#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fgm n PHE 1 N 0.00 1.65 -2.80 -1.40 7.35 -1.26 -5.02 117.46 115.99 3fgm n PHE 1 Ca 0.00 -1.93 -0.42 0.00 -0.76 0.00 0.00 57.45 54.33 3fgm n PHE 1 Cb 0.00 -0.28 -0.03 0.00 0.35 0.00 0.00 39.48 39.52 3fgm n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 3fgm s ASN 2 N -3.46 6.89 0.05 -2.13 0.01 -1.26 -5.03 114.94 110.00 3fgm s ASN 2 Ca 0.40 1.06 0.02 0.00 -0.71 0.00 0.00 52.86 53.64 3fgm s ASN 2 Cb 0.38 -2.48 -0.04 0.00 0.41 0.00 0.00 41.25 39.52 3fgm s ASN 2 CO -0.02 -0.64 0.04 -0.76 -1.51 0.00 0.00 177.10 174.22 3fgm s LEU 3 N 3.09 3.68 0.69 0.60 1.43 -1.26 -1.00 118.68 125.91 3fgm s LEU 3 Ca 0.39 -0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.36 3fgm s LEU 3 Cb -0.14 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.80 3fgm s LEU 3 CO 0.09 0.21 1.06 -2.16 0.23 0.00 0.00 176.35 175.79 3fgm s PRO 4 N -2.07 2.96 0.00 1.29 0.04 -1.26 -4.63 135.00 131.32 3fgm s PRO 4 Ca 0.25 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.12 3fgm s PRO 4 Cb -0.12 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3fgm s PRO 4 CO 0.17 -1.05 0.00 -0.35 0.04 0.00 0.00 177.00 175.81 3fgm n PRO 5 N -3.08 3.70 0.00 0.56 -0.04 -1.26 -4.94 135.00 129.93 3fgm n PRO 5 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3fgm n PRO 5 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 3fgm n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fgm n GLY 6 N 4.71 0.84 0.00 0.55 0.00 -1.26 -5.01 105.19 105.02 3fgm n GLY 6 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3fgm n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fgm n ASN 7 N -3.15 0.00 -0.44 1.61 0.23 -1.26 -5.04 115.26 107.21 3fgm n ASN 7 Ca 0.00 -0.43 0.05 0.00 -0.53 0.00 0.00 54.58 53.67 3fgm n ASN 7 Cb 0.00 0.00 0.12 0.00 -2.08 0.00 0.00 39.78 37.82 3fgm n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3fgm n TYR 8 N 0.00 0.35 -0.33 -2.53 4.01 -1.26 -4.73 117.16 112.67 3fgm n TYR 8 Ca 0.00 -0.58 0.06 0.00 -0.16 0.00 0.00 57.90 57.22 3fgm n TYR 8 Cb 0.00 -0.08 0.25 0.00 -0.31 0.00 0.00 39.34 39.20 3fgm n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3fgm h LYS 9 N 1.25 0.96 -6.14 -0.72 1.57 -1.96 -3.44 116.57 108.09 3fgm h LYS 9 Ca 0.00 -0.06 -0.61 0.00 -1.87 0.00 0.00 60.65 58.11 3fgm h LYS 9 Cb 0.76 -0.22 -0.13 0.00 0.08 0.00 0.00 32.23 32.72 3fgm h LYS 9 CO 0.03 0.64 -0.73 0.15 -0.57 0.00 0.00 179.45 178.97 3fgm s LYS 10 N -5.91 1.77 0.71 3.15 1.02 -1.26 -5.13 119.74 114.09 3fgm s LYS 10 Ca -0.12 -1.78 -0.11 0.00 0.02 0.00 0.00 55.97 53.98 3fgm s LYS 10 Cb 0.21 -1.79 0.02 0.00 -0.52 0.00 0.00 37.83 35.75 3fgm s LYS 10 CO 0.80 0.28 1.07 -1.25 -0.92 0.00 0.00 175.35 175.33 3fgm s PRO 11 N -3.55 2.81 0.17 -1.68 0.04 -1.26 -4.71 135.00 126.81 3fgm s PRO 11 Ca 0.31 0.99 -0.12 0.00 0.04 0.00 0.00 61.00 62.22 3fgm s PRO 11 Cb -0.03 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.54 3fgm s PRO 11 CO 0.16 -1.20 0.36 0.15 0.04 0.00 0.00 177.00 176.51 3fgm s LYS 12 N -5.02 1.21 0.06 4.56 1.02 0.15 -3.76 119.74 117.97 3fgm s LYS 12 Ca 0.59 -1.05 -0.01 0.00 0.02 0.00 0.00 55.97 55.51 3fgm s LYS 12 Cb -0.15 0.43 -0.04 0.00 -0.52 0.00 0.00 37.83 37.55 3fgm s LYS 12 CO 0.55 -0.47 0.24 -0.51 -0.92 0.00 0.00 175.35 174.24 3fgm s LEU 13 N -2.93 4.35 -0.31 3.17 1.43 0.16 -0.79 118.68 123.76 3fgm s LEU 13 Ca 0.14 0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 53.55 3fgm s LEU 13 Cb 0.02 -2.96 0.05 0.00 0.03 0.00 0.00 46.19 43.32 3fgm s LEU 13 CO -0.02 0.17 0.03 -0.76 0.23 0.00 0.00 176.35 176.00 3fgm s LEU 14 N -2.44 4.01 -0.23 1.79 1.43 -1.26 -0.62 118.68 121.37 3fgm s LEU 14 Ca 0.35 -1.23 -0.10 0.00 -1.03 0.00 0.00 54.13 52.12 3fgm s LEU 14 Cb -0.13 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 3fgm s LEU 14 CO 0.26 -0.28 0.14 -0.47 0.23 0.00 0.00 176.35 176.23 3fgm s TYR 15 N 1.30 3.32 -0.34 0.29 5.04 -0.48 -0.76 117.35 125.71 3fgm s TYR 15 Ca -0.04 0.20 -0.11 0.00 -2.44 0.00 0.00 57.07 54.68 3fgm s TYR 15 Cb -0.20 -2.22 0.01 0.00 0.35 0.00 0.00 41.96 39.90 3fgm s TYR 15 CO 0.00 0.10 0.19 0.00 -1.34 0.00 0.00 175.55 174.50 3fgm h SER 17 N 8.41 0.00 -0.40 0.00 0.87 -1.85 0.18 113.55 120.74 3fgm h SER 17 Ca -0.29 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.34 3fgm h SER 17 Cb 1.13 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.00 3fgm h SER 17 CO 0.64 0.01 -0.40 -1.13 -0.53 0.00 0.00 176.83 175.42 3fgm h ASN 18 N 0.00 -1.32 -0.00 6.23 -1.24 -1.84 -3.17 115.58 114.24 3fgm h ASN 18 Ca -0.00 0.21 0.00 0.00 0.71 0.00 0.00 56.30 57.22 3fgm h ASN 18 Cb 0.36 0.59 0.00 0.00 0.73 0.00 0.00 38.32 40.00 3fgm h ASN 18 CO 0.00 -0.36 -0.02 0.61 -1.29 0.00 0.00 177.43 176.38 3fgm n GLY 19 N -1.42 -0.54 1.36 1.57 0.00 -1.23 -4.72 105.19 100.22 3fgm n GLY 19 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 3fgm n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fgm n GLY 20 N 0.42 0.59 3.43 -0.02 0.00 -0.00 -4.96 105.19 104.66 3fgm n GLY 20 Ca 0.01 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 3fgm n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fgm s HIS 21 N -3.02 2.43 -0.03 1.61 3.76 -0.88 -4.59 115.29 114.57 3fgm s HIS 21 Ca 0.02 -0.32 -0.14 0.00 -0.15 0.00 0.00 55.06 54.46 3fgm s HIS 21 Cb -0.01 -1.32 -0.05 0.00 1.11 0.00 0.00 32.58 32.31 3fgm s HIS 21 CO 0.05 0.34 0.38 -0.06 -0.85 0.00 0.00 174.74 174.59 3fgm s PHE 22 N -1.07 3.69 0.40 1.40 0.08 0.10 -0.16 117.98 122.43 3fgm s PHE 22 Ca 0.16 0.92 -0.26 0.00 0.12 0.00 0.00 56.93 57.87 3fgm s PHE 22 Cb -0.10 -2.26 -0.09 0.00 -0.57 0.00 0.00 43.02 40.00 3fgm s PHE 22 CO 0.07 0.62 1.28 -1.17 -0.10 0.00 0.00 175.22 175.92 3fgm s LEU 23 N -0.93 4.22 -0.03 -0.37 2.96 0.06 -1.65 118.68 122.95 3fgm s LEU 23 Ca 0.22 2.61 -0.03 0.00 -0.22 0.00 0.00 54.13 56.71 3fgm s LEU 23 Cb -0.16 -3.90 0.01 0.00 0.50 0.00 0.00 46.19 42.63 3fgm s LEU 23 CO 0.12 -0.80 0.07 -0.60 -1.32 0.00 0.00 176.35 173.82 3fgm s ARG 24 N -2.22 0.12 -0.27 1.98 3.52 0.42 -4.44 118.95 118.06 3fgm s ARG 24 Ca 0.56 0.05 0.01 0.00 -0.13 0.00 0.00 55.73 56.22 3fgm s ARG 24 Cb -0.37 0.05 0.08 0.00 -1.56 0.00 0.00 34.95 33.15 3fgm s ARG 24 CO 0.47 -0.02 -0.00 0.42 -0.81 0.00 0.00 175.30 175.37 3fgm s ILE 25 N -0.09 1.56 0.71 4.11 1.01 -1.04 -1.56 121.20 125.89 3fgm s ILE 25 Ca -0.01 -1.50 -0.14 0.00 0.00 0.00 0.00 60.65 59.00 3fgm s ILE 25 Cb -0.01 -1.96 0.03 0.00 0.01 0.00 0.00 42.46 40.52 3fgm s ILE 25 CO 0.00 -0.32 1.12 -0.76 0.00 0.00 0.00 174.94 174.98 3fgm s LEU 26 N 1.33 3.26 0.45 2.97 1.43 0.09 -4.86 118.68 123.36 3fgm s LEU 26 Ca 0.01 2.01 0.24 0.00 -1.03 0.00 0.00 54.13 55.35 3fgm s LEU 26 Cb -0.19 -4.55 1.24 0.00 0.03 0.00 0.00 46.19 42.72 3fgm s LEU 26 CO -0.10 -1.89 1.81 -0.65 0.23 0.00 0.00 176.35 175.75 3fgm h PRO 27 N -0.40 0.26 -0.02 1.29 0.11 -1.98 0.53 132.00 131.79 3fgm h PRO 27 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3fgm h PRO 27 Cb 1.25 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3fgm h PRO 27 CO 0.52 0.17 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 3fgm n ASP 28 N -4.47 0.17 0.00 -2.05 5.75 -1.26 -4.87 116.55 109.82 3fgm n ASP 28 Ca 0.23 -1.48 0.00 0.00 -0.01 0.00 0.00 54.79 53.53 3fgm n ASP 28 Cb 0.93 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 41.01 3fgm n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fgm n GLY 29 N 0.81 0.66 3.74 6.12 0.00 0.18 -4.96 105.19 111.74 3fgm n GLY 29 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3fgm n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fgm s THR 30 N -2.18 2.61 -0.10 2.61 2.01 -1.25 -0.75 115.64 118.59 3fgm s THR 30 Ca 0.00 0.50 0.01 0.00 0.31 0.00 0.00 61.69 62.52 3fgm s THR 30 Cb 0.00 -3.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.17 3fgm s THR 30 CO 0.00 0.08 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.17 3fgm s VAL 31 N 0.10 2.99 0.00 3.82 1.01 -1.26 -0.73 120.40 126.33 3fgm s VAL 31 Ca 0.61 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.88 3fgm s VAL 31 Cb -0.42 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 33.73 3fgm s VAL 31 CO 0.43 0.55 0.00 -0.90 0.00 0.00 0.00 175.10 175.17 3fgm n ASP 32 N 3.14 0.00 -4.29 3.32 5.75 -0.60 -4.68 116.55 119.19 3fgm n ASP 32 Ca -0.18 -0.59 -0.23 0.00 -0.01 0.00 0.00 54.79 53.78 3fgm n ASP 32 Cb 0.53 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.49 3fgm n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3fgm s GLY 33 N -0.92 1.25 0.02 6.12 0.00 -0.53 -0.43 107.32 112.82 3fgm s GLY 33 Ca 0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 44.72 43.41 3fgm s GLY 33 CO 0.00 -1.29 0.06 -1.08 0.00 0.00 0.00 173.10 170.79 3fgm s THR 34 N -1.29 0.12 -2.76 0.90 -1.32 -0.66 -4.86 115.64 105.76 3fgm s THR 34 Ca 0.08 -0.99 0.24 0.00 -1.21 0.00 0.00 61.69 59.81 3fgm s THR 34 Cb -0.09 -0.63 0.31 0.00 -1.51 0.00 0.00 72.50 70.58 3fgm s THR 34 CO 0.04 -0.54 1.35 0.54 -2.21 0.00 0.00 174.62 173.81 3fgm n ARG 35 N 1.15 2.32 -2.66 7.08 1.74 -1.26 0.02 116.66 125.06 3fgm n ARG 35 Ca -0.21 -1.95 -0.42 0.00 -0.77 0.00 0.00 57.85 54.50 3fgm n ARG 35 Cb 0.57 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.50 3fgm n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3fgm s ASP 36 N -1.81 6.18 0.42 0.55 2.15 -1.26 -4.87 116.67 118.03 3fgm s ASP 36 Ca 0.33 -0.69 0.28 0.00 0.43 0.00 0.00 52.55 52.90 3fgm s ASP 36 Cb 0.21 -2.51 1.51 0.00 -0.30 0.00 0.00 42.92 41.82 3fgm s ASP 36 CO 0.31 -1.69 1.87 0.03 -0.17 0.00 0.00 175.17 175.52 3fgm h ARG 37 N 9.85 0.00 -0.03 4.34 3.08 -2.01 -1.20 114.38 128.40 3fgm h ARG 37 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 3fgm h ARG 37 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3fgm h ARG 37 CO 1.25 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 179.02 3fgm n SER 38 N -2.51 1.29 -4.77 7.04 3.41 -1.26 -4.92 113.62 111.90 3fgm n SER 38 Ca -0.01 -1.46 -0.40 0.00 -0.26 0.00 0.00 58.87 56.74 3fgm n SER 38 Cb 0.07 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3fgm n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fgm s ASP 39 N -1.93 6.19 0.00 4.04 -1.08 -0.46 -4.92 116.67 118.51 3fgm s ASP 39 Ca 0.38 2.78 0.20 0.00 -0.52 0.00 0.00 52.55 55.39 3fgm s ASP 39 Cb 0.20 -2.65 0.53 0.00 -1.46 0.00 0.00 42.92 39.55 3fgm s ASP 39 CO 0.33 -0.95 1.44 0.00 0.52 0.00 0.00 175.17 176.51 3fgm n GLN 40 N 0.08 2.21 -0.17 4.34 1.13 -1.26 -4.10 117.38 119.61 3fgm n GLN 40 Ca 0.04 -1.85 0.09 0.00 -1.94 0.00 0.00 57.00 53.34 3fgm n GLN 40 Cb 0.42 -1.44 0.15 0.00 0.11 0.00 0.00 30.24 29.48 3fgm n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3fgm n HIS 41 N 1.03 0.00 0.26 1.08 8.25 -1.26 -4.61 115.22 119.97 3fgm n HIS 41 Ca 0.18 -1.09 0.06 0.00 -0.26 0.00 0.00 57.72 56.62 3fgm n HIS 41 Cb 0.47 -0.17 0.10 0.00 1.12 0.00 0.00 29.99 31.51 3fgm n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3fgm n ILE 42 N -1.37 0.37 -3.44 1.59 -5.35 -1.26 -2.51 119.36 107.39 3fgm n ILE 42 Ca 0.16 -0.69 -0.37 0.00 -0.27 0.00 0.00 62.75 61.59 3fgm n ILE 42 Cb 0.65 0.98 -0.06 0.00 -1.74 0.00 0.00 39.64 39.47 3fgm n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3fgm s GLN 43 N -1.04 4.26 0.09 6.28 1.11 -1.26 -4.36 119.66 124.74 3fgm s GLN 43 Ca 0.19 0.27 0.05 0.00 0.01 0.00 0.00 55.36 55.89 3fgm s GLN 43 Cb 0.12 -3.41 -0.03 0.00 -1.01 0.00 0.00 33.01 28.67 3fgm s GLN 43 CO 0.17 0.24 -0.14 -0.06 0.01 0.00 0.00 175.29 175.51 3fgm s PHE 44 N 0.41 1.27 -0.18 0.91 0.08 0.03 -1.85 117.98 118.65 3fgm s PHE 44 Ca 0.21 -0.52 -0.00 0.00 0.12 0.00 0.00 56.93 56.74 3fgm s PHE 44 Cb -0.14 -0.69 0.01 0.00 -0.57 0.00 0.00 43.02 41.63 3fgm s PHE 44 CO 0.07 0.08 -0.16 -1.14 -0.10 0.00 0.00 175.22 173.98 3fgm s GLN 45 N -2.24 3.11 0.01 0.44 2.00 0.88 0.35 119.66 124.21 3fgm s GLN 45 Ca 0.03 -0.77 -0.02 0.00 -2.00 0.00 0.00 55.36 52.60 3fgm s GLN 45 Cb -0.07 -2.66 -0.04 0.00 0.80 0.00 0.00 33.01 31.04 3fgm s GLN 45 CO 0.02 -0.15 0.19 -0.51 -0.50 0.00 0.00 175.29 174.33 3fgm s LEU 46 N 1.21 4.35 0.01 3.68 1.02 -1.26 -1.63 118.68 126.07 3fgm s LEU 46 Ca 0.02 0.32 -0.04 0.00 0.02 0.00 0.00 54.13 54.46 3fgm s LEU 46 Cb -0.14 -2.70 -0.01 0.00 0.02 0.00 0.00 46.19 43.37 3fgm s LEU 46 CO -0.08 0.24 0.06 -0.94 0.02 0.00 0.00 176.35 175.65 3fgm s SER 47 N -2.09 0.12 -0.19 2.29 1.04 -1.01 -4.75 113.70 109.11 3fgm s SER 47 Ca 0.29 -0.33 -0.07 0.00 0.48 0.00 0.00 55.95 56.32 3fgm s SER 47 Cb -0.13 0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.11 3fgm s SER 47 CO 0.21 -0.33 0.05 0.00 0.98 0.00 0.00 173.24 174.15 3fgm s ALA 48 N -1.39 3.31 -0.13 5.32 0.00 -1.26 -0.91 121.76 126.69 3fgm s ALA 48 Ca -0.15 -0.84 -0.22 0.00 0.00 0.00 0.00 51.96 50.75 3fgm s ALA 48 Cb -0.09 -1.91 -0.20 0.00 0.00 0.00 0.00 23.12 20.93 3fgm s ALA 48 CO 0.00 0.04 0.57 1.49 0.00 0.00 0.00 175.76 177.87 3fgm h GLU 49 N 7.02 0.00 -4.71 0.00 4.57 -1.75 -3.48 114.58 116.24 3fgm h GLU 49 Ca -0.36 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.55 3fgm h GLU 49 Cb 1.17 0.00 -0.15 0.00 -0.16 0.00 0.00 28.75 29.62 3fgm h GLU 49 CO 0.66 0.76 -0.65 -1.12 -1.18 0.00 0.00 179.01 177.49 3fgm s SER 50 N -6.07 0.92 -0.06 1.04 0.01 -1.25 -5.02 113.70 103.26 3fgm s SER 50 Ca -0.15 -1.23 -0.35 0.00 1.31 0.00 0.00 55.95 55.54 3fgm s SER 50 Cb -0.02 0.18 -0.13 0.00 0.21 0.00 0.00 66.02 66.26 3fgm s SER 50 CO 0.52 -0.65 1.79 0.52 0.41 0.00 0.00 173.24 175.83 3fgm n VAL 51 N -0.24 0.42 -0.13 3.43 0.31 -1.26 -0.48 118.33 120.38 3fgm n VAL 51 Ca -0.05 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 3fgm n VAL 51 Cb 0.64 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 3fgm n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fgm n GLY 52 N 4.13 1.76 3.66 2.92 0.00 -1.26 -5.03 105.19 111.36 3fgm n GLY 52 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 3fgm n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fgm s GLU 53 N -0.34 3.42 0.06 1.61 2.02 0.37 -0.44 118.70 125.40 3fgm s GLU 53 Ca 0.00 -0.38 -0.00 0.00 0.02 0.00 0.00 54.97 54.61 3fgm s GLU 53 Cb 0.00 -2.96 -0.04 0.00 0.10 0.00 0.00 34.13 31.23 3fgm s GLU 53 CO 0.00 0.51 -0.04 0.14 0.02 0.00 0.00 175.26 175.89 3fgm s VAL 54 N -0.34 0.32 0.01 2.63 -7.23 0.51 -1.96 120.40 114.34 3fgm s VAL 54 Ca 0.08 -1.67 0.03 0.00 -1.81 0.00 0.00 61.98 58.60 3fgm s VAL 54 Cb -0.12 -1.33 -0.03 0.00 0.56 0.00 0.00 36.38 35.45 3fgm s VAL 54 CO 0.02 -0.87 -0.05 -0.31 -0.31 0.00 0.00 175.10 173.58 3fgm s TYR 55 N -3.39 2.94 -0.31 2.82 2.02 -0.09 -1.39 117.35 119.95 3fgm s TYR 55 Ca 0.04 -0.01 0.03 0.00 -0.37 0.00 0.00 57.07 56.76 3fgm s TYR 55 Cb 0.04 -1.61 0.09 0.00 -0.40 0.00 0.00 41.96 40.08 3fgm s TYR 55 CO -0.07 0.41 0.01 0.42 -1.57 0.00 0.00 175.55 174.75 3fgm s ILE 56 N -1.05 2.05 -0.15 2.71 1.01 -1.26 -2.41 121.20 122.10 3fgm s ILE 56 Ca 0.18 -2.01 -0.02 0.00 0.00 0.00 0.00 60.65 58.80 3fgm s ILE 56 Cb -0.11 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 3fgm s ILE 56 CO 0.09 -0.44 -0.07 -0.75 0.00 0.00 0.00 174.94 173.77 3fgm s LYS 57 N 1.06 3.56 0.04 2.79 2.20 -0.65 -0.44 119.74 128.30 3fgm s LYS 57 Ca 0.05 -0.58 -0.30 0.00 -0.36 0.00 0.00 55.97 54.78 3fgm s LYS 57 Cb -0.19 -2.81 -0.08 0.00 -1.51 0.00 0.00 37.83 33.24 3fgm s LYS 57 CO -0.09 0.23 1.67 0.45 -0.36 0.00 0.00 175.35 177.25 3fgm s SER 58 N 0.37 6.61 0.42 1.43 0.15 0.26 -0.08 113.70 122.86 3fgm s SER 58 Ca -0.06 2.43 0.23 0.00 0.70 0.00 0.00 55.95 59.25 3fgm s SER 58 Cb -0.15 -2.55 0.63 0.00 -1.71 0.00 0.00 66.02 62.24 3fgm s SER 58 CO 0.04 -0.91 1.70 0.71 1.20 0.00 0.00 173.24 175.98 3fgm h THR 59 N 5.06 0.40 0.17 6.45 1.35 -1.71 0.21 112.91 124.85 3fgm h THR 59 Ca -0.42 -1.27 -0.33 0.00 -0.55 0.00 0.00 66.41 63.84 3fgm h THR 59 Cb 1.20 1.95 0.01 0.00 -1.73 0.00 0.00 68.15 69.57 3fgm h THR 59 CO 0.94 0.20 -1.64 -0.08 -0.25 0.00 0.00 175.52 174.68 3fgm h GLU 60 N 0.00 0.36 0.00 4.72 4.57 -1.81 -3.40 114.58 119.02 3fgm h GLU 60 Ca -0.00 -0.61 0.00 0.00 -1.18 0.00 0.00 59.36 57.57 3fgm h GLU 60 Cb 0.93 0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 3fgm h GLU 60 CO 0.03 1.26 -0.89 0.25 -1.18 0.00 0.00 179.01 178.47 3fgm n THR 61 N -3.55 0.00 -0.98 0.32 -2.24 -1.23 -5.00 114.28 101.60 3fgm n THR 61 Ca -0.21 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3fgm n THR 61 Cb 1.07 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.97 3fgm n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fgm n GLY 62 N 1.55 0.87 3.81 3.38 0.00 0.74 -5.01 105.19 110.53 3fgm n GLY 62 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3fgm n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fgm s GLN 63 N -0.07 4.05 -0.15 1.61 -0.21 -1.25 -4.71 119.66 118.93 3fgm s GLN 63 Ca 0.00 1.24 -0.08 0.00 0.02 0.00 0.00 55.36 56.54 3fgm s GLN 63 Cb 0.00 -2.17 -0.04 0.00 1.00 0.00 0.00 33.01 31.80 3fgm s GLN 63 CO 0.00 -0.20 0.14 0.71 -2.12 0.00 0.00 175.29 173.82 3fgm s TYR 64 N -2.06 3.52 0.32 0.91 1.51 0.33 -0.57 117.35 121.31 3fgm s TYR 64 Ca 0.64 0.46 -0.29 0.00 -1.01 0.00 0.00 57.07 56.87 3fgm s TYR 64 Cb -0.13 -2.04 -0.10 0.00 -0.11 0.00 0.00 41.96 39.58 3fgm s TYR 64 CO 0.17 0.55 1.30 -1.17 -1.11 0.00 0.00 175.55 175.30 3fgm s LEU 65 N -0.46 4.43 0.05 -1.29 2.96 0.42 -0.38 118.68 124.41 3fgm s LEU 65 Ca 0.12 2.67 -0.13 0.00 -0.22 0.00 0.00 54.13 56.58 3fgm s LEU 65 Cb -0.12 -3.65 0.02 0.00 0.50 0.00 0.00 46.19 42.94 3fgm s LEU 65 CO 0.02 -0.53 0.27 0.00 -1.32 0.00 0.00 176.35 174.80 3fgm s ALA 66 N -1.08 -0.59 -0.14 5.97 0.00 -0.59 -4.38 121.76 120.95 3fgm s ALA 66 Ca 0.49 -0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.37 3fgm s ALA 66 Cb -0.39 0.33 0.01 0.00 0.00 0.00 0.00 23.12 23.07 3fgm s ALA 66 CO 0.52 -0.41 -0.19 1.41 0.00 0.00 0.00 175.76 177.08 3fgm s MET 67 N -2.67 2.79 1.00 0.00 1.75 -0.86 -1.00 119.30 120.31 3fgm s MET 67 Ca -0.04 -0.76 -0.17 0.00 -1.25 0.00 0.00 55.69 53.47 3fgm s MET 67 Cb -0.00 -2.32 0.23 0.00 2.84 0.00 0.00 34.83 35.57 3fgm s MET 67 CO -0.04 -0.09 1.35 0.16 -0.65 0.00 0.00 175.02 175.75 3fgm s ASP 68 N 1.01 2.79 0.65 1.11 1.47 0.42 -4.78 116.67 119.34 3fgm s ASP 68 Ca -0.03 0.18 0.36 0.00 1.18 0.00 0.00 52.55 54.24 3fgm s ASP 68 Cb -0.15 -0.14 1.98 0.00 -0.34 0.00 0.00 42.92 44.27 3fgm s ASP 68 CO -0.05 -2.93 2.16 0.00 0.68 0.00 0.00 175.17 175.03 3fgm h THR 69 N -1.78 0.12 -0.55 2.11 1.03 -2.01 -0.49 112.91 111.35 3fgm h THR 69 Ca -0.44 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.96 3fgm h THR 69 Cb 1.22 0.85 0.00 0.00 -1.07 0.00 0.00 68.15 69.15 3fgm h THR 69 CO 0.33 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.31 3fgm n ASP 70 N -3.21 3.54 0.00 0.00 8.00 -1.26 -4.96 116.55 118.66 3fgm n ASP 70 Ca -0.02 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.50 3fgm n ASP 70 Cb 0.23 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 3fgm n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fgm n GLY 71 N 1.29 0.67 3.83 0.44 0.00 -0.19 -4.56 105.19 106.67 3fgm n GLY 71 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 3fgm n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fgm s LEU 72 N 0.00 4.36 0.16 0.99 1.43 -1.26 -0.63 118.68 123.73 3fgm s LEU 72 Ca 0.00 1.18 -0.14 0.00 -1.03 0.00 0.00 54.13 54.15 3fgm s LEU 72 Cb 0.00 -3.30 -0.07 0.00 0.03 0.00 0.00 46.19 42.85 3fgm s LEU 72 CO 0.00 0.11 0.55 -0.76 0.23 0.00 0.00 176.35 176.48 3fgm s LEU 73 N -1.85 4.31 0.16 1.79 1.43 -1.26 -0.43 118.68 122.82 3fgm s LEU 73 Ca 0.38 1.05 -0.16 0.00 -1.03 0.00 0.00 54.13 54.37 3fgm s LEU 73 Cb -0.16 -3.34 0.03 0.00 0.03 0.00 0.00 46.19 42.75 3fgm s LEU 73 CO 0.20 0.07 0.45 -0.72 0.23 0.00 0.00 176.35 176.58 3fgm s TYR 74 N -1.52 -0.11 -0.28 0.29 1.13 -0.17 -4.50 117.35 112.18 3fgm s TYR 74 Ca 0.39 -0.22 -0.17 0.00 -1.41 0.00 0.00 57.07 55.66 3fgm s TYR 74 Cb -0.14 0.29 -0.02 0.00 -1.10 0.00 0.00 41.96 40.98 3fgm s TYR 74 CO 0.19 -0.80 0.48 0.20 -2.51 0.00 0.00 175.55 173.12 3fgm s GLY 75 N -2.85 1.85 -0.01 5.49 0.00 0.08 -1.55 107.32 110.33 3fgm s GLY 75 Ca 0.07 -0.73 -0.12 0.00 0.00 0.00 0.00 44.72 43.94 3fgm s GLY 75 CO -0.07 1.19 0.35 -0.45 0.00 0.00 0.00 173.10 174.12 3fgm s SER 76 N 1.61 6.68 0.31 1.64 0.15 0.49 -4.76 113.70 119.82 3fgm s SER 76 Ca 0.19 0.81 0.16 0.00 0.70 0.00 0.00 55.95 57.81 3fgm s SER 76 Cb -0.16 -2.19 0.36 0.00 -1.71 0.00 0.00 66.02 62.32 3fgm s SER 76 CO 0.10 0.31 1.58 1.56 1.20 0.00 0.00 173.24 177.99 3fgm h GLN 77 N 4.52 0.00 -5.25 5.44 1.08 -1.92 0.95 115.11 119.94 3fgm h GLN 77 Ca -0.52 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.31 3fgm h GLN 77 Cb 1.22 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.50 3fgm h GLN 77 CO 0.62 0.50 -0.72 0.95 -0.95 0.00 0.00 178.83 179.23 3fgm s THR 78 N -3.29 1.35 -0.44 -0.54 -4.23 -1.26 -4.78 115.64 102.45 3fgm s THR 78 Ca 0.01 -2.07 -0.29 0.00 -1.18 0.00 0.00 61.69 58.17 3fgm s THR 78 Cb 0.10 -1.87 0.01 0.00 1.34 0.00 0.00 72.50 72.08 3fgm s THR 78 CO 0.72 -0.67 1.35 -2.16 -0.54 0.00 0.00 174.62 173.33 3fgm s PRO 79 N -3.61 3.58 0.15 3.99 0.04 -1.26 -4.84 135.00 133.05 3fgm s PRO 79 Ca 0.18 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.04 3fgm s PRO 79 Cb 0.01 -4.01 -0.00 0.00 0.04 0.00 0.00 34.50 30.54 3fgm s PRO 79 CO 0.03 -1.56 0.01 0.27 0.04 0.00 0.00 177.00 175.79 3fgm n ASN 80 N 8.68 2.06 0.12 6.66 0.23 -1.26 -4.99 115.26 126.77 3fgm n ASN 80 Ca 0.15 -1.68 0.17 0.00 -0.53 0.00 0.00 54.58 52.70 3fgm n ASN 80 Cb 0.48 0.17 0.74 0.00 -2.08 0.00 0.00 39.78 39.09 3fgm n ASN 80 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3fgm h GLU 81 N 0.00 0.00 -0.01 -3.83 4.81 -1.99 -1.15 114.58 112.41 3fgm h GLU 81 Ca -0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3fgm h GLU 81 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3fgm h GLU 81 CO 0.20 0.00 -0.11 0.39 -0.73 0.00 0.00 179.01 178.76 3fgm n GLU 82 N -4.11 0.87 0.00 1.92 1.02 -1.26 -3.88 120.64 115.20 3fgm n GLU 82 Ca 0.05 -0.35 0.12 0.00 -0.02 0.00 0.00 57.16 56.95 3fgm n GLU 82 Cb 0.43 -1.49 0.12 0.00 -0.02 0.00 0.00 31.44 30.47 3fgm n GLU 82 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3fgm n THR 83 N -0.76 0.00 -3.34 2.62 -2.24 -0.43 -2.02 114.28 108.11 3fgm n THR 83 Ca 0.16 -0.35 -0.38 0.00 -2.27 0.00 0.00 64.05 61.21 3fgm n THR 83 Cb 0.28 1.23 -0.06 0.00 -2.10 0.00 0.00 70.33 69.68 3fgm n THR 83 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3fgm s LEU 84 N -2.24 4.29 0.06 3.22 1.43 -1.25 -4.39 118.68 119.80 3fgm s LEU 84 Ca 0.25 0.81 0.07 0.00 -1.03 0.00 0.00 54.13 54.23 3fgm s LEU 84 Cb 0.19 -2.67 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 3fgm s LEU 84 CO 0.43 0.04 -0.18 -0.36 0.23 0.00 0.00 176.35 176.51 3fgm s PHE 85 N 0.46 1.56 -0.34 0.29 0.08 -0.48 -1.59 117.98 117.95 3fgm s PHE 85 Ca 0.25 -0.39 -0.21 0.00 0.12 0.00 0.00 56.93 56.71 3fgm s PHE 85 Cb -0.15 -0.90 0.00 0.00 -0.57 0.00 0.00 43.02 41.40 3fgm s PHE 85 CO 0.10 0.10 0.65 -0.51 -0.10 0.00 0.00 175.22 175.46 3fgm s LEU 86 N -1.42 4.22 -0.24 -0.37 1.43 0.18 -0.37 118.68 122.11 3fgm s LEU 86 Ca 0.04 0.23 -0.17 0.00 -1.03 0.00 0.00 54.13 53.20 3fgm s LEU 86 Cb -0.09 -2.81 -0.03 0.00 0.03 0.00 0.00 46.19 43.28 3fgm s LEU 86 CO 0.02 -0.58 0.48 -0.70 0.23 0.00 0.00 176.35 175.81 3fgm s GLU 87 N 2.72 4.11 0.12 1.70 2.12 0.42 -1.26 118.70 128.64 3fgm s GLU 87 Ca 0.25 0.30 0.03 0.00 0.36 0.00 0.00 54.97 55.91 3fgm s GLU 87 Cb -0.14 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.59 3fgm s GLU 87 CO 0.14 -0.25 -0.08 1.03 -0.54 0.00 0.00 175.26 175.57 3fgm s ARG 88 N 1.96 0.94 0.35 4.30 1.81 -0.42 -4.74 118.95 123.15 3fgm s ARG 88 Ca 0.21 -1.39 -0.16 0.00 -1.72 0.00 0.00 55.73 52.66 3fgm s ARG 88 Cb -0.15 -0.38 -0.09 0.00 -0.45 0.00 0.00 34.95 33.87 3fgm s ARG 88 CO 0.09 0.02 0.78 -1.17 -0.68 0.00 0.00 175.30 174.34 3fgm s LEU 89 N -3.10 4.04 -0.03 2.53 2.96 -0.17 -0.41 118.68 124.50 3fgm s LEU 89 Ca 0.14 1.37 -0.03 0.00 -0.22 0.00 0.00 54.13 55.39 3fgm s LEU 89 Cb 0.04 -4.18 0.01 0.00 0.50 0.00 0.00 46.19 42.56 3fgm s LEU 89 CO -0.02 -0.24 0.09 -0.70 -1.32 0.00 0.00 176.35 174.16 3fgm s GLU 90 N -3.02 0.13 -1.39 1.98 2.56 0.45 -4.80 118.70 114.62 3fgm s GLU 90 Ca 0.56 0.07 -0.11 0.00 0.00 0.00 0.00 54.97 55.49 3fgm s GLU 90 Cb -0.10 0.06 0.08 0.00 2.00 0.00 0.00 34.13 36.17 3fgm s GLU 90 CO 0.16 -0.02 0.60 0.39 -0.56 0.00 0.00 175.26 175.83 3fgm n GLU 91 N 2.90 -3.67 -1.76 4.30 1.02 -1.26 -1.11 120.64 121.05 3fgm n GLU 91 Ca -0.13 0.49 -0.14 0.00 -0.02 0.00 0.00 57.16 57.36 3fgm n GLU 91 Cb 0.59 -5.23 -0.04 0.00 -0.02 0.00 0.00 31.44 26.74 3fgm n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fgm n ASN 92 N -2.42 -3.93 0.00 1.62 4.13 -1.26 -4.58 115.26 108.83 3fgm n ASN 92 Ca 0.00 0.28 0.00 0.00 1.68 0.00 0.00 54.58 56.55 3fgm n ASN 92 Cb 0.53 -3.52 0.00 0.00 -1.54 0.00 0.00 39.78 35.25 3fgm n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 3fgm n HIS 93 N -2.48 -1.53 -2.10 3.10 -0.00 -0.27 -5.15 115.22 106.79 3fgm n HIS 93 Ca -0.15 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.30 3fgm n HIS 93 Cb 0.52 0.51 0.09 0.00 -0.00 0.00 0.00 29.99 31.11 3fgm n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 3fgm s TYR 94 N -2.00 2.75 -0.08 1.57 1.51 -0.35 -4.82 117.35 115.93 3fgm s TYR 94 Ca 0.00 0.49 -0.00 0.00 -1.01 0.00 0.00 57.07 56.55 3fgm s TYR 94 Cb 0.00 -3.36 -0.03 0.00 -0.11 0.00 0.00 41.96 38.46 3fgm s TYR 94 CO 0.00 -1.64 -0.05 -0.80 -1.11 0.00 0.00 175.55 171.95 3fgm s ASN 95 N -4.58 4.76 0.17 2.29 -0.87 0.44 -0.41 114.94 116.75 3fgm s ASN 95 Ca 0.62 -0.01 0.10 0.00 -1.57 0.00 0.00 52.86 52.00 3fgm s ASN 95 Cb -0.10 -1.32 -0.04 0.00 -0.02 0.00 0.00 41.25 39.77 3fgm s ASN 95 CO 0.47 0.33 -0.22 0.42 -2.57 0.00 0.00 177.10 175.53 3fgm s THR 96 N -0.63 2.10 -0.23 1.60 -4.23 0.46 -0.96 115.64 113.74 3fgm s THR 96 Ca 0.10 -1.91 -0.00 0.00 -1.18 0.00 0.00 61.69 58.70 3fgm s THR 96 Cb -0.12 -1.95 0.06 0.00 1.34 0.00 0.00 72.50 71.83 3fgm s THR 96 CO 0.02 -0.15 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.61 3fgm s TYR 97 N -1.65 2.11 -0.16 3.99 2.02 -1.26 -1.30 117.35 121.10 3fgm s TYR 97 Ca 0.17 -1.58 -0.08 0.00 -0.37 0.00 0.00 57.07 55.20 3fgm s TYR 97 Cb -0.08 -1.48 -0.04 0.00 -0.40 0.00 0.00 41.96 39.95 3fgm s TYR 97 CO 0.08 -0.75 0.12 0.42 -1.57 0.00 0.00 175.55 173.86 3fgm s ILE 98 N 1.49 5.36 0.07 2.71 1.01 -0.38 -0.93 121.20 130.52 3fgm s ILE 98 Ca -0.04 0.16 -0.30 0.00 0.00 0.00 0.00 60.65 60.47 3fgm s ILE 98 Cb -0.18 -3.38 -0.09 0.00 0.01 0.00 0.00 42.46 38.81 3fgm s ILE 98 CO -0.07 0.53 1.87 -0.55 0.00 0.00 0.00 174.94 176.72 3fgm s SER 99 N -0.34 6.47 0.06 3.58 0.15 -0.37 0.52 113.70 123.76 3fgm s SER 99 Ca 0.11 2.66 -0.22 0.00 0.70 0.00 0.00 55.95 59.20 3fgm s SER 99 Cb -0.12 -2.55 -0.13 0.00 -1.71 0.00 0.00 66.02 61.52 3fgm s SER 99 CO 0.01 -1.02 1.55 0.50 1.20 0.00 0.00 173.24 175.49 3fgm h LYS 100 N 9.61 0.17 -0.82 5.44 3.64 -1.62 0.57 116.57 133.55 3fgm h LYS 100 Ca -0.47 -0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.02 3fgm h LYS 100 Cb 1.22 -0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.92 3fgm h LYS 100 CO 0.94 0.34 0.39 -0.22 -2.27 0.00 0.00 179.45 178.64 3fgm h LYS 101 N -0.02 0.54 -0.48 1.90 1.63 -1.76 -2.25 116.57 116.12 3fgm h LYS 101 Ca 0.03 -0.03 -0.26 0.00 -0.85 0.00 0.00 60.65 59.54 3fgm h LYS 101 Cb 0.24 -0.12 -0.15 0.00 -0.60 0.00 0.00 32.23 31.60 3fgm h LYS 101 CO 0.00 0.36 0.01 0.72 -3.45 0.00 0.00 179.45 177.09 3fgm n HIS 102 N -4.92 1.49 -0.31 1.91 8.25 -1.13 -4.77 115.22 115.74 3fgm n HIS 102 Ca 0.16 -1.72 0.12 0.00 -0.26 0.00 0.00 57.72 56.03 3fgm n HIS 102 Cb 0.44 -0.58 0.35 0.00 1.12 0.00 0.00 29.99 31.32 3fgm n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fgm h ALA 103 N 1.07 1.78 0.00 -1.41 0.00 -0.25 -0.30 119.26 120.16 3fgm h ALA 103 Ca 0.30 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 3fgm h ALA 103 Cb 1.80 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 3fgm h ALA 103 CO 0.54 -0.07 -0.08 1.05 0.00 0.00 0.00 179.25 180.69 3fgm h GLU 104 N 0.73 0.00 -0.02 0.00 9.09 -1.86 -2.06 114.58 120.47 3fgm h GLU 104 Ca 0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.91 3fgm h GLU 104 Cb 0.78 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.88 3fgm h GLU 104 CO -0.26 0.08 -0.05 1.63 0.05 0.00 0.00 179.01 180.46 3fgm n LYS 105 N -3.66 1.77 -3.55 1.06 5.02 -0.13 -4.98 118.16 113.69 3fgm n LYS 105 Ca -0.02 -1.23 -0.19 0.00 -2.02 0.00 0.00 58.31 54.85 3fgm n LYS 105 Cb 0.19 -1.47 0.06 0.00 -0.02 0.00 0.00 35.03 33.79 3fgm n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3fgm n ASN 106 N 0.46 -1.90 -4.63 4.39 4.13 -0.78 -4.95 115.26 111.98 3fgm n ASN 106 Ca 0.16 -0.72 -0.39 0.00 1.68 0.00 0.00 54.58 55.31 3fgm n ASN 106 Cb 0.44 -4.60 -0.08 0.00 -1.54 0.00 0.00 39.78 33.99 3fgm n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3fgm s TRP 107 N -3.51 3.30 0.26 3.10 0.52 -1.25 -4.42 118.94 116.94 3fgm s TRP 107 Ca 0.03 0.55 0.09 0.00 0.02 0.00 0.00 56.10 56.79 3fgm s TRP 107 Cb -0.01 -2.60 -0.04 0.00 -1.15 0.00 0.00 33.47 29.67 3fgm s TRP 107 CO 0.77 -0.17 0.07 -0.06 0.02 0.00 0.00 176.95 177.58 3fgm s PHE 108 N 1.88 2.85 -0.12 -1.98 0.40 -1.26 -1.24 117.98 118.52 3fgm s PHE 108 Ca 0.18 -0.18 -0.25 0.00 -0.60 0.00 0.00 56.93 56.08 3fgm s PHE 108 Cb -0.15 -1.27 -0.02 0.00 0.51 0.00 0.00 43.02 42.08 3fgm s PHE 108 CO 0.09 0.58 0.81 0.08 0.70 0.00 0.00 175.22 177.48 3fgm s VAL 109 N -2.25 4.93 0.10 -0.44 1.01 -0.10 -4.61 120.40 119.04 3fgm s VAL 109 Ca 0.32 1.63 -0.23 0.00 0.00 0.00 0.00 61.98 63.70 3fgm s VAL 109 Cb -0.07 -4.13 0.06 0.00 0.00 0.00 0.00 36.38 32.24 3fgm s VAL 109 CO 0.22 0.11 0.56 -0.83 0.00 0.00 0.00 175.10 175.16 3fgm s GLY 110 N 1.03 -0.51 0.01 4.51 0.00 -1.26 -4.53 107.32 106.57 3fgm s GLY 110 Ca 0.40 0.52 0.07 0.00 0.00 0.00 0.00 44.72 45.71 3fgm s GLY 110 CO 0.16 0.20 -0.22 1.08 0.00 0.00 0.00 173.10 174.32 3fgm s LEU 111 N -2.39 2.10 0.74 0.66 1.43 -0.86 -1.20 118.68 119.15 3fgm s LEU 111 Ca -0.02 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.51 3fgm s LEU 111 Cb -0.00 -1.12 0.04 0.00 0.03 0.00 0.00 46.19 45.13 3fgm s LEU 111 CO -0.08 0.24 1.12 -0.54 0.23 0.00 0.00 176.35 177.32 3fgm s LYS 112 N -0.81 2.57 0.54 1.70 1.02 0.14 -4.48 119.74 120.41 3fgm s LYS 112 Ca 0.09 0.39 0.22 0.00 0.02 0.00 0.00 55.97 56.68 3fgm s LYS 112 Cb -0.09 -2.00 1.39 0.00 -0.52 0.00 0.00 37.83 36.62 3fgm s LYS 112 CO 0.00 -1.22 2.08 0.87 -0.92 0.00 0.00 175.35 176.16 3fgm h LYS 113 N -0.79 0.00 -0.11 1.68 1.57 -1.87 0.98 116.57 118.03 3fgm h LYS 113 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3fgm h LYS 113 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 3fgm h LYS 113 CO 0.64 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.79 3fgm n ASN 114 N -4.35 0.97 0.00 0.86 6.94 -1.26 -4.45 115.26 113.97 3fgm n ASN 114 Ca 0.03 -1.63 0.00 0.00 -0.02 0.00 0.00 54.58 52.96 3fgm n ASN 114 Cb 0.33 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.69 3fgm n ASN 114 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3fgm n GLY 115 N 0.97 1.15 3.86 4.83 0.00 0.34 -5.01 105.19 111.31 3fgm n GLY 115 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3fgm n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fgm s SER 116 N -3.04 6.62 0.22 1.61 1.04 -1.26 -1.46 113.70 117.43 3fgm s SER 116 Ca 0.00 1.36 -0.30 0.00 0.48 0.00 0.00 55.95 57.49 3fgm s SER 116 Cb 0.00 -2.42 -0.09 0.00 0.10 0.00 0.00 66.02 63.62 3fgm s SER 116 CO 0.00 -0.45 1.21 -0.69 0.98 0.00 0.00 173.24 174.29 3fgm s VAL 117 N -2.42 3.39 -0.12 5.02 1.01 -1.26 0.24 120.40 126.26 3fgm s VAL 117 Ca 0.55 1.23 -0.22 0.00 0.00 0.00 0.00 61.98 63.54 3fgm s VAL 117 Cb -0.10 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 3fgm s VAL 117 CO 0.29 0.22 0.66 -0.75 0.00 0.00 0.00 175.10 175.51 3fgm s LYS 118 N -0.60 4.35 0.44 2.72 2.20 -0.34 -4.80 119.74 123.71 3fgm s LYS 118 Ca 0.52 0.75 -0.25 0.00 -0.36 0.00 0.00 55.97 56.63 3fgm s LYS 118 Cb -0.34 -3.49 -0.08 0.00 -1.51 0.00 0.00 37.83 32.41 3fgm s LYS 118 CO 0.39 -0.03 1.32 0.50 -0.36 0.00 0.00 175.35 177.17 3fgm s ARG 119 N 1.18 3.77 0.16 4.03 3.52 -1.26 -4.51 118.95 125.85 3fgm s ARG 119 Ca 0.33 2.18 -0.28 0.00 -0.13 0.00 0.00 55.73 57.83 3fgm s ARG 119 Cb -0.17 -2.63 -0.02 0.00 -1.56 0.00 0.00 34.95 30.58 3fgm s ARG 119 CO 0.14 -0.66 1.48 0.41 -0.81 0.00 0.00 175.30 175.86 3fgm n GLY 120 N 0.63 -2.41 0.34 8.12 0.00 0.19 -0.49 105.19 111.57 3fgm n GLY 120 Ca 0.05 1.13 0.21 0.00 0.00 0.00 0.00 46.02 47.41 3fgm n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fgm h PRO 121 N 0.00 0.00 -0.00 1.61 0.11 -1.86 -1.02 132.00 130.83 3fgm h PRO 121 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3fgm h PRO 121 Cb 0.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.53 3fgm h PRO 121 CO -0.91 0.00 -0.45 0.54 -0.21 0.00 0.00 178.00 176.97 3fgm n ARG 122 N -3.16 0.09 -2.97 1.05 5.12 0.35 -4.88 116.66 112.26 3fgm n ARG 122 Ca -0.03 -0.05 -0.22 0.00 -1.93 0.00 0.00 57.85 55.63 3fgm n ARG 122 Cb 0.13 -1.50 0.01 0.00 -1.16 0.00 0.00 32.46 29.95 3fgm n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3fgm s THR 123 N -2.95 3.72 -0.25 0.55 -4.23 -0.39 -4.95 115.64 107.14 3fgm s THR 123 Ca 0.13 -0.60 -0.38 0.00 -1.18 0.00 0.00 61.69 59.66 3fgm s THR 123 Cb 0.18 -3.37 0.16 0.00 1.34 0.00 0.00 72.50 70.81 3fgm s THR 123 CO 0.67 -0.24 1.40 -1.38 -0.54 0.00 0.00 174.62 174.53 3fgm s HIS 124 N -2.55 -0.01 0.47 3.99 -3.43 -1.26 -4.83 115.29 107.67 3fgm s HIS 124 Ca 0.50 0.00 -0.23 0.00 -0.80 0.00 0.00 55.06 54.54 3fgm s HIS 124 Cb -0.10 0.50 -0.09 0.00 -1.43 0.00 0.00 32.58 31.46 3fgm s HIS 124 CO 0.37 -0.02 0.98 0.66 -2.00 0.00 0.00 174.74 174.74 3fgm n TYR 125 N -0.10 1.02 0.00 0.38 4.01 -1.26 -2.83 117.16 118.37 3fgm n TYR 125 Ca 0.03 0.52 0.00 0.00 -0.16 0.00 0.00 57.90 58.28 3fgm n TYR 125 Cb 0.58 -2.20 0.00 0.00 -0.31 0.00 0.00 39.34 37.41 3fgm n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fgm n GLY 126 N 1.23 2.37 3.85 2.72 0.00 -1.26 -5.06 105.19 109.03 3fgm n GLY 126 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3fgm n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fgm s GLN 127 N -0.85 3.91 0.25 1.61 -0.21 -1.13 -4.97 119.66 118.27 3fgm s GLN 127 Ca 0.00 0.86 0.20 0.00 0.02 0.00 0.00 55.36 56.44 3fgm s GLN 127 Cb 0.00 -2.18 0.08 0.00 1.00 0.00 0.00 33.01 31.91 3fgm s GLN 127 CO 0.00 -0.24 1.24 0.87 -2.12 0.00 0.00 175.29 175.04 3fgm h LYS 128 N 0.93 0.00 0.00 2.91 1.79 -1.97 -3.32 116.57 116.91 3fgm h LYS 128 Ca -0.47 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 57.99 3fgm h LYS 128 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 3fgm h LYS 128 CO 0.62 0.17 -0.05 0.00 -1.08 0.00 0.00 179.45 179.11 3fgm h ALA 129 N 1.77 1.64 -0.01 3.86 0.00 -1.94 -2.32 119.26 122.27 3fgm h ALA 129 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3fgm h ALA 129 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3fgm h ALA 129 CO 0.02 0.07 -0.18 0.44 0.00 0.00 0.00 179.25 179.60 3fgm n ILE 130 N -4.08 0.00 -2.97 0.00 -5.35 -1.25 -2.04 119.36 103.67 3fgm n ILE 130 Ca -0.03 -0.16 -0.42 0.00 -0.27 0.00 0.00 62.75 61.88 3fgm n ILE 130 Cb 0.14 0.40 -0.05 0.00 -1.74 0.00 0.00 39.64 38.38 3fgm n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3fgm s LEU 131 N -2.37 4.10 0.13 7.28 1.43 -0.87 -4.49 118.68 123.89 3fgm s LEU 131 Ca 0.28 0.57 0.08 0.00 -1.03 0.00 0.00 54.13 54.03 3fgm s LEU 131 Cb 0.20 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 3fgm s LEU 131 CO 0.47 -0.62 -0.14 0.26 0.23 0.00 0.00 176.35 176.55 3fgm s TRP 132 N 2.93 2.61 -0.16 0.29 0.52 -0.14 -3.73 118.94 121.26 3fgm s TRP 132 Ca 0.31 -0.23 -0.00 0.00 0.02 0.00 0.00 56.10 56.20 3fgm s TRP 132 Cb -0.14 -1.35 0.04 0.00 -1.15 0.00 0.00 33.47 30.87 3fgm s TRP 132 CO 0.13 0.43 -0.08 -0.51 0.02 0.00 0.00 176.95 176.94 3fgm s LEU 133 N -2.33 1.68 -0.04 2.99 1.43 -0.31 -0.42 118.68 121.68 3fgm s LEU 133 Ca 0.21 -0.61 -0.30 0.00 -1.03 0.00 0.00 54.13 52.39 3fgm s LEU 133 Cb -0.10 -1.00 -0.03 0.00 0.03 0.00 0.00 46.19 45.08 3fgm s LEU 133 CO 0.12 -0.14 1.14 -2.16 0.23 0.00 0.00 176.35 175.53 3fgm s PRO 134 N 1.58 4.41 -0.04 1.29 0.04 -1.26 -1.38 135.00 139.63 3fgm s PRO 134 Ca 0.02 1.60 0.06 0.00 0.04 0.00 0.00 61.00 62.73 3fgm s PRO 134 Cb -0.15 -3.51 -0.01 0.00 0.04 0.00 0.00 34.50 30.88 3fgm s PRO 134 CO -0.08 -0.34 -0.24 -0.51 0.04 0.00 0.00 177.00 175.87 3fgm s LEU 135 N 1.82 2.04 0.58 -3.56 1.43 0.21 -4.92 118.68 116.28 3fgm s LEU 135 Ca 0.54 -0.47 -0.20 0.00 -1.03 0.00 0.00 54.13 52.98 3fgm s LEU 135 Cb -0.24 -1.28 -0.05 0.00 0.03 0.00 0.00 46.19 44.66 3fgm s LEU 135 CO 0.23 0.25 1.11 -2.65 0.23 0.00 0.00 176.35 175.52 3fgm n PRO 136 N 2.82 1.14 0.00 1.29 -0.02 -1.26 0.37 135.00 139.34 3fgm n PRO 136 Ca -0.17 0.43 0.12 0.00 -2.02 0.00 0.00 63.50 61.87 3fgm n PRO 136 Cb 0.52 -2.31 0.74 0.00 -0.02 0.00 0.00 33.50 32.43 3fgm n PRO 136 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81