#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 -4.55 6.12 2.88 -1.26 -4.85 113.62 111.96 1sjg n SER 2 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 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 -0.36 -1.23 0.00 0.00 175.04 173.45 1sjg s PHE 3 N 0.00 2.05 -0.00 0.66 0.08 -1.26 -3.57 117.98 115.94 1sjg s PHE 3 Ca 0.00 0.20 0.01 0.00 0.12 0.00 0.00 56.93 57.27 1sjg s PHE 3 Cb 0.00 -4.40 -0.04 0.00 -0.57 0.00 0.00 43.02 38.02 1sjg s PHE 3 CO 0.00 -2.11 0.02 -1.21 -0.10 0.00 0.00 175.22 171.82 1sjg s GLU 4 N 6.22 2.84 -0.10 0.44 0.41 0.26 -4.72 118.70 124.05 1sjg s GLU 4 Ca 0.51 -0.59 -0.30 0.00 -0.41 0.00 0.00 54.97 54.18 1sjg s GLU 4 Cb -0.08 -2.71 -0.02 0.00 -1.78 0.00 0.00 34.13 29.54 1sjg s GLU 4 CO 0.12 0.63 1.13 0.21 -0.49 0.00 0.00 175.26 176.86 1sjg s LYS 5 N -1.61 4.35 -0.25 1.61 2.20 -1.26 0.16 119.74 124.94 1sjg s LYS 5 Ca 0.20 1.55 -0.09 0.00 -0.36 0.00 0.00 55.97 57.28 1sjg s LYS 5 Cb -0.12 -3.58 -0.15 0.00 -1.51 0.00 0.00 37.83 32.47 1sjg s LYS 5 CO 0.11 -0.45 -0.20 1.51 -0.36 0.00 0.00 175.35 175.96 1sjg n ILE 6 N 4.74 1.54 -3.27 5.43 0.13 -0.42 -4.94 119.36 122.56 1sjg n ILE 6 Ca 0.11 -0.43 -0.02 0.00 -1.10 0.00 0.00 62.75 61.30 1sjg n ILE 6 Cb 0.47 -1.73 0.00 0.00 -0.84 0.00 0.00 39.64 37.54 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 2.51 0.55 0.00 0.01 -1.26 -0.82 113.70 113.23 1sjg s SER 8 Ca 0.04 -0.77 0.26 0.00 1.31 0.00 0.00 55.95 56.79 1sjg s SER 8 Cb -0.01 -0.14 1.60 0.00 0.21 0.00 0.00 66.02 67.69 1sjg s SER 8 CO 0.03 -0.01 2.18 0.25 0.41 0.00 0.00 173.24 176.10 1sjg h LEU 9 N 3.68 0.00 -0.13 2.44 6.46 -0.15 0.20 115.31 127.80 1sjg h LEU 9 Ca -0.44 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.32 1sjg h LEU 9 Cb 1.19 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 1sjg h LEU 9 CO 0.46 0.05 0.00 -0.90 -0.62 0.00 0.00 178.44 177.42 1sjg n ASP 10 N -3.91 0.11 -0.10 1.25 5.68 -1.26 -2.54 116.55 115.78 1sjg n ASP 10 Ca -0.03 0.53 -0.19 0.00 -0.50 0.00 0.00 54.79 54.61 1sjg n ASP 10 Cb 0.14 -0.55 -0.08 0.00 -1.14 0.00 0.00 41.12 39.49 1sjg n ASP 10 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1sjg n ASP 11 N -1.62 1.88 -4.24 -1.12 8.00 0.63 -4.86 116.55 115.22 1sjg n ASP 11 Ca 0.03 0.44 -0.37 0.00 0.71 0.00 0.00 54.79 55.60 1sjg n ASP 11 Cb 0.15 -0.88 -0.13 0.00 -0.02 0.00 0.00 41.12 40.24 1sjg n ASP 11 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1sjg s ILE 12 N -2.44 3.50 0.86 0.53 -4.36 -0.83 -5.03 121.20 113.42 1sjg s ILE 12 Ca -0.28 -1.15 -0.12 0.00 -0.26 0.00 0.00 60.65 58.83 1sjg s ILE 12 Cb 0.07 -2.95 0.11 0.00 1.25 0.00 0.00 42.46 40.93 1sjg s ILE 12 CO 0.47 -0.10 1.17 0.26 0.24 0.00 0.00 174.94 176.97 1sjg s TRP 13 N 1.36 2.73 -0.20 1.37 0.52 -1.18 -4.40 118.94 119.14 1sjg s TRP 13 Ca -0.02 0.78 -0.30 0.00 0.02 0.00 0.00 56.10 56.57 1sjg s TRP 13 Cb -0.19 -3.47 -0.07 0.00 -1.15 0.00 0.00 33.47 28.58 1sjg s TRP 13 CO 0.01 -2.04 2.16 1.55 0.02 0.00 0.00 176.95 178.65 1sjg n VAL 14 N -3.51 0.39 -0.14 4.03 3.14 -1.26 -0.35 118.33 120.62 1sjg n VAL 14 Ca 0.08 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 1sjg n VAL 14 Cb 0.60 -2.29 0.00 0.00 -1.06 0.00 0.00 33.84 31.09 1sjg n VAL 14 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1sjg n GLY 15 N 5.66 0.69 3.86 7.55 0.00 0.13 -4.94 105.19 118.13 1sjg n GLY 15 Ca 0.30 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.04 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 3.16 -0.07 1.61 0.41 0.53 -4.92 118.70 118.56 1sjg s GLU 16 Ca 0.00 -0.65 -0.14 0.00 -0.41 0.00 0.00 54.97 53.77 1sjg s GLU 16 Cb 0.00 -2.84 0.03 0.00 -1.78 0.00 0.00 34.13 29.54 1sjg s GLU 16 CO 0.00 0.54 0.34 0.00 -0.49 0.00 0.00 175.26 175.65 1sjg s MET 17 N -2.81 0.56 0.05 1.61 0.23 -1.26 -1.32 119.30 116.35 1sjg s MET 17 Ca 0.32 0.14 -0.24 0.00 -1.03 0.00 0.00 55.69 54.89 1sjg s MET 17 Cb -0.12 0.26 0.06 0.00 -1.53 0.00 0.00 34.83 33.50 1sjg s MET 17 CO 0.25 -0.12 0.57 -1.83 -2.03 0.00 0.00 175.02 171.86 1sjg s GLU 18 N -0.60 1.09 0.09 3.16 -1.05 -0.79 -4.96 118.70 115.63 1sjg s GLU 18 Ca -0.07 -0.17 -0.31 0.00 -0.15 0.00 0.00 54.97 54.27 1sjg s GLU 18 Cb -0.04 0.50 -0.07 0.00 -0.44 0.00 0.00 34.13 34.09 1sjg s GLU 18 CO 0.03 -0.40 1.28 0.99 0.95 0.00 0.00 175.26 178.10 1sjg s THR 19 N -2.42 3.71 0.16 1.83 2.01 -1.26 -0.86 115.64 118.81 1sjg s THR 19 Ca -0.05 1.24 0.07 0.00 0.31 0.00 0.00 61.69 63.25 1sjg s THR 19 Cb -0.01 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 1sjg s THR 19 CO -0.01 0.10 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.51 1sjg s PHE 20 N 1.02 1.55 -0.12 4.92 0.08 0.14 -4.94 117.98 120.62 1sjg s PHE 20 Ca 0.61 -0.57 -0.04 0.00 0.12 0.00 0.00 56.93 57.05 1sjg s PHE 20 Cb -0.33 -0.77 -0.03 0.00 -0.57 0.00 0.00 43.02 41.32 1sjg s PHE 20 CO 0.30 0.23 0.01 -2.00 -0.10 0.00 0.00 175.22 173.67 1sjg s GLU 21 N -3.12 3.37 0.81 0.44 2.12 -1.26 -0.67 118.70 120.40 1sjg s GLU 21 Ca 0.15 -0.40 -0.10 0.00 0.36 0.00 0.00 54.97 54.98 1sjg s GLU 21 Cb -0.03 -2.93 0.12 0.00 0.26 0.00 0.00 34.13 31.55 1sjg s GLU 21 CO 0.04 0.52 1.15 0.95 -0.54 0.00 0.00 175.26 177.38 1sjg s THR 22 N -0.36 2.11 -0.80 -1.70 -4.23 0.17 -4.91 115.64 105.93 1sjg s THR 22 Ca 0.07 -0.17 0.22 0.00 -1.18 0.00 0.00 61.69 60.64 1sjg s THR 22 Cb -0.12 -2.94 0.21 0.00 1.34 0.00 0.00 72.50 70.99 1sjg s THR 22 CO 0.02 0.00 1.69 -1.20 -0.54 0.00 0.00 174.62 174.59 1sjg n SER 23 N -3.27 0.35 0.02 3.99 7.64 -1.26 -1.58 113.62 119.51 1sjg n SER 23 Ca 0.11 0.56 0.12 0.00 1.01 0.00 0.00 58.87 60.67 1sjg n SER 23 Cb 0.60 -0.64 0.19 0.00 -1.01 0.00 0.00 64.21 63.35 1sjg n SER 23 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1sjg n ASP 24 N -1.86 0.58 0.00 6.43 2.03 -1.26 -4.93 116.55 117.54 1sjg n ASP 24 Ca 0.04 -0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.22 1sjg n ASP 24 Cb 0.27 0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 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 1.43 0.94 3.72 0.27 0.00 -0.61 -5.07 105.19 105.87 1sjg n GLY 25 Ca 0.04 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 5.17 -0.18 2.61 2.01 -1.26 -4.80 115.64 117.20 1sjg s THR 26 Ca 0.00 1.00 -0.22 0.00 0.31 0.00 0.00 61.69 62.78 1sjg s THR 26 Cb 0.00 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 1sjg s THR 26 CO 0.00 0.33 0.67 -1.61 -0.69 0.00 0.00 174.62 173.32 1sjg s GLU 27 N 0.59 4.26 0.01 4.92 8.01 -1.26 -0.65 118.70 134.58 1sjg s GLU 27 Ca 0.27 0.72 0.01 0.00 0.01 0.00 0.00 54.97 55.97 1sjg s GLU 27 Cb -0.15 -3.56 -0.01 0.00 -4.31 0.00 0.00 34.13 26.09 1sjg s GLU 27 CO 0.11 -0.21 -0.03 0.08 0.01 0.00 0.00 175.26 175.22 1sjg s VAL 28 N 1.80 0.20 -0.39 2.63 1.01 0.15 -0.12 120.40 125.68 1sjg s VAL 28 Ca 0.31 -0.58 -0.16 0.00 0.00 0.00 0.00 61.98 61.55 1sjg s VAL 28 Cb -0.16 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 35.96 1sjg s VAL 28 CO 0.11 -0.25 0.39 -0.22 0.00 0.00 0.00 175.10 175.14 1sjg s LEU 29 N -0.87 4.71 -0.29 3.92 0.20 0.95 0.23 118.68 127.53 1sjg s LEU 29 Ca -0.08 -0.51 -0.13 0.00 0.69 0.00 0.00 54.13 54.10 1sjg s LEU 29 Cb -0.06 -2.34 -0.04 0.00 -0.43 0.00 0.00 46.19 43.32 1sjg s LEU 29 CO -0.00 -0.46 0.30 -0.63 -0.29 0.00 0.00 176.35 175.27 1sjg s ILE 30 N 2.03 5.22 -0.08 6.68 -1.09 -0.04 -2.35 121.20 131.58 1sjg s ILE 30 Ca 0.11 0.32 0.03 0.00 -2.23 0.00 0.00 60.65 58.88 1sjg s ILE 30 Cb -0.17 -3.66 -0.01 0.00 -1.58 0.00 0.00 42.46 37.03 1sjg s ILE 30 CO 0.12 0.14 -0.18 0.54 -1.23 0.00 0.00 174.94 174.33 1sjg s VAL 31 N 1.94 2.65 -0.40 2.92 0.11 -0.28 -1.89 120.40 125.45 1sjg s VAL 31 Ca 0.11 -0.84 -0.07 0.00 -2.93 0.00 0.00 61.98 58.25 1sjg s VAL 31 Cb -0.16 -2.04 0.08 0.00 -1.53 0.00 0.00 36.38 32.73 1sjg s VAL 31 CO 0.11 0.56 0.22 0.21 -3.33 0.00 0.00 175.10 172.87 1sjg s ASN 32 N -0.08 5.48 -0.04 3.54 3.84 -0.43 -0.63 114.94 126.62 1sjg s ASN 32 Ca -0.04 -1.60 -0.03 0.00 0.21 0.00 0.00 52.86 51.40 1sjg s ASN 32 Cb -0.14 -1.93 -0.04 0.00 -0.55 0.00 0.00 41.25 38.59 1sjg s ASN 32 CO 0.04 -0.51 0.14 -0.44 -2.79 0.00 0.00 177.10 173.54 1sjg s SER 33 N 1.98 6.19 -0.10 -4.21 0.01 -0.35 0.21 113.70 117.43 1sjg s SER 33 Ca 0.03 0.33 -0.25 0.00 1.31 0.00 0.00 55.95 57.37 1sjg s SER 33 Cb -0.23 -1.92 -0.21 0.00 0.21 0.00 0.00 66.02 63.87 1sjg s SER 33 CO 0.00 0.31 0.85 -0.08 0.41 0.00 0.00 173.24 174.74 1sjg h GLU 34 N 4.28 -0.03 0.03 12.44 4.22 -1.92 -2.36 114.58 131.24 1sjg h GLU 34 Ca -0.51 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 58.83 1sjg h GLU 34 Cb 1.20 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.47 1sjg h GLU 34 CO 0.64 0.70 -0.41 0.93 -2.18 0.00 0.00 179.01 178.69 1sjg h GLU 35 N -0.86 0.22 -0.14 1.92 5.08 -1.97 -3.28 114.58 115.55 1sjg h GLU 35 Ca -0.00 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1sjg h GLU 35 Cb 0.74 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1sjg h GLU 35 CO 0.01 1.04 0.00 1.58 -1.00 0.00 0.00 179.01 180.63 1sjg n HIS 36 N -4.38 0.17 -0.45 4.33 -0.00 -1.26 -5.06 115.22 108.57 1sjg n HIS 36 Ca -0.11 -0.08 0.06 0.00 0.46 0.00 0.00 57.72 58.05 1sjg n HIS 36 Cb 0.60 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.46 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 1.23 -1.67 3.69 1.57 0.00 -0.89 -4.76 105.19 104.36 1sjg n GLY 37 Ca 0.17 -1.41 -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 -1.68 4.82 0.04 1.61 0.11 -1.25 -1.22 120.40 122.84 1sjg s VAL 38 Ca 0.00 1.94 0.06 0.00 -2.93 0.00 0.00 61.98 61.04 1sjg s VAL 38 Cb 0.00 -4.27 -0.02 0.00 -1.53 0.00 0.00 36.38 30.56 1sjg s VAL 38 CO 0.00 0.03 -0.17 -0.54 -3.33 0.00 0.00 175.10 171.09 1sjg s LYS 39 N 1.91 1.12 -0.22 1.54 -0.14 0.20 -4.77 119.74 119.39 1sjg s LYS 39 Ca 0.46 -0.82 0.01 0.00 -1.36 0.00 0.00 55.97 54.25 1sjg s LYS 39 Cb -0.18 -1.18 0.05 0.00 -1.68 0.00 0.00 37.83 34.84 1sjg s LYS 39 CO 0.18 0.30 -0.07 0.00 -0.76 0.00 0.00 175.35 174.99 1sjg s ALA 40 N -0.81 1.92 0.00 5.17 0.00 -1.25 -1.12 121.76 125.67 1sjg s ALA 40 Ca 0.04 -1.25 0.01 0.00 0.00 0.00 0.00 51.96 50.76 1sjg s ALA 40 Cb -0.08 -1.35 -0.00 0.00 0.00 0.00 0.00 23.12 21.69 1sjg s ALA 40 CO 0.01 -1.02 -0.03 1.52 0.00 0.00 0.00 175.76 176.24 1sjg s TYR 41 N 1.42 0.31 0.17 0.00 -0.85 -0.99 0.60 117.35 118.01 1sjg s TYR 41 Ca -0.04 -0.10 -0.31 0.00 -0.52 0.00 0.00 57.07 56.11 1sjg s TYR 41 Cb -0.18 -0.20 -0.17 0.00 0.38 0.00 0.00 41.96 41.80 1sjg s TYR 41 CO -0.07 -0.02 0.80 1.04 -1.52 0.00 0.00 175.55 175.78 1sjg n GLN 42 N 2.86 0.40 -3.36 -3.49 6.02 -1.24 -0.03 117.38 118.54 1sjg n GLN 42 Ca -0.14 0.14 -0.43 0.00 -0.01 0.00 0.00 57.00 56.57 1sjg n GLN 42 Cb 0.59 -1.37 -0.01 0.00 1.02 0.00 0.00 30.24 30.47 1sjg n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sjg n ALA 43 N 0.54 4.26 -2.81 -1.58 0.00 0.83 -4.41 120.51 117.33 1sjg n ALA 43 Ca 0.17 -4.67 -0.28 0.00 0.00 0.00 0.00 53.44 48.65 1sjg n ALA 43 Cb 0.23 -2.27 -0.16 0.00 0.00 0.00 0.00 19.45 17.25 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 -1.51 2.04 -0.35 0.00 -1.94 -1.26 -4.28 119.30 112.00 1sjg s MET 44 Ca 0.31 -0.72 -0.04 0.00 -1.71 0.00 0.00 55.69 53.52 1sjg s MET 44 Cb -0.07 -1.77 0.19 0.00 2.01 0.00 0.00 34.83 35.18 1sjg s MET 44 CO -0.07 0.31 0.92 0.00 -0.01 0.00 0.00 175.02 176.17 1sjg n PRO 46 N 4.01 1.49 -0.08 0.00 -0.05 -1.26 -3.15 135.00 135.96 1sjg n PRO 46 Ca 0.07 -0.81 -0.13 0.00 -0.05 0.00 0.00 63.50 62.58 1sjg n PRO 46 Cb 0.61 -1.40 -0.09 0.00 -0.05 0.00 0.00 33.50 32.57 1sjg n PRO 46 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 175.50 176.70 1sjg h HIS 47 N 0.45 0.00 0.00 0.54 2.76 -1.97 -3.48 115.15 113.45 1sjg h HIS 47 Ca 0.13 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 1sjg h HIS 47 Cb 1.37 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.33 1sjg h HIS 47 CO 0.40 0.89 0.00 0.94 -1.30 0.00 0.00 177.93 178.85 1sjg n GLN 48 N -4.57 0.00 -3.48 5.26 7.27 -1.26 -5.04 117.38 115.56 1sjg n GLN 48 Ca -0.16 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.50 1sjg n GLN 48 Cb 0.45 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 33.00 1sjg n GLN 48 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1sjg s GLU 49 N -0.80 3.56 0.51 3.69 2.56 -1.26 -4.93 118.70 122.03 1sjg s GLU 49 Ca 0.00 -0.53 0.19 0.00 0.00 0.00 0.00 54.97 54.63 1sjg s GLU 49 Cb 0.00 -3.80 1.30 0.00 2.00 0.00 0.00 34.13 33.64 1sjg s GLU 49 CO 0.00 -0.46 2.12 0.97 -0.56 0.00 0.00 175.26 177.33 1sjg h ILE 50 N 5.50 0.93 -2.09 -3.70 2.10 -1.93 -3.37 117.51 114.95 1sjg h ILE 50 Ca -0.31 -0.21 -0.54 0.00 1.08 0.00 0.00 64.86 64.88 1sjg h ILE 50 Cb 1.15 1.11 -0.08 0.00 -1.09 0.00 0.00 36.82 37.92 1sjg h ILE 50 CO 0.65 0.06 1.15 -0.76 -1.08 0.00 0.00 178.15 178.17 1sjg s LEU 51 N -8.60 3.23 0.54 2.19 1.43 -1.26 -3.79 118.68 112.41 1sjg s LEU 51 Ca -0.05 -0.56 0.23 0.00 -1.03 0.00 0.00 54.13 52.72 1sjg s LEU 51 Cb 0.16 -2.56 1.42 0.00 0.03 0.00 0.00 46.19 45.25 1sjg s LEU 51 CO 0.65 -1.84 2.07 0.25 0.23 0.00 0.00 176.35 177.71 1sjg h LEU 52 N 13.34 0.00 -2.58 1.79 6.46 -1.74 -0.65 115.31 131.93 1sjg h LEU 52 Ca -0.19 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.58 1sjg h LEU 52 Cb 1.05 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.98 1sjg h LEU 52 CO 1.30 0.00 0.11 0.77 -0.62 0.00 0.00 178.44 179.99 1sjg h SER 53 N 0.00 0.00 -0.28 1.25 4.64 -1.91 0.45 113.55 117.70 1sjg h SER 53 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1sjg h SER 53 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1sjg h SER 53 CO -0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 1sjg n GLU 54 N -3.27 1.72 0.00 4.77 -0.58 -0.25 -4.68 120.64 118.35 1sjg n GLU 54 Ca -0.02 -1.11 0.00 0.00 -0.42 0.00 0.00 57.16 55.61 1sjg n GLU 54 Cb 0.18 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 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 1.03 0.78 3.45 0.62 0.00 0.15 -4.96 105.19 106.26 1sjg n GLY 55 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.54 -0.15 1.61 0.15 -0.77 -5.01 113.70 108.00 1sjg s SER 56 Ca 0.00 0.55 -0.01 0.00 0.70 0.00 0.00 55.95 57.19 1sjg s SER 56 Cb 0.00 0.48 0.04 0.00 -1.71 0.00 0.00 66.02 64.83 1sjg s SER 56 CO 0.00 -0.57 -0.04 -0.47 1.20 0.00 0.00 173.24 173.37 1sjg s TYR 57 N -1.24 1.42 -0.34 3.44 5.04 -1.26 -0.22 117.35 124.20 1sjg s TYR 57 Ca -0.12 -0.86 -0.00 0.00 -2.44 0.00 0.00 57.07 53.65 1sjg s TYR 57 Cb -0.01 -1.18 0.08 0.00 0.35 0.00 0.00 41.96 41.20 1sjg s TYR 57 CO 0.08 -0.56 0.07 -1.21 -1.34 0.00 0.00 175.55 172.59 1sjg s GLU 58 N 1.73 2.02 0.00 4.97 2.02 0.57 -4.92 118.70 125.09 1sjg s GLU 58 Ca 0.02 -1.61 0.00 0.00 0.02 0.00 0.00 54.97 53.39 1sjg s GLU 58 Cb -0.15 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.80 1sjg s GLU 58 CO -0.07 -0.84 0.00 0.41 0.02 0.00 0.00 175.26 174.77 1sjg n GLY 59 N 4.50 0.57 0.89 -1.39 0.00 -1.26 -0.75 105.19 107.74 1sjg n GLY 59 Ca -0.05 0.22 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 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 0.75 3.07 -0.02 0.00 -1.26 -4.80 105.19 102.93 1sjg n GLY 60 Ca 0.00 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 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 1.79 0.02 1.61 1.01 0.07 -4.55 120.40 120.35 1sjg s VAL 61 Ca 0.09 -0.78 -0.19 0.00 0.00 0.00 0.00 61.98 61.10 1sjg s VAL 61 Cb 0.10 -1.64 -0.06 0.00 0.00 0.00 0.00 36.38 34.79 1sjg s VAL 61 CO -0.04 0.50 0.54 -0.63 0.00 0.00 0.00 175.10 175.46 1sjg s ILE 62 N 1.31 4.87 -0.08 2.22 -1.09 0.19 -0.32 121.20 128.30 1sjg s ILE 62 Ca 0.03 1.14 0.02 0.00 -2.23 0.00 0.00 60.65 59.62 1sjg s ILE 62 Cb -0.13 -3.87 0.01 0.00 -1.58 0.00 0.00 42.46 36.89 1sjg s ILE 62 CO -0.10 0.50 -0.14 -0.89 -1.23 0.00 0.00 174.94 173.08 1sjg s THR 63 N -0.70 1.30 0.00 2.92 2.01 0.70 -0.35 115.64 121.51 1sjg s THR 63 Ca 0.28 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1sjg s THR 63 Cb -0.18 -1.18 0.00 0.00 0.01 0.00 0.00 72.50 71.15 1sjg s THR 63 CO 0.17 0.39 0.00 0.00 -0.69 0.00 0.00 174.62 174.49 1sjg s ARG 65 N 0.00 2.27 -1.43 0.00 6.06 -1.26 -4.43 118.95 120.15 1sjg s ARG 65 Ca 0.00 -2.19 0.00 0.00 -2.50 0.00 0.00 55.73 51.04 1sjg s ARG 65 Cb 0.00 -3.64 0.00 0.00 0.06 0.00 0.00 34.95 31.37 1sjg s ARG 65 CO 0.00 -1.12 0.00 0.00 -2.50 0.00 0.00 175.30 171.68 1sjg n ALA 66 N 4.01 -0.25 0.31 6.12 0.00 -1.26 -4.85 120.51 124.59 1sjg n ALA 66 Ca 0.03 0.21 0.11 0.00 0.00 0.00 0.00 53.44 53.78 1sjg n ALA 66 Cb 0.39 -1.56 -0.10 0.00 0.00 0.00 0.00 19.45 18.18 1sjg n ALA 66 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1sjg n HIS 67 N -2.85 0.16 0.00 0.00 -0.00 -1.26 -4.99 115.22 106.27 1sjg n HIS 67 Ca -0.14 0.05 0.00 0.00 0.46 0.00 0.00 57.72 58.08 1sjg n HIS 67 Cb 0.49 -0.44 0.00 0.00 -0.12 0.00 0.00 29.99 29.92 1sjg n HIS 67 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1sjg n LEU 68 N -2.10 0.00 -4.75 0.27 4.32 -1.26 -4.93 117.00 108.55 1sjg n LEU 68 Ca -0.01 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.68 1sjg n LEU 68 Cb 0.50 0.00 0.21 0.00 -1.62 0.00 0.00 43.42 42.50 1sjg n LEU 68 CO 0.44 0.00 0.74 0.86 -1.22 0.00 0.00 177.39 178.20 1sjg s TRP 69 N 0.00 1.11 0.19 -1.77 -0.00 -1.26 -4.92 118.94 112.29 1sjg s TRP 69 Ca 0.00 0.45 0.05 0.00 -0.00 0.00 0.00 56.10 56.60 1sjg s TRP 69 Cb 0.00 -3.72 -0.04 0.00 -0.00 0.00 0.00 33.47 29.71 1sjg s TRP 69 CO 0.00 -3.25 0.23 0.95 -0.00 0.00 0.00 176.95 174.88 1sjg s THR 70 N -3.39 4.86 0.03 5.86 -4.23 -1.26 -4.19 115.64 113.32 1sjg s THR 70 Ca 0.72 -1.02 0.03 0.00 -1.18 0.00 0.00 61.69 60.23 1sjg s THR 70 Cb -0.08 -3.55 -0.02 0.00 1.34 0.00 0.00 72.50 70.20 1sjg s THR 70 CO 0.55 -0.20 -0.09 0.12 -0.54 0.00 0.00 174.62 174.46 1sjg s PHE 71 N -1.87 0.80 -0.25 3.99 2.19 0.52 -0.04 117.98 123.33 1sjg s PHE 71 Ca 0.33 -0.35 0.01 0.00 0.33 0.00 0.00 56.93 57.25 1sjg s PHE 71 Cb -0.10 -0.48 0.05 0.00 -1.31 0.00 0.00 43.02 41.18 1sjg s PHE 71 CO 0.26 -0.02 -0.11 1.21 1.83 0.00 0.00 175.22 178.39 1sjg s ASN 72 N -1.09 4.22 0.14 6.13 2.47 -0.80 -0.63 114.94 125.37 1sjg s ASN 72 Ca -0.03 -1.15 -0.01 0.00 0.42 0.00 0.00 52.86 52.08 1sjg s ASN 72 Cb -0.07 -1.57 -0.09 0.00 -1.45 0.00 0.00 41.25 38.07 1sjg s ASN 72 CO 0.01 -0.15 1.31 -2.24 -3.72 0.00 0.00 177.10 172.31 1sjg h ASP 73 N 7.87 0.40 -0.99 -4.21 2.03 -1.81 -1.71 116.42 117.99 1sjg h ASP 73 Ca -0.27 -0.33 0.07 0.00 -0.73 0.00 0.00 57.03 55.77 1sjg h ASP 73 Cb 1.07 -0.12 -0.07 0.00 -0.83 0.00 0.00 39.33 39.38 1sjg h ASP 73 CO 0.52 1.15 0.64 1.23 -1.03 0.00 0.00 179.24 181.75 1sjg h GLY 74 N 1.56 1.53 0.00 7.15 0.00 -1.94 -1.54 103.07 109.84 1sjg h GLY 74 Ca -0.07 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1sjg h GLY 74 CO 0.16 0.30 -1.22 2.41 0.00 0.00 0.00 176.54 178.19 1sjg n THR 75 N -4.53 0.00 -2.67 4.70 -1.04 -1.25 -5.00 114.28 104.50 1sjg n THR 75 Ca 0.16 -0.15 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 1sjg n THR 75 Cb 0.21 0.73 0.02 0.00 -1.82 0.00 0.00 70.33 69.47 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 1.43 0.55 2.91 3.41 0.00 -0.58 -4.92 105.19 107.99 1sjg n GLY 76 Ca 0.02 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.97 0.00 0.13 1.61 3.76 -0.69 -0.13 115.29 117.01 1sjg s HIS 77 Ca 0.12 0.00 -0.23 0.00 -0.15 0.00 0.00 55.06 54.80 1sjg s HIS 77 Cb -0.05 -0.01 -0.07 0.00 1.11 0.00 0.00 32.58 33.55 1sjg s HIS 77 CO 0.15 -0.04 0.71 0.20 -0.85 0.00 0.00 174.74 174.91 1sjg s GLY 78 N -0.18 2.84 0.07 -2.22 0.00 -0.37 -1.90 107.32 105.55 1sjg s GLY 78 Ca -0.02 0.26 -0.07 0.00 0.00 0.00 0.00 44.72 44.89 1sjg s GLY 78 CO -0.00 0.75 1.13 -2.22 0.00 0.00 0.00 173.10 172.76 1sjg h ILE 79 N 3.42 1.45 -3.55 0.90 2.04 -1.84 -3.29 117.51 116.65 1sjg h ILE 79 Ca -0.48 -2.94 -0.23 0.00 1.00 0.00 0.00 64.86 62.21 1sjg h ILE 79 Cb 1.21 2.92 -0.29 0.00 -0.74 0.00 0.00 36.82 39.92 1sjg h ILE 79 CO 0.65 0.87 -0.66 0.21 0.00 0.00 0.00 178.15 179.22 1sjg s ASN 80 N -7.23 -0.04 0.21 1.72 3.84 0.94 -3.78 114.94 110.61 1sjg s ASN 80 Ca -0.05 0.12 0.20 0.00 0.21 0.00 0.00 52.86 53.33 1sjg s ASN 80 Cb 0.07 0.09 0.89 0.00 -0.55 0.00 0.00 41.25 41.74 1sjg s ASN 80 CO 0.90 -0.05 1.60 -2.65 -2.79 0.00 0.00 177.10 174.11 1sjg n PRO 81 N 3.34 0.13 0.00 0.43 -0.02 -1.26 -4.18 135.00 133.45 1sjg n PRO 81 Ca -0.16 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1sjg n PRO 81 Cb 0.57 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1sjg n PRO 81 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1sjg n ASP 82 N -2.06 0.00 -0.11 2.55 -0.08 -1.24 -4.73 116.55 110.87 1sjg n ASP 82 Ca 0.01 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.40 1sjg n ASP 82 Cb 0.15 0.00 0.47 0.00 2.34 0.00 0.00 41.12 44.08 1sjg n ASP 82 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1sjg h ASP 83 N 0.00 0.43 -3.04 1.67 3.32 -1.91 -3.40 116.42 113.49 1sjg h ASP 83 Ca 0.00 0.01 -0.60 0.00 0.02 0.00 0.00 57.03 56.46 1sjg h ASP 83 Cb 0.00 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.42 1sjg h ASP 83 CO 0.00 0.26 -0.22 0.00 -1.72 0.00 0.00 179.24 177.56 1sjg s LEU 86 N -3.03 2.01 -0.12 0.00 1.43 0.82 -4.06 118.68 115.73 1sjg s LEU 86 Ca 0.23 -1.73 -0.01 0.00 -1.03 0.00 0.00 54.13 51.59 1sjg s LEU 86 Cb 0.05 -0.14 0.03 0.00 0.03 0.00 0.00 46.19 46.17 1sjg s LEU 86 CO 0.04 -0.99 -0.02 0.00 0.23 0.00 0.00 176.35 175.61 1sjg s ALA 87 N -3.13 1.02 -0.66 4.21 0.00 -1.26 -4.35 121.76 117.59 1sjg s ALA 87 Ca 0.19 -0.43 -0.24 0.00 0.00 0.00 0.00 51.96 51.48 1sjg s ALA 87 Cb 0.01 -0.92 0.05 0.00 0.00 0.00 0.00 23.12 22.27 1sjg s ALA 87 CO 0.13 -0.62 1.04 -2.00 0.00 0.00 0.00 175.76 174.31 1sjg s GLU 88 N 1.84 3.18 0.26 0.00 -6.30 -1.25 -3.58 118.70 112.84 1sjg s GLU 88 Ca 0.03 -0.56 -0.27 0.00 -2.50 0.00 0.00 54.97 51.67 1sjg s GLU 88 Cb -0.14 -4.18 -0.09 0.00 0.00 0.00 0.00 34.13 29.72 1sjg s GLU 88 CO -0.07 -1.83 0.90 0.71 0.02 0.00 0.00 175.26 174.99 1sjg s TYR 89 N 4.46 3.85 -0.04 5.30 2.02 0.20 -4.92 117.35 128.22 1sjg s TYR 89 Ca 0.27 1.79 -0.31 0.00 -0.37 0.00 0.00 57.07 58.45 1sjg s TYR 89 Cb -0.14 -2.90 -0.09 0.00 -0.40 0.00 0.00 41.96 38.43 1sjg s TYR 89 CO 0.13 0.37 1.99 -2.30 -1.57 0.00 0.00 175.55 174.18 1sjg n PRO 90 N 1.12 2.53 -4.32 -1.71 -0.02 -1.23 -3.94 135.00 127.43 1sjg n PRO 90 Ca -0.01 0.90 -0.19 0.00 -2.02 0.00 0.00 63.50 62.18 1sjg n PRO 90 Cb 0.49 -2.93 -0.15 0.00 -0.02 0.00 0.00 33.50 30.89 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 4.92 0.66 -0.01 -1.45 0.11 -1.26 0.03 120.40 123.40 1sjg s VAL 91 Ca 0.92 -0.32 0.03 0.00 -2.93 0.00 0.00 61.98 59.67 1sjg s VAL 91 Cb -0.50 -0.58 -0.01 0.00 -1.53 0.00 0.00 36.38 33.76 1sjg s VAL 91 CO 0.44 0.20 -0.08 -0.70 -3.33 0.00 0.00 175.10 171.63 1sjg s GLU 92 N 0.03 0.67 -0.20 1.54 2.12 0.19 -4.89 118.70 118.17 1sjg s GLU 92 Ca -0.00 -0.31 -0.08 0.00 0.36 0.00 0.00 54.97 54.95 1sjg s GLU 92 Cb -0.06 -0.65 -0.04 0.00 0.26 0.00 0.00 34.13 33.65 1sjg s GLU 92 CO -0.00 0.18 0.07 0.54 -0.54 0.00 0.00 175.26 175.51 1sjg s VAL 93 N -0.22 4.76 -0.48 3.70 0.11 -1.26 -0.35 120.40 126.65 1sjg s VAL 93 Ca 0.03 -0.04 0.04 0.00 -2.93 0.00 0.00 61.98 59.08 1sjg s VAL 93 Cb -0.03 -3.16 0.13 0.00 -1.53 0.00 0.00 36.38 31.78 1sjg s VAL 93 CO -0.00 0.43 0.23 -0.54 -3.33 0.00 0.00 175.10 171.89 1sjg s LYS 94 N 0.62 1.81 5.20 1.54 3.01 0.22 -4.99 119.74 127.15 1sjg s LYS 94 Ca 0.04 -2.43 0.00 0.00 -1.01 0.00 0.00 55.97 52.56 1sjg s LYS 94 Cb -0.13 -3.15 0.00 0.00 -1.01 0.00 0.00 37.83 33.54 1sjg s LYS 94 CO 0.01 -1.10 0.00 0.41 0.51 0.00 0.00 175.35 175.19 1sjg n GLY 95 N 3.32 1.06 0.00 -3.33 0.00 -1.26 -0.37 105.19 104.61 1sjg n GLY 95 Ca 0.05 0.39 0.10 0.00 0.00 0.00 0.00 46.02 46.56 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 10.13 0.87 -4.86 1.61 8.00 -1.26 -4.73 116.55 126.32 1sjg n ASP 96 Ca 0.00 -0.84 -0.37 0.00 0.71 0.00 0.00 54.79 54.30 1sjg n ASP 96 Cb 0.00 1.00 -0.06 0.00 -0.02 0.00 0.00 41.12 42.03 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 -3.14 6.24 -0.12 -2.24 1.11 0.50 0.51 116.67 119.54 1sjg s ASP 97 Ca 0.07 0.42 0.00 0.00 0.18 0.00 0.00 52.55 53.23 1sjg s ASP 97 Cb 0.16 -1.99 0.02 0.00 1.07 0.00 0.00 42.92 42.18 1sjg s ASP 97 CO 0.86 0.40 -0.11 -0.63 1.18 0.00 0.00 175.17 176.86 1sjg s ILE 98 N -1.03 1.29 0.03 0.77 1.01 -0.00 0.72 121.20 123.99 1sjg s ILE 98 Ca 0.15 -0.48 0.06 0.00 0.00 0.00 0.00 60.65 60.39 1sjg s ILE 98 Cb -0.12 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 1sjg s ILE 98 CO 0.05 0.41 -0.16 -0.31 0.00 0.00 0.00 174.94 174.93 1sjg s TYR 99 N 1.40 2.62 0.02 3.97 1.51 0.52 -1.30 117.35 126.09 1sjg s TYR 99 Ca 0.01 -0.21 0.01 0.00 -1.01 0.00 0.00 57.07 55.87 1sjg s TYR 99 Cb -0.13 -1.50 -0.01 0.00 -0.11 0.00 0.00 41.96 40.20 1sjg s TYR 99 CO -0.07 0.26 -0.05 0.54 -1.11 0.00 0.00 175.55 175.13 1sjg s VAL 100 N -0.91 0.32 -0.26 0.71 0.11 0.12 0.55 120.40 121.04 1sjg s VAL 100 Ca 0.15 -0.61 -0.04 0.00 -2.93 0.00 0.00 61.98 58.55 1sjg s VAL 100 Cb -0.11 -0.36 0.01 0.00 -1.53 0.00 0.00 36.38 34.40 1sjg s VAL 100 CO 0.05 -0.20 0.00 -0.44 -3.33 0.00 0.00 175.10 171.19 1sjg s SER 101 N -0.86 4.66 0.00 3.54 0.01 0.11 -0.57 113.70 120.59 1sjg s SER 101 Ca -0.06 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.52 1sjg s SER 101 Cb -0.06 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.40 1sjg s SER 101 CO -0.00 -0.13 0.00 1.07 0.41 0.00 0.00 173.24 174.59 1sjg n THR 102 N 4.78 0.00 -2.76 1.44 5.66 -1.26 -3.55 114.28 118.59 1sjg n THR 102 Ca -0.16 -0.13 -0.42 0.00 -3.05 0.00 0.00 64.05 60.28 1sjg n THR 102 Cb 0.48 0.94 -0.03 0.00 -1.55 0.00 0.00 70.33 70.17 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 -0.31 3.27 0.00 1.09 2.20 -1.26 -3.20 119.74 121.53 1sjg s LYS 103 Ca 0.00 -0.88 0.00 0.00 -0.36 0.00 0.00 55.97 54.73 1sjg s LYS 103 Cb 0.00 -4.47 0.00 0.00 -1.51 0.00 0.00 37.83 31.85 1sjg s LYS 103 CO 0.00 -1.94 0.00 0.41 -0.36 0.00 0.00 175.35 173.46 1sjg n GLY 104 N 5.56 2.18 3.76 5.54 0.00 -1.26 -5.04 105.19 115.93 1sjg n GLY 104 Ca 0.07 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 1sjg n GLY 104 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1sjg s ILE 105 N -0.15 4.75 -0.16 -0.61 2.07 -1.19 -5.03 121.20 120.88 1sjg s ILE 105 Ca 0.00 1.44 -0.27 0.00 -1.41 0.00 0.00 60.65 60.40 1sjg s ILE 105 Cb 0.00 -4.02 -0.01 0.00 0.13 0.00 0.00 42.46 38.56 1sjg s ILE 105 CO 0.00 0.43 0.93 -0.76 -1.91 0.00 0.00 174.94 173.63 1sjg s LEU 106 N -0.39 4.18 0.12 8.50 1.02 -1.26 -4.96 118.68 125.89 1sjg s LEU 106 Ca 0.34 1.32 -0.31 0.00 0.02 0.00 0.00 54.13 55.50 1sjg s LEU 106 Cb -0.20 -3.39 -0.08 0.00 0.02 0.00 0.00 46.19 42.54 1sjg s LEU 106 CO 0.21 -0.46 1.43 -2.84 0.02 0.00 0.00 176.35 174.70 1sjg s PRO 107 N 2.30 4.30 0.87 1.29 0.02 -1.26 -4.78 135.00 137.74 1sjg s PRO 107 Ca 0.42 2.12 -0.13 0.00 0.02 0.00 0.00 61.00 63.44 1sjg s PRO 107 Cb -0.17 -3.25 0.14 0.00 0.02 0.00 0.00 34.50 31.24 1sjg s PRO 107 CO 0.13 -0.48 1.23 -0.80 -0.33 0.00 0.00 177.00 176.75 1sjg s ASN 108 N 1.17 3.83 -0.51 2.53 0.01 -1.26 -4.80 114.94 115.91 1sjg s ASN 108 Ca 0.66 0.43 -0.31 0.00 -0.71 0.00 0.00 52.86 52.93 1sjg s ASN 108 Cb -0.38 -0.71 -0.11 0.00 0.41 0.00 0.00 41.25 40.46 1sjg s ASN 108 CO 0.30 -2.29 2.37 0.29 -1.51 0.00 0.00 177.10 176.27 1sjg n LYS 109 N -3.48 0.94 0.00 -0.60 4.76 -1.26 -2.67 118.16 115.85 1sjg n LYS 109 Ca 0.12 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 1sjg n LYS 109 Cb 0.60 -2.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.10 1sjg n LYS 109 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1sjg n ALA 110 N 12.29 0.00 -2.45 7.82 0.00 -1.26 -0.68 120.51 136.23 1sjg n ALA 110 Ca 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.79 1sjg n ALA 110 Cb 0.32 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.69 1sjg n ALA 110 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1sjg s HIS 111 N 0.00 0.35 0.00 0.00 3.76 -1.09 -4.92 115.29 113.39 1sjg s HIS 111 Ca 0.00 -0.79 0.00 0.00 -0.15 0.00 0.00 55.06 54.12 1sjg s HIS 111 Cb 0.00 -0.17 0.00 0.00 1.11 0.00 0.00 32.58 33.52 1sjg s HIS 111 CO 0.00 -0.54 0.00 0.45 -0.85 0.00 0.00 174.74 173.80