#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 3.80 -0.07 7.83 0.01 -1.26 -4.68 113.70 119.34 1sjg s SER 2 Ca 0.00 -0.35 -0.05 0.00 1.31 0.00 0.00 55.95 56.86 1sjg s SER 2 Cb 0.00 -1.38 0.02 0.00 0.21 0.00 0.00 66.02 64.87 1sjg s SER 2 CO 0.00 0.20 0.10 0.49 0.41 0.00 0.00 173.24 174.44 1sjg n PHE 3 N 3.25 -2.65 -4.36 2.43 3.72 -1.26 -4.98 117.46 113.61 1sjg n PHE 3 Ca -0.18 1.56 -0.33 0.00 -0.05 0.00 0.00 57.45 58.44 1sjg n PHE 3 Cb 0.53 -2.95 -0.09 0.00 -0.94 0.00 0.00 39.48 36.02 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 -0.95 2.80 -0.11 -1.08 2.02 0.16 -4.77 118.70 116.77 1sjg s GLU 4 Ca -0.11 -0.57 -0.29 0.00 0.02 0.00 0.00 54.97 54.01 1sjg s GLU 4 Cb 0.01 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.53 1sjg s GLU 4 CO 0.30 0.64 1.55 0.21 0.02 0.00 0.00 175.26 177.99 1sjg s LYS 5 N -1.32 4.14 -0.06 1.61 2.47 -1.26 -0.23 119.74 125.10 1sjg s LYS 5 Ca 0.17 1.98 -0.02 0.00 -1.56 0.00 0.00 55.97 56.54 1sjg s LYS 5 Cb -0.11 -3.94 -0.03 0.00 -1.46 0.00 0.00 37.83 32.29 1sjg s LYS 5 CO 0.07 -0.88 -0.07 1.51 0.16 0.00 0.00 175.35 176.15 1sjg n ILE 6 N 5.58 0.31 -2.93 5.43 0.13 -1.02 -4.95 119.36 121.91 1sjg n ILE 6 Ca 0.17 -0.09 0.00 0.00 -1.10 0.00 0.00 62.75 61.73 1sjg n ILE 6 Cb 0.44 -1.35 0.00 0.00 -0.84 0.00 0.00 39.64 37.88 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 -0.45 1.91 0.36 0.00 1.04 -1.26 -1.54 113.70 113.77 1sjg s SER 8 Ca 0.00 -0.72 0.27 0.00 0.48 0.00 0.00 55.95 55.98 1sjg s SER 8 Cb 0.00 -0.07 1.22 0.00 0.10 0.00 0.00 66.02 67.27 1sjg s SER 8 CO 0.00 -0.10 1.81 0.25 0.98 0.00 0.00 173.24 176.18 1sjg h LEU 9 N 3.88 0.00 -1.86 2.42 7.12 -0.83 -0.50 115.31 125.54 1sjg h LEU 9 Ca -0.41 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.59 1sjg h LEU 9 Cb 1.19 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.32 1sjg h LEU 9 CO 0.45 0.00 -0.07 -0.78 -0.13 0.00 0.00 178.44 177.91 1sjg h ASP 10 N 0.00 0.00 0.16 1.25 1.82 -1.91 -2.97 116.42 114.77 1sjg h ASP 10 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 1sjg h ASP 10 Cb 0.29 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.30 1sjg h ASP 10 CO 0.00 0.07 -0.08 0.44 -1.61 0.00 0.00 179.24 178.07 1sjg h ASP 11 N 0.00 -0.18 -3.47 2.28 3.32 -1.45 -3.44 116.42 113.48 1sjg h ASP 11 Ca -0.00 0.01 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 1sjg h ASP 11 Cb 0.13 0.05 -0.28 0.00 0.22 0.00 0.00 39.33 39.45 1sjg h ASP 11 CO 0.01 0.28 -0.70 0.27 -1.72 0.00 0.00 179.24 177.37 1sjg s ILE 12 N -2.22 3.44 0.47 0.35 -0.00 -1.12 -4.94 121.20 117.17 1sjg s ILE 12 Ca -0.03 -0.61 0.07 0.00 -0.00 0.00 0.00 60.65 60.08 1sjg s ILE 12 Cb 0.00 -2.64 0.03 0.00 -0.00 0.00 0.00 42.46 39.85 1sjg s ILE 12 CO 0.09 0.31 0.64 0.26 -0.00 0.00 0.00 174.94 176.25 1sjg s TRP 13 N 1.46 2.52 -0.32 1.37 0.52 -1.24 -4.57 118.94 118.67 1sjg s TRP 13 Ca 0.04 -0.42 -0.36 0.00 0.02 0.00 0.00 56.10 55.38 1sjg s TRP 13 Cb -0.15 -2.40 -0.12 0.00 -1.15 0.00 0.00 33.47 29.65 1sjg s TRP 13 CO -0.02 -0.64 2.12 1.55 0.02 0.00 0.00 176.95 179.99 1sjg n VAL 14 N -2.00 0.23 -0.11 4.03 3.14 -1.26 -0.10 118.33 122.26 1sjg n VAL 14 Ca 0.10 -0.23 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 1sjg n VAL 14 Cb 0.60 -1.63 0.00 0.00 -1.06 0.00 0.00 33.84 31.74 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 6.16 0.85 3.68 7.55 0.00 0.12 -4.89 105.19 118.66 1sjg n GLY 15 Ca 0.38 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.11 1sjg n GLY 15 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sjg s GLU 16 N -0.89 2.50 -0.14 1.61 2.56 0.85 -4.96 118.70 120.23 1sjg s GLU 16 Ca 0.00 -0.93 -0.12 0.00 0.00 0.00 0.00 54.97 53.92 1sjg s GLU 16 Cb 0.00 -2.48 0.04 0.00 2.00 0.00 0.00 34.13 33.69 1sjg s GLU 16 CO 0.00 0.51 0.38 0.00 -0.56 0.00 0.00 175.26 175.59 1sjg s MET 17 N -2.53 0.42 0.03 4.30 0.23 -1.26 -0.93 119.30 119.56 1sjg s MET 17 Ca 0.26 0.58 -0.14 0.00 -1.03 0.00 0.00 55.69 55.36 1sjg s MET 17 Cb -0.11 0.15 0.02 0.00 -1.53 0.00 0.00 34.83 33.36 1sjg s MET 17 CO 0.18 -0.08 0.30 -1.21 -2.03 0.00 0.00 175.02 172.18 1sjg s GLU 18 N 0.50 0.76 -0.02 3.16 2.02 -0.74 -4.67 118.70 119.71 1sjg s GLU 18 Ca -0.02 -0.42 -0.16 0.00 0.02 0.00 0.00 54.97 54.39 1sjg s GLU 18 Cb -0.04 0.33 -0.06 0.00 0.10 0.00 0.00 34.13 34.46 1sjg s GLU 18 CO -0.03 -0.23 0.43 -0.08 0.02 0.00 0.00 175.26 175.37 1sjg s THR 19 N -2.20 5.04 0.05 3.63 -1.32 -1.26 -0.53 115.64 119.06 1sjg s THR 19 Ca -0.07 0.88 0.04 0.00 -1.21 0.00 0.00 61.69 61.32 1sjg s THR 19 Cb -0.02 -3.74 -0.03 0.00 -1.51 0.00 0.00 72.50 67.20 1sjg s THR 19 CO -0.01 0.53 -0.12 -0.36 -2.21 0.00 0.00 174.62 172.45 1sjg s PHE 20 N -0.77 1.02 0.02 9.09 0.08 0.75 -4.92 117.98 123.26 1sjg s PHE 20 Ca 0.24 -0.44 -0.05 0.00 0.12 0.00 0.00 56.93 56.81 1sjg s PHE 20 Cb -0.17 -0.59 -0.05 0.00 -0.57 0.00 0.00 43.02 41.65 1sjg s PHE 20 CO 0.13 0.01 0.25 -2.00 -0.10 0.00 0.00 175.22 173.51 1sjg s GLU 21 N -1.52 3.53 0.91 0.44 2.12 -1.26 -0.01 118.70 122.91 1sjg s GLU 21 Ca -0.04 -0.17 -0.12 0.00 0.36 0.00 0.00 54.97 55.00 1sjg s GLU 21 Cb -0.09 -3.06 0.19 0.00 0.26 0.00 0.00 34.13 31.43 1sjg s GLU 21 CO 0.01 0.63 1.25 0.95 -0.54 0.00 0.00 175.26 177.57 1sjg s THR 22 N -1.36 2.02 -0.79 -1.70 -4.23 0.14 -4.91 115.64 104.81 1sjg s THR 22 Ca 0.29 -0.16 0.19 0.00 -1.18 0.00 0.00 61.69 60.83 1sjg s THR 22 Cb -0.13 -2.86 0.18 0.00 1.34 0.00 0.00 72.50 71.03 1sjg s THR 22 CO 0.19 0.00 1.58 -1.20 -0.54 0.00 0.00 174.62 174.65 1sjg n SER 23 N -3.55 0.28 0.04 3.99 7.64 -1.26 -1.90 113.62 118.85 1sjg n SER 23 Ca 0.16 0.57 0.12 0.00 1.01 0.00 0.00 58.87 60.72 1sjg n SER 23 Cb 0.60 -0.63 0.10 0.00 -1.01 0.00 0.00 64.21 63.27 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 -1.80 0.64 0.00 6.43 2.03 -1.26 -4.94 116.55 117.65 1sjg n ASP 24 Ca 0.03 -0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.26 1sjg n ASP 24 Cb 0.21 0.50 0.00 0.00 -0.72 0.00 0.00 41.12 41.10 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 1.37 0.80 3.71 0.27 0.00 -0.80 -5.06 105.19 105.47 1sjg n GLY 25 Ca 0.03 -0.21 -0.36 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 5.32 -0.13 2.61 2.01 -1.26 -4.25 115.64 117.94 1sjg s THR 26 Ca 0.00 0.43 -0.20 0.00 0.31 0.00 0.00 61.69 62.24 1sjg s THR 26 Cb 0.00 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1sjg s THR 26 CO 0.00 0.37 0.56 -1.61 -0.69 0.00 0.00 174.62 173.25 1sjg s GLU 27 N 0.69 4.32 -0.01 4.92 2.02 -1.26 0.27 118.70 129.65 1sjg s GLU 27 Ca 0.14 0.58 0.07 0.00 0.02 0.00 0.00 54.97 55.78 1sjg s GLU 27 Cb -0.13 -3.48 -0.02 0.00 0.10 0.00 0.00 34.13 30.60 1sjg s GLU 27 CO 0.03 0.02 -0.22 0.08 0.02 0.00 0.00 175.26 175.20 1sjg s VAL 28 N 1.03 2.43 -0.31 2.63 1.01 0.98 -0.62 120.40 127.54 1sjg s VAL 28 Ca 0.29 -1.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 1sjg s VAL 28 Cb -0.16 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 1sjg s VAL 28 CO 0.12 0.51 0.41 -0.22 0.00 0.00 0.00 175.10 175.92 1sjg s LEU 29 N -0.88 4.25 -0.37 3.92 2.96 0.83 -0.18 118.68 129.21 1sjg s LEU 29 Ca 0.11 0.04 -0.14 0.00 -0.22 0.00 0.00 54.13 53.93 1sjg s LEU 29 Cb -0.10 -2.45 0.00 0.00 0.50 0.00 0.00 46.19 44.14 1sjg s LEU 29 CO 0.01 -0.32 0.27 -0.63 -1.32 0.00 0.00 176.35 174.36 1sjg s ILE 30 N 2.15 5.26 -0.12 6.68 1.09 0.32 -2.74 121.20 133.83 1sjg s ILE 30 Ca 0.15 -0.43 0.00 0.00 -1.10 0.00 0.00 60.65 59.27 1sjg s ILE 30 Cb -0.16 -3.81 -0.01 0.00 -1.06 0.00 0.00 42.46 37.42 1sjg s ILE 30 CO 0.11 -0.15 -0.14 -0.69 -0.10 0.00 0.00 174.94 173.97 1sjg s VAL 31 N 1.70 2.97 -0.40 2.92 1.01 -0.11 -1.80 120.40 126.68 1sjg s VAL 31 Ca 0.06 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.24 1sjg s VAL 31 Cb -0.18 -2.23 0.06 0.00 0.00 0.00 0.00 36.38 34.02 1sjg s VAL 31 CO 0.10 0.53 0.25 0.21 0.00 0.00 0.00 175.10 176.19 1sjg s ASN 32 N 0.29 5.70 0.37 3.32 2.47 -0.10 -0.12 114.94 126.86 1sjg s ASN 32 Ca -0.10 -1.30 -0.24 0.00 0.42 0.00 0.00 52.86 51.63 1sjg s ASN 32 Cb -0.16 -2.01 -0.10 0.00 -1.45 0.00 0.00 41.25 37.53 1sjg s ASN 32 CO 0.06 -0.49 0.96 -0.55 -3.72 0.00 0.00 177.10 173.36 1sjg s SER 33 N 1.93 7.12 0.15 -4.21 0.15 0.22 0.16 113.70 119.22 1sjg s SER 33 Ca 0.02 1.81 -0.19 0.00 0.70 0.00 0.00 55.95 58.30 1sjg s SER 33 Cb -0.22 -2.57 0.03 0.00 -1.71 0.00 0.00 66.02 61.56 1sjg s SER 33 CO 0.04 -0.22 1.68 -0.33 1.20 0.00 0.00 173.24 175.61 1sjg h GLU 34 N 2.65 -0.02 0.00 5.44 3.07 -1.90 -2.75 114.58 121.07 1sjg h GLU 34 Ca -0.48 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.20 1sjg h GLU 34 Cb 1.19 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.07 1sjg h GLU 34 CO 0.63 -0.01 -1.70 0.39 -1.40 0.00 0.00 179.01 176.92 1sjg n GLU 35 N -5.26 0.97 0.08 2.33 1.02 -1.26 -4.71 120.64 113.81 1sjg n GLU 35 Ca -0.00 0.05 -0.04 0.00 -0.02 0.00 0.00 57.16 57.14 1sjg n GLU 35 Cb 0.18 -1.25 -0.08 0.00 -0.02 0.00 0.00 31.44 30.27 1sjg n GLU 35 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1sjg h HIS 36 N 0.00 0.00 0.00 -0.32 2.76 -1.98 -3.49 115.15 112.11 1sjg h HIS 36 Ca -0.27 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.90 1sjg h HIS 36 Cb 1.48 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.44 1sjg h HIS 36 CO 0.01 0.85 0.00 0.41 -1.30 0.00 0.00 177.93 177.90 1sjg n GLY 37 N 1.31 0.05 3.76 5.26 0.00 -1.04 -4.92 105.19 109.60 1sjg n GLY 37 Ca 0.01 -1.87 -0.39 0.00 0.00 0.00 0.00 46.02 43.77 1sjg n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sjg s VAL 38 N 0.00 4.77 -0.06 1.61 0.11 -1.26 0.70 120.40 126.27 1sjg s VAL 38 Ca 0.00 1.48 0.02 0.00 -2.93 0.00 0.00 61.98 60.55 1sjg s VAL 38 Cb 0.00 -4.04 0.01 0.00 -1.53 0.00 0.00 36.38 30.82 1sjg s VAL 38 CO 0.00 0.41 -0.11 -0.54 -3.33 0.00 0.00 175.10 171.52 1sjg s LYS 39 N -0.24 1.62 -0.22 1.54 1.02 0.83 -4.94 119.74 119.34 1sjg s LYS 39 Ca 0.35 -0.38 0.01 0.00 0.02 0.00 0.00 55.97 55.96 1sjg s LYS 39 Cb -0.20 -1.35 0.05 0.00 -0.52 0.00 0.00 37.83 35.82 1sjg s LYS 39 CO 0.21 0.02 -0.07 0.00 -0.92 0.00 0.00 175.35 174.59 1sjg s ALA 40 N 0.68 1.94 0.04 5.17 0.00 -1.26 -0.93 121.76 127.39 1sjg s ALA 40 Ca -0.14 -1.28 -0.07 0.00 0.00 0.00 0.00 51.96 50.47 1sjg s ALA 40 Cb -0.16 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.58 1sjg s ALA 40 CO 0.03 -1.07 0.12 1.52 0.00 0.00 0.00 175.76 176.37 1sjg s TYR 41 N 1.41 0.15 0.24 0.00 1.13 -1.11 0.03 117.35 119.21 1sjg s TYR 41 Ca -0.04 -0.42 -0.30 0.00 -1.41 0.00 0.00 57.07 54.89 1sjg s TYR 41 Cb -0.18 -0.11 -0.14 0.00 -1.10 0.00 0.00 41.96 40.43 1sjg s TYR 41 CO -0.07 -0.38 1.15 0.00 -2.51 0.00 0.00 175.55 173.74 1sjg n GLN 42 N 0.79 1.44 0.05 -3.49 10.64 -1.22 -0.12 117.38 125.47 1sjg n GLN 42 Ca -0.19 0.51 -0.11 0.00 -1.83 0.00 0.00 57.00 55.38 1sjg n GLN 42 Cb 0.58 -1.99 -0.08 0.00 -0.86 0.00 0.00 30.24 27.90 1sjg n GLN 42 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1sjg h ALA 43 N 2.91 -0.20 -2.27 2.61 0.00 -1.13 -3.41 119.26 117.77 1sjg h ALA 43 Ca -0.42 -0.24 -0.49 0.00 0.00 0.00 0.00 54.91 53.77 1sjg h ALA 43 Cb 1.33 0.08 0.03 0.00 0.00 0.00 0.00 17.79 19.23 1sjg h ALA 43 CO 0.67 -0.29 0.07 0.00 0.00 0.00 0.00 179.25 179.70 1sjg s MET 44 N -3.43 3.42 -1.03 0.00 0.23 -1.26 -4.84 119.30 112.39 1sjg s MET 44 Ca -0.13 0.07 -0.17 0.00 -1.03 0.00 0.00 55.69 54.43 1sjg s MET 44 Cb 0.00 -2.40 0.15 0.00 -1.53 0.00 0.00 34.83 31.05 1sjg s MET 44 CO 0.49 -0.24 1.24 0.00 -2.03 0.00 0.00 175.02 174.48 1sjg n PRO 46 N 6.21 0.00 -3.71 0.00 -0.02 -1.26 -4.81 135.00 131.41 1sjg n PRO 46 Ca 0.29 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.65 1sjg n PRO 46 Cb 0.47 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.83 1sjg n PRO 46 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1sjg s HIS 47 N 0.00 -0.50 0.17 6.00 3.76 -1.26 -4.74 115.29 118.71 1sjg s HIS 47 Ca 0.00 1.11 0.00 0.00 -0.15 0.00 0.00 55.06 56.02 1sjg s HIS 47 Cb 0.00 0.19 0.00 0.00 1.11 0.00 0.00 32.58 33.88 1sjg s HIS 47 CO 0.00 -0.30 0.00 0.94 -0.85 0.00 0.00 174.74 174.53 1sjg n GLN 48 N 4.26 -3.35 -2.80 1.40 7.27 -1.26 -4.83 117.38 118.08 1sjg n GLN 48 Ca -0.24 2.51 -0.43 0.00 0.07 0.00 0.00 57.00 58.91 1sjg n GLN 48 Cb 0.54 -2.59 -0.04 0.00 2.41 0.00 0.00 30.24 30.57 1sjg n GLN 48 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 1sjg s GLU 49 N -2.04 3.25 0.04 3.69 1.03 -1.25 -4.96 118.70 118.46 1sjg s GLU 49 Ca 0.00 -0.41 -0.18 0.00 0.03 0.00 0.00 54.97 54.41 1sjg s GLU 49 Cb 0.00 -4.12 0.04 0.00 -0.80 0.00 0.00 34.13 29.24 1sjg s GLU 49 CO 0.00 -1.68 0.41 -1.50 -1.33 0.00 0.00 175.26 171.16 1sjg s ILE 50 N 4.26 0.06 -1.27 1.83 1.10 -1.26 -5.06 121.20 120.85 1sjg s ILE 50 Ca 0.29 -0.46 -0.19 0.00 -0.51 0.00 0.00 60.65 59.78 1sjg s ILE 50 Cb -0.13 -0.95 0.04 0.00 0.15 0.00 0.00 42.46 41.58 1sjg s ILE 50 CO 0.16 -0.25 1.76 -0.76 -2.11 0.00 0.00 174.94 173.74 1sjg s LEU 51 N -2.00 3.70 0.48 8.50 1.02 -1.26 -4.72 118.68 124.40 1sjg s LEU 51 Ca -0.05 -2.28 0.30 0.00 0.02 0.00 0.00 54.13 52.11 1sjg s LEU 51 Cb -0.01 -2.58 1.04 0.00 0.02 0.00 0.00 46.19 44.66 1sjg s LEU 51 CO -0.02 -1.49 1.85 0.17 0.02 0.00 0.00 176.35 176.88 1sjg h LEU 52 N 13.41 0.00 -2.38 1.79 -0.00 -1.95 -3.36 115.31 122.83 1sjg h LEU 52 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.28 1sjg h LEU 52 Cb 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.55 1sjg h LEU 52 CO 1.42 0.00 0.18 0.77 -0.00 0.00 0.00 178.44 180.81 1sjg h SER 53 N 0.00 0.00 0.75 0.17 4.64 -1.93 0.32 113.55 117.51 1sjg h SER 53 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sjg h SER 53 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1sjg h SER 53 CO 0.00 0.00 -0.21 -0.62 -0.87 0.00 0.00 176.83 175.13 1sjg n GLU 54 N -2.93 0.04 -3.10 4.77 1.02 -1.26 -4.40 120.64 114.78 1sjg n GLU 54 Ca -0.02 -0.01 -0.19 0.00 -0.02 0.00 0.00 57.16 56.92 1sjg n GLU 54 Cb 0.24 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.11 1sjg n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sjg n GLY 55 N 1.49 1.48 1.03 0.62 0.00 0.11 -4.98 105.19 104.94 1sjg n GLY 55 Ca 0.07 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1sjg n GLY 55 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sjg n SER 56 N 2.24 0.00 -4.55 1.61 7.64 -1.20 -4.53 113.62 114.83 1sjg n SER 56 Ca 0.22 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.67 1sjg n SER 56 Cb 0.53 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.67 1sjg n SER 56 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1sjg s TYR 57 N -0.67 3.11 -0.32 1.43 6.14 -1.26 0.08 117.35 125.86 1sjg s TYR 57 Ca 0.00 0.18 0.03 0.00 0.64 0.00 0.00 57.07 57.91 1sjg s TYR 57 Cb 0.00 -3.23 0.08 0.00 0.42 0.00 0.00 41.96 39.23 1sjg s TYR 57 CO 0.00 -0.73 0.01 -2.00 0.64 0.00 0.00 175.55 173.47 1sjg s GLU 58 N 2.76 1.85 0.00 4.97 2.12 0.94 -4.92 118.70 126.42 1sjg s GLU 58 Ca 0.24 -1.65 0.00 0.00 0.36 0.00 0.00 54.97 53.91 1sjg s GLU 58 Cb -0.14 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.11 1sjg s GLU 58 CO 0.17 -0.81 0.00 0.41 -0.54 0.00 0.00 175.26 174.49 1sjg n GLY 59 N 4.37 0.92 0.12 -1.50 0.00 -1.26 -0.93 105.19 106.91 1sjg n GLY 59 Ca -0.04 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.16 3.46 -0.02 0.00 -1.26 -5.08 105.19 102.45 1sjg n GLY 60 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 3.30 -0.12 1.61 1.01 -0.10 -1.49 120.40 124.61 1sjg s VAL 61 Ca 0.00 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 1sjg s VAL 61 Cb 0.00 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1sjg s VAL 61 CO 0.00 0.55 0.14 -0.63 0.00 0.00 0.00 175.10 175.16 1sjg s ILE 62 N -0.15 5.48 -0.35 2.22 -1.09 0.61 -0.04 121.20 127.87 1sjg s ILE 62 Ca 0.00 0.20 -0.26 0.00 -2.23 0.00 0.00 60.65 58.36 1sjg s ILE 62 Cb -0.13 -3.39 0.01 0.00 -1.58 0.00 0.00 42.46 37.37 1sjg s ILE 62 CO 0.03 0.61 0.94 -0.89 -1.23 0.00 0.00 174.94 174.40 1sjg s THR 63 N -0.95 4.59 -0.25 2.92 2.01 0.11 -0.90 115.64 123.18 1sjg s THR 63 Ca 0.15 1.30 -0.28 0.00 0.31 0.00 0.00 61.69 63.16 1sjg s THR 63 Cb -0.12 -4.33 0.01 0.00 0.01 0.00 0.00 72.50 68.07 1sjg s THR 63 CO 0.04 -0.49 1.00 0.00 -0.69 0.00 0.00 174.62 174.48 1sjg h ARG 65 N 7.61 -1.25 0.00 0.00 9.65 -1.88 -3.14 114.38 125.37 1sjg h ARG 65 Ca -0.20 0.09 -0.18 0.00 -1.10 0.00 0.00 59.98 58.59 1sjg h ARG 65 Cb 1.07 0.28 -0.03 0.00 -1.39 0.00 0.00 29.97 29.90 1sjg h ARG 65 CO 0.97 -0.83 -1.67 0.00 2.80 0.00 0.00 179.97 181.24 1sjg n ALA 66 N -2.67 1.75 -0.16 2.80 0.00 -1.26 -4.73 120.51 116.24 1sjg n ALA 66 Ca -0.16 -0.51 -0.05 0.00 0.00 0.00 0.00 53.44 52.71 1sjg n ALA 66 Cb 0.51 0.21 0.04 0.00 0.00 0.00 0.00 19.45 20.21 1sjg n ALA 66 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1sjg h HIS 67 N 0.00 0.51 0.00 0.00 3.86 -1.97 -3.47 115.15 114.09 1sjg h HIS 67 Ca -0.26 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 1sjg h HIS 67 Cb 1.42 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.73 1sjg h HIS 67 CO 0.01 0.28 0.00 -0.11 0.86 0.00 0.00 177.93 178.97 1sjg n LEU 68 N -4.84 0.00 0.00 2.43 -0.00 -1.26 -4.90 117.00 108.43 1sjg n LEU 68 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.05 1sjg n LEU 68 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 1sjg n LEU 68 CO 0.31 0.00 0.00 -2.67 -0.00 0.00 0.00 177.39 175.03 1sjg n TRP 69 N 0.00 0.00 -3.84 1.96 2.14 -1.19 -4.80 117.44 111.72 1sjg n TRP 69 Ca 0.00 0.00 -0.35 0.00 2.07 0.00 0.00 57.50 59.22 1sjg n TRP 69 Cb 0.00 0.00 -0.09 0.00 -0.81 0.00 0.00 31.31 30.41 1sjg n TRP 69 CO 0.00 0.00 0.00 0.95 2.07 0.00 0.00 177.69 180.71 1sjg s THR 70 N 0.00 5.10 -0.01 -1.67 -4.23 -1.26 -2.17 115.64 111.41 1sjg s THR 70 Ca 0.00 0.08 0.01 0.00 -1.18 0.00 0.00 61.69 60.60 1sjg s THR 70 Cb 0.00 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.51 1sjg s THR 70 CO 0.00 0.43 -0.03 0.12 -0.54 0.00 0.00 174.62 174.60 1sjg s PHE 71 N 0.52 0.30 -0.42 3.99 2.19 -0.08 -3.97 117.98 120.49 1sjg s PHE 71 Ca 0.06 -0.05 -0.22 0.00 0.33 0.00 0.00 56.93 57.05 1sjg s PHE 71 Cb -0.12 -0.21 0.02 0.00 -1.31 0.00 0.00 43.02 41.40 1sjg s PHE 71 CO 0.00 -0.02 0.71 1.21 1.83 0.00 0.00 175.22 178.95 1sjg s ASN 72 N 0.03 6.39 0.19 6.13 3.84 -1.22 -0.28 114.94 130.02 1sjg s ASN 72 Ca 0.00 -0.12 0.02 0.00 0.21 0.00 0.00 52.86 52.97 1sjg s ASN 72 Cb -0.03 -2.35 0.09 0.00 -0.55 0.00 0.00 41.25 38.42 1sjg s ASN 72 CO -0.00 -0.80 1.45 -0.78 -2.79 0.00 0.00 177.10 174.18 1sjg h ASP 73 N 8.82 0.32 -0.86 -4.21 3.58 -1.55 -0.50 116.42 122.02 1sjg h ASP 73 Ca -0.25 -0.22 0.07 0.00 0.42 0.00 0.00 57.03 57.05 1sjg h ASP 73 Cb 1.09 -0.10 -0.07 0.00 1.72 0.00 0.00 39.33 41.98 1sjg h ASP 73 CO 0.91 0.96 0.53 1.23 -2.88 0.00 0.00 179.24 179.99 1sjg h GLY 74 N 1.57 1.32 0.50 -0.78 0.00 -1.92 -2.34 103.07 101.43 1sjg h GLY 74 Ca -0.03 -0.37 -0.28 0.00 0.00 0.00 0.00 47.33 46.65 1sjg h GLY 74 CO 0.12 0.22 -1.96 2.41 0.00 0.00 0.00 176.54 177.33 1sjg n THR 75 N -4.65 1.32 -0.86 4.70 -1.04 -1.24 -4.97 114.28 107.54 1sjg n THR 75 Ca 0.13 -0.78 0.00 0.00 -2.04 0.00 0.00 64.05 61.36 1sjg n THR 75 Cb 0.22 -0.67 0.00 0.00 -1.82 0.00 0.00 70.33 68.06 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 1.58 0.48 2.92 3.41 0.00 -0.23 -5.00 105.19 108.35 1sjg n GLY 76 Ca -0.21 -0.84 -0.16 0.00 0.00 0.00 0.00 46.02 44.81 1sjg n GLY 76 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1sjg s HIS 77 N -2.00 0.42 0.20 1.61 2.46 -0.99 -0.40 115.29 116.59 1sjg s HIS 77 Ca 0.00 -0.08 -0.30 0.00 0.47 0.00 0.00 55.06 55.16 1sjg s HIS 77 Cb 0.00 -0.32 -0.08 0.00 -0.13 0.00 0.00 32.58 32.05 1sjg s HIS 77 CO 0.00 -0.04 1.01 0.20 -2.47 0.00 0.00 174.74 173.44 1sjg s GLY 78 N 0.15 3.01 -0.07 1.59 0.00 0.07 -3.38 107.32 108.69 1sjg s GLY 78 Ca -0.01 0.71 -0.19 0.00 0.00 0.00 0.00 44.72 45.23 1sjg s GLY 78 CO -0.00 1.43 0.74 -2.22 0.00 0.00 0.00 173.10 173.04 1sjg h ILE 79 N 3.48 1.28 -1.61 0.90 2.04 -1.88 -3.32 117.51 118.41 1sjg h ILE 79 Ca -0.45 -2.48 -0.08 0.00 1.00 0.00 0.00 64.86 62.85 1sjg h ILE 79 Cb 1.21 2.97 -0.27 0.00 -0.74 0.00 0.00 36.82 39.98 1sjg h ILE 79 CO 0.70 0.71 -0.42 0.21 0.00 0.00 0.00 178.15 179.35 1sjg s ASN 80 N -7.03 -0.26 0.49 1.72 2.47 -1.26 -3.36 114.94 107.71 1sjg s ASN 80 Ca -0.16 0.38 -0.21 0.00 0.42 0.00 0.00 52.86 53.29 1sjg s ASN 80 Cb 0.03 1.44 -0.07 0.00 -1.45 0.00 0.00 41.25 41.19 1sjg s ASN 80 CO 0.80 -0.29 1.10 -2.16 -3.72 0.00 0.00 177.10 172.83 1sjg s PRO 81 N 2.64 3.67 0.17 0.43 0.04 -1.26 -4.32 135.00 136.38 1sjg s PRO 81 Ca 0.15 1.55 0.17 0.00 0.04 0.00 0.00 61.00 62.91 1sjg s PRO 81 Cb -0.15 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 1sjg s PRO 81 CO -0.18 -0.57 1.09 0.22 0.04 0.00 0.00 177.00 177.60 1sjg h ASP 82 N 1.63 0.00 -0.68 6.66 3.58 -1.65 -3.36 116.42 122.61 1sjg h ASP 82 Ca -0.50 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 56.93 1sjg h ASP 82 Cb 1.24 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.26 1sjg h ASP 82 CO 0.59 0.47 0.34 -0.78 -2.88 0.00 0.00 179.24 176.98 1sjg h ASP 83 N 0.00 0.89 -3.15 2.28 3.58 -1.90 -3.41 116.42 114.70 1sjg h ASP 83 Ca -0.08 -0.09 -0.56 0.00 0.42 0.00 0.00 57.03 56.72 1sjg h ASP 83 Cb 1.43 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 42.23 1sjg h ASP 83 CO 0.05 0.74 -0.27 0.00 -2.88 0.00 0.00 179.24 176.88 1sjg s LEU 86 N 0.22 5.29 0.01 0.00 1.02 0.47 -4.58 118.68 121.10 1sjg s LEU 86 Ca -0.00 -1.91 -0.30 0.00 0.02 0.00 0.00 54.13 51.93 1sjg s LEU 86 Cb -0.03 -1.89 -0.05 0.00 0.02 0.00 0.00 46.19 44.25 1sjg s LEU 86 CO 0.01 -0.57 1.22 0.00 0.02 0.00 0.00 176.35 177.03 1sjg s ALA 87 N 1.23 3.45 0.63 4.21 0.00 -1.26 -4.72 121.76 125.30 1sjg s ALA 87 Ca 0.06 0.77 -0.11 0.00 0.00 0.00 0.00 51.96 52.68 1sjg s ALA 87 Cb -0.24 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.37 1sjg s ALA 87 CO -0.03 -0.61 1.03 -1.21 0.00 0.00 0.00 175.76 174.95 1sjg s GLU 88 N 1.63 3.47 0.10 0.00 8.01 -1.26 -3.37 118.70 127.28 1sjg s GLU 88 Ca 0.58 0.69 0.09 0.00 0.01 0.00 0.00 54.97 56.34 1sjg s GLU 88 Cb -0.28 -2.08 -0.04 0.00 -4.31 0.00 0.00 34.13 27.43 1sjg s GLU 88 CO 0.26 -0.64 -0.22 0.71 0.01 0.00 0.00 175.26 175.38 1sjg s TYR 89 N -3.20 2.43 0.02 1.61 2.02 0.10 -4.95 117.35 115.38 1sjg s TYR 89 Ca 0.55 -0.33 -0.30 0.00 -0.37 0.00 0.00 57.07 56.63 1sjg s TYR 89 Cb -0.11 -1.34 -0.08 0.00 -0.40 0.00 0.00 41.96 40.03 1sjg s TYR 89 CO 0.53 0.31 1.82 -2.14 -1.57 0.00 0.00 175.55 174.50 1sjg s PRO 90 N -1.87 4.16 -0.06 -1.71 0.02 -1.26 -4.45 135.00 129.83 1sjg s PRO 90 Ca 0.15 2.44 0.05 0.00 0.02 0.00 0.00 61.00 63.66 1sjg s PRO 90 Cb -0.10 -3.98 -0.00 0.00 0.02 0.00 0.00 34.50 30.43 1sjg s PRO 90 CO 0.07 -0.88 -0.21 0.54 -0.33 0.00 0.00 177.00 176.19 1sjg s VAL 91 N 3.93 1.73 -0.05 3.83 0.11 -1.26 -0.72 120.40 127.96 1sjg s VAL 91 Ca 0.81 -0.87 0.05 0.00 -2.93 0.00 0.00 61.98 59.05 1sjg s VAL 91 Cb -0.40 -1.49 -0.01 0.00 -1.53 0.00 0.00 36.38 32.96 1sjg s VAL 91 CO 0.36 0.49 -0.21 -1.61 -3.33 0.00 0.00 175.10 170.80 1sjg s GLU 92 N 0.10 2.22 -0.21 1.54 2.02 0.95 -4.99 118.70 120.33 1sjg s GLU 92 Ca -0.08 -0.77 -0.03 0.00 0.02 0.00 0.00 54.97 54.11 1sjg s GLU 92 Cb -0.14 -1.89 -0.01 0.00 0.10 0.00 0.00 34.13 32.20 1sjg s GLU 92 CO 0.04 0.31 -0.07 0.54 0.02 0.00 0.00 175.26 176.10 1sjg s VAL 93 N -0.05 3.20 -0.48 2.63 0.11 -1.26 -0.42 120.40 124.13 1sjg s VAL 93 Ca -0.04 -0.55 0.04 0.00 -2.93 0.00 0.00 61.98 58.49 1sjg s VAL 93 Cb -0.13 -2.44 0.13 0.00 -1.53 0.00 0.00 36.38 32.41 1sjg s VAL 93 CO 0.03 0.44 0.23 -0.54 -3.33 0.00 0.00 175.10 171.94 1sjg s LYS 94 N 1.36 1.80 3.84 1.54 3.01 0.15 -4.99 119.74 126.44 1sjg s LYS 94 Ca 0.04 -2.42 0.00 0.00 -1.01 0.00 0.00 55.97 52.58 1sjg s LYS 94 Cb -0.14 -3.14 0.00 0.00 -1.01 0.00 0.00 37.83 33.54 1sjg s LYS 94 CO -0.04 -1.10 0.00 0.41 0.51 0.00 0.00 175.35 175.14 1sjg n GLY 95 N 3.33 0.37 0.09 -3.33 0.00 -1.26 -0.56 105.19 103.83 1sjg n GLY 95 Ca 0.05 0.62 0.12 0.00 0.00 0.00 0.00 46.02 46.81 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 7.56 0.77 -4.62 1.61 8.00 -1.26 -4.60 116.55 124.02 1sjg n ASP 96 Ca 0.00 0.22 -0.31 0.00 0.71 0.00 0.00 54.79 55.42 1sjg n ASP 96 Cb 0.00 0.49 -0.10 0.00 -0.02 0.00 0.00 41.12 41.50 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 -4.98 4.67 -0.07 -2.24 1.01 0.27 -0.19 116.67 115.13 1sjg s ASP 97 Ca 0.01 -0.22 0.02 0.00 0.71 0.00 0.00 52.55 53.07 1sjg s ASP 97 Cb 0.11 -1.04 0.01 0.00 1.01 0.00 0.00 42.92 43.01 1sjg s ASP 97 CO 0.78 0.22 -0.14 -0.63 0.21 0.00 0.00 175.17 175.62 1sjg s ILE 98 N -1.15 1.28 -0.05 0.77 1.01 -0.59 0.30 121.20 122.78 1sjg s ILE 98 Ca 0.21 -0.56 0.06 0.00 0.00 0.00 0.00 60.65 60.36 1sjg s ILE 98 Cb -0.11 -1.16 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 1sjg s ILE 98 CO 0.12 0.39 -0.24 -0.31 0.00 0.00 0.00 174.94 174.90 1sjg s TYR 99 N 0.65 2.45 -0.02 3.97 1.51 0.44 -2.45 117.35 123.90 1sjg s TYR 99 Ca -0.14 -0.59 0.03 0.00 -1.01 0.00 0.00 57.07 55.36 1sjg s TYR 99 Cb -0.16 -1.58 -0.00 0.00 -0.11 0.00 0.00 41.96 40.10 1sjg s TYR 99 CO 0.04 -0.13 -0.11 0.14 -1.11 0.00 0.00 175.55 174.38 1sjg s VAL 100 N -0.33 0.95 -0.35 0.71 -7.23 0.69 -0.03 120.40 114.81 1sjg s VAL 100 Ca 0.01 -0.48 -0.15 0.00 -1.81 0.00 0.00 61.98 59.55 1sjg s VAL 100 Cb -0.12 -0.82 -0.01 0.00 0.56 0.00 0.00 36.38 35.99 1sjg s VAL 100 CO 0.02 0.28 0.36 -0.55 -0.31 0.00 0.00 175.10 174.90 1sjg s SER 101 N -0.03 6.17 -0.26 4.85 0.15 0.10 0.40 113.70 125.09 1sjg s SER 101 Ca 0.00 -0.30 0.01 0.00 0.70 0.00 0.00 55.95 56.36 1sjg s SER 101 Cb -0.07 -2.19 -0.17 0.00 -1.71 0.00 0.00 66.02 61.88 1sjg s SER 101 CO 0.00 -0.36 -0.23 0.41 1.20 0.00 0.00 173.24 174.26 1sjg n THR 102 N 5.25 1.47 -1.51 6.45 -1.04 -1.26 -4.14 114.28 119.50 1sjg n THR 102 Ca -0.09 -0.55 -0.48 0.00 -2.04 0.00 0.00 64.05 60.88 1sjg n THR 102 Cb 0.49 -1.43 -0.06 0.00 -1.82 0.00 0.00 70.33 67.51 1sjg n THR 102 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1sjg n LYS 103 N -3.30 1.42 0.00 -2.82 3.00 -1.26 -0.93 118.16 114.27 1sjg n LYS 103 Ca -0.46 0.40 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1sjg n LYS 103 Cb 0.98 -2.70 0.00 0.00 0.00 0.00 0.00 35.03 33.31 1sjg n LYS 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1sjg n GLY 104 N 6.12 1.68 3.68 3.14 0.00 -1.26 -4.94 105.19 113.60 1sjg n GLY 104 Ca 0.36 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.79 4.81 -0.22 -0.61 1.01 -0.11 -5.08 121.20 119.22 1sjg s ILE 105 Ca 0.00 -0.04 -0.15 0.00 0.00 0.00 0.00 60.65 60.46 1sjg s ILE 105 Cb 0.00 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 1sjg s ILE 105 CO 0.00 0.51 0.38 -0.76 0.00 0.00 0.00 174.94 175.07 1sjg s LEU 106 N -0.06 4.13 0.57 2.97 1.02 -1.26 -4.96 118.68 121.09 1sjg s LEU 106 Ca 0.06 0.45 -0.20 0.00 0.02 0.00 0.00 54.13 54.46 1sjg s LEU 106 Cb -0.12 -2.48 -0.05 0.00 0.02 0.00 0.00 46.19 43.57 1sjg s LEU 106 CO 0.01 -0.10 1.20 -2.84 0.02 0.00 0.00 176.35 174.65 1sjg s PRO 107 N 1.48 3.14 -0.38 1.29 0.02 -1.26 -4.94 135.00 134.36 1sjg s PRO 107 Ca 0.18 1.82 -0.20 0.00 0.02 0.00 0.00 61.00 62.81 1sjg s PRO 107 Cb -0.15 -2.02 0.01 0.00 0.02 0.00 0.00 34.50 32.36 1sjg s PRO 107 CO 0.08 -1.07 0.62 -0.80 -0.33 0.00 0.00 177.00 175.50 1sjg s ASN 108 N -1.54 6.38 0.00 2.53 0.01 -1.26 -4.71 114.94 116.35 1sjg s ASN 108 Ca 0.75 -0.00 0.00 0.00 -0.71 0.00 0.00 52.86 52.89 1sjg s ASN 108 Cb -0.30 -2.32 0.00 0.00 0.41 0.00 0.00 41.25 39.04 1sjg s ASN 108 CO 0.33 -0.62 0.00 1.17 -1.51 0.00 0.00 177.10 176.47 1sjg n LYS 109 N 6.06 0.00 0.00 -0.60 4.81 -1.26 -4.73 118.16 122.44 1sjg n LYS 109 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1sjg n LYS 109 Cb 0.48 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.53 1sjg n LYS 109 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1sjg n ALA 110 N 4.35 0.00 -1.51 3.14 0.00 -1.26 -5.01 120.51 120.21 1sjg n ALA 110 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1sjg n ALA 110 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.76 -0.92 0.00 -0.00 -1.26 -4.94 115.22 105.34 1sjg n HIS 111 Ca 0.00 1.66 0.00 0.00 -0.00 0.00 0.00 57.72 59.38 1sjg n HIS 111 Cb 0.00 -2.98 0.00 0.00 -0.00 0.00 0.00 29.99 27.01 1sjg n HIS 111 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77