#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gag n MET 2 N 0.00 0.90 -3.89 2.12 2.00 -1.26 -4.79 117.12 112.21 2gag n MET 2 Ca 0.00 0.37 -0.35 0.00 0.00 0.00 0.00 57.70 57.72 2gag n MET 2 Cb 0.00 -2.52 -0.14 0.00 0.00 0.00 0.00 33.22 30.57 2gag n MET 2 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 2gag s LEU 3 N -4.68 3.88 -0.24 4.03 2.96 -1.26 -0.77 118.68 122.60 2gag s LEU 3 Ca 0.81 -1.20 -0.10 0.00 -0.22 0.00 0.00 54.13 53.41 2gag s LEU 3 Cb -0.36 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.55 2gag s LEU 3 CO 0.42 -0.25 0.14 -0.63 -1.32 0.00 0.00 176.35 174.72 2gag s ILE 4 N 1.28 5.18 -1.11 6.68 1.01 -0.01 -4.86 121.20 129.38 2gag s ILE 4 Ca -0.04 0.12 -0.19 0.00 0.00 0.00 0.00 60.65 60.53 2gag s ILE 4 Cb -0.19 -3.42 0.09 0.00 0.01 0.00 0.00 42.46 38.95 2gag s ILE 4 CO -0.01 0.34 1.47 -0.62 0.00 0.00 0.00 174.94 176.12 2gag s ASP 5 N 1.14 6.72 0.24 3.58 2.15 -1.26 -1.00 116.67 128.23 2gag s ASP 5 Ca 0.07 -2.10 -0.31 0.00 0.43 0.00 0.00 52.55 50.63 2gag s ASP 5 Cb -0.14 -2.51 -0.12 0.00 -0.30 0.00 0.00 42.92 39.85 2gag s ASP 5 CO 0.05 -1.20 1.65 0.00 -0.17 0.00 0.00 175.17 175.50 2gag h PRO 7 N 5.80 0.00 0.00 0.00 0.11 -1.94 0.43 132.00 136.41 2gag h PRO 7 Ca -0.45 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.35 2gag h PRO 7 Cb 1.22 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 2gag h PRO 7 CO 0.88 0.00 -2.15 0.09 -0.21 0.00 0.00 178.00 176.61 2gag n ASN 8 N -3.32 2.24 -0.31 -2.05 5.03 -1.26 -4.73 115.26 110.86 2gag n ASN 8 Ca -0.02 -0.02 0.11 0.00 0.87 0.00 0.00 54.58 55.52 2gag n ASN 8 Cb 0.20 -0.39 -0.05 0.00 -1.02 0.00 0.00 39.78 38.52 2gag n ASN 8 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2gag n GLY 10 N 1.45 -2.15 3.66 0.00 0.00 0.14 -4.88 105.19 103.41 2gag n GLY 10 Ca 0.07 -1.46 -0.51 0.00 0.00 0.00 0.00 46.02 44.12 2gag n GLY 10 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2gag n PRO 11 N -0.29 1.67 -4.00 1.61 -0.02 -1.26 -2.14 135.00 130.57 2gag n PRO 11 Ca 0.00 0.61 -0.08 0.00 -2.02 0.00 0.00 63.50 62.01 2gag n PRO 11 Cb 0.00 -2.35 -0.10 0.00 -0.02 0.00 0.00 33.50 31.04 2gag n PRO 11 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2gag s ARG 12 N 2.35 0.60 0.55 -0.52 1.81 -0.17 -4.93 118.95 118.64 2gag s ARG 12 Ca 0.89 -0.99 -0.20 0.00 -1.72 0.00 0.00 55.73 53.71 2gag s ARG 12 Cb -0.85 0.22 -0.05 0.00 -0.45 0.00 0.00 34.95 33.83 2gag s ARG 12 CO 0.51 -0.14 1.21 -0.80 -0.68 0.00 0.00 175.30 175.40 2gag s ASN 13 N -2.53 5.48 0.45 0.23 0.01 -1.26 -0.83 114.94 116.49 2gag s ASN 13 Ca 0.01 2.39 0.20 0.00 -0.71 0.00 0.00 52.86 54.75 2gag s ASN 13 Cb 0.03 -2.60 1.17 0.00 0.41 0.00 0.00 41.25 40.26 2gag s ASN 13 CO -0.08 -1.39 1.90 1.05 -1.51 0.00 0.00 177.10 177.07 2gag h GLU 14 N 1.25 0.29 0.00 -0.60 4.11 -1.26 -0.75 114.58 117.62 2gag h GLU 14 Ca -0.50 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.91 2gag h GLU 14 Cb 1.28 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2gag h GLU 14 CO 0.57 0.19 0.00 0.27 0.07 0.00 0.00 179.01 180.11 2gag n ASN 15 N -4.45 0.00 -0.52 3.06 6.94 -1.26 -1.54 115.26 117.49 2gag n ASN 15 Ca 0.17 -1.41 0.13 0.00 -0.02 0.00 0.00 54.58 53.44 2gag n ASN 15 Cb 0.68 0.00 0.31 0.00 -2.36 0.00 0.00 39.78 38.40 2gag n ASN 15 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2gag n GLU 16 N -0.63 1.51 -4.42 -3.83 1.02 -0.29 -4.90 120.64 109.09 2gag n GLU 16 Ca 0.05 -1.05 -0.27 0.00 -0.02 0.00 0.00 57.16 55.88 2gag n GLU 16 Cb 0.02 -1.48 -0.11 0.00 -0.02 0.00 0.00 31.44 29.85 2gag n GLU 16 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2gag s PHE 17 N -2.21 2.31 -0.07 -0.32 0.08 -0.59 -1.02 117.98 116.16 2gag s PHE 17 Ca 0.29 -0.35 -0.01 0.00 0.12 0.00 0.00 56.93 56.98 2gag s PHE 17 Cb 0.20 -1.13 -0.03 0.00 -0.57 0.00 0.00 43.02 41.49 2gag s PHE 17 CO 0.42 0.53 -0.03 0.21 -0.10 0.00 0.00 175.22 176.25 2gag s LYS 18 N -2.77 2.87 0.21 0.44 2.20 -0.23 -4.86 119.74 117.60 2gag s LYS 18 Ca 0.22 -0.48 -0.28 0.00 -0.36 0.00 0.00 55.97 55.07 2gag s LYS 18 Cb -0.08 -2.70 -0.09 0.00 -1.51 0.00 0.00 37.83 33.46 2gag s LYS 18 CO 0.11 0.68 0.88 -0.47 -0.36 0.00 0.00 175.35 176.19 2gag s TYR 19 N -0.87 3.96 -0.31 4.03 5.04 -1.26 -1.88 117.35 126.06 2gag s TYR 19 Ca 0.13 1.81 0.08 0.00 -2.44 0.00 0.00 57.07 56.65 2gag s TYR 19 Cb -0.11 -2.90 0.19 0.00 0.35 0.00 0.00 41.96 39.48 2gag s TYR 19 CO 0.02 0.47 1.14 0.41 -1.34 0.00 0.00 175.55 176.26 2gag n GLY 20 N 1.55 3.34 7.00 8.97 0.00 0.11 -4.94 105.19 121.21 2gag n GLY 20 Ca -0.03 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2gag n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gag n GLY 21 N -0.36 -0.26 3.71 -0.02 0.00 -1.25 -4.58 105.19 102.44 2gag n GLY 21 Ca 0.08 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 2gag n GLY 21 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2gag n GLU 22 N -0.03 2.25 -2.62 1.61 2.13 -1.26 -0.81 120.64 121.91 2gag n GLU 22 Ca 0.00 0.79 -0.26 0.00 0.66 0.00 0.00 57.16 58.35 2gag n GLU 22 Cb 0.00 -2.43 0.02 0.00 0.27 0.00 0.00 31.44 29.30 2gag n GLU 22 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2gag s ALA 23 N -0.82 3.44 -1.27 4.31 0.00 -0.07 -4.47 121.76 122.88 2gag s ALA 23 Ca 0.58 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.81 2gag s ALA 23 Cb -0.56 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.08 2gag s ALA 23 CO 0.59 -0.57 0.00 0.72 0.00 0.00 0.00 175.76 176.51 2gag n HIS 24 N -2.36 -0.54 -3.81 0.00 8.25 -1.26 -4.90 115.22 110.59 2gag n HIS 24 Ca 0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.14 2gag n HIS 24 Cb 0.57 -2.92 -0.12 0.00 1.12 0.00 0.00 29.99 28.64 2gag n HIS 24 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2gag s VAL 25 N -2.67 3.19 0.38 1.59 1.01 -1.26 -5.09 120.40 117.56 2gag s VAL 25 Ca 0.00 -2.53 -0.11 0.00 0.00 0.00 0.00 61.98 59.34 2gag s VAL 25 Cb 0.00 -3.17 -0.07 0.00 0.00 0.00 0.00 36.38 33.14 2gag s VAL 25 CO 0.00 -0.75 0.75 0.00 0.00 0.00 0.00 175.10 175.10 2gag s ALA 26 N 0.56 3.36 0.19 5.51 0.00 -1.26 -5.03 121.76 125.09 2gag s ALA 26 Ca 0.12 -0.19 -0.31 0.00 0.00 0.00 0.00 51.96 51.59 2gag s ALA 26 Cb -0.22 -2.69 -0.10 0.00 0.00 0.00 0.00 23.12 20.12 2gag s ALA 26 CO -0.04 0.06 1.46 -0.47 0.00 0.00 0.00 175.76 176.77 2gag s TYR 27 N -2.29 3.10 0.26 0.00 5.04 -1.26 -4.92 117.35 117.28 2gag s TYR 27 Ca 0.51 0.89 -0.30 0.00 -2.44 0.00 0.00 57.07 55.73 2gag s TYR 27 Cb -0.10 -3.81 -0.14 0.00 0.35 0.00 0.00 41.96 38.26 2gag s TYR 27 CO 0.29 -2.80 1.26 -2.30 -1.34 0.00 0.00 175.55 170.67 2gag n PRO 28 N 3.24 1.77 -0.08 4.97 -0.02 -1.26 -4.85 135.00 138.77 2gag n PRO 28 Ca 0.10 0.63 0.08 0.00 -2.02 0.00 0.00 63.50 62.29 2gag n PRO 28 Cb 0.40 -2.19 0.45 0.00 -0.02 0.00 0.00 33.50 32.15 2gag n PRO 28 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gag h ALA 29 N 3.29 1.86 -2.27 3.55 0.00 -2.05 -3.35 119.26 120.29 2gag h ALA 29 Ca -0.44 -0.02 -0.44 0.00 0.00 0.00 0.00 54.91 54.02 2gag h ALA 29 Cb 1.30 -0.13 -0.35 0.00 0.00 0.00 0.00 17.79 18.61 2gag h ALA 29 CO 0.69 0.04 -0.73 0.34 0.00 0.00 0.00 179.25 179.59 2gag s ASP 30 N -6.37 2.06 0.42 0.00 2.15 -1.26 -5.03 116.67 108.65 2gag s ASP 30 Ca -0.08 -1.52 0.17 0.00 0.43 0.00 0.00 52.55 51.55 2gag s ASP 30 Cb 0.19 0.18 1.08 0.00 -0.30 0.00 0.00 42.92 44.07 2gag s ASP 30 CO 0.75 -0.33 1.87 -0.65 -0.17 0.00 0.00 175.17 176.64 2gag h PRO 31 N 7.49 0.40 0.00 4.34 0.11 -1.97 -2.02 132.00 140.35 2gag h PRO 31 Ca -0.02 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2gag h PRO 31 Cb 1.03 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2gag h PRO 31 CO 0.28 0.26 0.00 0.72 -0.21 0.00 0.00 178.00 179.05 2gag n HIS 32 N -4.50 0.48 1.44 0.65 8.25 -1.26 -2.20 115.22 118.08 2gag n HIS 32 Ca 0.18 0.17 0.14 0.00 -0.26 0.00 0.00 57.72 57.95 2gag n HIS 32 Cb 0.66 -0.77 0.48 0.00 1.12 0.00 0.00 29.99 31.48 2gag n HIS 32 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gag n ALA 33 N -1.66 2.62 -2.61 -1.41 0.00 -0.76 -4.86 120.51 111.83 2gag n ALA 33 Ca 0.04 -0.46 -0.35 0.00 0.00 0.00 0.00 53.44 52.68 2gag n ALA 33 Cb 0.27 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.53 2gag n ALA 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2gag s LEU 34 N -2.05 4.35 0.84 0.00 1.02 -0.94 -5.08 118.68 116.83 2gag s LEU 34 Ca 0.36 0.75 -0.12 0.00 0.02 0.00 0.00 54.13 55.14 2gag s LEU 34 Cb 0.21 -2.94 0.10 0.00 0.02 0.00 0.00 46.19 43.58 2gag s LEU 34 CO 0.35 0.18 1.13 -0.94 0.02 0.00 0.00 176.35 177.09 2gag s SER 35 N -1.77 4.11 0.45 2.29 1.04 -1.26 -4.78 113.70 113.78 2gag s SER 35 Ca 0.32 1.07 0.13 0.00 0.48 0.00 0.00 55.95 57.95 2gag s SER 35 Cb -0.14 -1.71 1.02 0.00 0.10 0.00 0.00 66.02 65.30 2gag s SER 35 CO 0.18 -2.18 2.04 0.44 0.98 0.00 0.00 173.24 174.69 2gag h ASP 36 N -1.24 0.11 0.06 7.02 5.19 -1.98 0.25 116.42 125.83 2gag h ASP 36 Ca -0.48 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 55.91 2gag h ASP 36 Cb 1.30 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.79 2gag h ASP 36 CO 0.62 0.19 -0.03 0.50 -3.12 0.00 0.00 179.24 177.40 2gag h LYS 37 N 0.12 -0.07 -0.68 3.56 3.64 -1.99 0.12 116.57 121.26 2gag h LYS 37 Ca 0.03 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 2gag h LYS 37 Cb 0.18 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 2gag h LYS 37 CO 0.01 0.17 0.19 1.96 -2.27 0.00 0.00 179.45 179.51 2gag h GLN 38 N -0.31 1.07 -0.54 1.90 4.20 -1.82 -2.40 115.11 117.20 2gag h GLN 38 Ca -0.01 -0.23 -0.08 0.00 0.06 0.00 0.00 58.65 58.39 2gag h GLN 38 Cb 0.28 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2gag h GLN 38 CO 0.01 0.93 0.04 2.35 -0.67 0.00 0.00 178.83 181.49 2gag h TRP 39 N 1.02 0.96 0.00 2.96 2.91 -0.87 -2.09 115.95 120.83 2gag h TRP 39 Ca 0.22 -0.13 -0.03 0.00 1.13 0.00 0.00 58.89 60.07 2gag h TRP 39 Cb 0.33 -0.26 -0.00 0.00 -0.51 0.00 0.00 29.16 28.71 2gag h TRP 39 CO 0.02 0.85 -0.16 0.66 -1.03 0.00 0.00 178.44 178.79 2gag h SER 40 N 0.84 0.00 0.16 2.65 4.64 -0.49 -1.18 113.55 120.17 2gag h SER 40 Ca 0.16 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.28 2gag h SER 40 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2gag h SER 40 CO 0.02 0.16 -0.78 0.03 -0.87 0.00 0.00 176.83 175.39 2gag h ARG 41 N 0.00 0.51 -0.36 4.77 -0.00 -0.99 -0.34 114.38 117.97 2gag h ARG 41 Ca -0.00 -0.44 -0.12 0.00 -0.50 0.00 0.00 59.98 58.92 2gag h ARG 41 Cb 0.28 0.10 -0.01 0.00 0.00 0.00 0.00 29.97 30.34 2gag h ARG 41 CO 0.02 1.07 -0.26 -0.92 0.00 0.00 0.00 179.97 179.88 2gag h TYR 42 N 0.34 0.84 0.06 3.04 3.20 -0.69 -2.11 116.97 121.65 2gag h TYR 42 Ca -0.04 -0.20 -0.27 0.00 3.14 0.00 0.00 58.73 61.36 2gag h TYR 42 Cb 1.38 -0.20 0.02 0.00 1.54 0.00 0.00 36.73 39.47 2gag h TYR 42 CO 0.06 0.92 -1.07 -0.07 -1.64 0.00 0.00 178.16 176.35 2gag h LEU 43 N 0.64 0.84 -0.19 2.82 3.38 -1.18 -3.42 115.31 118.19 2gag h LEU 43 Ca 0.08 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.27 2gag h LEU 43 Cb 0.76 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2gag h LEU 43 CO 0.06 1.53 0.00 0.49 0.09 0.00 0.00 178.44 180.61 2gag n PHE 44 N -3.88 0.00 -4.70 1.13 3.72 -0.15 -5.05 117.46 108.53 2gag n PHE 44 Ca -0.12 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.95 2gag n PHE 44 Cb 0.90 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 39.31 2gag n PHE 44 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2gag s TYR 45 N -0.63 2.86 0.05 1.38 2.02 -0.79 -5.02 117.35 117.21 2gag s TYR 45 Ca 0.00 -0.48 -0.08 0.00 -0.37 0.00 0.00 57.07 56.14 2gag s TYR 45 Cb 0.00 -1.84 -0.00 0.00 -0.40 0.00 0.00 41.96 39.72 2gag s TYR 45 CO 0.00 -0.10 0.16 1.03 -1.57 0.00 0.00 175.55 175.07 2gag s ARG 46 N 0.19 0.69 0.70 -0.62 1.81 -1.26 -4.70 118.95 115.76 2gag s ARG 46 Ca -0.06 -0.74 -0.14 0.00 -1.72 0.00 0.00 55.73 53.06 2gag s ARG 46 Cb -0.15 0.28 0.02 0.00 -0.45 0.00 0.00 34.95 34.65 2gag s ARG 46 CO 0.04 -0.20 1.13 -0.65 -0.68 0.00 0.00 175.30 174.95 2gag s GLN 47 N -2.87 2.51 -0.36 3.54 -1.52 -1.26 -4.97 119.66 114.73 2gag s GLN 47 Ca -0.03 1.47 0.14 0.00 -1.95 0.00 0.00 55.36 54.99 2gag s GLN 47 Cb 0.00 -1.91 0.39 0.00 -0.22 0.00 0.00 33.01 31.27 2gag s GLN 47 CO -0.06 -1.49 0.83 -1.71 -0.25 0.00 0.00 175.29 172.61 2gag n ASN 48 N -2.67 0.87 -4.76 5.90 5.15 -1.26 -4.79 115.26 113.70 2gag n ASN 48 Ca 0.11 -2.92 -0.41 0.00 -0.60 0.00 0.00 54.58 50.76 2gag n ASN 48 Cb 0.52 -0.47 -0.01 0.00 -0.53 0.00 0.00 39.78 39.28 2gag n ASN 48 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2gag s LYS 49 N -2.52 4.17 -0.61 1.20 -0.14 -1.26 -4.98 119.74 115.60 2gag s LYS 49 Ca 0.35 2.49 -0.17 0.00 -1.36 0.00 0.00 55.97 57.28 2gag s LYS 49 Cb 0.39 -3.02 0.14 0.00 -1.68 0.00 0.00 37.83 33.65 2gag s LYS 49 CO -0.04 -0.51 0.62 0.21 -0.76 0.00 0.00 175.35 174.87 2gag s LYS 50 N -1.21 3.12 0.00 1.68 2.20 -1.26 -4.71 119.74 119.56 2gag s LYS 50 Ca 0.57 -1.73 0.00 0.00 -0.36 0.00 0.00 55.97 54.46 2gag s LYS 50 Cb -0.45 -4.33 0.00 0.00 -1.51 0.00 0.00 37.83 31.53 2gag s LYS 50 CO 0.53 -1.40 0.00 0.41 -0.36 0.00 0.00 175.35 174.54 2gag n GLY 51 N 5.06 0.62 3.72 5.54 0.00 -1.26 -4.94 105.19 113.93 2gag n GLY 51 Ca -0.07 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 2gag n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gag s ILE 52 N -2.71 2.12 -0.01 -0.61 1.01 -1.26 -0.31 121.20 119.43 2gag s ILE 52 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.69 2gag s ILE 52 Cb 0.00 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.45 2gag s ILE 52 CO 0.00 0.00 -0.03 0.12 0.00 0.00 0.00 174.94 175.03 2gag s PHE 53 N 1.43 0.31 -0.34 3.97 5.36 0.35 -4.91 117.98 124.15 2gag s PHE 53 Ca 0.76 -0.05 -0.21 0.00 -0.96 0.00 0.00 56.93 56.47 2gag s PHE 53 Cb -0.49 -0.23 -0.00 0.00 -0.34 0.00 0.00 43.02 41.95 2gag s PHE 53 CO 0.33 -0.03 0.65 0.00 -1.46 0.00 0.00 175.22 174.71 2gag s ALA 54 N 0.11 3.48 0.31 11.12 0.00 -1.26 -1.54 121.76 133.99 2gag s ALA 54 Ca -0.01 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.24 2gag s ALA 54 Cb -0.03 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 2gag s ALA 54 CO -0.00 -1.25 0.15 -1.83 0.00 0.00 0.00 175.76 172.82 2gag s GLU 55 N 2.72 1.62 0.09 0.00 -1.05 -0.01 -0.89 118.70 121.17 2gag s GLU 55 Ca 0.26 -1.93 0.09 0.00 -0.15 0.00 0.00 54.97 53.24 2gag s GLU 55 Cb -0.14 -0.19 -0.03 0.00 -0.44 0.00 0.00 34.13 33.32 2gag s GLU 55 CO 0.14 -0.43 -0.25 1.03 0.95 0.00 0.00 175.26 176.69 2gag s ARG 56 N -3.82 1.48 0.03 -4.83 0.52 0.01 -0.49 118.95 111.85 2gag s ARG 56 Ca 0.35 -1.19 0.00 0.00 -0.52 0.00 0.00 55.73 54.37 2gag s ARG 56 Cb 0.05 -1.78 -0.02 0.00 0.52 0.00 0.00 34.95 33.71 2gag s ARG 56 CO 0.17 0.44 -0.04 -1.58 0.02 0.00 0.00 175.30 174.31 2gag s TRP 57 N -0.96 0.35 -0.05 -0.53 0.52 -0.56 0.04 118.94 117.76 2gag s TRP 57 Ca 0.11 -0.63 0.02 0.00 0.02 0.00 0.00 56.10 55.62 2gag s TRP 57 Cb -0.10 -0.25 0.02 0.00 -1.15 0.00 0.00 33.47 31.99 2gag s TRP 57 CO 0.04 -0.21 -0.09 0.54 0.02 0.00 0.00 176.95 177.24 2gag s VAL 58 N -1.91 0.91 -1.39 4.03 0.11 -0.79 -0.81 120.40 120.56 2gag s VAL 58 Ca -0.11 -0.35 -0.14 0.00 -2.93 0.00 0.00 61.98 58.45 2gag s VAL 58 Cb -0.07 -0.85 0.07 0.00 -1.53 0.00 0.00 36.38 34.00 2gag s VAL 58 CO -0.02 0.30 2.05 1.57 -3.33 0.00 0.00 175.10 175.66 2gag n HIS 59 N 3.84 3.71 -0.32 1.54 -0.00 -0.59 -1.07 115.22 122.33 2gag n HIS 59 Ca -0.23 -2.94 0.08 0.00 0.46 0.00 0.00 57.72 55.09 2gag n HIS 59 Cb 0.52 -2.45 0.24 0.00 -0.12 0.00 0.00 29.99 28.18 2gag n HIS 59 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2gag h ALA 60 N 6.29 1.40 -0.09 1.57 0.00 -1.76 0.30 119.26 126.97 2gag h ALA 60 Ca 0.51 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.48 2gag h ALA 60 Cb 0.69 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2gag h ALA 60 CO 1.74 -0.00 0.00 0.00 0.00 0.00 0.00 179.25 180.98 2gag n ALA 61 N -2.38 2.56 -2.15 0.00 0.00 -0.19 -4.57 120.51 113.78 2gag n ALA 61 Ca 0.19 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2gag n ALA 61 Cb 0.44 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2gag n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gag n GLY 62 N 1.05 2.64 0.00 0.00 0.00 -0.32 -4.97 105.19 103.58 2gag n GLY 62 Ca 0.16 -0.26 0.10 0.00 0.00 0.00 0.00 46.02 46.03 2gag n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gag n ARG 64 N -1.43 -1.66 -3.98 0.00 1.74 0.92 -4.98 116.66 107.27 2gag n ARG 64 Ca 0.07 1.03 -0.33 0.00 -0.77 0.00 0.00 57.85 57.85 2gag n ARG 64 Cb 0.22 -5.60 -0.06 0.00 -1.02 0.00 0.00 32.46 26.00 2gag n ARG 64 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2gag s LYS 65 N -4.65 3.28 0.30 5.56 -0.14 -1.26 -4.72 119.74 118.10 2gag s LYS 65 Ca 0.00 -0.40 -0.15 0.00 -1.36 0.00 0.00 55.97 54.06 2gag s LYS 65 Cb 0.00 -3.00 -0.09 0.00 -1.68 0.00 0.00 37.83 33.07 2gag s LYS 65 CO 0.00 0.66 0.72 -1.58 -0.76 0.00 0.00 175.35 174.39 2gag s TRP 66 N -1.28 3.42 0.28 3.18 0.52 -1.26 -1.54 118.94 122.25 2gag s TRP 66 Ca 0.26 1.21 -0.19 0.00 0.02 0.00 0.00 56.10 57.40 2gag s TRP 66 Cb -0.12 -2.52 0.02 0.00 -1.15 0.00 0.00 33.47 29.69 2gag s TRP 66 CO 0.17 0.14 0.67 -0.59 0.02 0.00 0.00 176.95 177.37 2gag s PHE 67 N -1.90 -0.06 0.29 -1.98 -0.12 0.01 -4.18 117.98 110.05 2gag s PHE 67 Ca 0.52 -0.39 0.08 0.00 -0.05 0.00 0.00 56.93 57.09 2gag s PHE 67 Cb -0.11 0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 42.84 2gag s PHE 67 CO 0.18 -1.20 0.13 -0.80 -0.05 0.00 0.00 175.22 173.47 2gag s ASN 68 N -2.95 4.91 0.05 1.98 0.02 0.78 -1.49 114.94 118.23 2gag s ASN 68 Ca 0.14 -0.58 -0.17 0.00 -1.02 0.00 0.00 52.86 51.23 2gag s ASN 68 Cb -0.05 -0.95 0.03 0.00 0.02 0.00 0.00 41.25 40.30 2gag s ASN 68 CO 0.08 -0.15 0.38 0.00 0.02 0.00 0.00 177.10 177.43 2gag s ALA 69 N -2.31 -0.90 -0.23 0.60 0.00 0.36 -1.12 121.76 118.16 2gag s ALA 69 Ca 0.35 0.20 -0.05 0.00 0.00 0.00 0.00 51.96 52.46 2gag s ALA 69 Cb -0.05 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 2gag s ALA 69 CO 0.23 -0.45 -0.00 -0.51 0.00 0.00 0.00 175.76 175.03 2gag s LEU 70 N -2.04 3.13 -0.00 0.00 1.43 0.90 -0.83 118.68 121.26 2gag s LEU 70 Ca -0.05 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 2gag s LEU 70 Cb -0.01 -1.81 -0.00 0.00 0.03 0.00 0.00 46.19 44.40 2gag s LEU 70 CO -0.03 -0.01 -0.04 -0.60 0.23 0.00 0.00 176.35 175.90 2gag s ARG 71 N 1.43 0.36 -0.31 1.70 3.52 -0.59 0.74 118.95 125.80 2gag s ARG 71 Ca 0.05 -0.16 -0.29 0.00 -0.13 0.00 0.00 55.73 55.20 2gag s ARG 71 Cb -0.15 -0.35 0.02 0.00 -1.56 0.00 0.00 34.95 32.91 2gag s ARG 71 CO -0.00 0.09 1.09 0.34 -0.81 0.00 0.00 175.30 176.01 2gag s ASP 72 N -0.09 6.93 0.00 -2.12 -1.08 0.07 -0.50 116.67 119.88 2gag s ASP 72 Ca 0.02 1.09 0.21 0.00 -0.52 0.00 0.00 52.55 53.35 2gag s ASP 72 Cb -0.02 -2.54 1.11 0.00 -1.46 0.00 0.00 42.92 40.01 2gag s ASP 72 CO -0.00 -0.88 1.69 0.35 0.52 0.00 0.00 175.17 176.85 2gag n THR 73 N 5.85 0.29 -0.12 1.71 -2.24 0.57 0.41 114.28 120.76 2gag n THR 73 Ca 0.12 0.07 -0.26 0.00 -2.27 0.00 0.00 64.05 61.71 2gag n THR 73 Cb 0.47 -0.72 -0.10 0.00 -2.10 0.00 0.00 70.33 67.87 2gag n THR 73 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2gag n VAL 74 N -1.25 1.53 0.24 2.28 0.31 -1.26 -4.60 118.33 115.58 2gag n VAL 74 Ca 0.11 -0.23 0.12 0.00 -0.01 0.00 0.00 64.34 64.32 2gag n VAL 74 Cb 0.16 -1.96 0.04 0.00 -0.91 0.00 0.00 33.84 31.16 2gag n VAL 74 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2gag n THR 75 N -4.33 0.52 -1.01 2.52 -2.24 -1.21 -4.96 114.28 103.58 2gag n THR 75 Ca -0.45 -0.46 -0.00 0.00 -2.27 0.00 0.00 64.05 60.86 2gag n THR 75 Cb 0.80 -0.24 -0.00 0.00 -2.10 0.00 0.00 70.33 68.78 2gag n THR 75 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2gag n TYR 76 N -2.49 0.00 -2.47 4.78 4.02 0.17 -5.00 117.16 116.16 2gag n TYR 76 Ca 0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.49 2gag n TYR 76 Cb 0.52 -0.75 -0.04 0.00 -0.02 0.00 0.00 39.34 39.05 2gag n TYR 76 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2gag s GLU 77 N -0.80 4.55 0.04 -0.72 2.12 -1.23 -4.72 118.70 117.94 2gag s GLU 77 Ca 0.00 1.76 -0.28 0.00 0.36 0.00 0.00 54.97 56.81 2gag s GLU 77 Cb 0.00 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 31.06 2gag s GLU 77 CO 0.00 -0.01 0.88 -0.06 -0.54 0.00 0.00 175.26 175.52 2gag s PHE 78 N -0.01 3.73 -0.06 5.30 0.08 -1.26 -0.75 117.98 125.00 2gag s PHE 78 Ca 0.51 1.61 0.13 0.00 0.12 0.00 0.00 56.93 59.31 2gag s PHE 78 Cb -0.30 -2.97 -0.20 0.00 -0.57 0.00 0.00 43.02 38.98 2gag s PHE 78 CO 0.35 0.16 0.22 1.63 -0.10 0.00 0.00 175.22 177.48 2gag n LYS 79 N 3.17 0.92 -3.57 0.44 4.76 0.23 -4.97 118.16 119.13 2gag n LYS 79 Ca 0.01 -0.09 -0.12 0.00 -2.87 0.00 0.00 58.31 55.25 2gag n LYS 79 Cb 0.50 -1.34 -0.06 0.00 -1.84 0.00 0.00 35.03 32.30 2gag n LYS 79 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2gag s ALA 80 N -2.75 -1.90 -0.09 7.82 0.00 -1.07 -4.93 121.76 118.84 2gag s ALA 80 Ca -0.06 1.58 0.02 0.00 0.00 0.00 0.00 51.96 53.51 2gag s ALA 80 Cb 0.07 -0.67 0.01 0.00 0.00 0.00 0.00 23.12 22.54 2gag s ALA 80 CO 0.57 -0.31 -0.15 0.42 0.00 0.00 0.00 175.76 176.29 2gag s ILE 81 N -0.90 1.39 0.07 0.00 -1.09 -1.26 -0.07 121.20 119.34 2gag s ILE 81 Ca -0.03 -0.60 -0.07 0.00 -2.23 0.00 0.00 60.65 57.73 2gag s ILE 81 Cb -0.01 -1.26 -0.01 0.00 -1.58 0.00 0.00 42.46 39.59 2gag s ILE 81 CO 0.02 0.42 0.13 -0.72 -1.23 0.00 0.00 174.94 173.56 2gag s TYR 82 N 0.83 0.24 0.37 3.97 -0.85 -0.28 -4.99 117.35 116.64 2gag s TYR 82 Ca -0.11 -0.67 -0.25 0.00 -0.52 0.00 0.00 57.07 55.52 2gag s TYR 82 Cb -0.15 -0.15 -0.12 0.00 0.38 0.00 0.00 41.96 41.92 2gag s TYR 82 CO 0.01 -0.48 0.90 -2.30 -1.52 0.00 0.00 175.55 172.17 2gag n PRO 83 N 0.12 1.15 -0.28 -3.49 -0.02 -1.26 -0.15 135.00 131.06 2gag n PRO 83 Ca -0.15 0.41 0.09 0.00 -2.02 0.00 0.00 63.50 61.82 2gag n PRO 83 Cb 0.61 -1.83 0.21 0.00 -0.02 0.00 0.00 33.50 32.48 2gag n PRO 83 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gag h ALA 84 N 1.52 1.00 -0.57 3.55 0.00 -1.88 -1.37 119.26 121.51 2gag h ALA 84 Ca -0.41 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2gag h ALA 84 Cb 1.35 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2gag h ALA 84 CO 0.57 -0.44 0.00 0.41 0.00 0.00 0.00 179.25 179.79 2gag n GLY 85 N -1.41 2.32 3.92 0.00 0.00 -1.26 -4.83 105.19 103.93 2gag n GLY 85 Ca 0.17 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 2gag n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gag s ALA 86 N -1.77 3.64 0.68 4.61 0.00 -0.52 -5.08 121.76 123.32 2gag s ALA 86 Ca 0.44 -0.66 -0.11 0.00 0.00 0.00 0.00 51.96 51.63 2gag s ALA 86 Cb 0.28 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 21.15 2gag s ALA 86 CO 0.22 0.15 1.06 -1.25 0.00 0.00 0.00 175.76 175.93 2gag s PRO 87 N -3.81 3.03 0.12 0.00 0.04 -1.26 -4.93 135.00 128.20 2gag s PRO 87 Ca 0.43 0.87 -0.32 0.00 0.04 0.00 0.00 61.00 62.02 2gag s PRO 87 Cb -0.10 -2.01 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 2gag s PRO 87 CO 0.32 -1.01 1.82 -2.13 0.04 0.00 0.00 177.00 176.05 2gag n ARG 88 N -3.06 2.72 -1.95 4.56 0.63 -1.26 -4.91 116.66 113.39 2gag n ARG 88 Ca 0.07 0.99 -0.42 0.00 -0.92 0.00 0.00 57.85 57.57 2gag n ARG 88 Cb 0.54 -2.87 -0.03 0.00 0.45 0.00 0.00 32.46 30.55 2gag n ARG 88 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 2gag s PRO 89 N 2.58 4.23 0.00 -0.14 0.02 -1.26 -4.88 135.00 135.54 2gag s PRO 89 Ca 0.82 2.35 0.01 0.00 0.02 0.00 0.00 61.00 64.20 2gag s PRO 89 Cb -0.51 -3.14 0.06 0.00 0.02 0.00 0.00 34.50 30.94 2gag s PRO 89 CO 0.38 -0.55 0.53 -1.91 -0.33 0.00 0.00 177.00 175.11 2gag n GLU 90 N 3.43 0.47 0.00 5.54 4.07 -1.26 -5.14 120.64 127.74 2gag n GLU 90 Ca 0.12 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 2gag n GLU 90 Cb 0.39 -1.04 0.00 0.00 -0.06 0.00 0.00 31.44 30.73 2gag n GLU 90 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18