#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gf7 s TYR 4 N 0.00 0.64 0.37 2.03 1.51 -1.26 -5.01 117.35 115.63 3gf7 s TYR 4 Ca 0.00 -0.68 -0.25 0.00 -1.01 0.00 0.00 57.07 55.13 3gf7 s TYR 4 Cb 0.00 -0.39 -0.09 0.00 -0.11 0.00 0.00 41.96 41.37 3gf7 s TYR 4 CO 0.00 -0.16 1.05 -1.12 -1.11 0.00 0.00 175.55 174.21 3gf7 s SER 5 N -2.10 6.91 -1.19 2.29 0.01 -1.26 -4.40 113.70 113.96 3gf7 s SER 5 Ca -0.03 2.07 -0.32 0.00 1.31 0.00 0.00 55.95 58.97 3gf7 s SER 5 Cb -0.04 -2.59 0.04 0.00 0.21 0.00 0.00 66.02 63.64 3gf7 s SER 5 CO -0.02 -0.38 0.69 0.23 0.41 0.00 0.00 173.24 174.17 3gf7 n MET 6 N 0.24 -0.38 -0.12 12.44 2.81 -1.26 -4.72 117.12 126.12 3gf7 n MET 6 Ca 0.03 0.14 0.19 0.00 -1.81 0.00 0.00 57.70 56.26 3gf7 n MET 6 Cb 0.49 -2.68 0.60 0.00 -0.71 0.00 0.00 33.22 30.92 3gf7 n MET 6 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 3gf7 h PRO 7 N -2.49 0.21 -0.16 0.03 0.11 -1.91 -0.39 132.00 127.40 3gf7 h PRO 7 Ca -0.71 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.44 3gf7 h PRO 7 Cb 1.40 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.46 3gf7 h PRO 7 CO 0.51 0.14 0.15 0.78 -0.21 0.00 0.00 178.00 179.36 3gf7 h GLY 8 N 0.21 0.00 0.00 -0.55 0.00 -1.88 0.12 103.07 100.98 3gf7 h GLY 8 Ca 0.35 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.31 3gf7 h GLY 8 CO -0.07 0.00 -2.42 -1.72 0.00 0.00 0.00 176.54 172.33 3gf7 n TYR 9 N -4.04 0.00 0.59 5.60 4.02 -0.26 -4.75 117.16 118.32 3gf7 n TYR 9 Ca 0.01 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.96 3gf7 n TYR 9 Cb 0.27 -0.97 -0.07 0.00 -0.02 0.00 0.00 39.34 38.54 3gf7 n TYR 9 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3gf7 n PHE 10 N -3.12 0.00 -4.41 -0.72 0.99 -0.57 -4.83 117.46 104.81 3gf7 n PHE 10 Ca -0.42 0.00 -0.27 0.00 -0.00 0.00 0.00 57.45 56.77 3gf7 n PHE 10 Cb 1.02 -0.00 -0.11 0.00 -1.00 0.00 0.00 39.48 39.38 3gf7 n PHE 10 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3gf7 s GLN 11 N -2.22 1.62 -1.45 -1.08 -0.21 0.40 -4.68 119.66 112.04 3gf7 s GLN 11 Ca 0.05 -1.51 -0.09 0.00 0.02 0.00 0.00 55.36 53.83 3gf7 s GLN 11 Cb 0.10 -1.89 0.05 0.00 1.00 0.00 0.00 33.01 32.27 3gf7 s GLN 11 CO 0.53 0.40 0.87 0.09 -2.12 0.00 0.00 175.29 175.05 3gf7 n ASN 12 N 0.14 -3.45 -4.74 5.90 4.13 -1.26 -4.67 115.26 111.31 3gf7 n ASN 12 Ca -0.12 -0.80 -0.32 0.00 1.68 0.00 0.00 54.58 55.02 3gf7 n ASN 12 Cb 0.56 -3.91 0.10 0.00 -1.54 0.00 0.00 39.78 34.99 3gf7 n ASN 12 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 3gf7 s MET 13 N -6.41 2.08 0.13 3.52 -1.94 -1.26 -4.92 119.30 110.50 3gf7 s MET 13 Ca 0.42 1.45 -0.35 0.00 -1.71 0.00 0.00 55.69 55.51 3gf7 s MET 13 Cb -0.21 -1.86 -0.16 0.00 2.01 0.00 0.00 34.83 34.61 3gf7 s MET 13 CO 0.83 -1.82 1.29 -2.30 -0.01 0.00 0.00 175.02 173.00 3gf7 n PRO 14 N -3.23 1.26 -3.34 2.03 -0.02 -1.25 -4.65 135.00 125.81 3gf7 n PRO 14 Ca 0.11 0.45 -0.31 0.00 -2.02 0.00 0.00 63.50 61.73 3gf7 n PRO 14 Cb 0.52 -2.05 -0.05 0.00 -0.02 0.00 0.00 33.50 31.90 3gf7 n PRO 14 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3gf7 s THR 15 N 0.23 4.93 0.19 3.45 -4.23 -1.26 -1.21 115.64 117.73 3gf7 s THR 15 Ca 0.79 0.41 0.01 0.00 -1.18 0.00 0.00 61.69 61.71 3gf7 s THR 15 Cb -0.88 -3.65 -0.05 0.00 1.34 0.00 0.00 72.50 69.26 3gf7 s THR 15 CO 0.48 -0.17 0.05 0.27 -0.54 0.00 0.00 174.62 174.71 3gf7 s ILE 16 N -1.93 0.45 0.00 2.99 -4.36 -0.34 -4.95 121.20 113.06 3gf7 s ILE 16 Ca 0.47 -1.97 0.00 0.00 -0.26 0.00 0.00 60.65 58.89 3gf7 s ILE 16 Cb -0.11 -2.26 0.00 0.00 1.25 0.00 0.00 42.46 41.34 3gf7 s ILE 16 CO 0.24 -0.32 0.00 0.61 0.24 0.00 0.00 174.94 175.71 3gf7 n GLY 17 N -0.26 -0.16 3.45 6.27 0.00 -1.26 -4.78 105.19 108.44 3gf7 n GLY 17 Ca -0.04 -1.55 -0.27 0.00 0.00 0.00 0.00 46.02 44.16 3gf7 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gf7 s LYS 18 N -3.85 1.61 0.28 1.61 1.02 -1.26 -5.07 119.74 114.09 3gf7 s LYS 18 Ca 0.00 -1.51 -0.30 0.00 0.02 0.00 0.00 55.97 54.17 3gf7 s LYS 18 Cb 0.00 -1.88 -0.12 0.00 -0.52 0.00 0.00 37.83 35.30 3gf7 s LYS 18 CO 0.00 0.40 1.46 -1.91 -0.92 0.00 0.00 175.35 174.38 3gf7 n GLU 19 N 0.14 2.32 -2.15 1.68 2.13 -1.26 -4.87 120.64 118.63 3gf7 n GLU 19 Ca -0.11 0.82 -0.41 0.00 0.66 0.00 0.00 57.16 58.12 3gf7 n GLU 19 Cb 0.56 -2.52 -0.03 0.00 0.27 0.00 0.00 31.44 29.73 3gf7 n GLU 19 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3gf7 s LEU 20 N -0.40 3.40 0.00 4.31 2.96 -1.26 -4.83 118.68 122.86 3gf7 s LEU 20 Ca 0.64 0.62 -0.06 0.00 -0.22 0.00 0.00 54.13 55.11 3gf7 s LEU 20 Cb -0.57 -3.01 -0.29 0.00 0.50 0.00 0.00 46.19 42.82 3gf7 s LEU 20 CO 0.52 -1.95 0.85 -0.37 -1.32 0.00 0.00 176.35 174.08 3gf7 h VAL 21 N 6.70 1.14 -3.20 1.68 -1.51 -2.04 -3.42 116.25 115.60 3gf7 h VAL 21 Ca -0.28 -2.75 -0.63 0.00 -1.23 0.00 0.00 66.70 61.81 3gf7 h VAL 21 Cb 1.14 2.80 -0.41 0.00 -2.13 0.00 0.00 31.29 32.69 3gf7 h VAL 21 CO 1.15 0.83 -0.66 0.20 -1.23 0.00 0.00 177.57 177.86 3gf7 s ASN 22 N -7.10 4.14 0.56 4.19 -0.87 -1.26 -5.11 114.94 109.49 3gf7 s ASN 22 Ca -0.10 -3.06 -0.19 0.00 -1.57 0.00 0.00 52.86 47.94 3gf7 s ASN 22 Cb 0.06 -1.45 -0.05 0.00 -0.02 0.00 0.00 41.25 39.80 3gf7 s ASN 22 CO 0.86 -0.21 1.15 -2.84 -2.57 0.00 0.00 177.10 173.49 3gf7 s PRO 23 N -0.31 3.23 -0.45 -0.60 0.02 -1.26 -5.01 135.00 130.61 3gf7 s PRO 23 Ca 0.19 1.67 0.03 0.00 0.02 0.00 0.00 61.00 62.90 3gf7 s PRO 23 Cb -0.21 -1.98 0.13 0.00 0.02 0.00 0.00 34.50 32.46 3gf7 s PRO 23 CO -0.03 -0.96 0.22 1.21 -0.33 0.00 0.00 177.00 177.11 3gf7 s ASN 24 N -1.74 4.00 0.37 2.53 3.84 -1.26 -4.99 114.94 117.69 3gf7 s ASN 24 Ca 0.74 -2.68 0.07 0.00 0.21 0.00 0.00 52.86 51.20 3gf7 s ASN 24 Cb -0.26 -1.30 0.72 0.00 -0.55 0.00 0.00 41.25 39.87 3gf7 s ASN 24 CO 0.29 -0.27 1.91 -0.65 -2.79 0.00 0.00 177.10 175.59 3gf7 h PRO 25 N 6.79 0.37 -0.27 0.43 0.11 -1.96 -1.70 132.00 135.77 3gf7 h PRO 25 Ca -0.05 -0.08 -0.09 0.00 0.11 0.00 0.00 66.00 65.89 3gf7 h PRO 25 Cb 0.93 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 3gf7 h PRO 25 CO 0.56 0.44 -0.20 1.49 -0.21 0.00 0.00 178.00 180.09 3gf7 h GLU 26 N 0.36 0.61 -0.23 1.05 4.81 -1.95 0.79 114.58 120.03 3gf7 h GLU 26 Ca 0.08 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3gf7 h GLU 26 Cb 0.32 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 3gf7 h GLU 26 CO 0.01 0.88 0.12 -0.97 -0.73 0.00 0.00 179.01 178.33 3gf7 h ASN 27 N 0.35 0.29 -0.96 1.04 -0.73 -1.78 -1.43 115.58 112.36 3gf7 h ASN 27 Ca 0.05 -0.09 0.04 0.00 1.87 0.00 0.00 56.30 58.17 3gf7 h ASN 27 Cb 0.74 -0.07 -0.06 0.00 0.27 0.00 0.00 38.32 39.20 3gf7 h ASN 27 CO 0.05 0.29 0.62 -0.08 -0.37 0.00 0.00 177.43 177.95 3gf7 h GLU 28 N 0.26 1.16 -0.70 6.67 4.81 -0.99 -1.50 114.58 124.29 3gf7 h GLU 28 Ca 0.08 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3gf7 h GLU 28 Cb 0.07 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 3gf7 h GLU 28 CO -0.01 0.77 0.44 0.37 -0.73 0.00 0.00 179.01 179.84 3gf7 h GLN 29 N 1.20 0.95 -0.34 1.92 4.15 -0.51 -1.80 115.11 120.69 3gf7 h GLN 29 Ca 0.38 -0.08 -0.10 0.00 0.77 0.00 0.00 58.65 59.62 3gf7 h GLN 29 Cb 0.02 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 3gf7 h GLN 29 CO -0.13 0.66 -0.19 0.93 -1.93 0.00 0.00 178.83 178.17 3gf7 h GLU 30 N 0.96 0.72 -0.11 1.69 5.08 -0.61 -2.30 114.58 120.02 3gf7 h GLU 30 Ca 0.25 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3gf7 h GLU 30 Cb -0.05 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3gf7 h GLU 30 CO -0.05 0.94 0.03 0.82 -1.00 0.00 0.00 179.01 179.75 3gf7 h ILE 31 N 0.50 1.17 0.00 3.13 2.04 -1.23 -2.89 117.51 120.23 3gf7 h ILE 31 Ca 0.07 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 3gf7 h ILE 31 Cb 0.74 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 3gf7 h ILE 31 CO 0.06 0.15 -0.11 0.11 0.00 0.00 0.00 178.15 178.36 3gf7 h LYS 32 N -0.01 0.00 0.01 2.37 1.57 -1.31 -0.43 116.57 118.76 3gf7 h LYS 32 Ca 0.03 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.61 3gf7 h LYS 32 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3gf7 h LYS 32 CO -0.00 0.11 -0.90 0.00 -0.57 0.00 0.00 179.45 178.08 3gf7 h ALA 33 N 1.89 0.48 -0.07 3.86 0.00 -1.30 0.90 119.26 125.02 3gf7 h ALA 33 Ca -0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 3gf7 h ALA 33 Cb 0.32 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3gf7 h ALA 33 CO 0.01 0.92 0.02 0.28 0.00 0.00 0.00 179.25 180.48 3gf7 h VAL 34 N 0.12 1.18 -0.33 0.00 2.07 -1.13 -1.85 116.25 116.31 3gf7 h VAL 34 Ca -0.05 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 66.94 3gf7 h VAL 34 Cb 1.54 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 3gf7 h VAL 34 CO 0.14 0.15 0.20 -0.33 0.02 0.00 0.00 177.57 177.75 3gf7 h GLU 35 N -0.09 0.39 -0.26 1.57 5.08 -0.94 0.15 114.58 120.49 3gf7 h GLU 35 Ca 0.02 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3gf7 h GLU 35 Cb 0.22 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 3gf7 h GLU 35 CO -0.00 0.26 0.05 0.77 -1.00 0.00 0.00 179.01 179.09 3gf7 h SER 36 N 0.40 0.01 -0.59 1.42 0.02 0.79 0.04 113.55 115.65 3gf7 h SER 36 Ca 0.13 0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.19 3gf7 h SER 36 Cb -0.01 0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.53 3gf7 h SER 36 CO -0.05 0.04 0.27 -0.78 -1.14 0.00 0.00 176.83 175.17 3gf7 h ASP 37 N 0.15 0.35 0.29 3.07 3.58 -0.92 0.22 116.42 123.17 3gf7 h ASP 37 Ca 0.12 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.62 3gf7 h ASP 37 Cb 0.12 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 3gf7 h ASP 37 CO -0.16 0.22 -0.29 0.40 -2.88 0.00 0.00 179.24 176.54 3gf7 h ILE 38 N 0.50 0.40 -0.69 2.25 1.08 -0.54 0.33 117.51 120.84 3gf7 h ILE 38 Ca 0.28 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.83 3gf7 h ILE 38 Cb 0.26 0.40 -0.07 0.00 -3.07 0.00 0.00 36.82 34.34 3gf7 h ILE 38 CO -0.23 0.00 0.34 0.45 -0.69 0.00 0.00 178.15 178.03 3gf7 h HIS 39 N -0.61 0.62 -0.29 1.37 3.86 -0.61 -0.16 115.15 119.32 3gf7 h HIS 39 Ca -0.01 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 3gf7 h HIS 39 Cb 0.55 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 3gf7 h HIS 39 CO -0.18 0.23 0.15 0.93 0.86 0.00 0.00 177.93 179.93 3gf7 h GLU 40 N 0.60 0.42 -0.39 2.45 5.08 -0.37 0.26 114.58 122.62 3gf7 h GLU 40 Ca 0.33 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 3gf7 h GLU 40 Cb 0.33 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3gf7 h GLU 40 CO -0.25 0.38 0.23 0.77 -1.00 0.00 0.00 179.01 179.13 3gf7 h SER 41 N 0.35 0.48 0.05 1.42 0.02 -0.49 -0.52 113.55 114.87 3gf7 h SER 41 Ca 0.10 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3gf7 h SER 41 Cb 0.09 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 3gf7 h SER 41 CO -0.01 0.42 -0.07 0.40 -1.14 0.00 0.00 176.83 176.42 3gf7 h ILE 42 N 0.51 0.82 -0.47 3.27 2.04 -0.87 0.32 117.51 123.12 3gf7 h ILE 42 Ca 0.14 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.09 3gf7 h ILE 42 Cb 0.03 0.82 -0.10 0.00 -0.74 0.00 0.00 36.82 36.83 3gf7 h ILE 42 CO -0.02 0.00 -0.35 0.50 0.00 0.00 0.00 178.15 178.27 3gf7 h LYS 43 N -0.16 -0.22 -0.54 2.37 3.64 -0.76 0.19 116.57 121.09 3gf7 h LYS 43 Ca 0.01 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3gf7 h LYS 43 Cb 0.16 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 3gf7 h LYS 43 CO -0.04 -0.15 0.35 -0.22 -2.27 0.00 0.00 179.45 177.12 3gf7 h LYS 44 N -0.23 0.72 -0.62 1.90 3.64 -0.69 -1.66 116.57 119.63 3gf7 h LYS 44 Ca 0.19 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.42 3gf7 h LYS 44 Cb 0.55 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 3gf7 h LYS 44 CO -0.60 0.50 0.01 0.00 -2.27 0.00 0.00 179.45 177.08 3gf7 h ALA 45 N 1.18 0.83 0.00 5.00 0.00 0.28 0.57 119.26 127.12 3gf7 h ALA 45 Ca 0.20 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3gf7 h ALA 45 Cb -0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3gf7 h ALA 45 CO -0.04 0.67 -0.22 -0.07 0.00 0.00 0.00 179.25 179.59 3gf7 h LEU 46 N 0.99 0.00 0.00 0.00 3.38 -0.42 -3.07 115.31 116.19 3gf7 h LEU 46 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3gf7 h LEU 46 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3gf7 h LEU 46 CO 0.03 0.22 -1.23 0.47 0.09 0.00 0.00 178.44 178.03 3gf7 n ASP 47 N -3.98 0.61 -4.71 -0.43 8.00 -0.64 -4.95 116.55 110.44 3gf7 n ASP 47 Ca -0.02 0.15 -0.33 0.00 0.71 0.00 0.00 54.79 55.31 3gf7 n ASP 47 Cb 0.30 0.86 0.12 0.00 -0.02 0.00 0.00 41.12 42.38 3gf7 n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gf7 s ALA 48 N -3.36 1.89 0.00 2.24 0.00 0.15 -4.91 121.76 117.76 3gf7 s ALA 48 Ca -0.01 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.64 3gf7 s ALA 48 Cb 0.12 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3gf7 s ALA 48 CO 0.82 -2.20 0.00 0.41 0.00 0.00 0.00 175.76 174.78 3gf7 n GLY 49 N 0.13 0.86 0.04 0.00 0.00 -1.26 -4.68 105.19 100.27 3gf7 n GLY 49 Ca 0.12 -1.98 0.08 0.00 0.00 0.00 0.00 46.02 44.24 3gf7 n GLY 49 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3gf7 n ILE 50 N 7.15 0.00 -4.03 -0.61 -5.35 0.47 -4.97 119.36 112.04 3gf7 n ILE 50 Ca 0.00 -0.13 -0.10 0.00 -0.27 0.00 0.00 62.75 62.25 3gf7 n ILE 50 Cb 0.00 1.02 -0.11 0.00 -1.74 0.00 0.00 39.64 38.81 3gf7 n ILE 50 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3gf7 s THR 51 N -2.49 0.27 0.31 7.28 2.01 -0.96 -5.06 115.64 117.00 3gf7 s THR 51 Ca 0.07 -1.12 0.06 0.00 0.31 0.00 0.00 61.69 61.01 3gf7 s THR 51 Cb 0.12 -0.58 -0.01 0.00 0.01 0.00 0.00 72.50 72.04 3gf7 s THR 51 CO 0.65 -0.55 0.44 -0.94 -0.69 0.00 0.00 174.62 173.53 3gf7 s SER 52 N -1.75 6.04 0.21 3.53 1.04 -1.26 -4.68 113.70 116.82 3gf7 s SER 52 Ca -0.10 -0.13 -0.10 0.00 0.48 0.00 0.00 55.95 56.09 3gf7 s SER 52 Cb -0.07 -1.37 0.29 0.00 0.10 0.00 0.00 66.02 64.97 3gf7 s SER 52 CO -0.02 -0.35 1.69 -0.08 0.98 0.00 0.00 173.24 175.46 3gf7 h GLU 53 N 0.96 0.19 -0.18 4.02 4.81 -1.96 -1.41 114.58 121.01 3gf7 h GLU 53 Ca -0.47 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.78 3gf7 h GLU 53 Cb 1.25 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 3gf7 h GLU 53 CO 0.55 0.12 -0.06 1.49 -0.73 0.00 0.00 179.01 180.38 3gf7 h GLU 54 N 0.19 -0.02 -0.65 1.92 4.81 -1.96 -0.66 114.58 118.22 3gf7 h GLU 54 Ca 0.32 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.49 3gf7 h GLU 54 Cb 0.49 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 3gf7 h GLU 54 CO -0.45 -0.01 0.18 0.87 -0.73 0.00 0.00 179.01 178.86 3gf7 h LYS 55 N -0.02 1.02 -0.27 1.92 1.57 -1.89 -2.31 116.57 116.59 3gf7 h LYS 55 Ca 0.09 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3gf7 h LYS 55 Cb 0.15 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3gf7 h LYS 55 CO -0.19 0.91 0.15 -0.07 -0.57 0.00 0.00 179.45 179.68 3gf7 h LEU 56 N 0.95 0.34 -0.42 2.94 3.38 -1.03 -2.63 115.31 118.84 3gf7 h LEU 56 Ca 0.21 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.14 3gf7 h LEU 56 Cb 0.33 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3gf7 h LEU 56 CO -0.00 0.32 0.18 0.78 0.09 0.00 0.00 178.44 179.81 3gf7 h ASN 57 N 0.33 0.23 -0.80 -0.43 2.35 -0.43 0.16 115.58 117.00 3gf7 h ASN 57 Ca 0.10 0.03 0.06 0.00 -0.55 0.00 0.00 56.30 55.94 3gf7 h ASN 57 Cb 0.06 -0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.37 3gf7 h ASN 57 CO -0.02 0.17 0.48 -0.33 -1.65 0.00 0.00 177.43 176.09 3gf7 h GLU 58 N 0.37 0.86 0.00 0.81 5.08 -1.40 -1.00 114.58 119.30 3gf7 h GLU 58 Ca 0.19 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3gf7 h GLU 58 Cb 0.14 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3gf7 h GLU 58 CO -0.16 0.57 0.00 0.54 -1.00 0.00 0.00 179.01 178.95 3gf7 n ARG 59 N -4.67 0.09 0.00 2.33 1.74 -0.67 -4.87 116.66 110.61 3gf7 n ARG 59 Ca 0.11 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 3gf7 n ARG 59 Cb 0.17 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 3gf7 n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gf7 n GLY 60 N 0.52 1.23 3.29 -0.13 0.00 -0.38 -5.08 105.19 104.64 3gf7 n GLY 60 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3gf7 n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gf7 s GLN 61 N -0.42 2.87 0.53 1.61 -0.21 0.46 -4.61 119.66 119.88 3gf7 s GLN 61 Ca 0.00 -0.83 -0.13 0.00 0.02 0.00 0.00 55.36 54.42 3gf7 s GLN 61 Cb 0.00 -2.32 -0.06 0.00 1.00 0.00 0.00 33.01 31.63 3gf7 s GLN 61 CO 0.00 0.31 0.95 -0.51 -2.12 0.00 0.00 175.29 173.92 3gf7 s LEU 62 N 0.04 3.52 0.83 2.90 1.43 -1.26 -1.93 118.68 124.21 3gf7 s LEU 62 Ca -0.08 1.39 -0.12 0.00 -1.03 0.00 0.00 54.13 54.28 3gf7 s LEU 62 Cb -0.15 -4.36 0.09 0.00 0.03 0.00 0.00 46.19 41.80 3gf7 s LEU 62 CO 0.05 -0.65 1.16 -0.94 0.23 0.00 0.00 176.35 176.20 3gf7 s SER 63 N -3.57 4.32 0.17 2.29 1.04 -1.26 -4.85 113.70 111.84 3gf7 s SER 63 Ca 0.55 0.85 -0.16 0.00 0.48 0.00 0.00 55.95 57.67 3gf7 s SER 63 Cb -0.10 -1.38 0.10 0.00 0.10 0.00 0.00 66.02 64.74 3gf7 s SER 63 CO 0.40 -2.03 1.68 0.00 0.98 0.00 0.00 173.24 174.27 3gf7 h ALA 64 N -1.14 0.31 -0.16 5.32 0.00 -1.94 -0.93 119.26 120.73 3gf7 h ALA 64 Ca -0.47 0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 3gf7 h ALA 64 Cb 1.33 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 3gf7 h ALA 64 CO 0.65 -0.43 -0.44 0.52 0.00 0.00 0.00 179.25 179.55 3gf7 h MET 65 N 0.05 0.38 -0.56 0.00 2.86 -1.93 0.54 114.93 116.26 3gf7 h MET 65 Ca 0.19 -0.20 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 3gf7 h MET 65 Cb 0.29 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 3gf7 h MET 65 CO -0.37 0.75 -0.06 1.96 1.06 0.00 0.00 176.91 180.25 3gf7 h GLN 66 N 0.31 1.03 -0.26 1.72 4.20 -1.86 0.18 115.11 120.43 3gf7 h GLN 66 Ca 0.02 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.36 3gf7 h GLN 66 Cb 0.90 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 3gf7 h GLN 66 CO 0.08 1.04 0.09 0.00 -0.67 0.00 0.00 178.83 179.37 3gf7 h ARG 67 N 0.91 0.39 0.48 1.46 3.08 -0.83 -0.23 114.38 119.63 3gf7 h ARG 67 Ca 0.15 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3gf7 h ARG 67 Cb 0.62 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3gf7 h ARG 67 CO 0.04 0.44 -0.23 0.82 -1.07 0.00 0.00 179.97 179.97 3gf7 h ILE 68 N 0.26 0.53 -0.28 2.04 2.04 -0.76 -1.48 117.51 119.86 3gf7 h ILE 68 Ca 0.08 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.94 3gf7 h ILE 68 Cb 0.20 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3gf7 h ILE 68 CO -0.01 0.01 0.19 0.78 0.00 0.00 0.00 178.15 179.12 3gf7 h ASN 69 N -0.66 0.22 0.20 1.72 2.35 -0.64 0.25 115.58 119.03 3gf7 h ASN 69 Ca -0.07 -0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.57 3gf7 h ASN 69 Cb 0.50 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 3gf7 h ASN 69 CO 0.11 0.15 -0.41 0.00 -1.65 0.00 0.00 177.43 175.64 3gf7 h ALA 70 N 1.84 1.09 0.18 -0.83 0.00 -0.80 -3.32 119.26 117.43 3gf7 h ALA 70 Ca 0.12 -0.41 -0.27 0.00 0.00 0.00 0.00 54.91 54.35 3gf7 h ALA 70 Cb 0.14 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 17.87 3gf7 h ALA 70 CO -0.02 0.59 -1.16 1.25 0.00 0.00 0.00 179.25 179.91 3gf7 h LEU 71 N 0.23 0.70-10.14 0.00 5.85 0.08 -3.48 115.31 108.54 3gf7 h LEU 71 Ca 0.02 -0.91 -0.51 0.00 0.84 0.00 0.00 57.88 57.32 3gf7 h LEU 71 Cb 0.82 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3gf7 h LEU 71 CO 0.06 1.56 -0.23 0.27 -0.34 0.00 0.00 178.44 179.76 3gf7 s ILE 72 N -2.61 5.12 0.32 4.05 -4.36 -0.45 -4.73 121.20 118.52 3gf7 s ILE 72 Ca -0.11 -0.29 -0.29 0.00 -0.26 0.00 0.00 60.65 59.70 3gf7 s ILE 72 Cb 0.03 -3.78 -0.11 0.00 1.25 0.00 0.00 42.46 39.85 3gf7 s ILE 72 CO 0.90 -0.36 1.49 -1.81 0.24 0.00 0.00 174.94 175.40 3gf7 s ASP 73 N -3.49 6.47 0.32 4.36 1.01 0.23 -4.91 116.67 120.65 3gf7 s ASP 73 Ca 0.40 2.89 -0.29 0.00 0.71 0.00 0.00 52.55 56.27 3gf7 s ASP 73 Cb -0.10 -2.64 -0.12 0.00 1.01 0.00 0.00 42.92 41.06 3gf7 s ASP 73 CO 0.32 -0.81 1.40 -2.65 0.21 0.00 0.00 175.17 173.63 3gf7 n PRO 74 N 1.49 2.31 -1.02 8.23 -0.02 -1.26 -2.71 135.00 142.02 3gf7 n PRO 74 Ca 0.05 0.81 -0.01 0.00 -2.02 0.00 0.00 63.50 62.33 3gf7 n PRO 74 Cb 0.39 -2.47 -0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3gf7 n PRO 74 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gf7 n GLY 75 N 1.20 0.49 0.31 -1.23 0.00 -1.26 -4.90 105.19 99.79 3gf7 n GLY 75 Ca 0.06 -0.35 0.05 0.00 0.00 0.00 0.00 46.02 45.78 3gf7 n GLY 75 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gf7 n THR 76 N -2.91 0.00 -1.99 2.61 -2.24 -1.10 -4.98 114.28 103.67 3gf7 n THR 76 Ca -0.01 -0.44 -0.42 0.00 -2.27 0.00 0.00 64.05 60.91 3gf7 n THR 76 Cb 0.06 1.16 -0.03 0.00 -2.10 0.00 0.00 70.33 69.42 3gf7 n THR 76 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3gf7 s TRP 77 N -1.19 1.92 -0.56 4.78 -0.00 -1.26 -4.30 118.94 118.33 3gf7 s TRP 77 Ca 0.10 0.27 0.04 0.00 -0.00 0.00 0.00 56.10 56.51 3gf7 s TRP 77 Cb 0.08 -3.96 0.14 0.00 -0.00 0.00 0.00 33.47 29.74 3gf7 s TRP 77 CO 0.21 -3.71 0.31 0.00 -0.00 0.00 0.00 176.95 173.76 3gf7 s PRO 79 N -0.52 3.38 0.09 0.00 0.04 -1.26 -1.11 135.00 135.61 3gf7 s PRO 79 Ca 0.19 1.96 0.05 0.00 0.04 0.00 0.00 61.00 63.24 3gf7 s PRO 79 Cb -0.22 -2.26 -0.03 0.00 0.04 0.00 0.00 34.50 32.03 3gf7 s PRO 79 CO -0.03 -0.91 -0.14 -0.51 0.04 0.00 0.00 177.00 175.44 3gf7 s LEU 80 N -3.41 2.32 -2.07 -3.56 1.43 0.06 -4.81 118.68 108.63 3gf7 s LEU 80 Ca 0.69 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 3gf7 s LEU 80 Cb -0.33 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.36 3gf7 s LEU 80 CO 0.39 -0.10 0.00 0.59 0.23 0.00 0.00 176.35 177.46 3gf7 n ASN 81 N 1.05 -5.60 -0.27 2.29 4.13 0.39 -4.22 115.26 113.04 3gf7 n ASN 81 Ca -0.19 0.35 0.08 0.00 1.68 0.00 0.00 54.58 56.49 3gf7 n ASN 81 Cb 0.55 -4.85 0.22 0.00 -1.54 0.00 0.00 39.78 34.15 3gf7 n ASN 81 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3gf7 h SER 82 N 0.00 0.06 -0.34 6.41 0.02 -1.87 -1.52 113.55 116.30 3gf7 h SER 82 Ca -0.45 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3gf7 h SER 82 Cb 1.36 0.20 0.00 0.00 0.14 0.00 0.00 62.40 64.10 3gf7 h SER 82 CO 0.61 -0.05 0.00 0.18 -1.14 0.00 0.00 176.83 176.43 3gf7 n LEU 83 N -5.15 3.40 -4.66 5.07 4.77 -1.26 -4.89 117.00 114.28 3gf7 n LEU 83 Ca 0.16 -2.38 -0.42 0.00 -0.03 0.00 0.00 56.01 53.34 3gf7 n LEU 83 Cb 0.52 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3gf7 n LEU 83 CO 0.11 0.72 1.60 0.12 -1.33 0.00 0.00 177.39 178.61 3gf7 s PHE 84 N -1.69 1.32 -0.46 -1.77 5.36 -0.57 -3.84 117.98 116.33 3gf7 s PHE 84 Ca 0.32 -0.45 0.06 0.00 -0.96 0.00 0.00 56.93 55.89 3gf7 s PHE 84 Cb 0.21 -4.25 0.29 0.00 -0.34 0.00 0.00 43.02 38.93 3gf7 s PHE 84 CO 0.14 -5.58 1.05 -1.71 -1.46 0.00 0.00 175.22 167.66 3gf7 n ASN 85 N 7.43 -2.46 0.20 6.13 5.15 0.88 -3.63 115.26 128.95 3gf7 n ASN 85 Ca 0.20 -3.36 0.04 0.00 -0.60 0.00 0.00 54.58 50.86 3gf7 n ASN 85 Cb 0.41 1.80 0.40 0.00 -0.53 0.00 0.00 39.78 41.86 3gf7 n ASN 85 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3gf7 h PRO 86 N 3.36 0.00 -0.33 1.20 0.13 -1.81 -2.53 132.00 132.03 3gf7 h PRO 86 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3gf7 h PRO 86 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3gf7 h PRO 86 CO 0.19 0.33 0.00 0.39 -0.23 0.00 0.00 178.00 178.68 3gf7 n GLU 87 N -4.05 1.90 -3.51 0.86 -0.58 -1.26 -4.95 120.64 109.05 3gf7 n GLU 87 Ca -0.02 -1.38 -0.21 0.00 -0.42 0.00 0.00 57.16 55.14 3gf7 n GLU 87 Cb 0.38 -1.35 0.08 0.00 -0.57 0.00 0.00 31.44 29.99 3gf7 n GLU 87 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3gf7 n ASN 88 N 0.61 -4.54 -4.74 1.62 3.02 -0.95 -4.95 115.26 105.32 3gf7 n ASN 88 Ca 0.15 -0.56 -0.42 0.00 -0.03 0.00 0.00 54.58 53.71 3gf7 n ASN 88 Cb 0.35 -5.00 -0.01 0.00 -0.61 0.00 0.00 39.78 34.51 3gf7 n ASN 88 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3gf7 n ASN 89 N -3.01 3.41 -0.06 6.41 3.02 -1.26 -4.89 115.26 118.89 3gf7 n ASN 89 Ca -0.11 1.20 0.03 0.00 -0.03 0.00 0.00 54.58 55.66 3gf7 n ASN 89 Cb 0.60 -1.56 0.38 0.00 -0.61 0.00 0.00 39.78 38.59 3gf7 n ASN 89 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 3gf7 h LYS 90 N 3.33 0.66 0.00 3.52 -0.00 -1.92 -0.42 116.57 121.74 3gf7 h LYS 90 Ca -0.48 -0.04 0.00 0.00 -0.00 0.00 0.00 60.65 60.13 3gf7 h LYS 90 Cb 1.25 -0.15 0.00 0.00 -0.00 0.00 0.00 32.23 33.33 3gf7 h LYS 90 CO 0.68 0.44 0.00 1.19 -0.00 0.00 0.00 179.45 181.76 3gf7 n PHE 91 N -4.46 0.00 -0.87 0.07 3.72 -1.26 -4.90 117.46 109.76 3gf7 n PHE 91 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 3gf7 n PHE 91 Cb 0.05 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.15 3gf7 n PHE 91 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gf7 n GLY 92 N 0.72 0.55 3.30 1.37 0.00 -0.17 -4.65 105.19 106.31 3gf7 n GLY 92 Ca 0.07 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 3gf7 n GLY 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gf7 s THR 93 N -2.00 0.10 -0.91 2.61 -4.23 -1.26 -4.62 115.64 105.33 3gf7 s THR 93 Ca 0.00 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.68 3gf7 s THR 93 Cb 0.00 -2.49 0.74 0.00 1.34 0.00 0.00 72.50 72.09 3gf7 s THR 93 CO 0.00 0.00 1.65 0.35 -0.54 0.00 0.00 174.62 176.08 3gf7 n THR 94 N -0.58 2.05 -1.01 3.99 -2.24 -1.24 -4.72 114.28 110.52 3gf7 n THR 94 Ca 0.04 -1.27 -0.00 0.00 -2.27 0.00 0.00 64.05 60.55 3gf7 n THR 94 Cb 0.64 0.03 -0.00 0.00 -2.10 0.00 0.00 70.33 68.90 3gf7 n THR 94 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3gf7 n ASN 95 N 0.97 -4.92 -4.32 3.42 4.13 -1.26 -4.50 115.26 108.77 3gf7 n ASN 95 Ca 0.26 0.01 -0.21 0.00 1.68 0.00 0.00 54.58 56.32 3gf7 n ASN 95 Cb 0.96 -2.46 -0.11 0.00 -1.54 0.00 0.00 39.78 36.63 3gf7 n ASN 95 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3gf7 s ILE 96 N -1.39 1.76 -0.12 2.41 -4.36 -1.26 0.02 121.20 118.25 3gf7 s ILE 96 Ca 0.00 -1.93 0.02 0.00 -0.26 0.00 0.00 60.65 58.48 3gf7 s ILE 96 Cb 0.00 -1.84 -0.00 0.00 1.25 0.00 0.00 42.46 41.87 3gf7 s ILE 96 CO 0.00 -0.36 -0.20 -0.69 0.24 0.00 0.00 174.94 173.93 3gf7 s VAL 97 N -2.17 2.33 0.06 8.37 1.01 0.12 -4.85 120.40 125.27 3gf7 s VAL 97 Ca 0.16 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 3gf7 s VAL 97 Cb -0.05 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 3gf7 s VAL 97 CO 0.06 0.55 -0.04 0.54 0.00 0.00 0.00 175.10 176.21 3gf7 s ASN 98 N 0.49 0.65 0.00 3.32 4.22 -1.26 -0.15 114.94 122.21 3gf7 s ASN 98 Ca -0.14 -0.93 0.00 0.00 -2.14 0.00 0.00 52.86 49.66 3gf7 s ASN 98 Cb -0.17 0.15 0.00 0.00 1.28 0.00 0.00 41.25 42.52 3gf7 s ASN 98 CO 0.05 -0.51 0.00 0.61 -2.04 0.00 0.00 177.10 175.21 3gf7 n GLY 99 N 0.30 -1.34 3.82 0.45 0.00 -0.88 -0.76 105.19 106.77 3gf7 n GLY 99 Ca -0.15 -1.23 -0.37 0.00 0.00 0.00 0.00 46.02 44.27 3gf7 n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gf7 s LEU 100 N 0.00 4.40 0.04 0.99 1.43 -0.27 -0.84 118.68 124.42 3gf7 s LEU 100 Ca 0.00 0.75 -0.02 0.00 -1.03 0.00 0.00 54.13 53.83 3gf7 s LEU 100 Cb 0.00 -2.43 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 3gf7 s LEU 100 CO 0.00 0.28 0.01 -0.83 0.23 0.00 0.00 176.35 176.03 3gf7 s GLY 101 N -0.65 0.31 -0.13 -3.19 0.00 -0.84 -0.41 107.32 102.42 3gf7 s GLY 101 Ca 0.20 -0.83 -0.02 0.00 0.00 0.00 0.00 44.72 44.06 3gf7 s GLY 101 CO 0.09 -0.94 -0.04 -1.60 0.00 0.00 0.00 173.10 170.61 3gf7 s ARG 102 N -2.79 3.38 -0.20 2.90 3.52 -1.26 -0.45 118.95 124.05 3gf7 s ARG 102 Ca -0.03 -0.51 0.01 0.00 -0.13 0.00 0.00 55.73 55.06 3gf7 s ARG 102 Cb -0.00 -2.83 0.05 0.00 -1.56 0.00 0.00 34.95 30.60 3gf7 s ARG 102 CO -0.06 0.40 -0.09 0.08 -0.81 0.00 0.00 175.30 174.82 3gf7 s VAL 103 N -0.07 1.58 -1.61 7.11 1.01 0.83 0.74 120.40 129.99 3gf7 s VAL 103 Ca 0.02 -1.01 -0.10 0.00 0.00 0.00 0.00 61.98 60.89 3gf7 s VAL 103 Cb -0.13 -1.70 0.10 0.00 0.00 0.00 0.00 36.38 34.65 3gf7 s VAL 103 CO 0.03 0.13 0.25 -0.67 0.00 0.00 0.00 175.10 174.83 3gf7 n ASP 104 N 4.70 -0.24 0.00 3.32 2.03 -1.26 -0.93 116.55 124.17 3gf7 n ASP 104 Ca -0.14 -1.20 0.00 0.00 0.52 0.00 0.00 54.79 53.96 3gf7 n ASP 104 Cb 0.46 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.35 3gf7 n ASP 104 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gf7 n GLY 105 N -1.87 2.27 3.61 0.27 0.00 -1.26 -5.03 105.19 103.17 3gf7 n GLY 105 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 3gf7 n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gf7 s LYS 106 N -0.74 4.01 0.25 1.61 1.02 -0.11 -5.05 119.74 120.74 3gf7 s LYS 106 Ca 0.00 0.07 -0.30 0.00 0.02 0.00 0.00 55.97 55.77 3gf7 s LYS 106 Cb 0.00 -3.66 -0.09 0.00 -0.52 0.00 0.00 37.83 33.56 3gf7 s LYS 106 CO 0.00 -0.30 1.22 -1.58 -0.92 0.00 0.00 175.35 173.78 3gf7 s TRP 107 N 2.11 3.33 0.06 3.18 0.52 -1.26 -0.12 118.94 126.76 3gf7 s TRP 107 Ca 0.16 1.45 0.01 0.00 0.02 0.00 0.00 56.10 57.74 3gf7 s TRP 107 Cb -0.16 -3.49 -0.03 0.00 -1.15 0.00 0.00 33.47 28.63 3gf7 s TRP 107 CO 0.10 -1.35 -0.05 0.14 0.02 0.00 0.00 176.95 175.81 3gf7 s VAL 108 N -0.63 0.42 -0.14 4.03 -7.23 0.41 -4.58 120.40 112.68 3gf7 s VAL 108 Ca 0.50 -1.57 -0.16 0.00 -1.81 0.00 0.00 61.98 58.95 3gf7 s VAL 108 Cb -0.35 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.35 3gf7 s VAL 108 CO 0.43 -0.76 0.37 -0.47 -0.31 0.00 0.00 175.10 174.36 3gf7 s TYR 109 N -2.94 3.49 -0.08 2.82 5.04 0.44 -1.98 117.35 124.13 3gf7 s TYR 109 Ca 0.02 0.73 0.03 0.00 -2.44 0.00 0.00 57.07 55.40 3gf7 s TYR 109 Cb 0.01 -2.43 -0.02 0.00 0.35 0.00 0.00 41.96 39.87 3gf7 s TYR 109 CO -0.05 0.21 -0.16 0.42 -1.34 0.00 0.00 175.55 174.63 3gf7 s ILE 110 N 0.52 2.86 -0.12 3.14 1.01 -0.02 0.64 121.20 129.23 3gf7 s ILE 110 Ca 0.21 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 60.09 3gf7 s ILE 110 Cb -0.14 -2.13 0.02 0.00 0.01 0.00 0.00 42.46 40.22 3gf7 s ILE 110 CO 0.07 0.56 -0.11 -0.69 0.00 0.00 0.00 174.94 174.77 3gf7 s VAL 111 N -0.24 1.23 -0.14 2.92 1.01 0.11 -2.08 120.40 123.20 3gf7 s VAL 111 Ca 0.01 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.56 3gf7 s VAL 111 Cb -0.13 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.08 3gf7 s VAL 111 CO 0.03 0.40 -0.16 0.00 0.00 0.00 0.00 175.10 175.36 3gf7 s ALA 112 N 1.46 1.95 0.26 5.51 0.00 0.79 0.39 121.76 132.12 3gf7 s ALA 112 Ca 0.02 -0.94 -0.31 0.00 0.00 0.00 0.00 51.96 50.72 3gf7 s ALA 112 Cb -0.13 -1.02 -0.12 0.00 0.00 0.00 0.00 23.12 21.84 3gf7 s ALA 112 CO -0.07 -0.27 1.52 0.43 0.00 0.00 0.00 175.76 177.38 3gf7 n SER 113 N 4.54 3.38 -4.46 0.00 7.64 -0.47 0.16 113.62 124.41 3gf7 n SER 113 Ca -0.18 1.14 -0.43 0.00 1.01 0.00 0.00 58.87 60.40 3gf7 n SER 113 Cb 0.50 -1.52 -0.04 0.00 -1.01 0.00 0.00 64.21 62.15 3gf7 n SER 113 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3gf7 s ASP 114 N 0.45 6.27 0.00 6.43 -1.08 0.10 -4.38 116.67 124.46 3gf7 s ASP 114 Ca 0.67 -1.22 0.12 0.00 -0.52 0.00 0.00 52.55 51.60 3gf7 s ASP 114 Cb -0.57 -2.42 0.70 0.00 -1.46 0.00 0.00 42.92 39.17 3gf7 s ASP 114 CO 0.48 -1.37 1.36 -0.46 0.52 0.00 0.00 175.17 175.70 3gf7 n ASN 115 N 7.53 0.00 0.19 -0.34 6.94 -1.26 -2.11 115.26 126.21 3gf7 n ASN 115 Ca 0.03 -1.40 0.10 0.00 -0.02 0.00 0.00 54.58 53.29 3gf7 n ASN 115 Cb 0.46 0.00 0.12 0.00 -2.36 0.00 0.00 39.78 38.00 3gf7 n ASN 115 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 3gf7 h LYS 116 N 0.00 0.00 -4.09 -3.83 1.57 -1.90 -3.36 116.57 104.96 3gf7 h LYS 116 Ca 0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 3gf7 h LYS 116 Cb 0.00 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 31.93 3gf7 h LYS 116 CO 0.00 0.08 -0.57 0.15 -0.57 0.00 0.00 179.45 178.53 3gf7 s LYS 117 N -3.19 1.98 -1.51 3.15 1.02 -0.94 -0.39 119.74 119.86 3gf7 s LYS 117 Ca 0.05 -2.18 -0.01 0.00 0.02 0.00 0.00 55.97 53.86 3gf7 s LYS 117 Cb 0.06 -3.46 0.01 0.00 -0.52 0.00 0.00 37.83 33.92 3gf7 s LYS 117 CO 0.70 -1.07 0.18 -1.33 -0.92 0.00 0.00 175.35 172.91 3gf7 n MET 118 N 3.92 -1.83 -4.12 1.68 2.81 -1.26 -1.55 117.12 116.78 3gf7 n MET 118 Ca 0.03 0.21 -0.44 0.00 -1.81 0.00 0.00 57.70 55.69 3gf7 n MET 118 Cb 0.39 -3.98 -0.00 0.00 -0.71 0.00 0.00 33.22 28.92 3gf7 n MET 118 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3gf7 n ALA 119 N -4.51 -2.50 -3.30 3.04 0.00 -1.26 -1.87 120.51 110.12 3gf7 n ALA 119 Ca -0.31 -0.56 -0.24 0.00 0.00 0.00 0.00 53.44 52.34 3gf7 n ALA 119 Cb 0.69 -2.31 0.04 0.00 0.00 0.00 0.00 19.45 17.86 3gf7 n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gf7 n GLY 120 N -2.18 -0.52 3.73 0.00 0.00 -0.59 -1.38 105.19 104.25 3gf7 n GLY 120 Ca -0.15 0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3gf7 n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gf7 s ALA 121 N -3.19 2.09 0.18 4.61 0.00 -0.78 -3.86 121.76 120.80 3gf7 s ALA 121 Ca 0.42 0.65 -0.32 0.00 0.00 0.00 0.00 51.96 52.71 3gf7 s ALA 121 Cb -0.20 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 19.40 3gf7 s ALA 121 CO 0.52 -1.90 1.75 0.91 0.00 0.00 0.00 175.76 177.03 3gf7 n TRP 122 N -3.08 2.67 -4.23 0.00 7.02 0.68 -4.83 117.44 115.67 3gf7 n TRP 122 Ca 0.12 0.01 -0.15 0.00 -1.02 0.00 0.00 57.50 56.45 3gf7 n TRP 122 Cb 0.51 -2.68 -0.10 0.00 -2.42 0.00 0.00 31.31 26.62 3gf7 n TRP 122 CO 0.00 0.00 0.00 0.14 -2.02 0.00 0.00 177.69 175.81 3gf7 s VAL 123 N 1.62 1.16 0.23 -0.99 -7.23 -1.26 -4.21 120.40 109.72 3gf7 s VAL 123 Ca 0.78 -1.89 -0.31 0.00 -1.81 0.00 0.00 61.98 58.74 3gf7 s VAL 123 Cb -0.52 -1.67 -0.14 0.00 0.56 0.00 0.00 36.38 34.61 3gf7 s VAL 123 CO 0.34 -0.63 1.28 -2.65 -0.31 0.00 0.00 175.10 173.13 3gf7 n PRO 124 N 0.13 1.70 0.00 4.82 -0.02 -1.26 -1.58 135.00 138.78 3gf7 n PRO 124 Ca -0.13 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3gf7 n PRO 124 Cb 0.59 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 3gf7 n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gf7 n GLY 125 N 1.93 2.48 0.21 -1.23 0.00 -1.26 -4.66 105.19 102.66 3gf7 n GLY 125 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 3gf7 n GLY 125 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3gf7 h GLN 126 N 2.82 0.70 -0.51 1.61 4.15 -1.52 -1.77 115.11 120.59 3gf7 h GLN 126 Ca 0.00 -0.38 0.03 0.00 0.77 0.00 0.00 58.65 59.07 3gf7 h GLN 126 Cb 0.00 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.67 3gf7 h GLN 126 CO 0.00 1.00 0.28 0.00 -1.93 0.00 0.00 178.83 178.18 3gf7 h ALA 127 N 0.69 0.65 -0.45 3.38 0.00 -1.87 0.15 119.26 121.80 3gf7 h ALA 127 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3gf7 h ALA 127 Cb 0.89 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3gf7 h ALA 127 CO 0.08 -0.04 0.29 1.49 0.00 0.00 0.00 179.25 181.06 3gf7 h GLU 128 N 0.55 0.61 -0.62 0.00 4.57 -1.76 -0.27 114.58 117.65 3gf7 h GLU 128 Ca 0.21 -0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.37 3gf7 h GLU 128 Cb 0.08 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 3gf7 h GLU 128 CO -0.12 0.42 0.39 -0.97 -1.18 0.00 0.00 179.01 177.55 3gf7 h ASN 129 N 0.61 0.65 -0.38 1.04 -0.73 -0.76 -1.81 115.58 114.21 3gf7 h ASN 129 Ca 0.16 -0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.26 3gf7 h ASN 129 Cb -0.04 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.38 3gf7 h ASN 129 CO -0.03 0.46 0.01 -0.07 -0.37 0.00 0.00 177.43 177.42 3gf7 h LEU 130 N 0.78 0.72 -0.74 0.34 3.38 -0.31 -2.65 115.31 116.83 3gf7 h LEU 130 Ca 0.24 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3gf7 h LEU 130 Cb -0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3gf7 h LEU 130 CO -0.09 0.79 -0.17 0.40 0.09 0.00 0.00 178.44 179.46 3gf7 h ILE 131 N 0.71 1.26 0.00 1.22 2.04 -0.61 -0.84 117.51 121.29 3gf7 h ILE 131 Ca 0.14 -1.26 -0.00 0.00 1.00 0.00 0.00 64.86 64.74 3gf7 h ILE 131 Cb 0.43 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3gf7 h ILE 131 CO 0.02 0.42 -0.01 0.03 0.00 0.00 0.00 178.15 178.61 3gf7 h ARG 132 N 0.69 0.00 0.02 2.37 3.08 -1.01 0.71 114.38 120.24 3gf7 h ARG 132 Ca 0.11 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 3gf7 h ARG 132 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3gf7 h ARG 132 CO 0.05 0.01 -0.20 0.00 -1.07 0.00 0.00 179.97 178.75 3gf7 h SER 134 N -0.70 0.82 -0.59 0.00 4.64 -0.96 -1.94 113.55 114.81 3gf7 h SER 134 Ca -0.03 -0.28 0.09 0.00 -0.47 0.00 0.00 61.79 61.10 3gf7 h SER 134 Cb 1.06 -0.22 -0.07 0.00 -0.31 0.00 0.00 62.40 62.86 3gf7 h SER 134 CO 0.04 0.89 0.22 0.44 -0.87 0.00 0.00 176.83 177.55 3gf7 h ASP 135 N 0.71 0.23 -0.49 4.97 3.32 -0.98 0.12 116.42 124.29 3gf7 h ASP 135 Ca 0.15 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3gf7 h ASP 135 Cb 0.45 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 3gf7 h ASP 135 CO 0.02 0.14 0.32 0.00 -1.72 0.00 0.00 179.24 177.99 3gf7 h ALA 136 N 1.40 0.62 -0.80 3.45 0.00 -1.27 0.34 119.26 123.00 3gf7 h ALA 136 Ca 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3gf7 h ALA 136 Cb 0.35 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3gf7 h ALA 136 CO -0.29 0.08 0.51 0.00 0.00 0.00 0.00 179.25 179.54 3gf7 h ALA 137 N 1.17 1.01 0.26 0.00 0.00 -0.75 -1.66 119.26 119.29 3gf7 h ALA 137 Ca 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3gf7 h ALA 137 Cb -0.06 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.41 3gf7 h ALA 137 CO -0.04 0.45 -0.13 -0.22 0.00 0.00 0.00 179.25 179.32 3gf7 h LYS 138 N 1.09 -0.34 -0.75 0.00 3.64 -0.41 0.97 116.57 120.77 3gf7 h LYS 138 Ca 0.29 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 3gf7 h LYS 138 Cb -0.08 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 3gf7 h LYS 138 CO -0.06 -0.11 0.44 0.52 -2.27 0.00 0.00 179.45 177.98 3gf7 h MET 139 N -0.52 1.01 -0.01 1.90 2.86 -0.86 -2.56 114.93 116.75 3gf7 h MET 139 Ca -0.04 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3gf7 h MET 139 Cb 0.39 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3gf7 h MET 139 CO 0.06 0.72 -0.41 -1.33 1.06 0.00 0.00 176.91 177.00 3gf7 n MET 140 N -4.38 0.65 -3.65 1.72 2.81 -0.63 -4.32 117.12 109.31 3gf7 n MET 140 Ca 0.08 -0.43 -0.23 0.00 -1.81 0.00 0.00 57.70 55.31 3gf7 n MET 140 Cb 0.07 -1.49 0.04 0.00 -0.71 0.00 0.00 33.22 31.13 3gf7 n MET 140 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 3gf7 n HIS 141 N -0.80 -1.97 -5.10 2.03 -0.00 0.13 -4.72 115.22 104.78 3gf7 n HIS 141 Ca 0.10 0.76 -0.30 0.00 0.46 0.00 0.00 57.72 58.74 3gf7 n HIS 141 Cb 0.36 -4.16 -0.16 0.00 -0.12 0.00 0.00 29.99 25.91 3gf7 n HIS 141 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 3gf7 s LEU 142 N -6.49 2.01 0.38 0.27 2.96 -0.00 -4.70 118.68 113.10 3gf7 s LEU 142 Ca 0.15 -0.46 -0.27 0.00 -0.22 0.00 0.00 54.13 53.33 3gf7 s LEU 142 Cb -0.04 -1.23 -0.11 0.00 0.50 0.00 0.00 46.19 45.31 3gf7 s LEU 142 CO 0.82 0.21 1.35 -2.65 -1.32 0.00 0.00 176.35 174.75 3gf7 n PRO 143 N 3.06 2.24 -4.17 0.98 -0.02 -1.26 -4.62 135.00 131.20 3gf7 n PRO 143 Ca -0.18 0.79 -0.34 0.00 -2.02 0.00 0.00 63.50 61.75 3gf7 n PRO 143 Cb 0.52 -2.45 -0.11 0.00 -0.02 0.00 0.00 33.50 31.44 3gf7 n PRO 143 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3gf7 s LEU 144 N -1.53 3.47 -0.19 2.45 2.96 -0.87 -0.42 118.68 124.55 3gf7 s LEU 144 Ca 0.56 -0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 54.40 3gf7 s LEU 144 Cb -0.52 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.31 3gf7 s LEU 144 CO 0.61 0.14 -0.14 -0.63 -1.32 0.00 0.00 176.35 175.02 3gf7 s ILE 145 N 0.53 2.65 -0.20 6.68 -1.09 0.21 -0.41 121.20 129.55 3gf7 s ILE 145 Ca -0.00 -0.75 -0.12 0.00 -2.23 0.00 0.00 60.65 57.55 3gf7 s ILE 145 Cb -0.14 -2.15 -0.05 0.00 -1.58 0.00 0.00 42.46 38.55 3gf7 s ILE 145 CO 0.02 0.50 0.20 -0.31 -1.23 0.00 0.00 174.94 174.12 3gf7 s TYR 146 N 1.21 3.39 -0.80 3.97 1.51 0.11 0.06 117.35 126.80 3gf7 s TYR 146 Ca 0.02 0.39 -0.11 0.00 -1.01 0.00 0.00 57.07 56.36 3gf7 s TYR 146 Cb -0.14 -2.27 0.21 0.00 -0.11 0.00 0.00 41.96 39.65 3gf7 s TYR 146 CO -0.06 0.18 0.71 -0.51 -1.11 0.00 0.00 175.55 174.76 3gf7 s LEU 147 N 0.69 6.41 -0.18 -1.29 1.43 0.16 -0.60 118.68 125.30 3gf7 s LEU 147 Ca 0.11 -2.79 -0.11 0.00 -1.03 0.00 0.00 54.13 50.31 3gf7 s LEU 147 Cb -0.13 -2.13 -0.05 0.00 0.03 0.00 0.00 46.19 43.92 3gf7 s LEU 147 CO 0.02 -0.51 0.19 -0.22 0.23 0.00 0.00 176.35 176.06 3gf7 s LEU 148 N 0.02 4.23 -0.47 1.79 2.96 0.91 -1.36 118.68 126.76 3gf7 s LEU 148 Ca 0.18 0.34 0.06 0.00 -0.22 0.00 0.00 54.13 54.50 3gf7 s LEU 148 Cb -0.12 -2.19 0.22 0.00 0.50 0.00 0.00 46.19 44.60 3gf7 s LEU 148 CO -0.08 0.17 0.70 -3.20 -1.32 0.00 0.00 176.35 172.62 3gf7 n ASN 149 N 3.44 -2.15 -3.94 3.68 2.85 -1.26 0.55 115.26 118.43 3gf7 n ASN 149 Ca -0.15 -2.96 -0.30 0.00 -0.11 0.00 0.00 54.58 51.06 3gf7 n ASN 149 Cb 0.52 1.02 -0.15 0.00 1.24 0.00 0.00 39.78 42.41 3gf7 n ASN 149 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3gf7 n SER 151 N 4.62 0.00 0.00 0.00 3.41 -0.48 -3.83 113.62 117.34 3gf7 n SER 151 Ca -0.09 -1.02 0.00 0.00 -0.26 0.00 0.00 58.87 57.50 3gf7 n SER 151 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 3gf7 n SER 151 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gf7 n GLY 152 N 0.64 0.37 3.74 5.00 0.00 -1.26 -4.64 105.19 109.04 3gf7 n GLY 152 Ca 0.17 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 3gf7 n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gf7 s VAL 153 N 0.00 4.71 0.00 1.61 1.01 -1.26 -0.23 120.40 126.25 3gf7 s VAL 153 Ca 0.00 1.76 -0.30 0.00 0.00 0.00 0.00 61.98 63.45 3gf7 s VAL 153 Cb 0.00 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 3gf7 s VAL 153 CO 0.00 0.33 0.97 -1.61 0.00 0.00 0.00 175.10 174.78 3gf7 s GLU 154 N 0.12 4.56 0.31 2.72 2.02 -1.26 -4.95 118.70 122.22 3gf7 s GLU 154 Ca 0.42 1.40 0.02 0.00 0.02 0.00 0.00 54.97 56.82 3gf7 s GLU 154 Cb -0.21 -3.45 0.51 0.00 0.10 0.00 0.00 34.13 31.08 3gf7 s GLU 154 CO 0.25 -0.03 1.86 0.74 0.02 0.00 0.00 175.26 178.10 3gf7 h PHE 155 N 6.71 0.69 -0.61 1.61 0.04 -1.97 -2.87 116.94 120.55 3gf7 h PHE 155 Ca -0.41 -0.06 0.03 0.00 2.80 0.00 0.00 57.97 60.33 3gf7 h PHE 155 Cb 1.22 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 39.13 3gf7 h PHE 155 CO 0.68 0.62 0.40 -1.35 -0.60 0.00 0.00 178.31 178.06 3gf7 h PRO 156 N 0.65 0.69 -0.01 1.51 0.11 -2.03 -3.30 132.00 129.62 3gf7 h PRO 156 Ca 0.14 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3gf7 h PRO 156 Cb 0.30 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.25 3gf7 h PRO 156 CO 0.00 0.46 0.00 0.27 -0.21 0.00 0.00 178.00 178.52 3gf7 n ASN 157 N -4.46 2.36 -0.34 -2.05 0.23 -1.13 -4.81 115.26 105.07 3gf7 n ASN 157 Ca 0.07 -2.97 0.23 0.00 -0.53 0.00 0.00 54.58 51.39 3gf7 n ASN 157 Cb 0.14 -0.39 0.49 0.00 -2.08 0.00 0.00 39.78 37.94 3gf7 n ASN 157 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 3gf7 h GLN 158 N 0.07 0.39 0.00 -3.83 -0.00 -1.60 0.22 115.11 110.35 3gf7 h GLN 158 Ca 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.63 3gf7 h GLN 158 Cb 0.96 -0.09 -0.00 0.00 -0.00 0.00 0.00 27.48 28.35 3gf7 h GLN 158 CO 0.01 0.25 -0.00 0.38 -0.00 0.00 0.00 178.83 179.47 3gf7 h ASP 159 N 0.40 0.00 0.03 0.06 2.03 -1.90 0.41 116.42 117.45 3gf7 h ASP 159 Ca 0.64 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.94 3gf7 h ASP 159 Cb 1.57 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.07 3gf7 h ASP 159 CO -0.38 0.00 -0.93 0.29 -1.03 0.00 0.00 179.24 177.20 3gf7 n LYS 160 N -3.24 0.09 0.00 4.15 5.02 0.06 -4.56 118.16 119.68 3gf7 n LYS 160 Ca -0.03 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 3gf7 n LYS 160 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 3gf7 n LYS 160 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3gf7 n VAL 161 N -1.39 0.00 -0.07 -0.18 0.24 -0.67 -4.73 118.33 111.53 3gf7 n VAL 161 Ca 0.04 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.22 3gf7 n VAL 161 Cb 0.34 -0.32 -0.10 0.00 -1.47 0.00 0.00 33.84 32.29 3gf7 n VAL 161 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 3gf7 h TYR 162 N 0.00 0.00 -3.12 6.34 3.20 -0.47 0.67 116.97 123.58 3gf7 h TYR 162 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3gf7 h TYR 162 Cb 0.40 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.67 3gf7 h TYR 162 CO 0.00 0.89 0.00 -0.35 -1.64 0.00 0.00 178.16 177.06 3gf7 n PRO 163 N -4.60 0.71 -0.00 1.82 -0.04 -1.26 -3.74 135.00 127.89 3gf7 n PRO 163 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 3gf7 n PRO 163 Cb 0.44 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.89 3gf7 n PRO 163 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3gf7 n ASN 164 N -2.78 -0.01 -0.23 3.54 2.85 -1.26 -3.66 115.26 113.70 3gf7 n ASN 164 Ca 0.00 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.59 3gf7 n ASN 164 Cb 0.00 -0.01 0.41 0.00 1.24 0.00 0.00 39.78 41.42 3gf7 n ASN 164 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 3gf7 h ARG 165 N -0.00 0.61 -1.63 1.20 3.08 -2.03 -3.11 114.38 112.51 3gf7 h ARG 165 Ca -0.00 -0.04 -0.53 0.00 0.07 0.00 0.00 59.98 59.49 3gf7 h ARG 165 Cb 0.00 -0.14 -0.41 0.00 0.08 0.00 0.00 29.97 29.50 3gf7 h ARG 165 CO 0.00 0.41 -0.87 0.54 -1.07 0.00 0.00 179.97 178.98 3gf7 n ARG 166 N -4.53 2.61 0.00 0.04 1.74 -1.26 -4.65 116.66 110.61 3gf7 n ARG 166 Ca 0.16 -4.18 0.00 0.00 -0.77 0.00 0.00 57.85 53.05 3gf7 n ARG 166 Cb 0.45 -1.96 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 3gf7 n ARG 166 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gf7 n GLY 167 N -0.25 5.95 0.25 -0.13 0.00 -1.18 -4.45 105.19 105.38 3gf7 n GLY 167 Ca 0.29 -2.00 0.14 0.00 0.00 0.00 0.00 46.02 44.46 3gf7 n GLY 167 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gf7 h GLY 168 N 0.00 0.00 0.85 -0.02 0.00 -0.94 -1.97 103.07 100.99 3gf7 h GLY 168 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gf7 h GLY 168 CO 0.00 0.00 -0.99 0.61 0.00 0.00 0.00 176.54 176.16 3gf7 n GLY 169 N -1.22 -1.35 0.13 4.60 0.00 -1.26 -4.42 105.19 101.67 3gf7 n GLY 169 Ca -0.02 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 3gf7 n GLY 169 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3gf7 h THR 170 N 0.00 1.16 -0.31 2.61 2.02 -1.62 -3.11 112.91 113.67 3gf7 h THR 170 Ca 0.00 -0.49 0.09 0.00 0.77 0.00 0.00 66.41 66.78 3gf7 h THR 170 Cb 0.86 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 3gf7 h THR 170 CO 0.00 0.16 0.36 -0.65 0.37 0.00 0.00 175.52 175.76 3gf7 h PRO 171 N 0.23 0.00 -0.09 6.66 0.11 -1.77 0.44 132.00 137.58 3gf7 h PRO 171 Ca 0.08 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.99 3gf7 h PRO 171 Cb 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 3gf7 h PRO 171 CO -0.01 0.00 -0.76 0.74 -0.21 0.00 0.00 178.00 177.77 3gf7 h PHE 172 N 0.00 0.65 -0.32 0.65 0.04 -1.82 0.12 116.94 116.26 3gf7 h PHE 172 Ca 0.15 -0.29 -0.13 0.00 2.80 0.00 0.00 57.97 60.49 3gf7 h PHE 172 Cb 0.86 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 38.91 3gf7 h PHE 172 CO 0.00 1.07 -0.32 0.74 -0.60 0.00 0.00 178.31 179.20 3gf7 h PHE 173 N 0.32 0.94 -0.43 -0.55 -1.00 -1.34 -2.78 116.94 112.10 3gf7 h PHE 173 Ca -0.04 -0.28 -0.00 0.00 2.81 0.00 0.00 57.97 60.45 3gf7 h PHE 173 Cb 1.35 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 40.69 3gf7 h PHE 173 CO 0.05 1.06 0.25 0.00 -1.61 0.00 0.00 178.31 178.06 3gf7 h ARG 174 N 0.56 0.57 -0.18 1.51 2.47 -0.75 0.49 114.38 119.06 3gf7 h ARG 174 Ca 0.05 -0.05 -0.15 0.00 -1.26 0.00 0.00 59.98 58.57 3gf7 h ARG 174 Cb 0.90 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 29.09 3gf7 h ARG 174 CO 0.08 0.41 -0.53 -0.91 0.56 0.00 0.00 179.97 179.58 3gf7 h ASN 175 N 0.59 0.56 -0.35 7.04 -0.26 -0.73 -1.76 115.58 120.66 3gf7 h ASN 175 Ca 0.15 -0.29 -0.09 0.00 -0.56 0.00 0.00 56.30 55.51 3gf7 h ASN 175 Cb -0.01 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.08 3gf7 h ASN 175 CO -0.03 0.98 -0.13 0.28 -1.06 0.00 0.00 177.43 177.48 3gf7 h SER 176 N 0.39 0.72 -0.29 5.81 0.02 -1.08 -2.18 113.55 116.95 3gf7 h SER 176 Ca 0.01 -0.39 0.02 0.00 -0.84 0.00 0.00 61.79 60.59 3gf7 h SER 176 Cb 1.06 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 3gf7 h SER 176 CO 0.10 0.94 0.15 -0.08 -1.14 0.00 0.00 176.83 176.79 3gf7 h GLU 177 N 0.49 0.30 -0.40 3.45 4.81 -0.92 0.14 114.58 122.45 3gf7 h GLU 177 Ca 0.08 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.37 3gf7 h GLU 177 Cb 0.65 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.89 3gf7 h GLU 177 CO 0.04 0.20 -0.05 -0.07 -0.73 0.00 0.00 179.01 178.40 3gf7 h LEU 178 N 0.31 -0.26 -0.30 1.64 3.38 -1.27 0.19 115.31 118.99 3gf7 h LEU 178 Ca 0.12 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.21 3gf7 h LEU 178 Cb 0.03 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3gf7 h LEU 178 CO -0.07 -0.09 0.15 0.78 0.09 0.00 0.00 178.44 179.29 3gf7 h ASN 179 N 0.05 0.21 0.39 -0.43 4.21 -1.10 0.50 115.58 119.42 3gf7 h ASN 179 Ca 0.19 0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.69 3gf7 h ASN 179 Cb 0.29 -0.03 -0.00 0.00 -1.12 0.00 0.00 38.32 37.46 3gf7 h ASN 179 CO -0.37 0.16 -0.16 1.56 -1.29 0.00 0.00 177.43 177.34 3gf7 h GLN 180 N 0.31 0.00 -0.01 0.81 4.20 -0.16 0.13 115.11 120.39 3gf7 h GLN 180 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3gf7 h GLN 180 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 3gf7 h GLN 180 CO -0.09 0.16 0.00 1.28 -0.67 0.00 0.00 178.83 179.51 3gf7 n LEU 181 N -3.74 0.50 0.00 1.46 4.77 0.61 -4.91 117.00 115.69 3gf7 n LEU 181 Ca -0.02 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 3gf7 n LEU 181 Cb 0.27 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3gf7 n LEU 181 CO 0.32 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3gf7 n GLY 182 N 1.05 0.46 3.43 -0.72 0.00 0.47 -5.03 105.19 104.84 3gf7 n GLY 182 Ca 0.22 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 3gf7 n GLY 182 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gf7 s ILE 183 N -2.00 4.75 0.31 -0.61 1.01 0.17 -4.97 121.20 119.86 3gf7 s ILE 183 Ca 0.00 -0.60 -0.28 0.00 0.00 0.00 0.00 60.65 59.77 3gf7 s ILE 183 Cb 0.00 -3.54 -0.10 0.00 0.01 0.00 0.00 42.46 38.83 3gf7 s ILE 183 CO 0.00 -0.11 1.15 -2.16 0.00 0.00 0.00 174.94 173.82 3gf7 s PRO 184 N 1.61 4.48 -0.12 2.79 0.04 -1.26 -2.91 135.00 139.63 3gf7 s PRO 184 Ca 0.04 1.87 0.01 0.00 0.04 0.00 0.00 61.00 62.96 3gf7 s PRO 184 Cb -0.18 -3.06 -0.02 0.00 0.04 0.00 0.00 34.50 31.28 3gf7 s PRO 184 CO 0.07 0.04 -0.14 0.08 0.04 0.00 0.00 177.00 177.10 3gf7 s VAL 185 N -1.22 3.00 -0.13 -0.36 1.01 -1.26 -2.04 120.40 119.39 3gf7 s VAL 185 Ca 0.48 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.79 3gf7 s VAL 185 Cb -0.33 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 33.83 3gf7 s VAL 185 CO 0.42 0.54 -0.19 -0.63 0.00 0.00 0.00 175.10 175.24 3gf7 s ILE 186 N 0.19 1.82 -0.15 2.22 1.01 0.45 -0.41 121.20 126.34 3gf7 s ILE 186 Ca -0.08 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.74 3gf7 s ILE 186 Cb -0.15 -1.63 -0.00 0.00 0.01 0.00 0.00 42.46 40.68 3gf7 s ILE 186 CO 0.05 0.50 -0.15 0.54 0.00 0.00 0.00 174.94 175.88 3gf7 s VAL 187 N 0.93 2.69 -0.28 2.92 0.11 0.30 0.05 120.40 127.13 3gf7 s VAL 187 Ca -0.06 -0.77 -0.19 0.00 -2.93 0.00 0.00 61.98 58.03 3gf7 s VAL 187 Cb -0.15 -2.13 -0.02 0.00 -1.53 0.00 0.00 36.38 32.55 3gf7 s VAL 187 CO -0.03 0.52 0.58 -0.83 -3.33 0.00 0.00 175.10 172.01 3gf7 s GLY 188 N 0.71 1.81 -0.34 6.54 0.00 0.23 -0.36 107.32 115.92 3gf7 s GLY 188 Ca -0.07 -0.60 -0.12 0.00 0.00 0.00 0.00 44.72 43.93 3gf7 s GLY 188 CO 0.01 1.35 0.22 -0.42 0.00 0.00 0.00 173.10 174.27 3gf7 s ILE 189 N 2.45 5.15 0.04 0.90 1.01 0.34 -0.06 121.20 131.02 3gf7 s ILE 189 Ca 0.23 -0.26 0.07 0.00 0.00 0.00 0.00 60.65 60.69 3gf7 s ILE 189 Cb -0.15 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 3gf7 s ILE 189 CO 0.10 0.00 -0.17 -0.31 0.00 0.00 0.00 174.94 174.56 3gf7 s TYR 190 N 1.70 2.58 0.00 3.97 1.51 0.19 -0.91 117.35 126.40 3gf7 s TYR 190 Ca 0.06 -0.24 0.00 0.00 -1.01 0.00 0.00 57.07 55.88 3gf7 s TYR 190 Cb -0.17 -1.47 0.00 0.00 -0.11 0.00 0.00 41.96 40.21 3gf7 s TYR 190 CO 0.10 0.27 0.00 0.41 -1.11 0.00 0.00 175.55 175.21 3gf7 n GLY 191 N 1.52 1.51 3.62 0.71 0.00 -1.26 -4.18 105.19 107.11 3gf7 n GLY 191 Ca -0.16 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 44.94 3gf7 n GLY 191 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gf7 s THR 192 N 0.00 5.23 -0.58 2.61 2.01 -1.26 -0.72 115.64 122.93 3gf7 s THR 192 Ca 0.00 0.46 0.05 0.00 0.31 0.00 0.00 61.69 62.51 3gf7 s THR 192 Cb 0.00 -3.64 0.20 0.00 0.01 0.00 0.00 72.50 69.06 3gf7 s THR 192 CO 0.00 0.21 0.51 0.59 -0.69 0.00 0.00 174.62 175.24 3gf7 n ASN 193 N 5.03 1.91 -4.90 3.53 4.13 -0.50 -3.62 115.26 120.85 3gf7 n ASN 193 Ca -0.10 -2.98 -0.29 0.00 1.68 0.00 0.00 54.58 52.89 3gf7 n ASN 193 Cb 0.51 -0.67 -0.03 0.00 -1.54 0.00 0.00 39.78 38.05 3gf7 n ASN 193 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3gf7 s PRO 194 N -1.25 3.67 1.71 3.52 0.04 -1.26 -0.96 135.00 140.47 3gf7 s PRO 194 Ca 0.31 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.55 3gf7 s PRO 194 Cb 0.05 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 32.08 3gf7 s PRO 194 CO -0.14 0.05 0.00 0.00 0.04 0.00 0.00 177.00 176.95 3gf7 n ALA 195 N -1.32 0.00 -0.11 8.56 0.00 0.63 -1.96 120.51 126.31 3gf7 n ALA 195 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3gf7 n ALA 195 Cb 0.54 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.01 3gf7 n ALA 195 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3gf7 h GLY 196 N 0.00 0.50 1.45 0.00 0.00 -1.87 0.60 103.07 103.75 3gf7 h GLY 196 Ca 0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 47.33 47.13 3gf7 h GLY 196 CO 0.00 0.06 -0.20 -1.33 0.00 0.00 0.00 176.54 175.07 3gf7 h GLY 197 N 0.33 0.69 0.90 4.60 0.00 -1.50 -1.45 103.07 106.65 3gf7 h GLY 197 Ca 0.17 -0.56 0.02 0.00 0.00 0.00 0.00 47.33 46.96 3gf7 h GLY 197 CO -0.15 0.51 0.39 -1.33 0.00 0.00 0.00 176.54 175.95 3gf7 h GLY 198 N 0.99 0.88 1.87 4.60 0.00 -0.10 0.17 103.07 111.47 3gf7 h GLY 198 Ca 0.09 -0.29 -0.16 0.00 0.00 0.00 0.00 47.33 46.97 3gf7 h GLY 198 CO 0.05 0.26 -0.70 -0.97 0.00 0.00 0.00 176.54 175.18 3gf7 h TYR 199 N 0.77 0.18 0.00 5.60 -1.99 -0.83 -0.32 116.97 120.38 3gf7 h TYR 199 Ca 0.24 -0.08 -0.05 0.00 2.00 0.00 0.00 58.73 60.84 3gf7 h TYR 199 Cb -0.01 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 38.69 3gf7 h TYR 199 CO -0.05 0.78 -0.23 0.45 -0.00 0.00 0.00 178.16 179.11 3gf7 h HIS 200 N 0.09 0.00 0.15 4.88 3.86 -0.89 -1.48 115.15 121.77 3gf7 h HIS 200 Ca -0.01 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.91 3gf7 h HIS 200 Cb 1.24 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.74 3gf7 h HIS 200 CO 0.01 0.23 -1.19 0.77 0.86 0.00 0.00 177.93 178.62 3gf7 h SER 201 N 0.00 0.79 1.23 2.45 0.02 -0.07 -3.37 113.55 114.59 3gf7 h SER 201 Ca -0.00 -0.86 -0.10 0.00 -0.84 0.00 0.00 61.79 59.98 3gf7 h SER 201 Cb 0.44 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 3gf7 h SER 201 CO 0.03 1.58 -0.80 -0.29 -1.14 0.00 0.00 176.83 176.21 3gf7 h ILE 202 N 0.11 0.57 -0.15 3.27 6.09 -1.00 -3.37 117.51 123.03 3gf7 h ILE 202 Ca -0.19 -1.90 -0.11 0.00 -1.37 0.00 0.00 64.86 61.28 3gf7 h ILE 202 Cb 1.90 2.16 -0.01 0.00 0.47 0.00 0.00 36.82 41.33 3gf7 h ILE 202 CO 0.23 0.33 -0.40 0.77 -3.07 0.00 0.00 178.15 176.00 3gf7 h SER 203 N 0.00 0.36 -3.27 2.19 4.64 -1.43 -3.45 113.55 112.57 3gf7 h SER 203 Ca -0.05 -0.15 -0.44 0.00 -0.47 0.00 0.00 61.79 60.67 3gf7 h SER 203 Cb 1.37 -0.10 0.21 0.00 -0.31 0.00 0.00 62.40 63.58 3gf7 h SER 203 CO 0.05 0.73 0.01 -2.84 -0.87 0.00 0.00 176.83 173.90 3gf7 s PRO 204 N -4.18 -0.95 -0.03 4.77 0.02 -1.26 -4.56 135.00 128.81 3gf7 s PRO 204 Ca -0.05 0.88 -0.22 0.00 0.02 0.00 0.00 61.00 61.62 3gf7 s PRO 204 Cb 0.13 -1.55 -0.25 0.00 0.02 0.00 0.00 34.50 32.85 3gf7 s PRO 204 CO 0.79 -3.76 1.01 1.15 -0.33 0.00 0.00 177.00 175.86 3gf7 h THR 205 N -2.65 1.51 -3.30 0.99 2.02 -1.06 -3.46 112.91 106.97 3gf7 h THR 205 Ca -0.61 -2.15 -0.66 0.00 0.77 0.00 0.00 66.41 63.76 3gf7 h THR 205 Cb 1.33 2.83 -0.33 0.00 -1.74 0.00 0.00 68.15 70.24 3gf7 h THR 205 CO 0.50 0.61 -0.87 -0.63 0.37 0.00 0.00 175.52 175.50 3gf7 s ILE 206 N -2.96 1.94 -0.34 3.11 -1.09 -0.63 -5.00 121.20 116.23 3gf7 s ILE 206 Ca -0.14 -0.93 -0.04 0.00 -2.23 0.00 0.00 60.65 57.30 3gf7 s ILE 206 Cb 0.02 -1.70 0.06 0.00 -1.58 0.00 0.00 42.46 39.26 3gf7 s ILE 206 CO 0.79 0.53 0.09 -0.76 -1.23 0.00 0.00 174.94 174.36 3gf7 s LEU 207 N 0.56 4.36 -0.24 2.97 1.02 -1.26 -0.53 118.68 125.56 3gf7 s LEU 207 Ca -0.14 -1.39 -0.07 0.00 0.02 0.00 0.00 54.13 52.55 3gf7 s LEU 207 Cb -0.17 -1.80 -0.03 0.00 0.02 0.00 0.00 46.19 44.22 3gf7 s LEU 207 CO 0.04 -0.35 0.06 -0.63 0.02 0.00 0.00 176.35 175.49 3gf7 s ILE 208 N 1.29 4.29 0.09 -0.59 -1.09 0.52 -1.60 121.20 124.10 3gf7 s ILE 208 Ca -0.01 -0.18 0.05 0.00 -2.23 0.00 0.00 60.65 58.27 3gf7 s ILE 208 Cb -0.20 -2.99 -0.04 0.00 -1.58 0.00 0.00 42.46 37.64 3gf7 s ILE 208 CO -0.00 0.36 0.01 0.00 -1.23 0.00 0.00 174.94 174.07 3gf7 s ALA 209 N 1.49 3.33 0.21 9.38 0.00 0.01 0.13 121.76 136.30 3gf7 s ALA 209 Ca 0.06 -1.10 -0.28 0.00 0.00 0.00 0.00 51.96 50.63 3gf7 s ALA 209 Cb -0.15 -1.23 -0.09 0.00 0.00 0.00 0.00 23.12 21.66 3gf7 s ALA 209 CO 0.03 0.71 0.87 -1.58 0.00 0.00 0.00 175.76 175.79 3gf7 s HIS 210 N -1.33 3.95 0.59 0.00 2.46 -0.08 -1.39 115.29 119.48 3gf7 s HIS 210 Ca 0.26 1.80 0.29 0.00 0.47 0.00 0.00 55.06 57.88 3gf7 s HIS 210 Cb -0.12 -2.89 1.37 0.00 -0.13 0.00 0.00 32.58 30.81 3gf7 s HIS 210 CO 0.19 0.48 1.76 -0.56 -2.47 0.00 0.00 174.74 174.13 3gf7 h GLN 211 N 4.19 0.00 -0.03 2.88 3.07 -1.01 0.23 115.11 124.43 3gf7 h GLN 211 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.28 3gf7 h GLN 211 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.76 3gf7 h GLN 211 CO 0.67 0.00 0.00 -0.25 0.09 0.00 0.00 178.83 179.34 3gf7 n ASP 212 N -3.63 2.39 -4.82 0.06 8.00 -1.26 -4.57 116.55 112.71 3gf7 n ASP 212 Ca 0.13 -1.69 -0.30 0.00 0.71 0.00 0.00 54.79 53.64 3gf7 n ASP 212 Cb 0.91 -0.01 0.08 0.00 -0.02 0.00 0.00 41.12 42.08 3gf7 n ASP 212 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gf7 s ALA 213 N -1.35 2.40 -0.01 2.24 0.00 0.80 -4.67 121.76 121.16 3gf7 s ALA 213 Ca 0.19 -0.20 -0.13 0.00 0.00 0.00 0.00 51.96 51.82 3gf7 s ALA 213 Cb 0.14 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 20.17 3gf7 s ALA 213 CO 0.20 -1.58 0.26 0.54 0.00 0.00 0.00 175.76 175.18 3gf7 s ASN 214 N -3.97 -0.13 -0.01 0.00 2.20 0.10 -3.68 114.94 109.45 3gf7 s ASN 214 Ca 0.60 -0.02 0.03 0.00 -0.94 0.00 0.00 52.86 52.53 3gf7 s ASN 214 Cb -0.14 0.28 -0.01 0.00 -2.00 0.00 0.00 41.25 39.39 3gf7 s ASN 214 CO 0.54 -0.44 -0.08 0.00 -2.94 0.00 0.00 177.10 174.18 3gf7 s MET 215 N -1.44 0.69 0.06 3.55 0.23 -0.70 -1.41 119.30 120.29 3gf7 s MET 215 Ca -0.13 -0.30 -0.23 0.00 -1.03 0.00 0.00 55.69 54.00 3gf7 s MET 215 Cb -0.06 -0.67 0.06 0.00 -1.53 0.00 0.00 34.83 32.63 3gf7 s MET 215 CO 0.03 0.17 0.54 0.00 -2.03 0.00 0.00 175.02 173.73 3gf7 s ALA 216 N -0.15 -1.39 0.21 3.16 0.00 -0.71 -4.20 121.76 118.68 3gf7 s ALA 216 Ca 0.03 0.63 -0.09 0.00 0.00 0.00 0.00 51.96 52.53 3gf7 s ALA 216 Cb -0.04 0.43 0.28 0.00 0.00 0.00 0.00 23.12 23.79 3gf7 s ALA 216 CO -0.00 -0.53 1.77 0.28 0.00 0.00 0.00 175.76 177.27 3gf7 h VAL 217 N 2.68 0.85 -1.51 0.00 2.07 -1.89 0.18 116.25 118.62 3gf7 h VAL 217 Ca -0.31 -0.18 0.08 0.00 0.82 0.00 0.00 66.70 67.11 3gf7 h VAL 217 Cb 1.22 0.27 -0.27 0.00 -1.52 0.00 0.00 31.29 31.00 3gf7 h VAL 217 CO 0.41 0.10 0.53 -0.83 0.02 0.00 0.00 177.57 177.80 3gf7 s GLY 218 N -3.11 -0.09 0.00 2.17 0.00 -1.26 -1.93 107.32 103.10 3gf7 s GLY 218 Ca -0.13 2.72 0.00 0.00 0.00 0.00 0.00 44.72 47.31 3gf7 s GLY 218 CO 0.75 1.74 0.00 0.58 0.00 0.00 0.00 173.10 176.17 3gf7 n LYS 251 N 1.91 0.00 -1.07 2.90 -0.00 -1.26 -4.72 118.16 115.93 3gf7 n LYS 251 Ca -0.12 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.78 3gf7 n LYS 251 Cb 0.56 -0.39 -0.06 0.00 -0.00 0.00 0.00 35.03 35.14 3gf7 n LYS 251 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3gf7 n VAL 252 N 0.82 0.00 -2.23 0.58 0.31 -1.26 -4.85 118.33 111.70 3gf7 n VAL 252 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.96 3gf7 n VAL 252 Cb 0.00 -0.18 -0.00 0.00 -0.91 0.00 0.00 33.84 32.74 3gf7 n VAL 252 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3gf7 s PRO 253 N 1.10 3.62 0.18 5.55 0.02 -1.26 -4.94 135.00 139.27 3gf7 s PRO 253 Ca 0.64 1.77 -0.33 0.00 0.02 0.00 0.00 61.00 63.10 3gf7 s PRO 253 Cb -0.91 -2.30 -0.14 0.00 0.02 0.00 0.00 34.50 31.16 3gf7 s PRO 253 CO 0.46 -0.67 1.40 0.00 -0.33 0.00 0.00 177.00 177.86 3gf7 n ALA 254 N -0.71 0.50 -1.65 -1.55 0.00 -1.26 -4.87 120.51 110.97 3gf7 n ALA 254 Ca 0.09 0.45 -0.44 0.00 0.00 0.00 0.00 53.44 53.53 3gf7 n ALA 254 Cb 0.48 -2.22 -0.02 0.00 0.00 0.00 0.00 19.45 17.70 3gf7 n ALA 254 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3gf7 n PRO 255 N 2.43 1.80 -2.94 0.00 -0.02 -1.26 -3.35 135.00 131.65 3gf7 n PRO 255 Ca 0.15 0.63 -0.11 0.00 -2.02 0.00 0.00 63.50 62.16 3gf7 n PRO 255 Cb 0.27 -2.17 0.03 0.00 -0.02 0.00 0.00 33.50 31.62 3gf7 n PRO 255 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gf7 n GLY 256 N 1.39 0.28 3.88 -1.23 0.00 -1.26 -4.31 105.19 103.94 3gf7 n GLY 256 Ca 0.09 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 3gf7 n GLY 256 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gf7 s SER 257 N -3.11 2.68 0.23 1.61 0.01 -1.21 -1.71 113.70 112.19 3gf7 s SER 257 Ca 0.25 0.30 -0.08 0.00 1.31 0.00 0.00 55.95 57.72 3gf7 s SER 257 Cb -0.11 -0.35 0.36 0.00 0.21 0.00 0.00 66.02 66.14 3gf7 s SER 257 CO 0.31 -3.00 1.68 0.58 0.41 0.00 0.00 173.24 173.21 3gf7 h VAL 258 N -1.83 0.53 -0.02 3.43 2.07 -1.81 0.24 116.25 118.86 3gf7 h VAL 258 Ca -0.44 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.01 3gf7 h VAL 258 Cb 1.24 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3gf7 h VAL 258 CO 0.36 0.04 0.34 -0.65 0.02 0.00 0.00 177.57 177.68 3gf7 h PRO 259 N 0.21 0.00 0.00 1.57 0.11 -1.93 -0.09 132.00 131.87 3gf7 h PRO 259 Ca 0.36 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.46 3gf7 h PRO 259 Cb 0.59 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.70 3gf7 h PRO 259 CO -0.50 0.00 -0.90 -0.89 -0.21 0.00 0.00 178.00 175.50 3gf7 n ILE 260 N -2.92 1.48 1.13 4.15 2.08 0.63 -3.68 119.36 122.22 3gf7 n ILE 260 Ca -0.02 0.15 0.13 0.00 0.56 0.00 0.00 62.75 63.58 3gf7 n ILE 260 Cb 0.40 -2.35 0.46 0.00 -0.75 0.00 0.00 39.64 37.40 3gf7 n ILE 260 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 3gf7 n HIS 261 N -4.50 0.00 -0.09 1.39 8.25 0.03 -0.88 115.22 119.42 3gf7 n HIS 261 Ca -0.13 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.21 3gf7 n HIS 261 Cb 0.46 -0.30 -0.04 0.00 1.12 0.00 0.00 29.99 31.23 3gf7 n HIS 261 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 3gf7 n TYR 262 N -1.30 0.17 -0.07 4.41 9.36 -0.07 -0.23 117.16 129.42 3gf7 n TYR 262 Ca 0.09 0.07 -0.14 0.00 3.32 0.00 0.00 57.90 61.24 3gf7 n TYR 262 Cb 0.32 -0.62 -0.02 0.00 -0.63 0.00 0.00 39.34 38.39 3gf7 n TYR 262 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3gf7 h ASP 263 N -1.00 0.92 0.00 2.98 3.32 -1.56 -3.17 116.42 117.91 3gf7 h ASP 263 Ca -0.11 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.46 3gf7 h ASP 263 Cb 1.02 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.31 3gf7 h ASP 263 CO -0.06 1.27 0.00 -0.62 -1.72 0.00 0.00 179.24 178.11 3gf7 n GLU 264 N -4.01 0.00 -0.01 3.56 -0.58 -0.06 -4.72 120.64 114.82 3gf7 n GLU 264 Ca -0.04 0.09 -0.05 0.00 -0.42 0.00 0.00 57.16 56.74 3gf7 n GLU 264 Cb 0.61 -0.52 0.15 0.00 -0.57 0.00 0.00 31.44 31.11 3gf7 n GLU 264 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3gf7 h THR 265 N 0.00 1.28 -0.11 2.62 1.35 -1.42 -3.47 112.91 113.16 3gf7 h THR 265 Ca 0.00 -1.37 -0.05 0.00 -0.55 0.00 0.00 66.41 64.44 3gf7 h THR 265 Cb 0.00 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 67.78 3gf7 h THR 265 CO 0.00 0.44 -0.04 0.61 -0.25 0.00 0.00 175.52 176.28 3gf7 n GLY 266 N -0.24 0.56 0.20 5.82 0.00 -1.12 -4.93 105.19 105.48 3gf7 n GLY 266 Ca -0.01 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 3gf7 n GLY 266 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3gf7 h PHE 267 N 0.00 0.69 -2.62 1.61 0.04 -1.40 -3.37 116.94 111.88 3gf7 h PHE 267 Ca -0.05 -0.14 -0.58 0.00 2.80 0.00 0.00 57.97 60.00 3gf7 h PHE 267 Cb 0.25 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.20 3gf7 h PHE 267 CO 0.12 0.78 1.29 -0.06 -0.60 0.00 0.00 178.31 179.84 3gf7 s PHE 268 N -4.80 1.78 0.08 -0.55 0.08 0.68 -4.56 117.98 110.68 3gf7 s PHE 268 Ca -0.13 0.62 -0.11 0.00 0.12 0.00 0.00 56.93 57.43 3gf7 s PHE 268 Cb 0.09 -4.12 -0.22 0.00 -0.57 0.00 0.00 43.02 38.19 3gf7 s PHE 268 CO 0.79 -3.00 1.18 -0.09 -0.10 0.00 0.00 175.22 174.00 3gf7 h ARG 269 N 12.99 0.55 -4.44 0.44 2.43 -1.47 -3.41 114.38 121.47 3gf7 h ARG 269 Ca -0.34 -0.68 -0.29 0.00 -0.81 0.00 0.00 59.98 57.86 3gf7 h ARG 269 Cb 1.17 0.21 -0.24 0.00 -0.42 0.00 0.00 29.97 30.69 3gf7 h ARG 269 CO 1.03 1.28 -0.74 -1.21 -1.51 0.00 0.00 179.97 178.82 3gf7 s GLU 270 N -3.10 0.48 -0.01 0.20 2.02 -1.19 -5.07 118.70 112.03 3gf7 s GLU 270 Ca -0.08 -0.53 0.06 0.00 0.02 0.00 0.00 54.97 54.45 3gf7 s GLU 270 Cb 0.07 -0.32 -0.02 0.00 0.10 0.00 0.00 34.13 33.96 3gf7 s GLU 270 CO 0.91 0.07 -0.21 0.08 0.02 0.00 0.00 175.26 176.13 3gf7 s VAL 271 N -0.89 1.63 0.08 2.63 1.01 -1.26 -0.81 120.40 122.79 3gf7 s VAL 271 Ca -0.05 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.04 3gf7 s VAL 271 Cb -0.07 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 3gf7 s VAL 271 CO 0.00 0.43 -0.11 -0.31 0.00 0.00 0.00 175.10 175.12 3gf7 s TYR 272 N -0.52 1.01 0.29 5.22 1.51 -0.49 -4.94 117.35 119.43 3gf7 s TYR 272 Ca 0.08 -0.57 -0.02 0.00 -1.01 0.00 0.00 57.07 55.55 3gf7 s TYR 272 Cb -0.08 -0.57 0.41 0.00 -0.11 0.00 0.00 41.96 41.61 3gf7 s TYR 272 CO -0.00 -0.00 1.89 1.96 -1.11 0.00 0.00 175.55 178.28 3gf7 h GLN 273 N 3.98 0.98 -4.02 -0.62 4.20 -1.95 0.11 115.11 117.79 3gf7 h GLN 273 Ca -0.38 -0.12 -0.13 0.00 0.06 0.00 0.00 58.65 58.08 3gf7 h GLN 273 Cb 1.19 -0.19 -0.12 0.00 0.30 0.00 0.00 27.48 28.67 3gf7 h GLN 273 CO 0.47 0.75 -0.34 0.54 -0.67 0.00 0.00 178.83 179.57 3gf7 s ASN 274 N -6.43 0.03 0.24 1.46 2.20 -1.26 -4.55 114.94 106.63 3gf7 s ASN 274 Ca -0.11 -1.06 -0.04 0.00 -0.94 0.00 0.00 52.86 50.71 3gf7 s ASN 274 Cb 0.17 0.47 0.45 0.00 -2.00 0.00 0.00 41.25 40.34 3gf7 s ASN 274 CO 0.80 -0.97 1.72 0.44 -2.94 0.00 0.00 177.10 176.15 3gf7 h ASP 275 N 2.47 0.24 0.09 3.54 5.19 -1.90 -1.07 116.42 124.97 3gf7 h ASP 275 Ca -0.31 0.11 -0.09 0.00 -0.62 0.00 0.00 57.03 56.13 3gf7 h ASP 275 Cb 1.24 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.84 3gf7 h ASP 275 CO 0.45 0.08 -0.28 -0.07 -3.12 0.00 0.00 179.24 176.30 3gf7 h LEU 276 N 0.41 0.31 -0.55 1.55 3.38 -1.97 -1.50 115.31 116.95 3gf7 h LEU 276 Ca 0.41 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 58.18 3gf7 h LEU 276 Cb 0.64 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3gf7 h LEU 276 CO -0.42 0.60 -0.02 1.23 0.09 0.00 0.00 178.44 179.92 3gf7 h GLY 277 N 1.03 1.07 0.94 0.83 0.00 -1.63 -1.05 103.07 104.27 3gf7 h GLY 277 Ca 0.04 -0.80 -0.00 0.00 0.00 0.00 0.00 47.33 46.56 3gf7 h GLY 277 CO 0.05 0.74 0.11 -2.08 0.00 0.00 0.00 176.54 175.35 3gf7 h VAL 278 N 0.87 1.11 -0.67 4.60 2.07 -1.05 0.14 116.25 123.34 3gf7 h VAL 278 Ca 0.15 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 67.45 3gf7 h VAL 278 Cb 0.56 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 3gf7 h VAL 278 CO 0.03 0.11 0.34 0.40 0.02 0.00 0.00 177.57 178.47 3gf7 h ILE 279 N 0.21 0.89 -0.05 4.57 1.08 -1.18 0.20 117.51 123.23 3gf7 h ILE 279 Ca 0.07 -0.20 -0.11 0.00 -0.39 0.00 0.00 64.86 64.23 3gf7 h ILE 279 Cb 0.08 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 34.05 3gf7 h ILE 279 CO -0.01 0.11 -0.46 0.44 -0.69 0.00 0.00 178.15 177.54 3gf7 h ASP 280 N 0.60 0.14 -0.24 1.72 3.32 -0.78 0.22 116.42 121.39 3gf7 h ASP 280 Ca 0.32 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 3gf7 h ASP 280 Cb 0.29 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3gf7 h ASP 280 CO -0.23 0.58 0.11 1.23 -1.72 0.00 0.00 179.24 179.20 3gf7 h GLY 281 N 1.34 0.37 0.87 2.75 0.00 0.26 -1.72 103.07 106.94 3gf7 h GLY 281 Ca 0.01 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.16 3gf7 h GLY 281 CO 0.07 0.18 0.23 -2.22 0.00 0.00 0.00 176.54 174.80 3gf7 h ILE 282 N 0.24 1.02 -0.95 2.60 2.04 -0.03 -1.88 117.51 120.56 3gf7 h ILE 282 Ca 0.08 -0.16 0.10 0.00 1.00 0.00 0.00 64.86 65.88 3gf7 h ILE 282 Cb 0.14 0.51 -0.07 0.00 -0.74 0.00 0.00 36.82 36.66 3gf7 h ILE 282 CO -0.01 0.09 0.61 0.11 0.00 0.00 0.00 178.15 178.95 3gf7 h LYS 283 N 0.47 0.94 0.05 2.37 1.57 -0.45 -0.07 116.57 121.45 3gf7 h LYS 283 Ca 0.17 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3gf7 h LYS 283 Cb 0.03 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.13 3gf7 h LYS 283 CO -0.09 0.62 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.17 3gf7 h LYS 284 N 0.97 -0.06 -0.41 3.15 3.64 -0.55 0.45 116.57 123.76 3gf7 h LYS 284 Ca 0.45 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.78 3gf7 h LYS 284 Cb 0.41 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 3gf7 h LYS 284 CO -0.21 0.19 0.04 1.88 -2.27 0.00 0.00 179.45 179.08 3gf7 h TYR 285 N -0.31 0.67 -0.85 1.91 -1.99 -1.01 -1.96 116.97 113.43 3gf7 h TYR 285 Ca -0.01 -0.07 -0.01 0.00 2.00 0.00 0.00 58.73 60.64 3gf7 h TYR 285 Cb 0.28 -0.19 -0.04 0.00 2.00 0.00 0.00 36.73 38.78 3gf7 h TYR 285 CO 0.01 0.62 0.49 0.82 -0.00 0.00 0.00 178.16 180.09 3gf7 h ILE 286 N 0.62 1.24 -0.00 -2.88 2.04 -0.90 -2.00 117.51 115.62 3gf7 h ILE 286 Ca 0.13 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.42 3gf7 h ILE 286 Cb 0.33 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 3gf7 h ILE 286 CO 0.01 0.26 0.01 0.77 0.00 0.00 0.00 178.15 179.20 3gf7 h SER 287 N 1.18 0.00 1.21 1.72 4.64 -0.14 -1.04 113.55 121.12 3gf7 h SER 287 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3gf7 h SER 287 Cb -0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3gf7 h SER 287 CO -0.05 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.69 3gf7 n TYR 288 N -3.60 0.54 -2.83 4.77 4.01 -0.76 -4.92 117.16 114.38 3gf7 n TYR 288 Ca -0.03 0.16 -0.34 0.00 -0.16 0.00 0.00 57.90 57.54 3gf7 n TYR 288 Cb 0.08 -0.77 -0.07 0.00 -0.31 0.00 0.00 39.34 38.28 3gf7 n TYR 288 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3gf7 s LEU 289 N -3.90 4.03 0.32 7.72 1.43 -0.40 -5.01 118.68 122.87 3gf7 s LEU 289 Ca 0.11 1.70 -0.28 0.00 -1.03 0.00 0.00 54.13 54.63 3gf7 s LEU 289 Cb 0.14 -4.40 -0.09 0.00 0.03 0.00 0.00 46.19 41.87 3gf7 s LEU 289 CO 0.54 -0.29 1.12 -2.16 0.23 0.00 0.00 176.35 175.80 3gf7 s PRO 290 N -2.92 4.47 -0.28 1.29 0.04 -1.26 -5.02 135.00 131.33 3gf7 s PRO 290 Ca 0.59 1.82 -0.25 0.00 0.04 0.00 0.00 61.00 63.20 3gf7 s PRO 290 Cb -0.11 -3.03 0.09 0.00 0.04 0.00 0.00 34.50 31.49 3gf7 s PRO 290 CO 0.16 0.06 0.86 0.00 0.04 0.00 0.00 177.00 178.11 3gf7 s ALA 291 N -1.25 -1.87 0.51 8.56 0.00 -1.26 -4.86 121.76 121.59 3gf7 s ALA 291 Ca 0.48 1.97 -0.20 0.00 0.00 0.00 0.00 51.96 54.20 3gf7 s ALA 291 Cb -0.31 -1.30 -0.07 0.00 0.00 0.00 0.00 23.12 21.44 3gf7 s ALA 291 CO 0.40 -0.29 1.12 0.71 0.00 0.00 0.00 175.76 177.70 3gf7 s TYR 292 N 0.33 2.79 -0.19 0.00 1.51 0.20 -4.99 117.35 116.99 3gf7 s TYR 292 Ca 0.01 1.55 -0.29 0.00 -1.01 0.00 0.00 57.07 57.33 3gf7 s TYR 292 Cb -0.05 -3.26 -0.01 0.00 -0.11 0.00 0.00 41.96 38.53 3gf7 s TYR 292 CO -0.02 -1.39 1.26 1.21 -1.11 0.00 0.00 175.55 175.50 3gf7 s ASN 293 N -1.72 6.90 0.66 2.29 3.84 -1.26 -4.90 114.94 120.74 3gf7 s ASN 293 Ca 0.69 1.59 0.37 0.00 0.21 0.00 0.00 52.86 55.72 3gf7 s ASN 293 Cb -0.23 -2.54 2.02 0.00 -0.55 0.00 0.00 41.25 39.95 3gf7 s ASN 293 CO 0.27 -0.82 2.16 -0.07 -2.79 0.00 0.00 177.10 175.86 3gf7 h LEU 294 N 9.93 0.00 -1.59 3.21 3.38 -1.94 -0.46 115.31 127.84 3gf7 h LEU 294 Ca -0.26 0.00 0.26 0.00 0.09 0.00 0.00 57.88 57.97 3gf7 h LEU 294 Cb 1.10 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.78 3gf7 h LEU 294 CO 0.98 0.00 0.67 -0.08 0.09 0.00 0.00 178.44 180.10 3gf7 h GLU 295 N 0.00 0.27 -0.96 1.13 4.57 -1.95 0.37 114.58 118.01 3gf7 h GLU 295 Ca 0.01 -0.02 0.14 0.00 -1.18 0.00 0.00 59.36 58.32 3gf7 h GLU 295 Cb 0.32 -0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 28.77 3gf7 h GLU 295 CO -0.00 0.18 0.61 0.35 -1.18 0.00 0.00 179.01 178.97 3gf7 h PHE 296 N 0.28 0.99 0.00 0.92 3.57 -1.48 -2.82 116.94 118.41 3gf7 h PHE 296 Ca 0.53 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.06 3gf7 h PHE 296 Cb 1.56 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.98 3gf7 h PHE 296 CO -0.00 0.35 -1.24 1.19 -2.23 0.00 0.00 178.31 176.38 3gf7 n PHE 297 N -4.61 0.00 -1.88 0.41 3.01 0.06 -4.97 117.46 109.48 3gf7 n PHE 297 Ca 0.19 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.26 3gf7 n PHE 297 Cb 0.44 -0.13 0.02 0.00 -0.01 0.00 0.00 39.48 39.81 3gf7 n PHE 297 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3gf7 s ARG 298 N -3.10 3.44 0.00 -1.08 0.52 -0.86 -4.58 118.95 113.28 3gf7 s ARG 298 Ca 0.04 2.21 0.10 0.00 -0.52 0.00 0.00 55.73 57.56 3gf7 s ARG 298 Cb 0.15 -2.43 0.13 0.00 0.52 0.00 0.00 34.95 33.32 3gf7 s ARG 298 CO 0.87 -0.94 0.92 1.33 0.02 0.00 0.00 175.30 177.49 3gf7 n VAL 299 N -0.63 0.21 -3.53 3.52 0.24 0.18 -4.72 118.33 113.58 3gf7 n VAL 299 Ca 0.08 -0.60 -0.08 0.00 -2.04 0.00 0.00 64.34 61.70 3gf7 n VAL 299 Cb 0.44 1.07 -0.03 0.00 -1.47 0.00 0.00 33.84 33.86 3gf7 n VAL 299 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3gf7 s ASP 300 N -0.91 -0.33 0.24 -1.34 -1.08 -1.23 -4.67 116.67 107.36 3gf7 s ASP 300 Ca 0.14 0.08 -0.31 0.00 -0.52 0.00 0.00 52.55 51.94 3gf7 s ASP 300 Cb 0.09 0.33 -0.13 0.00 -1.46 0.00 0.00 42.92 41.75 3gf7 s ASP 300 CO 0.14 -0.50 1.56 0.41 0.52 0.00 0.00 175.17 177.30 3gf7 n THR 301 N -0.02 0.67 -1.66 1.71 -1.04 -1.26 -4.28 114.28 108.40 3gf7 n THR 301 Ca -0.07 -0.17 -0.46 0.00 -2.04 0.00 0.00 64.05 61.31 3gf7 n THR 301 Cb 0.60 -1.75 -0.03 0.00 -1.82 0.00 0.00 70.33 67.33 3gf7 n THR 301 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3gf7 n PRO 302 N 2.61 1.92 -4.18 -2.82 -0.02 -1.26 -4.43 135.00 126.82 3gf7 n PRO 302 Ca 0.12 0.69 -0.17 0.00 -2.02 0.00 0.00 63.50 62.11 3gf7 n PRO 302 Cb 0.33 -2.34 -0.15 0.00 -0.02 0.00 0.00 33.50 31.33 3gf7 n PRO 302 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3gf7 s LYS 303 N -0.19 0.56 0.74 -0.52 1.02 -1.26 -4.90 119.74 115.18 3gf7 s LYS 303 Ca 0.71 -0.17 -0.15 0.00 0.02 0.00 0.00 55.97 56.38 3gf7 s LYS 303 Cb -0.69 -0.56 0.04 0.00 -0.52 0.00 0.00 37.83 36.11 3gf7 s LYS 303 CO 0.48 0.07 1.20 0.00 -0.92 0.00 0.00 175.35 176.18 3gf7 s ALA 304 N 0.18 2.10 0.78 5.17 0.00 -1.26 -3.05 121.76 125.69 3gf7 s ALA 304 Ca -0.02 0.87 -0.14 0.00 0.00 0.00 0.00 51.96 52.67 3gf7 s ALA 304 Cb -0.06 -3.47 0.06 0.00 0.00 0.00 0.00 23.12 19.65 3gf7 s ALA 304 CO -0.00 -1.90 1.13 -2.30 0.00 0.00 0.00 175.76 172.69 3gf7 n PRO 305 N -2.76 0.30 0.15 0.00 -0.02 -1.26 -1.33 135.00 130.09 3gf7 n PRO 305 Ca 0.13 0.17 0.04 0.00 -2.02 0.00 0.00 63.50 61.83 3gf7 n PRO 305 Cb 0.50 -2.38 0.05 0.00 -0.02 0.00 0.00 33.50 31.65 3gf7 n PRO 305 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3gf7 h GLN 306 N -0.69 0.00 -6.22 -0.52 4.20 -1.80 -3.45 115.11 106.64 3gf7 h GLN 306 Ca -0.47 0.00 -0.68 0.00 0.06 0.00 0.00 58.65 57.56 3gf7 h GLN 306 Cb 1.31 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 28.90 3gf7 h GLN 306 CO 0.46 0.39 -0.71 -0.51 -0.67 0.00 0.00 178.83 177.80 3gf7 s LEU 307 N -6.38 3.10 0.39 1.46 2.01 -1.26 -5.05 118.68 112.96 3gf7 s LEU 307 Ca 0.04 -0.09 -0.25 0.00 0.01 0.00 0.00 54.13 53.85 3gf7 s LEU 307 Cb 0.07 -1.71 -0.09 0.00 0.01 0.00 0.00 46.19 44.47 3gf7 s LEU 307 CO 0.73 0.33 1.08 -2.16 1.01 0.00 0.00 176.35 177.35 3gf7 s PRO 308 N -1.00 4.18 0.42 1.29 0.04 -1.26 -4.60 135.00 134.07 3gf7 s PRO 308 Ca 0.14 1.61 0.17 0.00 0.04 0.00 0.00 61.00 62.96 3gf7 s PRO 308 Cb -0.11 -2.64 0.92 0.00 0.04 0.00 0.00 34.50 32.71 3gf7 s PRO 308 CO 0.03 -0.15 1.90 0.00 0.04 0.00 0.00 177.00 178.82 3gf7 h ALA 309 N 2.66 1.38 -0.18 8.56 0.00 -1.94 -2.96 119.26 126.79 3gf7 h ALA 309 Ca -0.48 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.22 3gf7 h ALA 309 Cb 1.22 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3gf7 h ALA 309 CO 0.63 0.36 0.20 1.49 0.00 0.00 0.00 179.25 181.93 3gf7 h GLU 310 N 0.00 0.00 0.00 0.00 4.57 -1.92 0.14 114.58 117.37 3gf7 h GLU 310 Ca -0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3gf7 h GLU 310 Cb 0.55 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 3gf7 h GLU 310 CO 0.04 0.00 -0.07 -0.44 -1.18 0.00 0.00 179.01 177.35 3gf7 h ASP 311 N 0.00 0.00 -0.36 1.04 3.32 -1.93 -2.74 116.42 115.76 3gf7 h ASP 311 Ca 0.09 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.19 3gf7 h ASP 311 Cb 0.49 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 3gf7 h ASP 311 CO -0.00 0.07 0.24 -0.07 -1.72 0.00 0.00 179.24 177.77 3gf7 h LEU 312 N 0.00 0.21 -2.63 1.55 3.38 -0.92 0.22 115.31 117.11 3gf7 h LEU 312 Ca -0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gf7 h LEU 312 Cb 0.30 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3gf7 h LEU 312 CO 0.01 0.14 -0.01 1.88 0.09 0.00 0.00 178.44 180.54 3gf7 h TYR 313 N 0.24 0.00 0.00 1.13 0.05 -1.66 -0.53 116.97 116.20 3gf7 h TYR 313 Ca 0.16 0.00 -0.37 0.00 0.05 0.00 0.00 58.73 58.57 3gf7 h TYR 313 Cb 0.33 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.00 3gf7 h TYR 313 CO -0.00 0.01 -2.39 0.43 -1.05 0.00 0.00 178.16 175.16 3gf7 n SER 314 N -3.40 1.41 0.03 3.88 7.64 0.47 -2.47 113.62 121.17 3gf7 n SER 314 Ca -0.03 -0.09 -0.13 0.00 1.01 0.00 0.00 58.87 59.64 3gf7 n SER 314 Cb 0.10 0.09 -0.09 0.00 -1.01 0.00 0.00 64.21 63.30 3gf7 n SER 314 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3gf7 h ILE 315 N 0.00 1.18 -3.54 0.44 2.04 -0.46 -3.42 117.51 113.75 3gf7 h ILE 315 Ca -0.55 -0.88 -0.58 0.00 1.00 0.00 0.00 64.86 63.86 3gf7 h ILE 315 Cb 1.98 1.75 -0.09 0.00 -0.74 0.00 0.00 36.82 39.72 3gf7 h ILE 315 CO -0.05 0.22 0.76 -0.63 0.00 0.00 0.00 178.15 178.45 3gf7 s ILE 316 N -4.58 4.30 -0.06 -0.67 1.01 -0.23 -4.80 121.20 116.16 3gf7 s ILE 316 Ca -0.15 0.86 -0.30 0.00 0.00 0.00 0.00 60.65 61.06 3gf7 s ILE 316 Cb 0.02 -4.55 -0.03 0.00 0.01 0.00 0.00 42.46 37.91 3gf7 s ILE 316 CO 0.64 -1.02 1.10 -2.84 0.00 0.00 0.00 174.94 172.83 3gf7 s PRO 317 N 4.21 4.41 0.55 2.79 0.02 -1.26 -4.86 135.00 140.86 3gf7 s PRO 317 Ca 0.41 1.55 0.32 0.00 0.02 0.00 0.00 61.00 63.29 3gf7 s PRO 317 Cb -0.09 -3.52 1.58 0.00 0.02 0.00 0.00 34.50 32.49 3gf7 s PRO 317 CO 0.27 -0.34 2.10 0.52 -0.33 0.00 0.00 177.00 179.22 3gf7 h MET 318 N 7.20 0.00 -6.23 5.54 2.86 -1.93 -3.38 114.93 118.99 3gf7 h MET 318 Ca -0.34 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 56.77 3gf7 h MET 318 Cb 1.17 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.77 3gf7 h MET 318 CO 0.85 0.08 1.19 1.21 1.06 0.00 0.00 176.91 181.30 3gf7 s ASN 319 N -5.88 5.81 0.05 1.22 3.84 -1.26 -4.87 114.94 113.85 3gf7 s ASN 319 Ca -0.02 0.10 0.10 0.00 0.21 0.00 0.00 52.86 53.25 3gf7 s ASN 319 Cb 0.12 -2.54 0.45 0.00 -0.55 0.00 0.00 41.25 38.73 3gf7 s ASN 319 CO 0.55 -2.00 1.32 0.00 -2.79 0.00 0.00 177.10 174.17 3gf7 n GLN 320 N 9.08 0.03 0.13 0.43 1.13 -1.26 -1.20 117.38 125.73 3gf7 n GLN 320 Ca 0.13 0.41 0.12 0.00 -1.94 0.00 0.00 57.00 55.71 3gf7 n GLN 320 Cb 0.50 -1.58 0.04 0.00 0.11 0.00 0.00 30.24 29.31 3gf7 n GLN 320 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 3gf7 h LYS 321 N 0.00 0.00 -6.51 -1.09 1.57 -1.92 -3.46 116.57 105.16 3gf7 h LYS 321 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 3gf7 h LYS 321 Cb 0.13 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3gf7 h LYS 321 CO 0.00 0.00 0.28 1.03 -0.57 0.00 0.00 179.45 180.19 3gf7 s ARG 322 N -3.33 4.65 0.73 3.15 1.81 -0.34 -5.07 118.95 120.55 3gf7 s ARG 322 Ca 0.01 1.32 -0.07 0.00 -1.72 0.00 0.00 55.73 55.27 3gf7 s ARG 322 Cb 0.08 -3.35 0.08 0.00 -0.45 0.00 0.00 34.95 31.32 3gf7 s ARG 322 CO 0.76 0.31 1.04 -1.25 -0.68 0.00 0.00 175.30 175.48 3gf7 s PRO 323 N -0.28 1.96 0.21 3.54 0.04 -1.26 -4.83 135.00 134.38 3gf7 s PRO 323 Ca 0.43 -0.38 -0.15 0.00 0.04 0.00 0.00 61.00 60.94 3gf7 s PRO 323 Cb -0.23 -2.16 0.01 0.00 0.04 0.00 0.00 34.50 32.17 3gf7 s PRO 323 CO 0.28 -1.39 0.49 1.52 0.04 0.00 0.00 177.00 177.93 3gf7 s TYR 324 N -3.30 0.09 -0.48 0.56 -0.85 -1.26 -4.88 117.35 107.24 3gf7 s TYR 324 Ca 0.62 -0.45 -0.21 0.00 -0.52 0.00 0.00 57.07 56.52 3gf7 s TYR 324 Cb -0.09 0.29 0.04 0.00 0.38 0.00 0.00 41.96 42.57 3gf7 s TYR 324 CO 0.45 -0.93 0.69 0.34 -1.52 0.00 0.00 175.55 174.58 3gf7 s ASP 325 N -2.93 6.30 0.46 -0.18 2.15 -1.26 -4.12 116.67 117.09 3gf7 s ASP 325 Ca 0.14 -0.51 0.17 0.00 0.43 0.00 0.00 52.55 52.78 3gf7 s ASP 325 Cb -0.01 -2.33 1.13 0.00 -0.30 0.00 0.00 42.92 41.42 3gf7 s ASP 325 CO 0.01 -0.88 1.98 -0.29 -0.17 0.00 0.00 175.17 175.82 3gf7 h ILE 326 N 5.90 0.85 -0.41 4.11 6.09 -1.92 -0.49 117.51 131.63 3gf7 h ILE 326 Ca -0.26 -0.10 0.11 0.00 -1.37 0.00 0.00 64.86 63.24 3gf7 h ILE 326 Cb 1.09 0.53 -0.02 0.00 0.47 0.00 0.00 36.82 38.89 3gf7 h ILE 326 CO 0.94 0.05 0.30 1.88 -3.07 0.00 0.00 178.15 178.25 3gf7 h TYR 327 N 0.29 0.04 0.00 2.19 -1.99 -1.93 0.38 116.97 115.95 3gf7 h TYR 327 Ca 0.27 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.90 3gf7 h TYR 327 Cb 0.68 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.38 3gf7 h TYR 327 CO -0.00 0.02 -0.47 0.93 -0.00 0.00 0.00 178.16 178.64 3gf7 h GLU 328 N 0.03 0.00 0.01 4.88 4.39 -1.47 -0.67 114.58 121.76 3gf7 h GLU 328 Ca 0.20 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 3gf7 h GLU 328 Cb 0.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 3gf7 h GLU 328 CO -0.01 0.47 -0.01 0.28 -1.16 0.00 0.00 179.01 178.59 3gf7 h VAL 329 N 0.00 1.55 -0.63 3.13 2.07 -1.05 -3.24 116.25 118.09 3gf7 h VAL 329 Ca -0.00 -1.88 0.05 0.00 0.82 0.00 0.00 66.70 65.68 3gf7 h VAL 329 Cb 0.91 2.80 -0.04 0.00 -1.52 0.00 0.00 31.29 33.44 3gf7 h VAL 329 CO 0.06 0.47 0.42 0.40 0.02 0.00 0.00 177.57 178.94 3gf7 h ILE 330 N -0.85 1.04 0.00 4.57 2.04 -1.15 -0.41 117.51 122.75 3gf7 h ILE 330 Ca -0.00 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 3gf7 h ILE 330 Cb 0.79 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3gf7 h ILE 330 CO 0.00 0.12 -0.12 0.00 0.00 0.00 0.00 178.15 178.15 3gf7 h ALA 331 N 1.65 1.75 -0.01 1.87 0.00 -1.21 -2.70 119.26 120.60 3gf7 h ALA 331 Ca 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3gf7 h ALA 331 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3gf7 h ALA 331 CO -0.08 0.16 -0.48 0.54 0.00 0.00 0.00 179.25 179.39 3gf7 n ARG 332 N -4.32 0.93 -0.02 0.00 1.74 -0.19 -4.03 116.66 110.77 3gf7 n ARG 332 Ca -0.03 -0.72 0.03 0.00 -0.77 0.00 0.00 57.85 56.37 3gf7 n ARG 332 Cb 0.20 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 30.06 3gf7 n ARG 332 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3gf7 n LEU 333 N -0.41 0.00 -4.56 0.55 4.77 -1.03 -4.63 117.00 111.69 3gf7 n LEU 333 Ca 0.09 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.82 3gf7 n LEU 333 Cb 0.42 0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.49 3gf7 n LEU 333 CO 0.30 0.07 -0.41 -0.36 -1.33 0.00 0.00 177.39 175.65 3gf7 s PHE 334 N -2.68 2.56 0.16 -1.77 0.40 -1.04 -4.78 117.98 110.83 3gf7 s PHE 334 Ca -0.05 -0.25 -0.34 0.00 -0.60 0.00 0.00 56.93 55.69 3gf7 s PHE 334 Cb 0.06 -1.20 -0.14 0.00 0.51 0.00 0.00 43.02 42.25 3gf7 s PHE 334 CO 0.48 0.57 1.53 -0.25 0.70 0.00 0.00 175.22 178.25 3gf7 n ASP 335 N -0.27 2.84 -2.16 1.36 9.92 0.39 -2.55 116.55 126.08 3gf7 n ASP 335 Ca -0.09 1.09 -0.16 0.00 -0.53 0.00 0.00 54.79 55.10 3gf7 n ASP 335 Cb 0.57 -1.39 -0.02 0.00 -0.64 0.00 0.00 41.12 39.63 3gf7 n ASP 335 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3gf7 n ASN 336 N 3.16 -4.66 -2.74 -2.24 5.15 -0.44 -0.80 115.26 112.70 3gf7 n ASN 336 Ca 0.17 0.18 -0.07 0.00 -0.60 0.00 0.00 54.58 54.26 3gf7 n ASN 336 Cb 0.28 -3.99 -0.01 0.00 -0.53 0.00 0.00 39.78 35.52 3gf7 n ASN 336 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3gf7 n SER 337 N -1.60 -1.45 -4.85 1.20 7.64 -1.06 -4.53 113.62 108.97 3gf7 n SER 337 Ca -0.18 0.25 -0.33 0.00 1.01 0.00 0.00 58.87 59.62 3gf7 n SER 337 Cb 0.61 -1.35 -0.06 0.00 -1.01 0.00 0.00 64.21 62.41 3gf7 n SER 337 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3gf7 s GLU 338 N -5.28 3.99 -0.28 1.43 2.02 0.02 -1.20 118.70 119.41 3gf7 s GLU 338 Ca 0.10 0.60 -0.16 0.00 0.02 0.00 0.00 54.97 55.53 3gf7 s GLU 338 Cb -0.06 -2.57 0.10 0.00 0.10 0.00 0.00 34.13 31.70 3gf7 s GLU 338 CO 0.13 0.25 0.80 0.12 0.02 0.00 0.00 175.26 176.57 3gf7 s PHE 339 N -1.85 -0.88 -0.48 1.61 5.36 -0.35 -4.58 117.98 116.82 3gf7 s PHE 339 Ca 0.50 1.77 -0.01 0.00 -0.96 0.00 0.00 56.93 58.23 3gf7 s PHE 339 Cb -0.12 0.52 0.13 0.00 -0.34 0.00 0.00 43.02 43.21 3gf7 s PHE 339 CO 0.19 -0.43 0.26 0.45 -1.46 0.00 0.00 175.22 174.23 3gf7 s SER 340 N 1.47 5.08 0.18 6.13 0.15 0.90 -3.79 113.70 123.81 3gf7 s SER 340 Ca -0.09 -2.42 -0.30 0.00 0.70 0.00 0.00 55.95 53.84 3gf7 s SER 340 Cb -0.05 -1.79 -0.08 0.00 -1.71 0.00 0.00 66.02 62.40 3gf7 s SER 340 CO -0.17 -0.43 1.07 -0.70 1.20 0.00 0.00 173.24 174.21 3gf7 s GLU 341 N 0.57 4.62 -0.20 5.44 2.12 -1.26 -0.43 118.70 129.56 3gf7 s GLU 341 Ca 0.12 1.68 -0.19 0.00 0.36 0.00 0.00 54.97 56.94 3gf7 s GLU 341 Cb -0.22 -3.29 -0.03 0.00 0.26 0.00 0.00 34.13 30.85 3gf7 s GLU 341 CO -0.04 0.12 0.53 -0.47 -0.54 0.00 0.00 175.26 174.86 3gf7 s TYR 342 N -0.30 3.38 -1.41 5.30 5.04 0.21 -4.49 117.35 125.08 3gf7 s TYR 342 Ca 0.48 0.79 -0.04 0.00 -2.44 0.00 0.00 57.07 55.86 3gf7 s TYR 342 Cb -0.29 -2.68 0.03 0.00 0.35 0.00 0.00 41.96 39.37 3gf7 s TYR 342 CO 0.34 -0.10 0.68 1.63 -1.34 0.00 0.00 175.55 176.76 3gf7 n LYS 343 N 4.78 -4.47 -1.69 4.97 5.02 -1.26 -4.45 118.16 121.07 3gf7 n LYS 343 Ca -0.04 0.54 -0.45 0.00 -2.02 0.00 0.00 58.31 56.34 3gf7 n LYS 343 Cb 0.50 -5.05 -0.04 0.00 -0.02 0.00 0.00 35.03 30.43 3gf7 n LYS 343 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3gf7 n LYS 344 N -4.40 2.34 0.00 1.97 3.00 -1.26 -1.56 118.16 118.25 3gf7 n LYS 344 Ca -0.21 0.84 0.00 0.00 -0.00 0.00 0.00 58.31 58.94 3gf7 n LYS 344 Cb 0.64 -2.62 0.00 0.00 0.00 0.00 0.00 35.03 33.04 3gf7 n LYS 344 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3gf7 n GLY 345 N 3.40 3.16 3.69 3.14 0.00 -1.26 -5.03 105.19 112.29 3gf7 n GLY 345 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 3gf7 n GLY 345 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3gf7 s TYR 346 N -2.64 3.36 -0.99 1.61 5.04 -0.60 -4.40 117.35 118.72 3gf7 s TYR 346 Ca 0.00 0.32 -0.05 0.00 -2.44 0.00 0.00 57.07 54.90 3gf7 s TYR 346 Cb 0.00 -2.26 -0.06 0.00 0.35 0.00 0.00 41.96 39.99 3gf7 s TYR 346 CO 0.00 0.14 0.87 0.41 -1.34 0.00 0.00 175.55 175.63 3gf7 n GLY 347 N 3.95 -0.98 0.00 8.97 0.00 -1.26 -4.78 105.19 111.09 3gf7 n GLY 347 Ca -0.14 0.50 0.07 0.00 0.00 0.00 0.00 46.02 46.44 3gf7 n GLY 347 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gf7 n PRO 348 N -3.18 0.21 0.16 1.61 -0.04 -1.26 -1.34 135.00 131.14 3gf7 n PRO 348 Ca -0.08 0.15 0.13 0.00 -0.04 0.00 0.00 63.50 63.66 3gf7 n PRO 348 Cb 0.62 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 33.05 3gf7 n PRO 348 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3gf7 h GLU 349 N 0.00 0.00 -6.15 0.54 9.09 -1.89 -3.44 114.58 112.73 3gf7 h GLU 349 Ca 0.00 0.00 -0.57 0.00 0.05 0.00 0.00 59.36 58.84 3gf7 h GLU 349 Cb 0.13 0.00 -0.23 0.00 -1.65 0.00 0.00 28.75 27.00 3gf7 h GLU 349 CO 0.00 0.00 -0.83 -1.64 0.05 0.00 0.00 179.01 176.59 3gf7 s MET 350 N -3.31 1.23 -0.23 1.06 -1.94 -0.45 -1.20 119.30 114.46 3gf7 s MET 350 Ca 0.06 -1.08 -0.07 0.00 -1.71 0.00 0.00 55.69 52.89 3gf7 s MET 350 Cb 0.10 -1.44 -0.03 0.00 2.01 0.00 0.00 34.83 35.47 3gf7 s MET 350 CO 0.50 0.35 0.06 0.08 -0.01 0.00 0.00 175.02 175.99 3gf7 s VAL 351 N -1.02 4.35 -0.06 -6.03 1.01 0.10 -4.85 120.40 113.90 3gf7 s VAL 351 Ca 0.07 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 61.91 3gf7 s VAL 351 Cb -0.10 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.28 3gf7 s VAL 351 CO 0.03 0.38 -0.14 0.42 0.00 0.00 0.00 175.10 175.79 3gf7 s THR 352 N 1.27 1.24 -0.06 3.92 -4.23 -1.26 -0.57 115.64 115.96 3gf7 s THR 352 Ca 0.05 -0.57 -0.31 0.00 -1.18 0.00 0.00 61.69 59.68 3gf7 s THR 352 Cb -0.15 -1.10 0.12 0.00 1.34 0.00 0.00 72.50 72.71 3gf7 s THR 352 CO 0.03 0.37 1.35 -0.83 -0.54 0.00 0.00 174.62 175.01 3gf7 s GLY 353 N 0.39 -0.33 0.17 3.99 0.00 -0.70 0.64 107.32 111.48 3gf7 s GLY 353 Ca -0.10 0.50 -0.11 0.00 0.00 0.00 0.00 44.72 45.01 3gf7 s GLY 353 CO 0.03 2.93 0.52 1.08 0.00 0.00 0.00 173.10 177.66 3gf7 s LEU 354 N -3.40 4.26 0.31 0.66 1.43 0.42 -0.02 118.68 122.35 3gf7 s LEU 354 Ca 0.22 0.94 0.02 0.00 -1.03 0.00 0.00 54.13 54.27 3gf7 s LEU 354 Cb 0.03 -3.41 -0.02 0.00 0.03 0.00 0.00 46.19 42.83 3gf7 s LEU 354 CO -0.04 0.03 0.34 0.00 0.23 0.00 0.00 176.35 176.92 3gf7 s ALA 355 N -1.62 1.30 -0.00 4.21 0.00 -0.53 -0.07 121.76 125.05 3gf7 s ALA 355 Ca 0.41 -1.78 0.07 0.00 0.00 0.00 0.00 51.96 50.66 3gf7 s ALA 355 Cb -0.13 1.34 -0.02 0.00 0.00 0.00 0.00 23.12 24.31 3gf7 s ALA 355 CO 0.20 -0.71 -0.20 0.15 0.00 0.00 0.00 175.76 175.20 3gf7 s LYS 356 N -3.42 1.59 -0.17 0.00 1.02 -1.26 -1.54 119.74 115.97 3gf7 s LYS 356 Ca 0.36 -0.78 -0.01 0.00 0.02 0.00 0.00 55.97 55.56 3gf7 s LYS 356 Cb 0.02 -1.58 0.04 0.00 -0.52 0.00 0.00 37.83 35.80 3gf7 s LYS 356 CO 0.22 0.42 -0.04 0.08 -0.92 0.00 0.00 175.35 175.12 3gf7 s VAL 357 N -0.56 1.03 -1.57 3.17 1.01 0.54 -0.46 120.40 123.56 3gf7 s VAL 357 Ca 0.08 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 3gf7 s VAL 357 Cb -0.08 -1.24 0.06 0.00 0.00 0.00 0.00 36.38 35.11 3gf7 s VAL 357 CO -0.00 0.09 0.35 0.59 0.00 0.00 0.00 175.10 176.13 3gf7 n ASN 358 N 4.90 -0.55 0.00 3.32 3.02 -1.26 -0.25 115.26 124.43 3gf7 n ASN 358 Ca -0.11 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 3gf7 n ASN 358 Cb 0.48 -2.29 0.00 0.00 -0.61 0.00 0.00 39.78 37.35 3gf7 n ASN 358 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gf7 n GLY 359 N -1.99 2.43 3.85 7.41 0.00 -1.26 -4.42 105.19 111.20 3gf7 n GLY 359 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 3gf7 n GLY 359 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gf7 s LEU 360 N 0.00 4.40 0.03 0.99 1.43 0.65 -0.65 118.68 125.53 3gf7 s LEU 360 Ca 0.00 0.91 -0.30 0.00 -1.03 0.00 0.00 54.13 53.70 3gf7 s LEU 360 Cb 0.00 -2.88 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 3gf7 s LEU 360 CO 0.00 0.22 1.20 -0.76 0.23 0.00 0.00 176.35 177.24 3gf7 s LEU 361 N -1.60 4.34 0.13 1.79 1.43 -1.26 -0.34 118.68 123.17 3gf7 s LEU 361 Ca 0.30 1.96 0.06 0.00 -1.03 0.00 0.00 54.13 55.42 3gf7 s LEU 361 Cb -0.15 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 3gf7 s LEU 361 CO 0.16 -0.50 -0.14 0.68 0.23 0.00 0.00 176.35 176.78 3gf7 s VAL 362 N 1.42 1.36 -0.19 -1.59 -7.23 -0.59 -4.33 120.40 109.25 3gf7 s VAL 362 Ca 0.58 -1.74 -0.08 0.00 -1.81 0.00 0.00 61.98 58.93 3gf7 s VAL 362 Cb -0.28 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 3gf7 s VAL 362 CO 0.27 -0.42 0.09 -0.83 -0.31 0.00 0.00 175.10 173.90 3gf7 s GLY 363 N -2.49 1.95 -0.14 2.32 0.00 -0.17 -1.45 107.32 107.35 3gf7 s GLY 363 Ca 0.10 -0.74 -0.02 0.00 0.00 0.00 0.00 44.72 44.06 3gf7 s GLY 363 CO 0.03 0.10 -0.08 0.14 0.00 0.00 0.00 173.10 173.29 3gf7 s VAL 364 N 0.41 3.50 -0.19 1.40 1.01 0.97 -0.31 120.40 127.19 3gf7 s VAL 364 Ca 0.05 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.52 3gf7 s VAL 364 Cb -0.12 -2.50 0.05 0.00 0.00 0.00 0.00 36.38 33.81 3gf7 s VAL 364 CO -0.00 0.51 -0.06 -0.63 0.00 0.00 0.00 175.10 174.92 3gf7 s ILE 365 N 0.28 1.33 0.00 2.22 1.01 -0.44 -1.72 121.20 123.88 3gf7 s ILE 365 Ca -0.06 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.73 3gf7 s ILE 365 Cb -0.15 -1.52 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 3gf7 s ILE 365 CO 0.04 0.06 -0.06 0.00 0.00 0.00 0.00 174.94 174.99 3gf7 s ALA 366 N 1.52 0.46 0.43 9.38 0.00 0.27 -0.35 121.76 133.46 3gf7 s ALA 366 Ca -0.02 -0.31 -0.24 0.00 0.00 0.00 0.00 51.96 51.40 3gf7 s ALA 366 Cb -0.17 -0.09 -0.08 0.00 0.00 0.00 0.00 23.12 22.78 3gf7 s ALA 366 CO -0.07 0.09 1.17 -0.80 0.00 0.00 0.00 175.76 176.15 3gf7 s ASN 367 N -0.33 6.35 -0.16 0.00 0.01 -1.12 0.02 114.94 119.71 3gf7 s ASN 367 Ca 0.00 2.33 -0.12 0.00 -0.71 0.00 0.00 52.86 54.37 3gf7 s ASN 367 Cb -0.03 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 38.97 3gf7 s ASN 367 CO -0.00 -0.79 0.23 -0.69 -1.51 0.00 0.00 177.10 174.33 3gf7 s VAL 368 N -1.48 5.35 0.30 1.60 1.01 -0.34 -4.72 120.40 122.12 3gf7 s VAL 368 Ca 0.60 0.41 0.02 0.00 0.00 0.00 0.00 61.98 63.01 3gf7 s VAL 368 Cb -0.30 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 3gf7 s VAL 368 CO 0.37 0.45 0.47 -1.10 0.00 0.00 0.00 175.10 175.29 3gf7 s GLN 369 N 0.12 3.47 0.00 2.72 -1.52 -1.26 -1.47 119.66 121.72 3gf7 s GLN 369 Ca 0.14 -0.49 0.00 0.00 -1.95 0.00 0.00 55.36 53.06 3gf7 s GLN 369 Cb -0.12 -2.76 0.00 0.00 -0.22 0.00 0.00 33.01 29.91 3gf7 s GLN 369 CO 0.03 0.27 0.00 0.41 -0.25 0.00 0.00 175.29 175.75 3gf7 n GLY 370 N -1.57 2.30 3.77 3.09 0.00 -1.26 -4.76 105.19 106.76 3gf7 n GLY 370 Ca -0.06 -1.95 -0.38 0.00 0.00 0.00 0.00 46.02 43.63 3gf7 n GLY 370 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gf7 s LEU 371 N 0.00 4.28 -0.35 0.99 2.01 -1.26 -1.04 118.68 123.31 3gf7 s LEU 371 Ca 0.00 2.20 0.00 0.00 0.01 0.00 0.00 54.13 56.35 3gf7 s LEU 371 Cb 0.00 -3.96 0.09 0.00 0.01 0.00 0.00 46.19 42.33 3gf7 s LEU 371 CO 0.00 -0.44 0.07 -0.76 1.01 0.00 0.00 176.35 176.24 3gf7 s LEU 372 N -2.22 4.61 0.41 1.79 1.43 0.25 -4.91 118.68 120.03 3gf7 s LEU 372 Ca 0.53 -1.85 -0.26 0.00 -1.03 0.00 0.00 54.13 51.52 3gf7 s LEU 372 Cb -0.28 -1.71 -0.09 0.00 0.03 0.00 0.00 46.19 44.15 3gf7 s LEU 372 CO 0.35 -0.39 1.38 -0.04 0.23 0.00 0.00 176.35 177.88 3gf7 s MET 373 N 1.08 3.95 -1.43 1.70 -1.94 -1.26 0.05 119.30 121.45 3gf7 s MET 373 Ca 0.04 2.33 -0.04 0.00 -1.71 0.00 0.00 55.69 56.31 3gf7 s MET 373 Cb -0.21 -2.80 0.03 0.00 2.01 0.00 0.00 34.83 33.86 3gf7 s MET 373 CO -0.05 -0.57 0.61 -1.71 -0.01 0.00 0.00 175.02 173.29 3gf7 n ASN 374 N 0.17 -1.44 -3.82 3.03 5.15 -0.64 -4.87 115.26 112.83 3gf7 n ASN 374 Ca 0.03 -0.92 -0.12 0.00 -0.60 0.00 0.00 54.58 52.97 3gf7 n ASN 374 Cb 0.42 -3.42 -0.12 0.00 -0.53 0.00 0.00 39.78 36.13 3gf7 n ASN 374 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3gf7 s TYR 375 N -3.72 -0.15 0.65 1.20 5.04 -0.73 -4.63 117.35 115.01 3gf7 s TYR 375 Ca 0.17 0.35 0.00 0.00 -2.44 0.00 0.00 57.07 55.15 3gf7 s TYR 375 Cb -0.09 0.04 0.09 0.00 0.35 0.00 0.00 41.96 42.35 3gf7 s TYR 375 CO 0.86 -0.13 0.90 -1.25 -1.34 0.00 0.00 175.55 174.59 3gf7 s PRO 376 N -0.19 2.07 0.48 4.97 0.04 -1.26 -0.93 135.00 140.18 3gf7 s PRO 376 Ca -0.03 -0.98 0.30 0.00 0.04 0.00 0.00 61.00 60.33 3gf7 s PRO 376 Cb -0.02 -2.40 1.10 0.00 0.04 0.00 0.00 34.50 33.22 3gf7 s PRO 376 CO 0.01 -1.12 1.87 1.05 0.04 0.00 0.00 177.00 178.85 3gf7 h GLU 377 N -0.26 0.00 -0.04 4.56 9.09 -1.99 -2.91 114.58 123.03 3gf7 h GLU 377 Ca -0.39 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.02 3gf7 h GLU 377 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 3gf7 h GLU 377 CO 0.46 0.00 0.00 2.48 0.05 0.00 0.00 179.01 182.00 3gf7 n TYR 378 N -2.96 0.03 -4.30 2.06 0.18 -1.26 -4.85 117.16 106.06 3gf7 n TYR 378 Ca 0.02 -0.01 -0.25 0.00 1.88 0.00 0.00 57.90 59.53 3gf7 n TYR 378 Cb 0.35 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.22 3gf7 n TYR 378 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3gf7 s LYS 379 N -1.97 2.14 -0.09 -3.48 1.02 -1.10 -5.01 119.74 111.24 3gf7 s LYS 379 Ca 0.36 -1.37 -0.09 0.00 0.02 0.00 0.00 55.97 54.90 3gf7 s LYS 379 Cb 0.21 -2.14 -0.04 0.00 -0.52 0.00 0.00 37.83 35.34 3gf7 s LYS 379 CO 0.32 0.40 0.20 -0.65 -0.92 0.00 0.00 175.35 174.70 3gf7 s GLN 380 N -3.24 3.55 -1.16 1.68 -1.52 -1.26 -4.62 119.66 113.09 3gf7 s GLN 380 Ca 0.28 -0.01 -0.30 0.00 -1.95 0.00 0.00 55.36 53.39 3gf7 s GLN 380 Cb -0.07 -3.20 0.04 0.00 -0.22 0.00 0.00 33.01 29.56 3gf7 s GLN 380 CO 0.17 0.76 0.68 0.09 -0.25 0.00 0.00 175.29 176.74 3gf7 n ASN 381 N 1.93 -4.31 -4.36 5.90 5.03 -1.26 -4.94 115.26 113.25 3gf7 n ASN 381 Ca -0.19 -1.24 -0.22 0.00 0.87 0.00 0.00 54.58 53.80 3gf7 n ASN 381 Cb 0.54 -1.74 -0.11 0.00 -1.02 0.00 0.00 39.78 37.45 3gf7 n ASN 381 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3gf7 s SER 382 N -3.45 2.84 -0.11 6.41 0.15 -1.26 -5.03 113.70 113.26 3gf7 s SER 382 Ca 0.43 -0.92 0.03 0.00 0.70 0.00 0.00 55.95 56.18 3gf7 s SER 382 Cb -0.23 -0.18 -0.01 0.00 -1.71 0.00 0.00 66.02 63.89 3gf7 s SER 382 CO 0.96 -0.04 -0.21 -0.69 1.20 0.00 0.00 173.24 174.46 3gf7 s VAL 383 N -2.31 2.38 0.20 4.45 1.01 -1.18 -1.62 120.40 123.34 3gf7 s VAL 383 Ca 0.20 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 61.12 3gf7 s VAL 383 Cb -0.05 -1.94 -0.08 0.00 0.00 0.00 0.00 36.38 34.32 3gf7 s VAL 383 CO 0.08 0.55 0.62 -0.83 0.00 0.00 0.00 175.10 175.52 3gf7 s GLY 384 N 0.30 2.44 -0.27 4.51 0.00 0.11 -4.79 107.32 109.63 3gf7 s GLY 384 Ca -0.15 -0.06 -0.13 0.00 0.00 0.00 0.00 44.72 44.38 3gf7 s GLY 384 CO 0.08 0.20 0.26 -0.42 0.00 0.00 0.00 173.10 173.21 3gf7 s ILE 385 N -1.62 5.26 0.41 0.90 -1.09 -1.26 0.86 121.20 124.66 3gf7 s ILE 385 Ca 0.43 0.34 -0.27 0.00 -2.23 0.00 0.00 60.65 58.93 3gf7 s ILE 385 Cb -0.14 -3.60 -0.09 0.00 -1.58 0.00 0.00 42.46 37.05 3gf7 s ILE 385 CO 0.20 0.23 1.42 -0.83 -1.23 0.00 0.00 174.94 174.72 3gf7 s GLY 386 N 1.60 2.94 0.00 6.18 0.00 -0.21 -2.02 107.32 115.80 3gf7 s GLY 386 Ca 0.11 1.45 0.00 0.00 0.00 0.00 0.00 44.72 46.27 3gf7 s GLY 386 CO 0.10 2.08 0.00 0.61 0.00 0.00 0.00 173.10 175.89 3gf7 n GLY 387 N 0.57 0.82 3.83 0.20 0.00 -0.54 -4.54 105.19 105.54 3gf7 n GLY 387 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 3gf7 n GLY 387 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gf7 s LYS 388 N -0.89 2.97 -0.12 1.61 1.02 -0.86 0.04 119.74 123.51 3gf7 s LYS 388 Ca 0.00 -0.95 -0.02 0.00 0.02 0.00 0.00 55.97 55.01 3gf7 s LYS 388 Cb 0.00 -2.63 -0.03 0.00 -0.52 0.00 0.00 37.83 34.65 3gf7 s LYS 388 CO 0.00 0.44 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.33 3gf7 s LEU 389 N -3.56 3.33 0.00 3.17 1.43 0.72 -4.87 118.68 118.90 3gf7 s LEU 389 Ca 0.32 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 3gf7 s LEU 389 Cb -0.09 -1.78 -0.00 0.00 0.03 0.00 0.00 46.19 44.35 3gf7 s LEU 389 CO 0.25 0.26 0.03 -1.22 0.23 0.00 0.00 176.35 175.89 3gf7 n TYR 390 N 2.93 0.43 0.02 0.29 4.02 -1.26 -0.67 117.16 122.91 3gf7 n TYR 390 Ca -0.18 -1.32 -0.12 0.00 -0.01 0.00 0.00 57.90 56.28 3gf7 n TYR 390 Cb 0.53 -0.12 -0.07 0.00 -0.02 0.00 0.00 39.34 39.66 3gf7 n TYR 390 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 3gf7 h ARG 391 N 0.00 0.03 -0.23 -0.72 2.43 -1.96 -2.51 114.38 111.43 3gf7 h ARG 391 Ca -0.20 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.93 3gf7 h ARG 391 Cb 0.65 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 3gf7 h ARG 391 CO 0.33 0.11 -0.02 1.96 -1.51 0.00 0.00 179.97 180.84 3gf7 h GLN 392 N -0.06 0.41 -0.82 0.20 4.20 -1.96 -1.30 115.11 115.78 3gf7 h GLN 392 Ca 0.01 -0.14 0.05 0.00 0.06 0.00 0.00 58.65 58.63 3gf7 h GLN 392 Cb 0.09 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.78 3gf7 h GLN 392 CO -0.00 0.61 0.51 0.78 -0.67 0.00 0.00 178.83 180.06 3gf7 h GLY 393 N 0.17 1.22 0.88 3.46 0.00 -1.77 0.54 103.07 107.57 3gf7 h GLY 393 Ca 0.06 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 3gf7 h GLY 393 CO 0.01 0.27 0.04 1.41 0.00 0.00 0.00 176.54 178.27 3gf7 h LEU 394 N 0.95 0.11 -0.25 3.11 3.38 -1.21 0.17 115.31 121.57 3gf7 h LEU 394 Ca 0.35 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3gf7 h LEU 394 Cb 0.13 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3gf7 h LEU 394 CO -0.16 0.22 0.11 0.40 0.09 0.00 0.00 178.44 179.10 3gf7 h ILE 395 N 0.00 1.16 -0.79 1.22 2.04 -1.03 0.12 117.51 120.24 3gf7 h ILE 395 Ca 0.03 -0.48 0.08 0.00 1.00 0.00 0.00 64.86 65.48 3gf7 h ILE 395 Cb 0.14 1.01 -0.07 0.00 -0.74 0.00 0.00 36.82 37.17 3gf7 h ILE 395 CO -0.00 0.16 0.45 0.50 0.00 0.00 0.00 178.15 179.27 3gf7 h LYS 396 N 0.27 0.77 -0.18 2.37 3.64 0.22 -0.43 116.57 123.23 3gf7 h LYS 396 Ca 0.09 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 3gf7 h LYS 396 Cb 0.16 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3gf7 h LYS 396 CO -0.01 0.51 -0.06 0.52 -2.27 0.00 0.00 179.45 178.14 3gf7 h MET 397 N 0.80 0.35 -0.66 1.90 2.86 -0.38 -0.67 114.93 119.13 3gf7 h MET 397 Ca 0.37 -0.14 0.13 0.00 -2.06 0.00 0.00 59.70 57.99 3gf7 h MET 397 Cb 0.28 -0.02 -0.12 0.00 0.06 0.00 0.00 31.60 31.80 3gf7 h MET 397 CO -0.22 0.63 -0.17 -0.91 1.06 0.00 0.00 176.91 177.31 3gf7 h ASN 398 N 0.05 -0.62 -0.27 1.22 2.35 -0.26 0.40 115.58 118.45 3gf7 h ASN 398 Ca 0.04 0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.96 3gf7 h ASN 398 Cb 0.51 0.41 -0.01 0.00 0.05 0.00 0.00 38.32 39.28 3gf7 h ASN 398 CO 0.02 -0.22 0.04 -0.33 -1.65 0.00 0.00 177.43 175.29 3gf7 h GLU 399 N -0.00 0.45 -0.31 0.81 5.08 -0.97 -2.24 114.58 117.39 3gf7 h GLU 399 Ca 0.31 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 3gf7 h GLU 399 Cb 0.48 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3gf7 h GLU 399 CO -0.68 0.57 0.07 0.35 -1.00 0.00 0.00 179.01 178.32 3gf7 h PHE 400 N 0.26 0.53 -0.39 4.33 3.57 -0.62 0.24 116.94 124.87 3gf7 h PHE 400 Ca 0.08 -0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.57 3gf7 h PHE 400 Cb 0.33 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.88 3gf7 h PHE 400 CO 0.02 0.56 0.12 0.28 -2.23 0.00 0.00 178.31 177.06 3gf7 h VAL 401 N 0.34 0.86 -0.63 1.41 2.07 -0.97 0.19 116.25 119.52 3gf7 h VAL 401 Ca 0.10 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3gf7 h VAL 401 Cb 0.31 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3gf7 h VAL 401 CO 0.00 0.05 0.23 0.74 0.02 0.00 0.00 177.57 178.61 3gf7 h THR 402 N 0.27 1.24 -0.17 2.57 2.02 -1.07 0.59 112.91 118.36 3gf7 h THR 402 Ca 0.18 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 3gf7 h THR 402 Cb 0.18 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3gf7 h THR 402 CO -0.20 0.31 0.08 -0.07 0.37 0.00 0.00 175.52 176.00 3gf7 h LEU 403 N 0.90 0.23 -0.70 2.58 3.38 -0.18 -1.74 115.31 119.78 3gf7 h LEU 403 Ca 0.21 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3gf7 h LEU 403 Cb 0.25 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3gf7 h LEU 403 CO -0.01 0.31 0.21 0.00 0.09 0.00 0.00 178.44 179.03 3gf7 h ALA 405 N 1.10 -0.21 -0.50 0.00 0.00 0.28 0.32 119.26 120.25 3gf7 h ALA 405 Ca 0.22 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.21 3gf7 h ALA 405 Cb 0.32 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3gf7 h ALA 405 CO -0.00 -0.71 0.33 -0.09 0.00 0.00 0.00 179.25 178.78 3gf7 h ARG 406 N -0.30 0.60 -0.01 0.00 2.43 -1.09 -2.29 114.38 113.72 3gf7 h ARG 406 Ca 0.12 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3gf7 h ARG 406 Cb 0.49 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3gf7 h ARG 406 CO -0.37 0.39 -0.20 -0.25 -1.51 0.00 0.00 179.97 178.03 3gf7 n ASP 407 N -4.47 1.09 -2.21 -3.80 8.00 -0.50 -4.79 116.55 109.86 3gf7 n ASP 407 Ca 0.05 -0.99 -0.18 0.00 0.71 0.00 0.00 54.79 54.38 3gf7 n ASP 407 Cb 0.10 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 3gf7 n ASP 407 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3gf7 n ARG 408 N -0.51 -2.21 -3.32 -1.24 3.00 0.96 -4.19 116.66 109.15 3gf7 n ARG 408 Ca 0.14 0.85 -0.40 0.00 -0.01 0.00 0.00 57.85 58.43 3gf7 n ARG 408 Cb 0.35 -5.38 -0.08 0.00 0.00 0.00 0.00 32.46 27.35 3gf7 n ARG 408 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3gf7 s ILE 409 N -2.95 5.12 0.58 0.55 1.01 -0.23 -4.90 121.20 120.38 3gf7 s ILE 409 Ca 0.07 0.64 -0.19 0.00 0.00 0.00 0.00 60.65 61.17 3gf7 s ILE 409 Cb -0.03 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 3gf7 s ILE 409 CO 0.09 0.09 1.18 -2.16 0.00 0.00 0.00 174.94 174.14 3gf7 s PRO 410 N 2.18 3.06 -0.15 2.79 0.04 -1.26 -4.52 135.00 137.14 3gf7 s PRO 410 Ca 0.17 1.73 -0.06 0.00 0.04 0.00 0.00 61.00 62.89 3gf7 s PRO 410 Cb -0.16 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 3gf7 s PRO 410 CO 0.10 -1.11 0.06 -0.51 0.04 0.00 0.00 177.00 175.57 3gf7 s LEU 411 N -4.06 3.83 -0.20 -3.56 1.43 -1.24 -0.99 118.68 113.89 3gf7 s LEU 411 Ca 0.75 0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.99 3gf7 s LEU 411 Cb -0.28 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.00 3gf7 s LEU 411 CO 0.32 0.26 -0.11 -0.63 0.23 0.00 0.00 176.35 176.42 3gf7 s ILE 412 N -0.16 2.88 -0.20 -0.59 1.01 0.57 -1.26 121.20 123.45 3gf7 s ILE 412 Ca 0.07 -0.67 -0.08 0.00 0.00 0.00 0.00 60.65 59.97 3gf7 s ILE 412 Cb -0.12 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 3gf7 s ILE 412 CO 0.01 0.47 0.09 0.26 0.00 0.00 0.00 174.94 175.78 3gf7 s TRP 413 N 1.32 3.26 -0.43 3.97 0.52 0.50 -1.33 118.94 126.75 3gf7 s TRP 413 Ca 0.04 0.08 -0.07 0.00 0.02 0.00 0.00 56.10 56.18 3gf7 s TRP 413 Cb -0.14 -2.15 0.10 0.00 -1.15 0.00 0.00 33.47 30.14 3gf7 s TRP 413 CO -0.06 0.10 0.26 -0.51 0.02 0.00 0.00 176.95 176.75 3gf7 s LEU 414 N 0.65 5.31 -0.13 2.99 1.43 0.52 0.73 118.68 130.19 3gf7 s LEU 414 Ca 0.05 -1.81 -0.19 0.00 -1.03 0.00 0.00 54.13 51.15 3gf7 s LEU 414 Cb -0.13 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 3gf7 s LEU 414 CO 0.01 -0.58 0.50 -1.10 0.23 0.00 0.00 176.35 175.42 3gf7 s GLN 415 N 1.30 4.32 -0.38 1.70 -0.21 0.91 -2.81 119.66 124.49 3gf7 s GLN 415 Ca 0.05 0.48 0.03 0.00 0.02 0.00 0.00 55.36 55.94 3gf7 s GLN 415 Cb -0.24 -3.46 0.16 0.00 1.00 0.00 0.00 33.01 30.47 3gf7 s GLN 415 CO -0.01 0.10 0.35 0.34 -2.12 0.00 0.00 175.29 173.94 3gf7 s ASP 416 N 0.73 1.50 0.03 5.90 -1.08 -1.25 0.45 116.67 122.96 3gf7 s ASP 416 Ca 0.27 -2.01 0.03 0.00 -0.52 0.00 0.00 52.55 50.32 3gf7 s ASP 416 Cb -0.15 0.23 -0.02 0.00 -1.46 0.00 0.00 42.92 41.52 3gf7 s ASP 416 CO 0.11 -0.24 -0.11 0.28 0.52 0.00 0.00 175.17 175.73 3gf7 s THR 417 N 1.06 0.81 -0.20 1.71 -1.32 0.13 -4.34 115.64 113.50 3gf7 s THR 417 Ca 0.21 -0.91 0.02 0.00 -1.21 0.00 0.00 61.69 59.80 3gf7 s THR 417 Cb -0.13 -0.77 0.04 0.00 -1.51 0.00 0.00 72.50 70.12 3gf7 s THR 417 CO -0.04 -0.11 0.84 0.35 -2.21 0.00 0.00 174.62 173.45 3gf7 n THR 418 N 1.90 0.58 0.00 5.08 -2.24 0.11 -3.39 114.28 116.32 3gf7 n THR 418 Ca -0.19 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 3gf7 n THR 418 Cb 0.55 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 3gf7 n THR 418 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gf7 n GLY 419 N -0.14 0.40 3.90 3.38 0.00 -1.19 -4.79 105.19 106.74 3gf7 n GLY 419 Ca 0.02 -2.26 -0.34 0.00 0.00 0.00 0.00 46.02 43.43 3gf7 n GLY 419 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gf7 s ILE 420 N -0.36 5.40 0.35 -0.61 1.01 -1.26 -0.20 121.20 125.52 3gf7 s ILE 420 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 60.65 60.36 3gf7 s ILE 420 Cb 0.00 -3.54 -0.12 0.00 0.01 0.00 0.00 42.46 38.81 3gf7 s ILE 420 CO 0.00 0.36 1.13 -0.67 0.00 0.00 0.00 174.94 175.76 3gf7 n ASP 421 N 1.07 1.92 -4.73 3.58 2.03 0.15 -4.80 116.55 115.78 3gf7 n ASP 421 Ca -0.12 1.15 -0.25 0.00 0.52 0.00 0.00 54.79 56.09 3gf7 n ASP 421 Cb 0.53 -1.39 -0.08 0.00 -0.72 0.00 0.00 41.12 39.46 3gf7 n ASP 421 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3gf7 s VAL 422 N -1.14 2.28 0.00 5.18 -7.23 -1.26 -4.83 120.40 113.40 3gf7 s VAL 422 Ca 0.59 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 3gf7 s VAL 422 Cb -0.60 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 33.34 3gf7 s VAL 422 CO 0.60 -0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.00 3gf7 n GLY 423 N -1.21 1.79 0.24 2.32 0.00 -1.26 -4.32 105.19 102.75 3gf7 n GLY 423 Ca -0.01 -1.97 0.16 0.00 0.00 0.00 0.00 46.02 44.20 3gf7 n GLY 423 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gf7 h ASP 424 N 0.00 0.00 0.02 1.61 3.32 -1.98 -0.02 116.42 119.36 3gf7 h ASP 424 Ca 0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 3gf7 h ASP 424 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.56 3gf7 h ASP 424 CO 0.00 0.00 -0.85 -0.33 -1.72 0.00 0.00 179.24 176.34 3gf7 h GLU 425 N 0.00 0.66 -0.57 3.56 5.08 -1.96 -0.22 114.58 121.13 3gf7 h GLU 425 Ca 0.00 -0.59 -0.06 0.00 -1.00 0.00 0.00 59.36 57.71 3gf7 h GLU 425 Cb 0.46 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3gf7 h GLU 425 CO 0.00 1.20 0.13 0.00 -1.00 0.00 0.00 179.01 179.34 3gf7 h ALA 426 N 0.62 0.75 -0.46 3.43 0.00 -1.52 -1.76 119.26 120.33 3gf7 h ALA 426 Ca -0.07 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3gf7 h ALA 426 Cb 1.47 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 3gf7 h ALA 426 CO 0.16 0.47 0.12 0.93 0.00 0.00 0.00 179.25 180.93 3gf7 h GLU 427 N 0.82 0.73 0.00 0.00 4.39 -0.96 -2.05 114.58 117.50 3gf7 h GLU 427 Ca 0.18 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3gf7 h GLU 427 Cb 0.36 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3gf7 h GLU 427 CO 0.00 0.72 -0.19 0.87 -1.16 0.00 0.00 179.01 179.25 3gf7 h LYS 428 N 0.61 0.00 0.00 2.33 1.57 -1.01 -1.31 116.57 118.76 3gf7 h LYS 428 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3gf7 h LYS 428 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3gf7 h LYS 428 CO 0.00 0.19 0.00 0.00 -0.57 0.00 0.00 179.45 179.07 3gf7 n ALA 429 N -2.43 2.50 -1.14 3.86 0.00 -0.66 -4.88 120.51 117.76 3gf7 n ALA 429 Ca -0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 53.44 53.31 3gf7 n ALA 429 Cb 0.27 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 3gf7 n ALA 429 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3gf7 n GLU 430 N -0.67 -0.65 -0.31 0.00 1.02 -0.49 -4.79 120.64 114.74 3gf7 n GLU 430 Ca 0.08 0.55 0.11 0.00 -0.02 0.00 0.00 57.16 57.87 3gf7 n GLU 430 Cb 0.03 -4.28 0.28 0.00 -0.02 0.00 0.00 31.44 27.45 3gf7 n GLU 430 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3gf7 h LEU 431 N 0.00 0.52 -0.20 -4.62 4.07 -1.55 0.14 115.31 113.66 3gf7 h LEU 431 Ca -0.10 0.12 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 3gf7 h LEU 431 Cb 0.47 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 3gf7 h LEU 431 CO 0.14 0.14 0.10 0.25 -1.08 0.00 0.00 178.44 178.00 3gf7 h LEU 432 N 0.57 0.25 -1.33 1.67 5.85 -1.87 -0.33 115.31 120.12 3gf7 h LEU 432 Ca 0.53 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 59.08 3gf7 h LEU 432 Cb 0.88 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 3gf7 h LEU 432 CO -0.43 0.28 -0.34 1.23 -0.34 0.00 0.00 178.44 178.85 3gf7 h GLY 433 N 0.21 0.00 1.54 3.75 0.00 -1.48 -2.36 103.07 104.72 3gf7 h GLY 433 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.14 3gf7 h GLY 433 CO -0.01 0.00 -1.15 1.41 0.00 0.00 0.00 176.54 176.79 3gf7 h LEU 434 N 0.00 0.54 -0.40 3.11 3.38 -0.52 0.98 115.31 122.40 3gf7 h LEU 434 Ca -0.00 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 3gf7 h LEU 434 Cb 0.60 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3gf7 h LEU 434 CO 0.04 1.35 0.21 1.23 0.09 0.00 0.00 178.44 181.36 3gf7 h GLY 435 N 1.24 0.60 1.56 0.83 0.00 -0.97 -1.41 103.07 104.92 3gf7 h GLY 435 Ca -0.13 -0.29 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 3gf7 h GLY 435 CO 0.20 0.27 -0.26 -1.61 0.00 0.00 0.00 176.54 175.14 3gf7 h GLN 436 N 0.51 0.51 -0.99 4.80 5.75 -1.42 -1.96 115.11 122.30 3gf7 h GLN 436 Ca 0.14 -0.20 0.01 0.00 -0.15 0.00 0.00 58.65 58.45 3gf7 h GLN 436 Cb 0.08 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.56 3gf7 h GLN 436 CO -0.02 0.72 0.66 0.77 -2.65 0.00 0.00 178.83 178.31 3gf7 h SER 437 N 0.45 1.14 -0.34 -0.69 0.02 -0.56 -0.29 113.55 113.29 3gf7 h SER 437 Ca 0.06 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3gf7 h SER 437 Cb 0.68 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 3gf7 h SER 437 CO 0.05 0.83 0.09 0.25 -1.14 0.00 0.00 176.83 176.91 3gf7 h LEU 438 N 1.35 0.51 -0.35 5.07 5.85 -0.84 0.26 115.31 127.16 3gf7 h LEU 438 Ca 0.36 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.93 3gf7 h LEU 438 Cb -0.15 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.68 3gf7 h LEU 438 CO -0.08 0.60 -0.10 0.40 -0.34 0.00 0.00 178.44 178.93 3gf7 h ILE 439 N 0.39 0.63 -0.46 4.05 2.04 -0.89 0.92 117.51 124.19 3gf7 h ILE 439 Ca 0.11 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.01 3gf7 h ILE 439 Cb 0.29 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 3gf7 h ILE 439 CO 0.00 0.00 0.22 0.22 0.00 0.00 0.00 178.15 178.59 3gf7 h TYR 440 N -0.01 0.40 -1.00 1.37 3.20 -0.63 0.67 116.97 120.97 3gf7 h TYR 440 Ca 0.17 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.10 3gf7 h TYR 440 Cb 0.27 -0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.37 3gf7 h TYR 440 CO -0.33 0.19 0.65 0.77 -1.64 0.00 0.00 178.16 177.81 3gf7 h SER 441 N 0.44 1.09 0.19 -2.11 0.02 0.22 0.25 113.55 113.64 3gf7 h SER 441 Ca 0.20 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 3gf7 h SER 441 Cb 0.13 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.42 3gf7 h SER 441 CO -0.16 0.74 -0.09 0.40 -1.14 0.00 0.00 176.83 176.59 3gf7 h ILE 442 N 1.26 0.92 -0.93 3.27 2.04 -0.26 -2.00 117.51 121.81 3gf7 h ILE 442 Ca 0.40 -0.82 0.15 0.00 1.00 0.00 0.00 64.86 65.59 3gf7 h ILE 442 Cb 0.01 1.38 -0.08 0.00 -0.74 0.00 0.00 36.82 37.39 3gf7 h ILE 442 CO -0.13 0.18 0.59 -0.08 0.00 0.00 0.00 178.15 178.71 3gf7 h GLU 443 N -0.67 0.71 0.00 2.37 4.57 -0.68 -0.13 114.58 120.76 3gf7 h GLU 443 Ca -0.03 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 3gf7 h GLU 443 Cb 0.48 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.91 3gf7 h GLU 443 CO 0.04 0.47 -0.04 -0.97 -1.18 0.00 0.00 179.01 177.33 3gf7 h ASN 444 N 0.73 0.00 -0.42 1.04 -1.24 -0.30 -3.28 115.58 112.10 3gf7 h ASN 444 Ca 0.48 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 57.36 3gf7 h ASN 444 Cb 0.75 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.78 3gf7 h ASN 444 CO -0.24 0.04 -0.24 0.77 -1.29 0.00 0.00 177.43 176.47 3gf7 h SER 445 N 0.00 0.97 -6.51 1.15 4.64 -0.24 -3.47 113.55 110.09 3gf7 h SER 445 Ca -0.00 -0.37 -0.51 0.00 -0.47 0.00 0.00 61.79 60.44 3gf7 h SER 445 Cb 0.52 -0.27 -0.11 0.00 -0.31 0.00 0.00 62.40 62.24 3gf7 h SER 445 CO 0.01 1.15 -0.80 0.29 -0.87 0.00 0.00 176.83 176.61 3gf7 n LYS 446 N -4.10 -4.34 -4.61 4.77 5.02 -1.24 -4.85 118.16 108.81 3gf7 n LYS 446 Ca -0.00 0.49 -0.27 0.00 -2.02 0.00 0.00 58.31 56.51 3gf7 n LYS 446 Cb 0.47 -5.25 -0.14 0.00 -0.02 0.00 0.00 35.03 30.08 3gf7 n LYS 446 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gf7 s LEU 447 N -7.24 2.21 0.31 -0.35 1.43 -1.26 -5.10 118.68 108.67 3gf7 s LEU 447 Ca 0.64 -0.59 -0.29 0.00 -1.03 0.00 0.00 54.13 52.86 3gf7 s LEU 447 Cb -0.34 -1.05 -0.11 0.00 0.03 0.00 0.00 46.19 44.73 3gf7 s LEU 447 CO 0.88 0.16 1.46 -2.16 0.23 0.00 0.00 176.35 176.92 3gf7 s PRO 448 N -1.42 4.21 0.02 1.29 0.04 -1.26 -4.68 135.00 133.20 3gf7 s PRO 448 Ca 0.09 2.42 0.02 0.00 0.04 0.00 0.00 61.00 63.57 3gf7 s PRO 448 Cb -0.09 -3.04 -0.01 0.00 0.04 0.00 0.00 34.50 31.39 3gf7 s PRO 448 CO 0.03 -0.45 -0.07 0.45 0.04 0.00 0.00 177.00 177.00 3gf7 s SER 449 N 0.06 0.84 -0.07 6.66 0.15 0.17 -3.71 113.70 117.80 3gf7 s SER 449 Ca 0.56 -0.29 -0.01 0.00 0.70 0.00 0.00 55.95 56.91 3gf7 s SER 449 Cb -0.44 -0.04 -0.03 0.00 -1.71 0.00 0.00 66.02 63.80 3gf7 s SER 449 CO 0.52 -0.03 -0.01 -0.22 1.20 0.00 0.00 173.24 174.70 3gf7 s LEU 450 N -0.73 3.48 -0.09 3.45 2.96 -0.39 -0.84 118.68 126.53 3gf7 s LEU 450 Ca -0.02 0.08 0.04 0.00 -0.22 0.00 0.00 54.13 54.01 3gf7 s LEU 450 Cb -0.05 -1.82 0.00 0.00 0.50 0.00 0.00 46.19 44.82 3gf7 s LEU 450 CO 0.00 0.36 -0.21 -0.70 -1.32 0.00 0.00 176.35 174.48 3gf7 s GLU 451 N -0.97 2.66 -0.22 1.98 -6.30 -1.22 -0.37 118.70 114.28 3gf7 s GLU 451 Ca 0.14 -0.76 0.01 0.00 -2.50 0.00 0.00 54.97 51.86 3gf7 s GLU 451 Cb -0.11 -2.06 0.05 0.00 0.00 0.00 0.00 34.13 32.00 3gf7 s GLU 451 CO 0.03 0.16 -0.11 0.42 0.02 0.00 0.00 175.26 175.78 3gf7 s ILE 452 N 0.37 1.83 -0.59 -3.70 1.01 0.22 -0.87 121.20 119.48 3gf7 s ILE 452 Ca -0.17 -1.19 -0.26 0.00 0.00 0.00 0.00 60.65 59.04 3gf7 s ILE 452 Cb -0.17 -1.89 0.04 0.00 0.01 0.00 0.00 42.46 40.44 3gf7 s ILE 452 CO 0.07 0.14 1.08 -0.89 0.00 0.00 0.00 174.94 175.35 3gf7 s THR 453 N 1.30 4.16 -0.01 2.92 2.01 0.13 -0.06 115.64 126.09 3gf7 s THR 453 Ca -0.03 0.52 -0.23 0.00 0.31 0.00 0.00 61.69 62.26 3gf7 s THR 453 Cb -0.17 -4.67 -0.15 0.00 0.01 0.00 0.00 72.50 67.52 3gf7 s THR 453 CO -0.08 -1.31 1.06 0.40 -0.69 0.00 0.00 174.62 174.01 3gf7 h ILE 454 N 6.08 0.61 0.00 1.82 1.08 -0.31 -2.09 117.51 124.70 3gf7 h ILE 454 Ca -0.26 -0.72 0.00 0.00 -0.39 0.00 0.00 64.86 63.49 3gf7 h ILE 454 Cb 1.06 0.94 0.00 0.00 -3.07 0.00 0.00 36.82 35.75 3gf7 h ILE 454 CO 1.15 0.12 0.00 0.54 -0.69 0.00 0.00 178.15 179.28 3gf7 n ARG 455 N -5.09 0.00 -3.23 2.37 1.74 -1.09 -3.64 116.66 107.72 3gf7 n ARG 455 Ca -0.09 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.60 3gf7 n ARG 455 Cb 0.27 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.64 3gf7 n ARG 455 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3gf7 s LYS 456 N 0.00 4.22 -0.41 5.56 1.02 -1.26 -0.03 119.74 128.84 3gf7 s LYS 456 Ca 0.00 0.46 -0.02 0.00 0.02 0.00 0.00 55.97 56.43 3gf7 s LYS 456 Cb 0.00 -3.55 0.11 0.00 -0.52 0.00 0.00 37.83 33.87 3gf7 s LYS 456 CO 0.00 -0.12 0.19 0.00 -0.92 0.00 0.00 175.35 174.50 3gf7 s ALA 457 N 1.53 3.14 0.05 5.17 0.00 0.22 0.21 121.76 132.09 3gf7 s ALA 457 Ca 0.25 -2.56 -0.02 0.00 0.00 0.00 0.00 51.96 49.63 3gf7 s ALA 457 Cb -0.15 -2.38 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 3gf7 s ALA 457 CO 0.10 -1.80 0.01 -1.54 0.00 0.00 0.00 175.76 172.53 3gf7 s SER 458 N 1.71 0.37 0.88 0.00 1.04 -1.22 -2.09 113.70 114.40 3gf7 s SER 458 Ca 0.09 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.69 3gf7 s SER 458 Cb -0.22 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.10 3gf7 s SER 458 CO -0.05 -0.56 0.00 0.00 0.98 0.00 0.00 173.24 173.61 3gf7 n ALA 459 N 0.38 0.00 0.26 5.32 0.00 -0.88 -2.48 120.51 123.11 3gf7 n ALA 459 Ca -0.16 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.38 3gf7 n ALA 459 Cb 0.60 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.75 3gf7 n ALA 459 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gf7 h ALA 460 N -0.88 1.77 -1.00 0.00 0.00 -1.95 -2.97 119.26 114.22 3gf7 h ALA 460 Ca 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3gf7 h ALA 460 Cb 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3gf7 h ALA 460 CO 0.00 0.05 0.65 0.00 0.00 0.00 0.00 179.25 179.95 3gf7 h ALA 461 N 1.96 1.39 -1.00 0.00 0.00 -1.88 -0.40 119.26 119.33 3gf7 h ALA 461 Ca -0.00 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.98 3gf7 h ALA 461 Cb 0.08 -0.32 -0.08 0.00 0.00 0.00 0.00 17.79 17.47 3gf7 h ALA 461 CO 0.01 0.47 0.64 1.25 0.00 0.00 0.00 179.25 181.62 3gf7 h HIS 462 N 1.20 1.17 0.31 0.00 2.76 -1.31 -1.08 115.15 118.20 3gf7 h HIS 462 Ca 0.42 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.61 3gf7 h HIS 462 Cb 0.12 -0.38 0.00 0.00 1.55 0.00 0.00 27.41 28.71 3gf7 h HIS 462 CO -0.00 0.53 -0.15 1.88 -1.30 0.00 0.00 177.93 178.89 3gf7 h TYR 463 N 1.07 -0.38 0.00 5.26 0.05 -1.24 -3.13 116.97 118.60 3gf7 h TYR 463 Ca 0.47 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.23 3gf7 h TYR 463 Cb 0.35 0.13 -0.00 0.00 1.01 0.00 0.00 36.73 38.21 3gf7 h TYR 463 CO -0.00 -0.05 -0.04 -0.39 -1.05 0.00 0.00 178.16 176.63 3gf7 h VAL 464 N -0.76 0.08 -0.75 -2.88 -1.51 -1.20 -0.98 116.25 108.24 3gf7 h VAL 464 Ca -0.04 -0.78 -0.72 0.00 -1.23 0.00 0.00 66.70 63.93 3gf7 h VAL 464 Cb 0.50 1.73 -0.07 0.00 -2.13 0.00 0.00 31.29 31.32 3gf7 h VAL 464 CO 0.07 0.04 2.92 0.18 -1.23 0.00 0.00 177.57 179.54 3gf7 n LEU 465 N -3.13 8.31 -4.01 4.19 4.77 -0.42 -4.60 117.00 122.11 3gf7 n LEU 465 Ca 0.02 -4.71 -0.31 0.00 -0.03 0.00 0.00 56.01 50.98 3gf7 n LEU 465 Cb 0.41 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.07 3gf7 n LEU 465 CO 0.30 2.07 -0.01 0.61 -1.33 0.00 0.00 177.39 179.03 3gf7 n GLY 466 N 2.37 -0.41 3.71 -0.72 0.00 -1.25 -4.88 105.19 104.00 3gf7 n GLY 466 Ca 0.68 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 46.56 3gf7 n GLY 466 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gf7 s GLY 467 N -3.58 1.63 0.00 -0.02 0.00 -0.37 -4.61 107.32 100.37 3gf7 s GLY 467 Ca 0.52 0.06 0.04 0.00 0.00 0.00 0.00 44.72 45.34 3gf7 s GLY 467 CO 0.87 0.53 0.93 -1.55 0.00 0.00 0.00 173.10 173.88 3gf7 n PRO 468 N -3.90 0.07 0.18 2.90 -0.04 -1.26 -2.25 135.00 130.69 3gf7 n PRO 468 Ca 0.08 0.21 0.13 0.00 -0.04 0.00 0.00 63.50 63.88 3gf7 n PRO 468 Cb 0.54 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.92 3gf7 n PRO 468 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3gf7 h GLN 469 N 0.00 0.00 -5.58 0.54 7.50 -1.90 -3.37 115.11 112.29 3gf7 h GLN 469 Ca 0.00 0.00 -0.66 0.00 0.50 0.00 0.00 58.65 58.49 3gf7 h GLN 469 Cb 0.03 0.00 -0.13 0.00 0.05 0.00 0.00 27.48 27.44 3gf7 h GLN 469 CO 0.00 0.00 1.48 0.20 -1.50 0.00 0.00 178.83 179.01 3gf7 s GLY 470 N -3.87 1.68 0.58 3.46 0.00 -0.95 -4.85 107.32 103.37 3gf7 s GLY 470 Ca 0.06 -2.70 0.37 0.00 0.00 0.00 0.00 44.72 42.45 3gf7 s GLY 470 CO 0.56 2.44 2.10 3.43 0.00 0.00 0.00 173.10 181.63 3gf7 h ASN 471 N 8.65 0.00 0.81 1.64 2.35 -1.88 -1.60 115.58 125.55 3gf7 h ASN 471 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 3gf7 h ASN 471 Cb 0.96 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.33 3gf7 h ASN 471 CO 1.33 0.00 -0.33 0.59 -1.65 0.00 0.00 177.43 177.37 3gf7 n ASN 472 N -3.07 0.42 0.03 5.81 3.02 -1.26 -4.72 115.26 115.49 3gf7 n ASN 472 Ca -0.01 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 3gf7 n ASN 472 Cb 0.23 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 3gf7 n ASN 472 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3gf7 n THR 473 N -1.69 0.33 -1.97 3.41 -2.24 -0.83 -4.79 114.28 106.50 3gf7 n THR 473 Ca 0.06 0.11 -0.43 0.00 -2.27 0.00 0.00 64.05 61.52 3gf7 n THR 473 Cb 0.37 -1.20 -0.03 0.00 -2.10 0.00 0.00 70.33 67.37 3gf7 n THR 473 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3gf7 s ASN 474 N -5.27 6.23 0.05 3.42 3.84 -0.66 -0.66 114.94 121.89 3gf7 s ASN 474 Ca 0.00 1.79 -0.19 0.00 0.21 0.00 0.00 52.86 54.68 3gf7 s ASN 474 Cb 0.00 -2.53 -0.15 0.00 -0.55 0.00 0.00 41.25 38.02 3gf7 s ASN 474 CO 0.00 -1.35 1.31 -0.37 -2.79 0.00 0.00 177.10 173.90 3gf7 h VAL 475 N 6.25 1.36 -2.30 -5.21 -1.51 -1.31 -3.46 116.25 110.06 3gf7 h VAL 475 Ca -0.37 -1.51 0.22 0.00 -1.23 0.00 0.00 66.70 63.81 3gf7 h VAL 475 Cb 1.18 1.96 -0.06 0.00 -2.13 0.00 0.00 31.29 32.24 3gf7 h VAL 475 CO 0.99 0.45 0.66 0.72 -1.23 0.00 0.00 177.57 179.16 3gf7 s PHE 476 N -4.07 0.02 0.05 5.19 -0.12 -1.26 -4.37 117.98 113.42 3gf7 s PHE 476 Ca -0.14 -0.32 0.04 0.00 -0.05 0.00 0.00 56.93 56.47 3gf7 s PHE 476 Cb 0.06 0.65 -0.02 0.00 -0.63 0.00 0.00 43.02 43.07 3gf7 s PHE 476 CO 0.79 -0.71 -0.13 -1.54 -0.05 0.00 0.00 175.22 173.58 3gf7 s SER 477 N -3.36 1.47 0.19 1.98 1.04 -1.26 -3.37 113.70 110.39 3gf7 s SER 477 Ca 0.21 -0.52 0.07 0.00 0.48 0.00 0.00 55.95 56.19 3gf7 s SER 477 Cb -0.01 -0.06 -0.05 0.00 0.10 0.00 0.00 66.02 66.00 3gf7 s SER 477 CO 0.03 -0.05 -0.13 0.27 0.98 0.00 0.00 173.24 174.34 3gf7 s ILE 478 N -1.07 1.58 0.05 -1.02 -4.36 -0.05 -1.02 121.20 115.31 3gf7 s ILE 478 Ca -0.02 -2.17 0.00 0.00 -0.26 0.00 0.00 60.65 58.20 3gf7 s ILE 478 Cb -0.09 -2.00 -0.03 0.00 1.25 0.00 0.00 42.46 41.59 3gf7 s ILE 478 CO 0.01 -0.63 -0.04 -0.83 0.24 0.00 0.00 174.94 173.70 3gf7 s GLY 479 N -3.28 0.44 0.62 6.27 0.00 -0.13 0.21 107.32 111.46 3gf7 s GLY 479 Ca 0.21 -0.96 -0.01 0.00 0.00 0.00 0.00 44.72 43.96 3gf7 s GLY 479 CO 0.05 -1.05 0.87 -0.51 0.00 0.00 0.00 173.10 172.47 3gf7 s THR 480 N -2.71 2.45 0.24 0.90 -4.23 -0.79 -0.68 115.64 110.82 3gf7 s THR 480 Ca -0.02 -0.58 0.36 0.00 -1.18 0.00 0.00 61.69 60.26 3gf7 s THR 480 Cb -0.01 -2.87 0.38 0.00 1.34 0.00 0.00 72.50 71.34 3gf7 s THR 480 CO -0.05 0.00 2.08 1.23 -0.54 0.00 0.00 174.62 177.34 3gf7 h GLY 481 N -0.21 0.00 -0.39 3.99 0.00 -1.88 -1.71 103.07 102.87 3gf7 h GLY 481 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3gf7 h GLY 481 CO 0.50 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.04 3gf7 n ALA 482 N -2.01 2.55 -1.92 3.60 0.00 -1.26 -4.82 120.51 116.65 3gf7 n ALA 482 Ca -0.01 -0.41 -0.31 0.00 0.00 0.00 0.00 53.44 52.72 3gf7 n ALA 482 Cb 0.16 -1.16 0.01 0.00 0.00 0.00 0.00 19.45 18.46 3gf7 n ALA 482 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gf7 s GLU 484 N -5.12 0.80 -0.16 0.00 -1.05 0.96 -3.98 118.70 110.15 3gf7 s GLU 484 Ca 0.54 1.02 0.02 0.00 -0.15 0.00 0.00 54.97 56.40 3gf7 s GLU 484 Cb -0.11 0.35 0.01 0.00 -0.44 0.00 0.00 34.13 33.95 3gf7 s GLU 484 CO 0.53 -0.11 -0.21 0.71 0.95 0.00 0.00 175.26 177.13 3gf7 s TYR 485 N 0.59 2.71 0.15 4.83 1.51 -1.15 -0.61 117.35 125.39 3gf7 s TYR 485 Ca -0.02 -1.44 -0.19 0.00 -1.01 0.00 0.00 57.07 54.41 3gf7 s TYR 485 Cb -0.05 -1.86 0.04 0.00 -0.11 0.00 0.00 41.96 39.99 3gf7 s TYR 485 CO -0.03 -0.68 0.49 1.52 -1.11 0.00 0.00 175.55 175.75 3gf7 s TYR 486 N 0.99 -0.28 0.19 2.71 1.13 -0.89 -4.35 117.35 116.85 3gf7 s TYR 486 Ca -0.03 -0.01 -0.09 0.00 -1.41 0.00 0.00 57.07 55.54 3gf7 s TYR 486 Cb -0.15 0.39 0.11 0.00 -1.10 0.00 0.00 41.96 41.21 3gf7 s TYR 486 CO -0.06 -0.80 1.71 -0.24 -2.51 0.00 0.00 175.55 173.65 3gf7 h VAL 487 N 2.21 1.26 -2.80 -3.49 3.04 -1.95 -3.11 116.25 111.41 3gf7 h VAL 487 Ca -0.33 -0.95 0.04 0.00 -1.01 0.00 0.00 66.70 64.45 3gf7 h VAL 487 Cb 1.27 0.54 -0.11 0.00 -2.01 0.00 0.00 31.29 30.99 3gf7 h VAL 487 CO 0.42 0.37 0.29 0.00 -1.01 0.00 0.00 177.57 177.63 3gf7 s MET 488 N -5.33 1.28 0.63 4.17 0.00 -1.26 -2.07 119.30 116.72 3gf7 s MET 488 Ca -0.12 -0.56 -0.19 0.00 0.00 0.00 0.00 55.69 54.83 3gf7 s MET 488 Cb 0.14 0.54 -0.02 0.00 0.00 0.00 0.00 34.83 35.49 3gf7 s MET 488 CO 0.84 -0.57 1.29 -2.30 0.00 0.00 0.00 175.02 174.28 3gf7 n PRO 489 N -0.38 1.19 -0.20 3.16 -0.02 -1.26 -4.77 135.00 132.72 3gf7 n PRO 489 Ca -0.12 0.46 -0.02 0.00 -2.02 0.00 0.00 63.50 61.81 3gf7 n PRO 489 Cb 0.63 -2.52 0.05 0.00 -0.02 0.00 0.00 33.50 31.64 3gf7 n PRO 489 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3gf7 h GLY 490 N 0.66 0.36 1.45 -1.23 0.00 -1.91 -1.56 103.07 100.83 3gf7 h GLY 490 Ca -0.51 0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 3gf7 h GLY 490 CO 0.53 -0.23 -0.01 -2.09 0.00 0.00 0.00 176.54 174.74 3gf7 h GLU 491 N -0.03 0.68 -0.33 4.80 4.81 -1.91 -0.07 114.58 122.53 3gf7 h GLU 491 Ca 0.29 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3gf7 h GLU 491 Cb 0.47 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 3gf7 h GLU 491 CO -0.64 0.70 0.18 1.15 -0.73 0.00 0.00 179.01 179.67 3gf7 h THR 492 N 0.64 1.14 -0.34 0.32 2.02 -1.68 0.14 112.91 115.15 3gf7 h THR 492 Ca 0.13 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 3gf7 h THR 492 Cb 0.41 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 3gf7 h THR 492 CO 0.02 0.14 0.07 0.00 0.37 0.00 0.00 175.52 176.12 3gf7 h ALA 493 N 1.05 0.45 0.27 6.16 0.00 -0.98 -1.10 119.26 125.12 3gf7 h ALA 493 Ca 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3gf7 h ALA 493 Cb 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3gf7 h ALA 493 CO -0.02 0.14 -0.13 0.00 0.00 0.00 0.00 179.25 179.24 3gf7 h ALA 494 N 0.91 -0.37 -0.02 0.00 0.00 -0.92 -1.21 119.26 117.65 3gf7 h ALA 494 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gf7 h ALA 494 Cb 0.33 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3gf7 h ALA 494 CO 0.00 -0.66 0.01 -0.91 0.00 0.00 0.00 179.25 177.69 3gf7 h ASN 495 N -0.45 0.00 0.00 0.00 4.21 -0.72 -2.03 115.58 116.58 3gf7 h ASN 495 Ca -0.04 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.45 3gf7 h ASN 495 Cb 0.34 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.54 3gf7 h ASN 495 CO 0.06 0.00 -0.09 0.00 -1.29 0.00 0.00 177.43 176.11 3gf7 h ALA 496 N 1.99 0.01 0.00 -0.83 0.00 -0.89 -2.58 119.26 116.96 3gf7 h ALA 496 Ca 0.01 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 3gf7 h ALA 496 Cb 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3gf7 h ALA 496 CO -0.00 -0.03 -0.44 1.98 0.00 0.00 0.00 179.25 180.75 3gf7 h MET 497 N -0.70 0.00 -0.01 0.00 1.85 -1.08 -3.32 114.93 111.68 3gf7 h MET 497 Ca -0.01 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 3gf7 h MET 497 Cb 0.88 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.91 3gf7 h MET 497 CO 0.02 0.44 -0.27 0.66 -0.40 0.00 0.00 176.91 177.37 3gf7 n TYR 498 N -3.29 0.00 -0.32 1.39 4.01 -0.78 -4.68 117.16 113.50 3gf7 n TYR 498 Ca 0.01 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.87 3gf7 n TYR 498 Cb 0.66 0.00 0.24 0.00 -0.31 0.00 0.00 39.34 39.93 3gf7 n TYR 498 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 3gf7 h SER 499 N 0.84 -0.45 0.00 7.72 0.02 -1.56 -1.44 113.55 118.69 3gf7 h SER 499 Ca 0.00 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3gf7 h SER 499 Cb 0.31 0.44 0.00 0.00 0.14 0.00 0.00 62.40 63.29 3gf7 h SER 499 CO 0.00 -0.29 0.00 0.54 -1.14 0.00 0.00 176.83 175.94 3gf7 n ARG 500 N -5.44 0.54 -0.52 3.45 3.00 -1.26 -3.64 116.66 112.78 3gf7 n ARG 500 Ca 0.20 0.00 0.04 0.00 -0.01 0.00 0.00 57.85 58.08 3gf7 n ARG 500 Cb 0.65 -1.23 0.24 0.00 0.00 0.00 0.00 32.46 32.12 3gf7 n ARG 500 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 3gf7 n LYS 501 N 1.09 3.27 -1.66 5.56 0.00 -0.54 -5.23 118.16 120.66 3gf7 n LYS 501 Ca 0.00 -1.84 -0.42 0.00 -0.00 0.00 0.00 58.31 56.04 3gf7 n LYS 501 Cb 0.27 -1.94 -0.01 0.00 -0.00 0.00 0.00 35.03 33.35 3gf7 n LYS 501 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3gf7 n LEU 502 N 0.37 6.35 -0.35 -5.58 4.77 -1.24 -5.19 117.00 116.12 3gf7 n LEU 502 Ca 0.16 -3.92 0.13 0.00 -0.03 0.00 0.00 56.01 52.35 3gf7 n LEU 502 Cb 0.80 -1.57 0.32 0.00 -2.33 0.00 0.00 43.42 40.64 3gf7 n LEU 502 CO 0.19 0.83 1.19 1.56 -1.33 0.00 0.00 177.39 179.83 3gf7 h GLN 513 N 6.37 0.74 -0.05 3.23 1.08 -2.05 -3.55 115.11 120.88 3gf7 h GLN 513 Ca 0.54 -0.04 -0.17 0.00 -1.45 0.00 0.00 58.65 57.52 3gf7 h GLN 513 Cb 0.65 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 3gf7 h GLN 513 CO 1.89 0.49 -0.72 -1.35 -0.95 0.00 0.00 178.83 178.19 3gf7 h PRO 514 N 0.76 0.30 -0.45 1.46 0.11 -2.05 -0.94 132.00 131.19 3gf7 h PRO 514 Ca 0.58 -0.24 -0.14 0.00 0.11 0.00 0.00 66.00 66.30 3gf7 h PRO 514 Cb 0.90 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 3gf7 h PRO 514 CO -0.38 0.89 -0.27 0.82 -0.21 0.00 0.00 178.00 178.85 3gf7 h ILE 515 N 0.20 1.27 0.00 4.15 5.03 -2.02 -0.60 117.51 125.54 3gf7 h ILE 515 Ca -0.03 -1.44 -0.03 0.00 -0.12 0.00 0.00 64.86 63.24 3gf7 h ILE 515 Cb 1.28 1.21 -0.00 0.00 -3.03 0.00 0.00 36.82 36.28 3gf7 h ILE 515 CO 0.12 0.49 -0.15 0.16 -0.68 0.00 0.00 178.15 178.09 3gf7 h ILE 516 N 0.82 0.63 -0.03 -0.67 3.07 -1.98 -0.43 117.51 118.92 3gf7 h ILE 516 Ca 0.09 -0.65 -0.26 0.00 1.55 0.00 0.00 64.86 65.60 3gf7 h ILE 516 Cb 0.86 1.41 0.02 0.00 -0.27 0.00 0.00 36.82 38.84 3gf7 h ILE 516 CO 0.08 0.15 -0.99 1.23 -1.05 0.00 0.00 178.15 177.57 3gf7 h GLY 517 N 0.99 0.78 1.03 0.16 0.00 -0.67 -2.02 103.07 103.33 3gf7 h GLY 517 Ca -0.00 -1.31 -0.06 0.00 0.00 0.00 0.00 47.33 45.97 3gf7 h GLY 517 CO 0.02 1.16 0.19 0.50 0.00 0.00 0.00 176.54 178.41 3gf7 h LYS 518 N 0.41 1.02 -0.21 4.80 1.57 -0.71 -1.34 116.57 122.12 3gf7 h LYS 518 Ca -0.11 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 3gf7 h LYS 518 Cb 1.63 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.79 3gf7 h LYS 518 CO 0.19 0.90 0.11 0.52 -0.57 0.00 0.00 179.45 180.61 3gf7 h MET 519 N 0.95 0.29 0.00 3.15 2.86 -1.11 -1.38 114.93 119.69 3gf7 h MET 519 Ca 0.21 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.74 3gf7 h MET 519 Cb 0.32 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 3gf7 h MET 519 CO -0.00 0.29 -0.34 -0.91 1.06 0.00 0.00 176.91 177.00 3gf7 h ASN 520 N 0.22 0.00 -0.08 1.22 4.21 -1.35 -0.78 115.58 119.02 3gf7 h ASN 520 Ca 0.07 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.58 3gf7 h ASN 520 Cb 0.08 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.28 3gf7 h ASN 520 CO -0.01 0.34 0.02 0.44 -1.29 0.00 0.00 177.43 176.93 3gf7 h ASP 521 N 0.00 0.11 -0.54 5.81 3.45 -0.99 -1.35 116.42 122.91 3gf7 h ASP 521 Ca -0.00 -0.21 0.02 0.00 0.43 0.00 0.00 57.03 57.26 3gf7 h ASP 521 Cb 0.75 -0.03 -0.03 0.00 -0.56 0.00 0.00 39.33 39.45 3gf7 h ASP 521 CO 0.04 0.30 0.34 -0.03 -1.57 0.00 0.00 179.24 178.32 3gf7 h MET 522 N -0.08 0.66 -0.32 3.56 4.05 -0.96 0.21 114.93 122.06 3gf7 h MET 522 Ca 0.02 -0.04 0.03 0.00 -0.28 0.00 0.00 59.70 59.44 3gf7 h MET 522 Cb 0.22 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.84 3gf7 h MET 522 CO -0.00 0.44 0.11 0.82 0.23 0.00 0.00 176.91 178.51 3gf7 h ILE 523 N 0.68 0.91 -0.25 1.77 2.04 -1.11 0.16 117.51 121.71 3gf7 h ILE 523 Ca 0.21 -0.09 -0.09 0.00 1.00 0.00 0.00 64.86 65.89 3gf7 h ILE 523 Cb -0.02 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3gf7 h ILE 523 CO -0.07 0.05 -0.23 -0.61 0.00 0.00 0.00 178.15 177.28 3gf7 h GLN 524 N 0.25 0.47 0.27 2.37 5.75 -0.88 -1.09 115.11 122.25 3gf7 h GLN 524 Ca 0.14 -0.17 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 3gf7 h GLN 524 Cb 0.11 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.63 3gf7 h GLN 524 CO -0.15 0.67 -0.15 1.98 -2.65 0.00 0.00 178.83 178.54 3gf7 h MET 525 N 0.42 -0.38 -0.77 1.69 4.05 0.03 0.78 114.93 120.74 3gf7 h MET 525 Ca 0.06 0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.61 3gf7 h MET 525 Cb 0.64 0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.47 3gf7 h MET 525 CO 0.05 -0.26 0.51 1.88 0.23 0.00 0.00 176.91 179.32 3gf7 h TYR 526 N -0.40 0.75 -0.19 1.39 0.99 -0.44 0.11 116.97 119.18 3gf7 h TYR 526 Ca -0.03 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.67 3gf7 h TYR 526 Cb 0.32 -0.24 -0.01 0.00 1.00 0.00 0.00 36.73 37.81 3gf7 h TYR 526 CO -0.08 0.35 -0.09 1.15 -0.00 0.00 0.00 178.16 179.49 3gf7 h THR 527 N 0.70 1.31 -0.44 -2.88 2.02 -0.85 -2.92 112.91 109.85 3gf7 h THR 527 Ca 0.36 -1.14 0.03 0.00 0.77 0.00 0.00 66.41 66.43 3gf7 h THR 527 Cb 0.45 1.65 -0.04 0.00 -1.74 0.00 0.00 68.15 68.48 3gf7 h THR 527 CO -0.13 0.34 0.23 0.44 0.37 0.00 0.00 175.52 176.76 3gf7 h ASP 528 N 0.09 0.33 -0.36 4.18 3.45 0.12 -2.73 116.42 121.51 3gf7 h ASP 528 Ca 0.04 0.02 -0.09 0.00 0.43 0.00 0.00 57.03 57.43 3gf7 h ASP 528 Cb 0.57 -0.04 -0.05 0.00 -0.56 0.00 0.00 39.33 39.24 3gf7 h ASP 528 CO 0.03 0.24 0.12 0.29 -1.57 0.00 0.00 179.24 178.34 3gf7 n LYS 529 N -4.90 2.44 0.00 3.56 5.02 0.27 -3.58 118.16 120.97 3gf7 n LYS 529 Ca 0.03 -1.51 0.00 0.00 -2.02 0.00 0.00 58.31 54.80 3gf7 n LYS 529 Cb 0.11 -1.77 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 3gf7 n LYS 529 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3gf7 n SER 530 N 0.09 0.00 -4.77 4.39 3.41 -1.04 -4.81 113.62 110.89 3gf7 n SER 530 Ca 0.19 -1.00 -0.38 0.00 -0.26 0.00 0.00 58.87 57.42 3gf7 n SER 530 Cb 0.84 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.76 3gf7 n SER 530 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3gf7 s ARG 531 N 0.00 4.28 0.28 4.33 1.81 -1.16 -2.94 118.95 125.55 3gf7 s ARG 531 Ca 0.00 1.73 -0.06 0.00 -1.72 0.00 0.00 55.73 55.68 3gf7 s ARG 531 Cb 0.00 -2.80 0.52 0.00 -0.45 0.00 0.00 34.95 32.21 3gf7 s ARG 531 CO 0.00 -0.09 1.57 -1.35 -0.68 0.00 0.00 175.30 174.75 3gf7 h PRO 532 N 2.97 0.01 -0.41 3.54 0.11 -1.88 0.07 132.00 136.41 3gf7 h PRO 532 Ca -0.48 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 3gf7 h PRO 532 Cb 1.22 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3gf7 h PRO 532 CO 0.64 0.01 0.04 -0.22 -0.21 0.00 0.00 178.00 178.25 3gf7 h LYS 533 N 0.01 0.70 -0.41 1.05 3.64 -1.95 -1.35 116.57 118.27 3gf7 h LYS 533 Ca 0.49 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 3gf7 h LYS 533 Cb 0.84 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 3gf7 h LYS 533 CO -0.95 0.76 0.12 -0.92 -2.27 0.00 0.00 179.45 176.19 3gf7 h TYR 534 N 0.54 0.66 -0.58 1.91 3.20 -1.61 -0.13 116.97 120.96 3gf7 h TYR 534 Ca 0.12 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3gf7 h TYR 534 Cb 0.42 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 3gf7 h TYR 534 CO 0.03 0.61 0.38 0.00 -1.64 0.00 0.00 178.16 177.54 3gf7 h THR 536 N 0.79 1.36 -0.33 0.00 1.03 -1.15 0.11 112.91 114.71 3gf7 h THR 536 Ca 0.21 -1.82 -0.00 0.00 -0.01 0.00 0.00 66.41 64.78 3gf7 h THR 536 Cb -0.08 1.88 -0.02 0.00 -1.07 0.00 0.00 68.15 68.85 3gf7 h THR 536 CO -0.05 0.54 0.19 -0.33 -0.01 0.00 0.00 175.52 175.87 3gf7 h GLU 537 N 0.22 0.45 -0.01 0.00 5.08 -0.50 -1.60 114.58 118.22 3gf7 h GLU 537 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3gf7 h GLU 537 Cb 1.02 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3gf7 h GLU 537 CO 0.09 0.33 -0.33 1.63 -1.00 0.00 0.00 179.01 179.72 3gf7 n LYS 538 N -4.46 0.70 -1.10 2.33 4.76 -0.69 -0.09 118.16 119.61 3gf7 n LYS 538 Ca 0.02 -0.43 -0.03 0.00 -2.87 0.00 0.00 58.31 55.00 3gf7 n LYS 538 Cb 0.09 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 31.77 3gf7 n LYS 538 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gf7 n GLY 539 N 1.38 0.64 0.27 0.72 0.00 -0.60 -4.82 105.19 102.78 3gf7 n GLY 539 Ca 0.11 -0.91 -0.05 0.00 0.00 0.00 0.00 46.02 45.17 3gf7 n GLY 539 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3gf7 h MET 540 N 0.01 0.68 -5.29 1.61 2.86 -1.06 -3.40 114.93 110.34 3gf7 h MET 540 Ca -0.07 -0.23 -0.50 0.00 -2.06 0.00 0.00 59.70 56.84 3gf7 h MET 540 Cb 0.22 -0.06 -0.30 0.00 0.06 0.00 0.00 31.60 31.53 3gf7 h MET 540 CO 0.10 0.79 -0.82 0.54 1.06 0.00 0.00 176.91 178.58 3gf7 s VAL 541 N -4.74 1.18 0.15 -2.22 0.11 -1.21 -4.96 120.40 108.71 3gf7 s VAL 541 Ca -0.09 -0.62 -0.07 0.00 -2.93 0.00 0.00 61.98 58.28 3gf7 s VAL 541 Cb 0.14 -1.00 -0.12 0.00 -1.53 0.00 0.00 36.38 33.88 3gf7 s VAL 541 CO 0.81 0.34 1.39 0.44 -3.33 0.00 0.00 175.10 174.75 3gf7 h ASP 542 N 5.93 0.71 -3.73 3.54 3.32 -1.31 -3.34 116.42 121.54 3gf7 h ASP 542 Ca -0.34 -0.45 -0.16 0.00 0.02 0.00 0.00 57.03 56.10 3gf7 h ASP 542 Cb 1.16 -0.21 -0.26 0.00 0.22 0.00 0.00 39.33 40.24 3gf7 h ASP 542 CO 0.49 1.21 -0.41 -0.70 -1.72 0.00 0.00 179.24 178.11 3gf7 s GLU 543 N -3.76 0.30 -0.24 3.56 2.56 -1.18 -0.46 118.70 119.48 3gf7 s GLU 543 Ca -0.08 0.42 -0.19 0.00 0.00 0.00 0.00 54.97 55.11 3gf7 s GLU 543 Cb 0.10 0.10 -0.02 0.00 2.00 0.00 0.00 34.13 36.31 3gf7 s GLU 543 CO 0.87 -0.06 0.58 0.42 -0.56 0.00 0.00 175.26 176.51 3gf7 s ILE 544 N 0.37 5.03 0.14 -3.70 -1.09 -1.26 -0.95 121.20 119.74 3gf7 s ILE 544 Ca -0.02 1.04 0.10 0.00 -2.23 0.00 0.00 60.65 59.54 3gf7 s ILE 544 Cb -0.03 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 3gf7 s ILE 544 CO -0.02 0.08 -0.19 0.68 -1.23 0.00 0.00 174.94 174.26 3gf7 s VAL 545 N 2.22 2.72 0.69 2.92 -7.23 0.15 -4.95 120.40 116.92 3gf7 s VAL 545 Ca 0.25 -1.65 -0.15 0.00 -1.81 0.00 0.00 61.98 58.61 3gf7 s VAL 545 Cb -0.16 -2.26 0.02 0.00 0.56 0.00 0.00 36.38 34.54 3gf7 s VAL 545 CO 0.09 0.03 1.16 -1.81 -0.31 0.00 0.00 175.10 174.27 3gf7 s ASP 546 N -2.31 4.67 0.46 4.85 1.01 -1.26 -4.19 116.67 119.91 3gf7 s ASP 546 Ca 0.19 2.21 0.17 0.00 0.71 0.00 0.00 52.55 55.82 3gf7 s ASP 546 Cb -0.10 -2.57 1.14 0.00 1.01 0.00 0.00 42.92 42.40 3gf7 s ASP 546 CO 0.10 -1.94 2.00 0.24 0.21 0.00 0.00 175.17 175.79 3gf7 h MET 547 N -0.05 0.27 -0.01 8.23 2.86 -1.96 0.29 114.93 124.56 3gf7 h MET 547 Ca -0.47 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 3gf7 h MET 547 Cb 1.27 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.87 3gf7 h MET 547 CO 0.52 0.18 -0.01 0.25 1.06 0.00 0.00 176.91 178.90 3gf7 n THR 548 N -4.46 0.00 0.72 2.22 -2.24 -1.26 -3.48 114.28 105.78 3gf7 n THR 548 Ca 0.08 -0.10 0.08 0.00 -2.27 0.00 0.00 64.05 61.84 3gf7 n THR 548 Cb 0.39 -0.06 -0.09 0.00 -2.10 0.00 0.00 70.33 68.47 3gf7 n THR 548 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gf7 n GLU 549 N -0.54 1.67 0.13 -0.78 -0.58 0.10 -4.62 120.64 116.02 3gf7 n GLU 549 Ca 0.21 -0.01 -0.14 0.00 -0.42 0.00 0.00 57.16 56.80 3gf7 n GLU 549 Cb 0.23 -1.26 -0.08 0.00 -0.57 0.00 0.00 31.44 29.76 3gf7 n GLU 549 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3gf7 h VAL 550 N 0.00 0.84 -0.20 2.62 2.07 -1.53 -1.45 116.25 118.59 3gf7 h VAL 550 Ca 0.00 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.19 3gf7 h VAL 550 Cb 0.39 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3gf7 h VAL 550 CO 0.00 0.08 0.07 -0.09 0.02 0.00 0.00 177.57 177.65 3gf7 h ARG 551 N -0.47 0.16 -1.02 1.57 2.43 -1.84 -0.61 114.38 114.61 3gf7 h ARG 551 Ca -0.03 -0.01 0.26 0.00 -0.81 0.00 0.00 59.98 59.39 3gf7 h ARG 551 Cb 0.35 -0.04 -0.12 0.00 -0.42 0.00 0.00 29.97 29.75 3gf7 h ARG 551 CO 0.05 0.11 0.61 -1.35 -1.51 0.00 0.00 179.97 177.88 3gf7 h PRO 552 N 0.17 0.51 -0.25 0.20 0.11 -1.78 0.72 132.00 131.67 3gf7 h PRO 552 Ca 0.09 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 65.98 3gf7 h PRO 552 Cb 0.05 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.05 3gf7 h PRO 552 CO -0.09 0.34 -0.59 1.88 -0.21 0.00 0.00 178.00 179.33 3gf7 h TYR 553 N 0.52 1.08 -0.79 0.65 -1.99 -0.59 0.59 116.97 116.44 3gf7 h TYR 553 Ca 0.64 -0.41 0.04 0.00 2.00 0.00 0.00 58.73 61.01 3gf7 h TYR 553 Cb 1.33 -0.19 -0.05 0.00 2.00 0.00 0.00 36.73 39.81 3gf7 h TYR 553 CO -0.01 1.24 0.50 0.82 -0.00 0.00 0.00 178.16 180.71 3gf7 h ILE 554 N 0.62 1.09 -0.43 -2.88 2.04 -0.26 0.17 117.51 117.85 3gf7 h ILE 554 Ca -0.00 -0.33 -0.08 0.00 1.00 0.00 0.00 64.86 65.45 3gf7 h ILE 554 Cb 1.20 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3gf7 h ILE 554 CO 0.13 0.17 -0.04 1.56 0.00 0.00 0.00 178.15 179.97 3gf7 h GLN 555 N 0.95 0.80 0.20 2.37 4.20 0.70 0.22 115.11 124.55 3gf7 h GLN 555 Ca 0.33 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 3gf7 h GLN 555 Cb 0.06 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3gf7 h GLN 555 CO -0.13 0.89 -0.10 0.00 -0.67 0.00 0.00 178.83 178.82 3gf7 h ALA 556 N 0.88 -0.27 0.09 3.87 0.00 -0.67 -1.63 119.26 121.54 3gf7 h ALA 556 Ca 0.12 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3gf7 h ALA 556 Cb 0.56 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3gf7 h ALA 556 CO 0.03 -0.61 -0.25 0.35 0.00 0.00 0.00 179.25 178.78 3gf7 h PHE 557 N -0.37 -0.66 -0.40 0.00 3.57 -0.62 -1.41 116.94 117.06 3gf7 h PHE 557 Ca -0.03 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 3gf7 h PHE 557 Cb 0.28 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 3gf7 h PHE 557 CO -0.04 -0.34 0.14 1.15 -2.23 0.00 0.00 178.31 176.99 3gf7 h THR 558 N -0.43 1.21 -0.17 4.41 2.02 -0.95 0.41 112.91 119.40 3gf7 h THR 558 Ca 0.04 -0.66 -0.08 0.00 0.77 0.00 0.00 66.41 66.48 3gf7 h THR 558 Cb 0.47 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3gf7 h THR 558 CO -0.16 0.24 -0.24 -0.33 0.37 0.00 0.00 175.52 175.39 3gf7 h GLU 559 N 0.51 0.30 -0.24 6.66 5.08 -1.29 -1.92 114.58 123.68 3gf7 h GLU 559 Ca 0.13 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 3gf7 h GLU 559 Cb 0.22 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3gf7 h GLU 559 CO -0.01 0.53 -0.48 0.00 -1.00 0.00 0.00 179.01 178.05 3gf7 h ALA 560 N 1.48 0.70 -0.30 3.43 0.00 -0.77 -1.70 119.26 122.10 3gf7 h ALA 560 Ca 0.04 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 3gf7 h ALA 560 Cb 0.58 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3gf7 h ALA 560 CO 0.04 0.67 -0.14 0.00 0.00 0.00 0.00 179.25 179.82 3gf7 h ALA 561 N 0.95 1.20 -0.01 0.00 0.00 -0.50 -3.03 119.26 117.87 3gf7 h ALA 561 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3gf7 h ALA 561 Cb 1.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3gf7 h ALA 561 CO 0.10 0.52 -0.26 0.66 0.00 0.00 0.00 179.25 180.27 3gf7 n TYR 562 N -4.18 0.00 -0.22 0.00 4.02 -0.76 -3.92 117.16 112.10 3gf7 n TYR 562 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.83 3gf7 n TYR 562 Cb 0.34 -0.07 0.03 0.00 -0.02 0.00 0.00 39.34 39.63 3gf7 n TYR 562 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 3gf7 h GLN 563 N 1.89 0.86 -0.63 -0.72 4.15 -1.17 -3.38 115.11 116.11 3gf7 h GLN 563 Ca 0.00 -0.11 -0.32 0.00 0.77 0.00 0.00 58.65 58.99 3gf7 h GLN 563 Cb 0.60 -0.16 -0.23 0.00 0.21 0.00 0.00 27.48 27.90 3gf7 h GLN 563 CO 0.00 0.68 -0.68 -1.71 -1.93 0.00 0.00 178.83 175.18 3gf7 n ASN 564 N -4.54 -1.48 -4.76 -0.69 5.15 -1.26 0.60 115.26 108.28 3gf7 n ASN 564 Ca 0.04 -3.41 -0.36 0.00 -0.60 0.00 0.00 54.58 50.25 3gf7 n ASN 564 Cb 0.10 1.12 0.02 0.00 -0.53 0.00 0.00 39.78 40.49 3gf7 n ASN 564 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3gf7 s PRO 565 N -0.43 3.22 0.00 1.20 0.04 -1.25 -4.85 135.00 132.93 3gf7 s PRO 565 Ca 0.29 1.79 0.27 0.00 0.04 0.00 0.00 61.00 63.39 3gf7 s PRO 565 Cb 0.29 -2.06 0.91 0.00 0.04 0.00 0.00 34.50 33.69 3gf7 s PRO 565 CO -0.09 -1.00 1.67 1.04 0.04 0.00 0.00 177.00 178.66 3gf7 n GLN 566 N -1.28 0.74 -3.75 4.56 1.13 -1.26 -4.87 117.38 112.65 3gf7 n GLN 566 Ca 0.12 -0.38 -0.13 0.00 -1.94 0.00 0.00 57.00 54.67 3gf7 n GLN 566 Cb 0.49 -1.49 -0.10 0.00 0.11 0.00 0.00 30.24 29.25 3gf7 n GLN 566 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3gf7 s SER 567 N -2.52 -0.31 -0.02 1.08 0.15 -1.26 -5.16 113.70 105.65 3gf7 s SER 567 Ca 0.25 0.48 0.04 0.00 0.70 0.00 0.00 55.95 57.43 3gf7 s SER 567 Cb 0.19 0.57 -0.01 0.00 -1.71 0.00 0.00 66.02 65.07 3gf7 s SER 567 CO 0.51 -0.25 -0.16 -0.63 1.20 0.00 0.00 173.24 173.92 3gf7 s ILE 568 N -0.39 1.27 -0.27 6.45 1.01 -1.26 -4.97 121.20 123.05 3gf7 s ILE 568 Ca -0.05 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 59.93 3gf7 s ILE 568 Cb -0.03 -1.07 0.04 0.00 0.01 0.00 0.00 42.46 41.40 3gf7 s ILE 568 CO 0.02 0.36 -0.04 0.00 0.00 0.00 0.00 174.94 175.28 3gf7 n PRO 570 N 4.65 1.40 -0.37 0.00 -0.02 -1.26 -4.83 135.00 134.57 3gf7 n PRO 570 Ca -0.15 0.51 0.01 0.00 -2.02 0.00 0.00 63.50 61.85 3gf7 n PRO 570 Cb 0.46 -2.27 0.16 0.00 -0.02 0.00 0.00 33.50 31.83 3gf7 n PRO 570 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 3gf7 h MET 571 N 1.30 1.20 0.00 -0.52 2.86 -1.98 -0.72 114.93 117.06 3gf7 h MET 571 Ca -0.48 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.09 3gf7 h MET 571 Cb 1.33 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 32.72 3gf7 h MET 571 CO 0.56 0.79 0.00 -2.39 1.06 0.00 0.00 176.91 176.93 3gf7 n HIS 572 N -4.46 0.20 -0.11 -0.22 -0.00 -1.26 -2.22 115.22 107.14 3gf7 n HIS 572 Ca 0.14 0.07 0.08 0.00 -0.00 0.00 0.00 57.72 58.01 3gf7 n HIS 572 Cb 0.13 -0.62 0.19 0.00 -0.00 0.00 0.00 29.99 29.69 3gf7 n HIS 572 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 3gf7 n GLN 573 N -1.68 2.57 -2.64 -1.40 6.02 -0.29 -5.00 117.38 114.97 3gf7 n GLN 573 Ca 0.04 -2.15 -0.40 0.00 -0.01 0.00 0.00 57.00 54.48 3gf7 n GLN 573 Cb 0.21 -1.37 -0.05 0.00 1.02 0.00 0.00 30.24 30.05 3gf7 n GLN 573 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3gf7 s MET 574 N -1.05 4.75 -0.17 -1.09 -1.94 -0.94 -4.90 119.30 113.96 3gf7 s MET 574 Ca 0.30 1.61 0.03 0.00 -1.71 0.00 0.00 55.69 55.92 3gf7 s MET 574 Cb 0.16 -3.26 -0.22 0.00 2.01 0.00 0.00 34.83 33.52 3gf7 s MET 574 CO 0.22 0.36 0.15 -0.11 -0.01 0.00 0.00 175.02 175.62 3gf7 n LEU 575 N 1.59 2.06 -0.10 -0.03 7.94 -1.26 -4.34 117.00 122.86 3gf7 n LEU 575 Ca -0.01 0.08 -0.06 0.00 -1.11 0.00 0.00 56.01 54.91 3gf7 n LEU 575 Cb 0.46 -0.58 0.00 0.00 0.53 0.00 0.00 43.42 43.84 3gf7 n LEU 575 CO 0.52 0.76 0.75 0.74 -1.11 0.00 0.00 177.39 179.05 3gf7 h THR 576 N 0.02 0.52 -0.91 1.96 2.02 -1.94 0.13 112.91 114.72 3gf7 h THR 576 Ca -0.48 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.73 3gf7 h THR 576 Cb 2.02 0.52 -0.05 0.00 -1.74 0.00 0.00 68.15 68.90 3gf7 h THR 576 CO 0.01 0.00 0.60 -0.65 0.37 0.00 0.00 175.52 175.85 3gf7 h PRO 577 N -0.09 1.12 0.07 6.66 0.11 -1.97 0.52 132.00 138.43 3gf7 h PRO 577 Ca 0.18 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 3gf7 h PRO 577 Cb 0.36 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.21 3gf7 h PRO 577 CO -0.41 0.74 -0.04 0.00 -0.21 0.00 0.00 178.00 178.08 3gf7 h ARG 578 N 1.15 -0.10 -0.61 1.05 -0.00 -1.44 -1.02 114.38 113.41 3gf7 h ARG 578 Ca 0.35 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.85 3gf7 h ARG 578 Cb -0.01 0.02 -0.03 0.00 0.00 0.00 0.00 29.97 29.95 3gf7 h ARG 578 CO -0.10 0.38 0.40 0.77 0.00 0.00 0.00 179.97 181.42 3gf7 h SER 579 N -0.63 0.71 0.11 7.04 0.02 -0.72 0.12 113.55 120.20 3gf7 h SER 579 Ca -0.01 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3gf7 h SER 579 Cb 0.53 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3gf7 h SER 579 CO 0.02 0.52 -0.05 0.74 -1.14 0.00 0.00 176.83 176.91 3gf7 h THR 580 N 0.83 0.95 0.02 -2.27 2.02 -0.85 -1.88 112.91 111.74 3gf7 h THR 580 Ca 0.22 -0.22 0.02 0.00 0.77 0.00 0.00 66.41 67.21 3gf7 h THR 580 Cb -0.08 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 3gf7 h THR 580 CO -0.05 0.05 -0.20 -0.09 0.37 0.00 0.00 175.52 175.61 3gf7 h ARG 581 N -0.25 -0.32 -0.88 6.66 9.65 -0.70 -2.64 114.38 125.89 3gf7 h ARG 581 Ca -0.02 0.02 0.09 0.00 -1.10 0.00 0.00 59.98 58.98 3gf7 h ARG 581 Cb 0.20 0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 28.79 3gf7 h ARG 581 CO 0.02 -0.21 0.57 0.93 2.80 0.00 0.00 179.97 184.08 3gf7 h GLU 582 N -0.33 0.87 -0.64 0.20 4.39 -0.71 -0.41 114.58 117.95 3gf7 h GLU 582 Ca 0.05 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 3gf7 h GLU 582 Cb 0.39 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 3gf7 h GLU 582 CO -0.17 0.58 0.16 0.35 -1.16 0.00 0.00 179.01 178.77 3gf7 h PHE 583 N 0.90 1.05 -0.23 4.33 3.57 -1.13 0.14 116.94 125.57 3gf7 h PHE 583 Ca 0.40 -0.11 -0.11 0.00 3.53 0.00 0.00 57.97 61.68 3gf7 h PHE 583 Cb 0.37 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3gf7 h PHE 583 CO -0.00 0.86 -0.33 0.93 -2.23 0.00 0.00 178.31 177.54 3gf7 h GLU 584 N 0.96 0.48 0.00 1.11 5.08 -0.76 -2.53 114.58 118.92 3gf7 h GLU 584 Ca 0.21 -0.21 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 3gf7 h GLU 584 Cb 0.34 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 3gf7 h GLU 584 CO -0.00 0.75 -1.95 0.25 -1.00 0.00 0.00 179.01 177.06 3gf7 n THR 585 N -4.07 1.06 -0.05 1.13 -2.24 -0.58 -4.46 114.28 105.07 3gf7 n THR 585 Ca -0.01 -0.73 -0.02 0.00 -2.27 0.00 0.00 64.05 61.02 3gf7 n THR 585 Cb 0.46 -0.50 -0.15 0.00 -2.10 0.00 0.00 70.33 68.04 3gf7 n THR 585 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3gf7 n PHE 586 N -2.72 0.24 0.00 4.78 7.35 0.48 -5.09 117.46 122.50 3gf7 n PHE 586 Ca -0.19 0.08 0.00 0.00 -0.76 0.00 0.00 57.45 56.59 3gf7 n PHE 586 Cb 0.93 -0.89 0.00 0.00 0.35 0.00 0.00 39.48 39.87 3gf7 n PHE 586 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41