0.00 0.00 175.22 173.88 1sjg s GLU 21 N -2.81 3.68 0.69 0.44 2.12 -1.26 -1.21 118.70 120.35 1sjg s GLU 21 Ca 0.23 -0.27 -0.08 0.00 0.36 0.00 0.00 54.97 55.20 1sjg s GLU 21 Cb -0.08 -3.16 0.04 0.00 0.26 0.00 0.00 34.13 31.19 1sjg s GLU 21 CO 0.11 0.50 1.03 0.95 -0.54 0.00 0.00 175.26 177.31 1sjg s THR 22 N -0.26 2.87 -0.50 -1.70 -4.23 0.33 -4.88 115.64 107.26 1sjg s THR 22 Ca 0.09 0.01 0.17 0.00 -1.18 0.00 0.00 61.69 60.78 1sjg s THR 22 Cb -0.12 -3.23 0.17 0.00 1.34 0.00 0.00 72.50 70.66 1sjg s THR 22 CO 0.01 -0.27 1.51 -1.20 -0.54 0.00 0.00 174.62 174.14 1sjg n SER 23 N -2.92 0.42 0.03 3.99 7.64 -1.26 -0.43 113.62 121.09 1sjg n SER 23 Ca 0.07 0.66 0.12 0.00 1.01 0.00 0.00 58.87 60.73 1sjg n SER 23 Cb 0.59 -0.73 0.24 0.00 -1.01 0.00 0.00 64.21 63.31 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 -2.02 0.55 -0.02 6.43 8.00 -1.26 -4.92 116.55 123.31 1sjg n ASP 24 Ca 0.00 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1sjg n ASP 24 Cb 0.08 0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 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 1.42 1.19 3.78 0.44 0.00 0.43 -5.07 105.19 107.38 1sjg n GLY 25 Ca 0.05 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.04 5.34 -0.15 2.61 2.01 -1.25 -4.83 115.64 117.34 1sjg s THR 26 Ca 0.00 0.42 -0.20 0.00 0.31 0.00 0.00 61.69 62.22 1sjg s THR 26 Cb 0.00 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 1sjg s THR 26 CO 0.00 0.48 0.59 -1.61 -0.69 0.00 0.00 174.62 173.39 1sjg s GLU 27 N -0.10 4.30 -0.01 4.92 8.01 -1.26 -0.52 118.70 134.05 1sjg s GLU 27 Ca 0.15 0.60 0.03 0.00 0.01 0.00 0.00 54.97 55.77 1sjg s GLU 27 Cb -0.13 -3.51 -0.01 0.00 -4.31 0.00 0.00 34.13 26.18 1sjg s GLU 27 CO 0.04 -0.05 -0.11 0.08 0.01 0.00 0.00 175.26 175.23 1sjg s VAL 28 N 1.27 0.86 -0.45 2.63 1.01 -0.35 -2.14 120.40 123.24 1sjg s VAL 28 Ca 0.29 -0.47 -0.17 0.00 0.00 0.00 0.00 61.98 61.63 1sjg s VAL 28 Cb -0.16 -0.72 0.04 0.00 0.00 0.00 0.00 36.38 35.54 1sjg s VAL 28 CO 0.12 0.23 0.45 -0.22 0.00 0.00 0.00 175.10 175.68 1sjg s LEU 29 N -0.28 5.08 -0.33 3.92 2.96 0.69 -0.55 118.68 130.17 1sjg s LEU 29 Ca 0.04 -0.89 -0.13 0.00 -0.22 0.00 0.00 54.13 52.93 1sjg s LEU 29 Cb -0.04 -2.33 -0.02 0.00 0.50 0.00 0.00 46.19 44.30 1sjg s LEU 29 CO -0.00 -0.64 0.26 -0.63 -1.32 0.00 0.00 176.35 174.02 1sjg s ILE 30 N 2.07 5.26 -0.17 6.68 1.09 -0.50 -0.55 121.20 135.09 1sjg s ILE 30 Ca 0.10 -0.12 -0.01 0.00 -1.10 0.00 0.00 60.65 59.52 1sjg s ILE 30 Cb -0.19 -3.72 -0.01 0.00 -1.06 0.00 0.00 42.46 37.48 1sjg s ILE 30 CO 0.11 -0.00 -0.11 -0.69 -0.10 0.00 0.00 174.94 174.15 1sjg s VAL 31 N 1.79 2.99 -0.49 2.92 1.01 0.48 -0.92 120.40 128.17 1sjg s VAL 31 Ca 0.07 -0.65 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 1sjg s VAL 31 Cb -0.17 -2.29 0.07 0.00 0.00 0.00 0.00 36.38 33.99 1sjg s VAL 31 CO 0.11 0.49 0.51 0.21 0.00 0.00 0.00 175.10 176.42 1sjg s ASN 32 N 0.87 6.18 0.04 3.32 2.47 -0.34 -0.44 114.94 127.04 1sjg s ASN 32 Ca -0.03 -1.15 -0.00 0.00 0.42 0.00 0.00 52.86 52.09 1sjg s ASN 32 Cb -0.15 -2.24 -0.04 0.00 -1.45 0.00 0.00 41.25 37.38 1sjg s ASN 32 CO -0.00 -0.77 0.17 -0.44 -3.72 0.00 0.00 177.10 172.33 1sjg s SER 33 N 2.69 6.15 -0.10 -4.21 0.01 -0.91 -0.20 113.70 117.13 1sjg s SER 33 Ca 0.09 0.23 -0.26 0.00 1.31 0.00 0.00 55.95 57.32 1sjg s SER 33 Cb -0.22 -1.85 -0.23 0.00 0.21 0.00 0.00 66.02 63.93 1sjg s SER 33 CO 0.09 0.20 0.88 1.05 0.41 0.00 0.00 173.24 175.88 1sjg h GLU 34 N 3.40 -0.02 0.13 12.44 4.11 -1.94 -2.53 114.58 130.17 1sjg h GLU 34 Ca -0.47 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 58.62 1sjg h GLU 34 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1sjg h GLU 34 CO 0.71 0.76 -1.86 0.93 0.07 0.00 0.00 179.01 179.62 1sjg h GLU 35 N -0.85 0.27 0.00 1.06 5.08 -2.04 -3.29 114.58 114.81 1sjg h GLU 35 Ca -0.00 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1sjg h GLU 35 Cb 0.78 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1sjg h GLU 35 CO 0.00 1.16 0.00 1.58 -1.00 0.00 0.00 179.01 180.75 1sjg n HIS 36 N -3.46 0.00 -0.03 4.33 -0.00 -1.26 -5.01 115.22 109.80 1sjg n HIS 36 Ca -0.27 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.91 1sjg n HIS 36 Cb 1.06 -0.48 -0.00 0.00 -0.12 0.00 0.00 29.99 30.44 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 1.44 -1.99 3.67 1.57 0.00 -0.96 -4.74 105.19 104.19 1sjg n GLY 37 Ca 0.07 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.07 4.34 0.02 1.61 0.11 -1.21 -2.13 120.40 121.05 1sjg s VAL 38 Ca 0.00 1.63 0.05 0.00 -2.93 0.00 0.00 61.98 60.73 1sjg s VAL 38 Cb 0.00 -4.05 -0.02 0.00 -1.53 0.00 0.00 36.38 30.78 1sjg s VAL 38 CO 0.00 -0.09 -0.14 -0.54 -3.33 0.00 0.00 175.10 171.00 1sjg s LYS 39 N 2.97 1.04 -0.08 1.54 -0.14 0.41 -4.85 119.74 120.63 1sjg s LYS 39 Ca 0.54 -0.64 0.01 0.00 -1.36 0.00 0.00 55.97 54.51 1sjg s LYS 39 Cb -0.22 -1.04 -0.03 0.00 -1.68 0.00 0.00 37.83 34.87 1sjg s LYS 39 CO 0.16 0.27 -0.09 0.00 -0.76 0.00 0.00 175.35 174.93 1sjg s ALA 40 N -0.60 2.87 0.07 5.17 0.00 -1.24 -0.39 121.76 127.64 1sjg s ALA 40 Ca 0.04 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.15 1sjg s ALA 40 Cb -0.07 -1.21 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 1sjg s ALA 40 CO 0.00 0.48 -0.15 0.71 0.00 0.00 0.00 175.76 176.81 1sjg s TYR 41 N -0.50 1.25 0.24 0.00 2.02 0.29 -0.62 117.35 120.02 1sjg s TYR 41 Ca 0.07 -0.45 -0.31 0.00 -0.37 0.00 0.00 57.07 56.01 1sjg s TYR 41 Cb -0.12 -0.70 -0.14 0.00 -0.40 0.00 0.00 41.96 40.60 1sjg s TYR 41 CO 0.02 0.06 1.24 0.94 -1.57 0.00 0.00 175.55 176.24 1sjg n GLN 42 N 1.30 1.65 -0.48 -0.62 7.27 0.15 -0.22 117.38 126.42 1sjg n GLN 42 Ca -0.21 0.58 0.08 0.00 0.07 0.00 0.00 57.00 57.53 1sjg n GLN 42 Cb 0.54 -2.13 0.27 0.00 2.41 0.00 0.00 30.24 31.34 1sjg n GLN 42 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1sjg n ALA 43 N 1.27 3.06 -2.49 1.69 0.00 -0.91 -4.25 120.51 118.88 1sjg n ALA 43 Ca 0.11 -2.23 -0.39 0.00 0.00 0.00 0.00 53.44 50.93 1sjg n ALA 43 Cb 0.30 -0.75 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 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 -2.76 3.53 -0.50 0.00 -1.94 -1.26 -4.86 119.30 111.50 1sjg s MET 44 Ca 0.43 -1.22 0.00 0.00 -1.71 0.00 0.00 55.69 53.19 1sjg s MET 44 Cb 0.34 -5.36 0.13 0.00 2.01 0.00 0.00 34.83 31.95 1sjg s MET 44 CO 0.10 -2.41 0.27 0.00 -0.01 0.00 0.00 175.02 172.97 1sjg n PRO 46 N 3.76 1.13 -0.02 0.00 -0.04 -1.26 -4.24 135.00 134.32 1sjg n PRO 46 Ca 0.04 -0.21 -0.02 0.00 -0.04 0.00 0.00 63.50 63.27 1sjg n PRO 46 Cb 0.38 -1.25 -0.01 0.00 -0.04 0.00 0.00 33.50 32.58 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 1.76 0.11 0.00 0.54 8.25 -1.26 -5.02 115.22 119.60 1sjg n HIS 47 Ca 0.09 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1sjg n HIS 47 Cb 0.55 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.41 1sjg n HIS 47 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1sjg n GLN 48 N -3.04 0.00 -3.31 -0.41 7.27 -1.26 -5.07 117.38 111.56 1sjg n GLN 48 Ca -0.03 0.00 -0.46 0.00 0.07 0.00 0.00 57.00 56.58 1sjg n GLN 48 Cb 0.13 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 32.72 1sjg n GLN 48 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1sjg s GLU 49 N -0.96 2.99 0.00 3.69 8.01 -1.26 -4.82 118.70 126.35 1sjg s GLU 49 Ca 0.00 -1.65 0.26 0.00 0.01 0.00 0.00 54.97 53.60 1sjg s GLU 49 Cb 0.00 -4.28 0.81 0.00 -4.31 0.00 0.00 34.13 26.36 1sjg s GLU 49 CO 0.00 -1.30 1.61 1.51 0.01 0.00 0.00 175.26 177.09 1sjg n ILE 50 N 5.26 0.03 -0.98 -1.63 0.13 -1.26 -4.32 119.36 116.58 1sjg n ILE 50 Ca -0.14 -0.33 -0.18 0.00 -1.10 0.00 0.00 62.75 61.01 1sjg n ILE 50 Cb 0.41 0.73 0.02 0.00 -0.84 0.00 0.00 39.64 39.95 1sjg n ILE 50 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 1sjg n LEU 51 N 0.49 6.42 -0.02 9.51 4.32 -1.26 -4.58 117.00 131.88 1sjg n LEU 51 Ca 0.18 -3.40 0.13 0.00 -0.02 0.00 0.00 56.01 52.89 1sjg n LEU 51 Cb 0.42 -1.10 0.55 0.00 -1.62 0.00 0.00 43.42 41.67 1sjg n LEU 51 CO 0.16 1.32 1.17 -0.07 -1.22 0.00 0.00 177.39 178.75 1sjg h LEU 52 N 2.82 0.26 -0.85 2.23 4.07 -1.75 -1.35 115.31 120.73 1sjg h LEU 52 Ca 0.30 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 58.16 1sjg h LEU 52 Cb 0.90 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.57 1sjg h LEU 52 CO 0.75 0.16 -0.49 0.77 -1.08 0.00 0.00 178.44 178.55 1sjg h SER 53 N 0.29 0.00 -0.61 -0.43 4.64 -1.85 -1.12 113.55 114.47 1sjg h SER 53 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1sjg h SER 53 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1sjg h SER 53 CO -0.05 0.49 0.00 1.21 -0.87 0.00 0.00 176.83 177.61 1sjg n GLU 54 N -3.67 4.35 0.00 4.77 0.00 -0.53 -4.61 120.64 120.94 1sjg n GLU 54 Ca -0.01 -3.02 0.00 0.00 0.00 0.00 0.00 57.16 54.14 1sjg n GLU 54 Cb 0.56 -2.10 0.00 0.00 0.00 0.00 0.00 31.44 29.90 1sjg n GLU 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sjg n GLY 55 N 0.88 1.33 3.24 8.31 0.00 -0.42 -5.02 105.19 113.51 1sjg n GLY 55 Ca 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 1sjg n GLY 55 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sjg s SER 56 N -1.00 -0.22 -0.11 1.61 0.15 -0.75 -4.99 113.70 108.40 1sjg s SER 56 Ca 0.00 0.16 -0.00 0.00 0.70 0.00 0.00 55.95 56.81 1sjg s SER 56 Cb 0.00 0.36 0.02 0.00 -1.71 0.00 0.00 66.02 64.70 1sjg s SER 56 CO 0.00 -0.41 -0.08 -0.47 1.20 0.00 0.00 173.24 173.49 1sjg s TYR 57 N -1.14 1.42 0.39 3.44 5.04 -1.26 -1.45 117.35 123.79 1sjg s TYR 57 Ca -0.12 -0.68 0.08 0.00 -2.44 0.00 0.00 57.07 53.91 1sjg s TYR 57 Cb -0.05 -1.18 -0.06 0.00 0.35 0.00 0.00 41.96 41.02 1sjg s TYR 57 CO 0.04 -0.48 0.10 -1.21 -1.34 0.00 0.00 175.55 172.66 1sjg s GLU 58 N 1.61 2.15 -1.19 4.97 2.02 -0.05 -5.01 118.70 123.19 1sjg s GLU 58 Ca 0.03 -1.84 -0.12 0.00 0.02 0.00 0.00 54.97 53.06 1sjg s GLU 58 Cb -0.13 -1.92 -0.06 0.00 0.10 0.00 0.00 34.13 32.12 1sjg s GLU 58 CO -0.07 -0.02 2.32 0.41 0.02 0.00 0.00 175.26 177.93 1sjg n GLY 59 N -1.10 3.59 0.00 -1.39 0.00 -1.26 -2.67 105.19 102.36 1sjg n GLY 59 Ca -0.03 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 3.96 0.63 3.16 -0.02 0.00 -1.26 -5.06 105.19 106.60 1sjg n GLY 60 Ca 0.56 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.29 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 1.69 -0.10 1.61 1.01 -1.09 -0.88 120.40 122.64 1sjg s VAL 61 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1sjg s VAL 61 Cb 0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1sjg s VAL 61 CO 0.00 0.48 -0.09 -0.63 0.00 0.00 0.00 175.10 174.86 1sjg s ILE 62 N 0.29 3.51 -0.07 2.22 -1.09 -1.18 -0.87 121.20 124.01 1sjg s ILE 62 Ca -0.13 -0.53 0.02 0.00 -2.23 0.00 0.00 60.65 57.79 1sjg s ILE 62 Cb -0.16 -2.46 0.01 0.00 -1.58 0.00 0.00 42.46 38.28 1sjg s ILE 62 CO 0.05 0.56 -0.13 -0.89 -1.23 0.00 0.00 174.94 173.30 1sjg s THR 63 N -0.29 1.20 0.00 2.92 2.01 -0.53 -3.59 115.64 117.37 1sjg s THR 63 Ca 0.03 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.53 1sjg s THR 63 Cb -0.13 -1.10 0.00 0.00 0.01 0.00 0.00 72.50 71.28 1sjg s THR 63 CO 0.03 0.37 0.72 0.00 -0.69 0.00 0.00 174.62 175.05 1sjg n ARG 65 N -1.68 0.00 -1.09 0.00 0.63 -1.26 -3.59 116.66 109.67 1sjg n ARG 65 Ca 0.00 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.90 1sjg n ARG 65 Cb 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.90 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 -0.05 -3.14 5.13 0.00 -1.26 -4.89 120.51 116.30 1sjg n ALA 66 Ca 0.00 0.05 -0.12 0.00 0.00 0.00 0.00 53.44 53.37 1sjg n ALA 66 Cb 0.00 -1.26 -0.10 0.00 0.00 0.00 0.00 19.45 18.09 1sjg n ALA 66 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1sjg s HIS 67 N -1.48 -0.14 -0.39 0.00 3.76 -1.26 -4.97 115.29 110.80 1sjg s HIS 67 Ca 0.00 0.29 -0.13 0.00 -0.15 0.00 0.00 55.06 55.06 1sjg s HIS 67 Cb 0.00 0.04 0.02 0.00 1.11 0.00 0.00 32.58 33.75 1sjg s HIS 67 CO 0.00 -0.24 0.44 -0.11 -0.85 0.00 0.00 174.74 173.98 1sjg n LEU 68 N 2.07 -7.51 -0.02 0.89 7.94 -1.26 -1.58 117.00 117.53 1sjg n LEU 68 Ca -0.18 0.71 -0.16 0.00 -1.11 0.00 0.00 56.01 55.28 1sjg n LEU 68 Cb 0.57 -3.23 -0.10 0.00 0.53 0.00 0.00 43.42 41.19 1sjg n LEU 68 CO 0.20 -2.40 0.38 -0.25 -1.11 0.00 0.00 177.39 174.20 1sjg h TRP 69 N 2.31 0.46 -3.44 1.96 2.91 -0.95 -3.31 115.95 115.88 1sjg h TRP 69 Ca -0.04 -0.22 -0.42 0.00 1.13 0.00 0.00 58.89 59.34 1sjg h TRP 69 Cb 0.78 -0.06 -0.34 0.00 -0.51 0.00 0.00 29.16 29.03 1sjg h TRP 69 CO 0.07 1.00 -0.78 0.95 -1.03 0.00 0.00 178.44 178.65 1sjg s THR 70 N -3.41 0.61 -0.01 2.65 -4.23 -0.51 -4.83 115.64 105.90 1sjg s THR 70 Ca -0.14 -0.16 0.02 0.00 -1.18 0.00 0.00 61.69 60.23 1sjg s THR 70 Cb 0.03 -0.62 -0.00 0.00 1.34 0.00 0.00 72.50 73.25 1sjg s THR 70 CO 0.78 0.24 -0.06 0.12 -0.54 0.00 0.00 174.62 175.16 1sjg s PHE 71 N 0.94 0.58 -0.35 3.99 5.36 -1.24 -0.89 117.98 126.38 1sjg s PHE 71 Ca -0.11 -0.11 -0.11 0.00 -0.96 0.00 0.00 56.93 55.64 1sjg s PHE 71 Cb -0.14 -0.40 0.01 0.00 -0.34 0.00 0.00 43.02 42.15 1sjg s PHE 71 CO 0.00 -0.03 0.19 1.21 -1.46 0.00 0.00 175.22 175.13 1sjg s ASN 72 N -0.00 5.70 0.58 6.13 2.47 -0.91 -3.10 114.94 125.81 1sjg s ASN 72 Ca 0.01 -0.75 0.35 0.00 0.42 0.00 0.00 52.86 52.88 1sjg s ASN 72 Cb -0.04 -2.03 1.78 0.00 -1.45 0.00 0.00 41.25 39.51 1sjg s ASN 72 CO -0.00 -0.30 2.16 -0.78 -3.72 0.00 0.00 177.10 174.46 1sjg h ASP 73 N 8.41 0.00 -0.34 -4.21 3.58 -1.33 0.21 116.42 122.74 1sjg h ASP 73 Ca -0.29 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.16 1sjg h ASP 73 Cb 1.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.18 1sjg h ASP 73 CO 0.65 0.05 0.00 0.61 -2.88 0.00 0.00 179.24 177.66 1sjg n GLY 74 N -0.70 1.84 1.60 -0.78 0.00 -1.26 -4.39 105.19 101.50 1sjg n GLY 74 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 0.45 0.00 0.00 2.61 -1.04 -0.82 -5.05 114.28 110.42 1sjg n THR 75 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 1sjg n THR 75 Cb 0.63 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.91 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 0.18 0.64 3.80 3.41 0.00 0.66 -5.03 105.19 108.85 1sjg n GLY 76 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 3.28 -0.05 1.61 3.76 -1.25 -0.05 115.29 120.59 1sjg s HIS 77 Ca 0.00 0.17 -0.19 0.00 -0.15 0.00 0.00 55.06 54.89 1sjg s HIS 77 Cb 0.00 -1.70 -0.05 0.00 1.11 0.00 0.00 32.58 31.94 1sjg s HIS 77 CO 0.00 0.55 0.53 0.20 -0.85 0.00 0.00 174.74 175.17 1sjg s GLY 78 N -2.05 2.51 -0.05 -2.22 0.00 -0.99 -2.13 107.32 102.39 1sjg s GLY 78 Ca 0.26 -0.08 -0.18 0.00 0.00 0.00 0.00 44.72 44.72 1sjg s GLY 78 CO 0.18 0.69 0.80 -2.22 0.00 0.00 0.00 173.10 172.55 1sjg h ILE 79 N 4.31 1.29 -3.10 0.90 5.03 -1.31 -3.33 117.51 121.30 1sjg h ILE 79 Ca -0.44 -2.53 -0.42 0.00 -0.12 0.00 0.00 64.86 61.34 1sjg h ILE 79 Cb 1.20 3.01 -0.40 0.00 -3.03 0.00 0.00 36.82 37.59 1sjg h ILE 79 CO 0.71 0.74 -0.74 0.21 -0.68 0.00 0.00 178.15 178.39 1sjg s ASN 80 N -7.13 1.93 0.58 1.72 3.84 -1.03 -3.64 114.94 111.21 1sjg s ASN 80 Ca -0.15 -0.38 -0.06 0.00 0.21 0.00 0.00 52.86 52.48 1sjg s ASN 80 Cb 0.03 -0.17 0.00 0.00 -0.55 0.00 0.00 41.25 40.56 1sjg s ASN 80 CO 0.84 -0.32 0.90 -2.16 -2.79 0.00 0.00 177.10 173.57 1sjg s PRO 81 N 2.16 3.03 0.07 0.43 0.04 -1.26 -0.31 135.00 139.16 1sjg s PRO 81 Ca 0.03 0.09 0.27 0.00 0.04 0.00 0.00 61.00 61.43 1sjg s PRO 81 Cb -0.15 -2.26 0.92 0.00 0.04 0.00 0.00 34.50 33.05 1sjg s PRO 81 CO -0.07 -0.65 1.74 -3.47 0.04 0.00 0.00 177.00 174.59 1sjg n ASP 82 N -2.57 0.36 0.11 6.66 2.03 -1.24 -3.72 116.55 118.17 1sjg n ASP 82 Ca 0.04 0.36 0.20 0.00 0.52 0.00 0.00 54.79 55.91 1sjg n ASP 82 Cb 0.57 -0.38 0.76 0.00 -0.72 0.00 0.00 41.12 41.35 1sjg n ASP 82 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1sjg h ASP 83 N 0.00 0.00 -5.12 1.67 1.82 -1.92 -3.42 116.42 109.44 1sjg h ASP 83 Ca 0.00 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.50 1sjg h ASP 83 Cb 0.59 0.00 -0.16 0.00 0.68 0.00 0.00 39.33 40.44 1sjg h ASP 83 CO 0.00 0.00 -0.69 0.00 -1.61 0.00 0.00 179.24 176.94 1sjg s LEU 86 N -2.99 2.45 0.18 0.00 1.43 0.92 -4.42 118.68 116.26 1sjg s LEU 86 Ca 0.19 -1.16 0.11 0.00 -1.03 0.00 0.00 54.13 52.24 1sjg s LEU 86 Cb -0.01 -0.58 -0.04 0.00 0.03 0.00 0.00 46.19 45.58 1sjg s LEU 86 CO 0.07 -0.34 -0.20 0.00 0.23 0.00 0.00 176.35 176.11 1sjg s ALA 87 N -3.07 2.64 0.19 4.21 0.00 -1.26 -4.56 121.76 119.90 1sjg s ALA 87 Ca 0.28 -1.57 -0.31 0.00 0.00 0.00 0.00 51.96 50.36 1sjg s ALA 87 Cb 0.03 -0.46 -0.10 0.00 0.00 0.00 0.00 23.12 22.60 1sjg s ALA 87 CO 0.10 0.46 1.50 -2.00 0.00 0.00 0.00 175.76 175.82 1sjg s GLU 88 N -2.63 4.24 -0.26 0.00 2.56 -1.26 -0.68 118.70 120.68 1sjg s GLU 88 Ca 0.21 2.31 0.01 0.00 0.00 0.00 0.00 54.97 57.50 1sjg s GLU 88 Cb -0.08 -3.15 0.07 0.00 2.00 0.00 0.00 34.13 32.97 1sjg s GLU 88 CO 0.11 -0.52 -0.00 -0.47 -0.56 0.00 0.00 175.26 173.81 1sjg s TYR 89 N 0.73 2.41 -0.02 5.30 6.14 0.21 -4.07 117.35 128.04 1sjg s TYR 89 Ca 0.66 -1.90 -0.36 0.00 0.64 0.00 0.00 57.07 56.10 1sjg s TYR 89 Cb -0.42 -1.79 -0.14 0.00 0.42 0.00 0.00 41.96 40.02 1sjg s TYR 89 CO 0.35 -0.81 1.64 -2.30 0.64 0.00 0.00 175.55 175.07 1sjg n PRO 90 N 4.66 1.68 -4.20 4.97 -0.02 -1.25 -3.67 135.00 137.17 1sjg n PRO 90 Ca -0.07 0.61 -0.16 0.00 -2.02 0.00 0.00 63.50 61.85 1sjg n PRO 90 Cb 0.43 -2.35 -0.13 0.00 -0.02 0.00 0.00 33.50 31.44 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 2.24 0.68 -0.04 -1.45 0.11 -1.26 0.02 120.40 120.70 1sjg s VAL 91 Ca 0.88 -0.76 0.03 0.00 -2.93 0.00 0.00 61.98 59.21 1sjg s VAL 91 Cb -0.84 -0.65 0.00 0.00 -1.53 0.00 0.00 36.38 33.36 1sjg s VAL 91 CO 0.50 -0.09 -0.15 -1.61 -3.33 0.00 0.00 175.10 170.43 1sjg s GLU 92 N -0.94 1.61 -0.22 1.54 2.02 0.15 -4.99 118.70 117.88 1sjg s GLU 92 Ca -0.02 -0.51 -0.00 0.00 0.02 0.00 0.00 54.97 54.45 1sjg s GLU 92 Cb -0.07 -1.39 0.02 0.00 0.10 0.00 0.00 34.13 32.79 1sjg s GLU 92 CO 0.00 0.17 -0.12 0.54 0.02 0.00 0.00 175.26 175.87 1sjg s VAL 93 N 0.20 2.55 -0.24 2.63 0.11 -1.26 -0.42 120.40 123.98 1sjg s VAL 93 Ca -0.06 -0.95 -0.00 0.00 -2.93 0.00 0.00 61.98 58.04 1sjg s VAL 93 Cb -0.12 -2.20 0.06 0.00 -1.53 0.00 0.00 36.38 32.60 1sjg s VAL 93 CO 0.02 0.36 -0.02 -1.59 -3.33 0.00 0.00 175.10 170.55 1sjg s LYS 94 N 1.32 1.35 -1.18 1.54 0.00 0.67 -4.88 119.74 118.55 1sjg s LYS 94 Ca 0.02 -0.91 -0.06 0.00 0.00 0.00 0.00 55.97 55.03 1sjg s LYS 94 Cb -0.15 -2.47 -0.02 0.00 0.00 0.00 0.00 37.83 35.19 1sjg s LYS 94 CO -0.08 -0.65 0.83 0.41 0.00 0.00 0.00 175.35 175.86 1sjg n GLY 95 N 4.75 -0.68 3.64 0.59 0.00 -1.26 -1.52 105.19 110.71 1sjg n GLY 95 Ca -0.10 0.31 0.00 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 -3.04 0.00 -4.84 1.61 9.92 -1.26 -4.97 116.55 113.96 1sjg n ASP 96 Ca -0.20 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 53.70 1sjg n ASP 96 Cb 0.64 -0.72 -0.07 0.00 -0.64 0.00 0.00 41.12 40.33 1sjg n ASP 96 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1sjg s ASP 97 N -3.00 6.22 -0.10 -2.24 -1.08 -0.57 0.38 116.67 116.28 1sjg s ASP 97 Ca 0.00 0.40 0.02 0.00 -0.52 0.00 0.00 52.55 52.45 1sjg s ASP 97 Cb 0.00 -2.00 0.02 0.00 -1.46 0.00 0.00 42.92 39.48 1sjg s ASP 97 CO 0.00 0.38 -0.14 -0.63 0.52 0.00 0.00 175.17 175.30 1sjg s ILE 98 N -0.86 1.38 -0.03 4.11 1.01 -0.09 -0.23 121.20 126.49 1sjg s ILE 98 Ca 0.14 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.25 1sjg s ILE 98 Cb -0.12 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 1sjg s ILE 98 CO 0.03 0.42 -0.11 -0.31 0.00 0.00 0.00 174.94 174.97 1sjg s TYR 99 N 1.02 2.78 0.02 3.97 1.51 0.44 -1.43 117.35 125.66 1sjg s TYR 99 Ca -0.06 -0.10 0.05 0.00 -1.01 0.00 0.00 57.07 55.94 1sjg s TYR 99 Cb -0.15 -1.62 -0.02 0.00 -0.11 0.00 0.00 41.96 40.06 1sjg s TYR 99 CO -0.02 0.27 -0.14 0.14 -1.11 0.00 0.00 175.55 174.70 1sjg s VAL 100 N -0.84 1.10 -0.12 0.71 -7.23 0.99 0.31 120.40 115.31 1sjg s VAL 100 Ca 0.13 -0.82 0.01 0.00 -1.81 0.00 0.00 61.98 59.50 1sjg s VAL 100 Cb -0.11 -0.96 -0.01 0.00 0.56 0.00 0.00 36.38 35.86 1sjg s VAL 100 CO 0.03 0.14 -0.17 -0.55 -0.31 0.00 0.00 175.10 174.24 1sjg s SER 101 N -0.78 3.68 0.15 4.85 0.15 0.10 -0.20 113.70 121.65 1sjg s SER 101 Ca 0.03 -0.41 0.25 0.00 0.70 0.00 0.00 55.95 56.51 1sjg s SER 101 Cb -0.07 -1.54 0.44 0.00 -1.71 0.00 0.00 66.02 63.14 1sjg s SER 101 CO 0.00 0.16 1.42 0.74 1.20 0.00 0.00 173.24 176.76 1sjg h THR 102 N 5.52 0.00 -3.40 6.45 2.02 -1.56 -3.32 112.91 118.62 1sjg h THR 102 Ca -0.24 -0.52 -0.59 0.00 0.77 0.00 0.00 66.41 65.84 1sjg h THR 102 Cb 1.22 1.20 -0.09 0.00 -1.74 0.00 0.00 68.15 68.74 1sjg h THR 102 CO 0.53 0.00 0.15 -0.75 0.37 0.00 0.00 175.52 175.82 1sjg s LYS 103 N -3.16 4.22 0.00 6.66 2.20 -1.07 -3.79 119.74 124.81 1sjg s LYS 103 Ca 0.07 0.66 0.00 0.00 -0.36 0.00 0.00 55.97 56.34 1sjg s LYS 103 Cb 0.13 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 1sjg s LYS 103 CO 0.69 -0.24 0.00 0.41 -0.36 0.00 0.00 175.35 175.85 1sjg n GLY 104 N 3.75 1.44 3.72 5.54 0.00 -1.26 -4.89 105.19 113.48 1sjg n GLY 104 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 5.38 -0.45 -0.61 1.01 -1.25 -4.68 121.20 118.61 1sjg s ILE 105 Ca 0.00 0.18 -0.09 0.00 0.00 0.00 0.00 60.65 60.74 1sjg s ILE 105 Cb 0.00 -3.46 0.10 0.00 0.01 0.00 0.00 42.46 39.11 1sjg s ILE 105 CO 0.00 0.43 0.32 -0.22 0.00 0.00 0.00 174.94 175.47 1sjg s LEU 106 N 0.44 5.49 0.16 2.97 1.98 -1.26 -5.06 118.68 123.39 1sjg s LEU 106 Ca 0.08 -1.73 -0.30 0.00 -2.89 0.00 0.00 54.13 49.28 1sjg s LEU 106 Cb -0.11 -2.01 -0.08 0.00 0.66 0.00 0.00 46.19 44.64 1sjg s LEU 106 CO -0.01 -0.63 1.32 -2.16 -1.89 0.00 0.00 176.35 172.97 1sjg s PRO 107 N 1.40 4.38 -0.24 0.98 0.04 -1.26 -4.00 135.00 136.29 1sjg s PRO 107 Ca 0.05 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 63.09 1sjg s PRO 107 Cb -0.25 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.09 1sjg s PRO 107 CO 0.01 -0.30 -0.06 1.21 0.04 0.00 0.00 177.00 177.89 1sjg s ASN 108 N 0.63 4.28 0.00 6.66 2.47 -1.26 -4.77 114.94 122.95 1sjg s ASN 108 Ca 0.59 -0.83 0.00 0.00 0.42 0.00 0.00 52.86 53.04 1sjg s ASN 108 Cb -0.36 -1.66 0.00 0.00 -1.45 0.00 0.00 41.25 37.78 1sjg s ASN 108 CO 0.35 -0.12 0.00 1.17 -3.72 0.00 0.00 177.10 174.78 1sjg n LYS 109 N 4.68 0.00 0.00 0.43 0.00 -1.26 -4.07 118.16 117.94 1sjg n LYS 109 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.14 1sjg n LYS 109 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.50 1sjg n LYS 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1sjg n ALA 110 N 0.00 0.00 -3.37 3.14 0.00 -1.26 -5.02 120.51 114.00 1sjg n ALA 110 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1sjg n ALA 110 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1sjg n ALA 110 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1sjg s HIS 111 N 0.76 -0.51 0.00 0.00 -3.43 -1.26 -4.84 115.29 106.01 1sjg s HIS 111 Ca 0.00 0.43 0.00 0.00 -0.80 0.00 0.00 55.06 54.69 1sjg s HIS 111 Cb 0.00 0.47 0.00 0.00 -1.43 0.00 0.00 32.58 31.62 1sjg s HIS 111 CO 0.00 -0.77 0.00 0.43 -2.00 0.00 0.00 174.74 172.40