#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gza s LEU 24 N 0.00 4.34 0.52 -1.84 1.02 -1.26 -4.97 118.68 116.48 3gza s LEU 24 Ca 0.00 2.98 -0.22 0.00 0.02 0.00 0.00 54.13 56.91 3gza s LEU 24 Cb 0.00 -3.64 -0.06 0.00 0.02 0.00 0.00 46.19 42.51 3gza s LEU 24 CO 0.00 -0.92 1.30 -2.84 0.02 0.00 0.00 176.35 173.91 3gza s PRO 25 N -0.79 3.34 0.11 1.29 0.02 -1.26 -5.00 135.00 132.71 3gza s PRO 25 Ca 0.62 2.09 -0.05 0.00 0.02 0.00 0.00 61.00 63.67 3gza s PRO 25 Cb -0.48 -2.31 -0.02 0.00 0.02 0.00 0.00 34.50 31.71 3gza s PRO 25 CO 0.51 -0.98 0.13 0.14 -0.33 0.00 0.00 177.00 176.47 3gza s VAL 26 N -1.38 0.13 0.68 3.83 -7.23 -1.26 -4.42 120.40 110.75 3gza s VAL 26 Ca 0.69 -1.56 -0.15 0.00 -1.81 0.00 0.00 61.98 59.15 3gza s VAL 26 Cb -0.37 -1.68 0.01 0.00 0.56 0.00 0.00 36.38 34.91 3gza s VAL 26 CO 0.44 -0.60 1.13 -2.84 -0.31 0.00 0.00 175.10 172.91 3gza s PRO 27 N -3.95 2.63 0.61 4.82 0.02 -1.26 -4.76 135.00 133.12 3gza s PRO 27 Ca 0.13 1.47 -0.15 0.00 0.02 0.00 0.00 61.00 62.47 3gza s PRO 27 Cb 0.06 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.63 3gza s PRO 27 CO -0.05 -1.39 1.06 0.15 -0.33 0.00 0.00 177.00 176.44 3gza s LYS 28 N -4.07 3.20 0.31 5.54 1.02 -1.26 -4.93 119.74 119.55 3gza s LYS 28 Ca 0.68 1.20 0.07 0.00 0.02 0.00 0.00 55.97 57.94 3gza s LYS 28 Cb -0.22 -2.02 0.78 0.00 -0.52 0.00 0.00 37.83 35.85 3gza s LYS 28 CO 0.43 -0.91 1.76 -1.35 -0.92 0.00 0.00 175.35 174.36 3gza h PRO 29 N 0.24 0.69 0.00 -1.68 0.11 -2.00 -0.00 132.00 129.36 3gza h PRO 29 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3gza h PRO 29 Cb 1.22 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3gza h PRO 29 CO 0.57 0.45 0.00 -2.39 -0.21 0.00 0.00 178.00 176.42 3gza n HIS 30 N -4.81 0.00 0.85 0.65 1.44 -1.26 -2.62 115.22 109.48 3gza n HIS 30 Ca 0.24 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 56.08 3gza n HIS 30 Cb 0.62 -0.44 0.32 0.00 0.12 0.00 0.00 29.99 30.61 3gza n HIS 30 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3gza n GLN 31 N -1.44 0.10 -0.20 -1.40 6.02 -0.02 -4.02 117.38 116.41 3gza n GLN 31 Ca 0.07 0.04 -0.02 0.00 -0.01 0.00 0.00 57.00 57.08 3gza n GLN 31 Cb 0.26 -1.57 0.18 0.00 1.02 0.00 0.00 30.24 30.13 3gza n GLN 31 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3gza h LEU 32 N 0.00 0.89 -1.44 1.08 3.38 -1.49 -1.63 115.31 116.11 3gza h LEU 32 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3gza h LEU 32 Cb 0.59 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3gza h LEU 32 CO 0.00 0.77 0.00 0.07 0.09 0.00 0.00 178.44 179.37 3gza h LYS 33 N 0.98 0.00 0.52 1.13 2.10 -1.79 -1.33 116.57 118.18 3gza h LYS 33 Ca 0.24 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.86 3gza h LYS 33 Cb 0.12 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.46 3gza h LYS 33 CO -0.03 0.00 -0.25 2.35 -2.00 0.00 0.00 179.45 179.52 3gza h TRP 34 N 0.00 -0.65 -0.23 0.07 2.91 -1.51 -2.55 115.95 114.00 3gza h TRP 34 Ca 0.00 -0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.03 3gza h TRP 34 Cb 0.40 0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 29.24 3gza h TRP 34 CO 0.00 -0.33 0.07 0.45 -1.03 0.00 0.00 178.44 177.60 3gza h HIS 35 N -1.05 0.13 -0.36 2.65 3.86 -1.44 -3.15 115.15 115.78 3gza h HIS 35 Ca -0.07 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.10 3gza h HIS 35 Cb 0.61 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.04 3gza h HIS 35 CO 0.01 0.06 0.02 0.93 0.86 0.00 0.00 177.93 179.81 3gza h GLU 36 N 0.17 0.55 -0.62 2.45 5.08 -1.35 -2.91 114.58 117.95 3gza h GLU 36 Ca 0.10 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3gza h GLU 36 Cb 0.07 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3gza h GLU 36 CO -0.11 0.56 0.39 0.00 -1.00 0.00 0.00 179.01 178.85 3gza h ALA 37 N 1.50 0.79 0.00 3.43 0.00 -1.41 -3.51 119.26 120.07 3gza h ALA 37 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gza h ALA 37 Cb 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3gza h ALA 37 CO 0.01 0.16 0.00 0.39 0.00 0.00 0.00 179.25 179.81 3gza n GLU 38 N -4.70 0.00 0.00 0.00 1.02 -1.10 -4.52 120.64 111.34 3gza n GLU 38 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3gza n GLU 38 Cb 0.05 -3.07 0.00 0.00 -0.02 0.00 0.00 31.44 28.40 3gza n GLU 38 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gza n GLY 40 N -2.00 -0.61 3.10 0.62 0.00 0.19 -1.13 105.19 105.35 3gza n GLY 40 Ca 0.00 -1.12 -0.17 0.00 0.00 0.00 0.00 46.02 44.73 3gza n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gza s ALA 41 N -2.00 0.90 -0.07 4.61 0.00 -0.72 -1.14 121.76 123.34 3gza s ALA 41 Ca 0.00 -0.74 0.06 0.00 0.00 0.00 0.00 51.96 51.27 3gza s ALA 41 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 3gza s ALA 41 CO 0.00 0.13 -0.25 0.54 0.00 0.00 0.00 175.76 176.19 3gza s VAL 42 N -0.94 2.04 -0.30 0.00 0.11 -0.16 -0.58 120.40 120.57 3gza s VAL 42 Ca -0.02 -1.05 -0.06 0.00 -2.93 0.00 0.00 61.98 57.93 3gza s VAL 42 Cb -0.08 -1.73 0.02 0.00 -1.53 0.00 0.00 36.38 33.06 3gza s VAL 42 CO 0.01 0.56 0.06 -0.36 -3.33 0.00 0.00 175.10 172.04 3gza s PHE 43 N -0.05 3.17 -0.13 1.54 0.40 0.49 -0.46 117.98 122.94 3gza s PHE 43 Ca -0.07 -1.24 -0.17 0.00 -0.60 0.00 0.00 56.93 54.85 3gza s PHE 43 Cb -0.15 -2.22 -0.04 0.00 0.51 0.00 0.00 43.02 41.12 3gza s PHE 43 CO 0.05 -0.66 0.41 -1.01 0.70 0.00 0.00 175.22 174.71 3gza s HIS 44 N 1.43 3.49 -0.20 0.36 3.76 -1.17 -1.82 115.29 121.13 3gza s HIS 44 Ca 0.01 0.78 -0.11 0.00 -0.15 0.00 0.00 55.06 55.58 3gza s HIS 44 Cb -0.18 -2.47 0.07 0.00 1.11 0.00 0.00 32.58 31.11 3gza s HIS 44 CO 0.01 0.19 0.49 -0.47 -0.85 0.00 0.00 174.74 174.12 3gza s TYR 45 N 0.56 -0.74 0.32 1.40 5.04 -1.26 -4.40 117.35 118.27 3gza s TYR 45 Ca 0.22 1.54 -0.17 0.00 -2.44 0.00 0.00 57.07 56.22 3gza s TYR 45 Cb -0.14 0.38 0.03 0.00 0.35 0.00 0.00 41.96 42.57 3gza s TYR 45 CO 0.08 -0.40 0.70 0.34 -1.34 0.00 0.00 175.55 174.93 3gza s ASP 46 N 1.51 -0.05 0.43 4.32 -1.08 -1.26 -4.78 116.67 115.76 3gza s ASP 46 Ca -0.09 -0.92 0.09 0.00 -0.52 0.00 0.00 52.55 51.10 3gza s ASP 46 Cb -0.08 0.76 0.92 0.00 -1.46 0.00 0.00 42.92 43.07 3gza s ASP 46 CO -0.15 -1.45 2.07 -0.07 0.52 0.00 0.00 175.17 176.09 3gza h LEU 47 N 2.04 0.40 -1.39 -1.34 3.38 -1.98 -2.25 115.31 114.16 3gza h LEU 47 Ca -0.26 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3gza h LEU 47 Cb 1.25 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3gza h LEU 47 CO 0.32 0.29 0.00 1.12 0.09 0.00 0.00 178.44 180.26 3gza h HIS 48 N 0.47 0.00 -0.15 1.13 2.07 -1.99 -2.02 115.15 114.66 3gza h HIS 48 Ca 0.13 0.00 0.04 0.00 -2.85 0.00 0.00 60.37 57.69 3gza h HIS 48 Cb -0.05 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.93 3gza h HIS 48 CO -0.00 0.00 0.13 0.28 -3.07 0.00 0.00 177.93 175.27 3gza h VAL 49 N 0.00 0.69 -0.21 6.12 2.07 -1.68 -2.44 116.25 120.81 3gza h VAL 49 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3gza h VAL 49 Cb 0.24 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3gza h VAL 49 CO 0.00 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.08 3gza n PHE 50 N -4.14 0.25 1.62 1.57 3.01 -0.76 -4.42 117.46 114.60 3gza n PHE 50 Ca 0.01 -0.13 0.14 0.00 1.01 0.00 0.00 57.45 58.48 3gza n PHE 50 Cb 0.25 0.00 0.62 0.00 -0.01 0.00 0.00 39.48 40.34 3gza n PHE 50 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3gza n ASP 51 N 0.85 1.10 0.00 4.37 5.68 -0.92 -4.94 116.55 122.69 3gza n ASP 51 Ca 0.17 -1.39 0.00 0.00 -0.50 0.00 0.00 54.79 53.07 3gza n ASP 51 Cb 0.46 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 3gza n ASP 51 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gza n GLY 52 N 1.12 0.61 3.32 6.12 0.00 -1.26 -5.00 105.19 110.09 3gza n GLY 52 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 3gza n GLY 52 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gza s ILE 53 N -2.66 0.53 0.58 -0.61 -4.36 -1.26 -4.85 121.20 108.57 3gza s ILE 53 Ca 0.00 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.20 3gza s ILE 53 Cb 0.00 -2.63 -0.04 0.00 1.25 0.00 0.00 42.46 41.04 3gza s ILE 53 CO 0.00 0.00 1.16 -0.13 0.24 0.00 0.00 174.94 176.21 3gza s ARG 54 N -4.02 3.11 0.08 0.37 0.52 -1.26 -4.63 118.95 113.12 3gza s ARG 54 Ca 0.38 1.67 -0.31 0.00 -0.52 0.00 0.00 55.73 56.95 3gza s ARG 54 Cb 0.08 -1.97 -0.07 0.00 0.52 0.00 0.00 34.95 33.51 3gza s ARG 54 CO 0.14 -1.06 1.34 -0.47 0.02 0.00 0.00 175.30 175.27 3gza s TYR 55 N -1.78 3.22 -0.38 -0.53 5.04 -1.26 -5.00 117.35 116.66 3gza s TYR 55 Ca 0.74 1.01 0.02 0.00 -2.44 0.00 0.00 57.07 56.40 3gza s TYR 55 Cb -0.26 -3.61 0.11 0.00 0.35 0.00 0.00 41.96 38.55 3gza s TYR 55 CO 0.31 -2.12 0.14 0.20 -1.34 0.00 0.00 175.55 172.75 3gza s GLY 56 N 1.25 1.64 0.13 8.97 0.00 -1.26 -5.01 107.32 113.03 3gza s GLY 56 Ca 0.63 -2.35 -0.23 0.00 0.00 0.00 0.00 44.72 42.77 3gza s GLY 56 CO 0.29 1.33 1.66 -1.61 0.00 0.00 0.00 173.10 174.78 3gza h GLN 57 N 7.41 -0.22 -0.79 2.90 4.15 -1.95 0.15 115.11 126.75 3gza h GLN 57 Ca -0.07 0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.48 3gza h GLN 57 Cb 0.98 0.05 -0.08 0.00 0.21 0.00 0.00 27.48 28.64 3gza h GLN 57 CO 0.51 -0.15 0.41 0.78 -1.93 0.00 0.00 178.83 178.45 3gza h GLY 58 N -0.23 1.23 1.90 2.39 0.00 -1.95 0.26 103.07 106.67 3gza h GLY 58 Ca 0.08 -0.25 -0.21 0.00 0.00 0.00 0.00 47.33 46.96 3gza h GLY 58 CO -0.23 0.03 -0.96 -0.57 0.00 0.00 0.00 176.54 174.81 3gza h ASN 59 N 0.64 0.12 -0.23 0.19 -1.24 -1.91 -3.27 115.58 109.88 3gza h ASN 59 Ca 0.41 -0.11 -0.20 0.00 0.71 0.00 0.00 56.30 57.10 3gza h ASN 59 Cb 0.49 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.51 3gza h ASN 59 CO -0.31 1.00 -0.64 -1.13 -1.29 0.00 0.00 177.43 175.06 3gza h ASN 60 N 0.04 0.97 -4.07 1.15 -1.24 -0.11 -2.22 115.58 110.10 3gza h ASN 60 Ca -0.03 -0.57 -0.49 0.00 0.71 0.00 0.00 56.30 55.92 3gza h ASN 60 Cb 1.65 -0.28 0.06 0.00 0.73 0.00 0.00 38.32 40.48 3gza h ASN 60 CO 0.14 1.37 0.42 -0.13 -1.29 0.00 0.00 177.43 177.94 3gza s ARG 61 N -3.97 3.56 0.00 6.67 0.52 0.86 -3.92 118.95 122.67 3gza s ARG 61 Ca -0.10 1.56 0.00 0.00 -0.52 0.00 0.00 55.73 56.66 3gza s ARG 61 Cb 0.10 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.46 3gza s ARG 61 CO 0.90 -0.66 0.00 -0.89 0.02 0.00 0.00 175.30 174.66 3gza n ILE 62 N -1.05 0.00 -3.40 1.52 2.08 -1.26 -4.71 119.36 112.53 3gza n ILE 62 Ca 0.10 0.00 -0.38 0.00 0.56 0.00 0.00 62.75 63.03 3gza n ILE 62 Cb 0.51 0.00 -0.08 0.00 -0.75 0.00 0.00 39.64 39.32 3gza n ILE 62 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 3gza s ASN 63 N 0.00 6.43 0.75 4.38 0.01 -0.83 -4.77 114.94 120.90 3gza s ASN 63 Ca 0.00 0.50 -0.14 0.00 -0.71 0.00 0.00 52.86 52.51 3gza s ASN 63 Cb 0.00 -2.23 0.05 0.00 0.41 0.00 0.00 41.25 39.48 3gza s ASN 63 CO 0.00 -0.07 1.18 -2.84 -1.51 0.00 0.00 177.10 173.87 3gza s PRO 64 N 1.27 2.08 0.14 -0.60 0.02 -1.26 -4.76 135.00 131.90 3gza s PRO 64 Ca 0.19 1.66 -0.31 0.00 0.02 0.00 0.00 61.00 62.55 3gza s PRO 64 Cb -0.15 -1.84 -0.09 0.00 0.02 0.00 0.00 34.50 32.44 3gza s PRO 64 CO 0.08 -1.86 1.53 0.42 -0.33 0.00 0.00 177.00 176.84 3gza s ILE 65 N -2.15 2.87 0.12 2.83 -1.09 -1.26 -4.93 121.20 117.58 3gza s ILE 65 Ca 0.72 0.59 -0.12 0.00 -2.23 0.00 0.00 60.65 59.61 3gza s ILE 65 Cb -0.27 -3.38 -0.12 0.00 -1.58 0.00 0.00 42.46 37.12 3gza s ILE 65 CO 0.47 0.04 1.37 -0.33 -1.23 0.00 0.00 174.94 175.26 3gza h GLU 66 N 6.98 0.84 -2.93 2.79 4.39 -2.03 -3.42 114.58 121.20 3gza h GLU 66 Ca -0.42 -0.59 -0.49 0.00 0.34 0.00 0.00 59.36 58.20 3gza h GLU 66 Cb 1.20 0.09 -0.41 0.00 -0.10 0.00 0.00 28.75 29.54 3gza h GLU 66 CO 0.90 1.21 -0.76 0.34 -1.16 0.00 0.00 179.01 179.54 3gza s ASP 67 N -7.02 2.88 0.07 1.42 -1.08 -1.26 -5.01 116.67 106.67 3gza s ASP 67 Ca -0.10 -0.92 0.20 0.00 -0.52 0.00 0.00 52.55 51.21 3gza s ASP 67 Cb 0.10 -0.28 0.82 0.00 -1.46 0.00 0.00 42.92 42.09 3gza s ASP 67 CO 0.90 -0.39 1.62 0.00 0.52 0.00 0.00 175.17 177.82 3gza n TYR 68 N 5.27 0.24 1.38 -5.34 0.18 -1.26 -2.66 117.16 114.97 3gza n TYR 68 Ca -0.07 0.09 0.11 0.00 1.88 0.00 0.00 57.90 59.91 3gza n TYR 68 Cb 0.46 -0.64 0.63 0.00 -0.38 0.00 0.00 39.34 39.40 3gza n TYR 68 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 3gza n ASN 69 N -1.72 0.00 0.28 9.48 3.02 -1.26 -1.87 115.26 123.20 3gza n ASN 69 Ca 0.04 -0.72 0.19 0.00 -0.03 0.00 0.00 54.58 54.06 3gza n ASN 69 Cb 0.23 0.00 0.96 0.00 -0.61 0.00 0.00 39.78 40.36 3gza n ASN 69 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 3gza h ILE 70 N 0.00 0.00 -1.54 2.41 3.07 -1.89 -3.39 117.51 116.18 3gza h ILE 70 Ca 0.00 -0.11 -0.44 0.00 1.55 0.00 0.00 64.86 65.86 3gza h ILE 70 Cb 0.00 1.00 -0.04 0.00 -0.27 0.00 0.00 36.82 37.50 3gza h ILE 70 CO 0.00 0.00 1.13 0.12 -1.05 0.00 0.00 178.15 178.35 3gza s PHE 71 N -3.90 1.79 -0.43 0.16 2.19 -0.78 -4.79 117.98 112.22 3gza s PHE 71 Ca -0.03 0.61 0.08 0.00 0.33 0.00 0.00 56.93 57.92 3gza s PHE 71 Cb 0.11 -4.14 0.29 0.00 -1.31 0.00 0.00 43.02 37.97 3gza s PHE 71 CO 0.39 -2.09 0.82 -1.71 1.83 0.00 0.00 175.22 174.46 3gza n ASN 72 N 12.78 -1.03 -4.56 6.13 5.15 -1.26 -4.57 115.26 127.90 3gza n ASN 72 Ca 0.26 -3.18 -0.38 0.00 -0.60 0.00 0.00 54.58 50.69 3gza n ASN 72 Cb 0.50 0.61 -0.03 0.00 -0.53 0.00 0.00 39.78 40.33 3gza n ASN 72 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3gza s PRO 73 N -0.69 3.19 0.55 1.20 0.04 -1.25 -4.83 135.00 133.21 3gza s PRO 73 Ca 0.32 -0.59 0.33 0.00 0.04 0.00 0.00 61.00 61.11 3gza s PRO 73 Cb 0.26 -4.94 1.49 0.00 0.04 0.00 0.00 34.50 31.35 3gza s PRO 73 CO -0.12 -2.49 2.04 1.79 0.04 0.00 0.00 177.00 178.26 3gza h THR 74 N 6.73 0.15 -0.42 1.26 1.35 -1.78 -2.80 112.91 117.40 3gza h THR 74 Ca 0.03 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3gza h THR 74 Cb 1.03 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 3gza h THR 74 CO 1.33 0.05 0.00 -0.62 -0.25 0.00 0.00 175.52 176.03 3gza n GLU 75 N -3.20 3.20 -1.67 4.72 -0.58 0.38 -5.04 120.64 118.44 3gza n GLU 75 Ca -0.00 -2.59 -0.46 0.00 -0.42 0.00 0.00 57.16 53.69 3gza n GLU 75 Cb 0.28 -1.67 -0.04 0.00 -0.57 0.00 0.00 31.44 29.44 3gza n GLU 75 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3gza n LEU 76 N 0.40 3.14 -3.31 -4.62 0.00 -0.80 -4.63 117.00 107.17 3gza n LEU 76 Ca 0.20 1.08 -0.10 0.00 0.00 0.00 0.00 56.01 57.19 3gza n LEU 76 Cb 0.73 -1.43 -0.06 0.00 0.00 0.00 0.00 43.42 42.67 3gza n LEU 76 CO 0.16 -0.27 -0.07 0.21 0.00 0.00 0.00 177.39 177.42 3gza s ASN 77 N 0.99 0.37 0.54 1.96 2.47 -1.07 -5.02 114.94 115.18 3gza s ASN 77 Ca 0.79 -0.64 0.35 0.00 0.42 0.00 0.00 52.86 53.79 3gza s ASN 77 Cb -0.67 1.08 1.69 0.00 -1.45 0.00 0.00 41.25 41.90 3gza s ASN 77 CO 0.38 -0.32 2.07 0.71 -3.72 0.00 0.00 177.10 176.21 3gza h THR 78 N 5.87 0.00 -0.89 -5.21 1.35 -1.91 -1.83 112.91 110.30 3gza h THR 78 Ca -0.05 -0.25 -0.00 0.00 -0.55 0.00 0.00 66.41 65.56 3gza h THR 78 Cb 1.11 1.17 -0.04 0.00 -1.73 0.00 0.00 68.15 68.66 3gza h THR 78 CO 0.24 0.00 0.54 0.44 -0.25 0.00 0.00 175.52 176.49 3gza h ASP 79 N 0.00 1.05 -0.33 5.36 3.32 -1.93 -1.90 116.42 122.00 3gza h ASP 79 Ca 0.00 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 3gza h ASP 79 Cb 0.27 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3gza h ASP 79 CO 0.00 0.80 0.00 -0.61 -1.72 0.00 0.00 179.24 177.71 3gza h GLN 80 N 1.22 0.69 -0.05 3.56 -0.00 -1.74 0.48 115.11 119.27 3gza h GLN 80 Ca 0.32 -0.17 -0.00 0.00 -0.00 0.00 0.00 58.65 58.80 3gza h GLN 80 Cb -0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 27.48 27.32 3gza h GLN 80 CO -0.06 0.70 0.01 -1.49 0.00 0.00 0.00 178.83 177.99 3gza h TRP 81 N 0.65 0.08 -0.39 3.99 4.06 -1.39 -1.44 115.95 121.51 3gza h TRP 81 Ca 0.13 -0.01 -0.06 0.00 2.06 0.00 0.00 58.89 61.01 3gza h TRP 81 Cb 0.40 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.53 3gza h TRP 81 CO 0.02 0.27 0.00 0.28 -3.56 0.00 0.00 178.44 175.45 3gza h VAL 82 N -0.14 1.26 -0.88 1.49 2.07 -1.20 -1.92 116.25 116.93 3gza h VAL 82 Ca 0.01 -1.00 0.05 0.00 0.82 0.00 0.00 66.70 66.59 3gza h VAL 82 Cb 0.24 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 3gza h VAL 82 CO 0.00 0.34 0.55 -0.61 0.02 0.00 0.00 177.57 177.87 3gza h GLN 83 N 0.50 1.00 -0.45 1.57 4.15 -0.86 0.15 115.11 121.17 3gza h GLN 83 Ca 0.11 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.41 3gza h GLN 83 Cb 0.47 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 3gza h GLN 83 CO 0.02 0.66 0.05 0.00 -1.93 0.00 0.00 178.83 177.63 3gza h ALA 84 N 1.40 0.60 -0.47 3.38 0.00 -0.98 -2.15 119.26 121.05 3gza h ALA 84 Ca 0.37 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 3gza h ALA 84 Cb 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3gza h ALA 84 CO -0.16 0.35 -0.17 0.00 0.00 0.00 0.00 179.25 179.27 3gza h ALA 85 N 0.94 0.65 -0.95 0.00 0.00 -0.87 -3.11 119.26 115.91 3gza h ALA 85 Ca 0.13 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.71 3gza h ALA 85 Cb 0.42 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3gza h ALA 85 CO 0.01 0.60 0.62 -0.22 0.00 0.00 0.00 179.25 180.26 3gza h LYS 86 N 0.78 1.16 0.00 0.00 3.64 -0.52 -1.86 116.57 119.77 3gza h LYS 86 Ca 0.11 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3gza h LYS 86 Cb 0.74 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3gza h LYS 86 CO 0.06 0.77 -0.01 0.00 -2.27 0.00 0.00 179.45 178.00 3gza h ALA 87 N 1.45 1.16 0.00 5.00 0.00 -1.32 -1.40 119.26 124.14 3gza h ALA 87 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3gza h ALA 87 Cb 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3gza h ALA 87 CO -0.12 0.01 -0.34 0.00 0.00 0.00 0.00 179.25 178.80 3gza h ALA 88 N 1.99 0.81 0.00 0.00 0.00 -1.32 -3.16 119.26 117.59 3gza h ALA 88 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gza h ALA 88 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3gza h ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3gza n GLY 89 N 1.21 1.18 3.75 0.00 0.00 -0.53 -3.40 105.19 107.40 3gza n GLY 89 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3gza n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gza n LYS 91 N 1.77 4.42 -4.08 0.00 4.76 -1.26 -4.44 118.16 119.33 3gza n LYS 91 Ca 0.03 -0.02 -0.07 0.00 -2.87 0.00 0.00 58.31 55.38 3gza n LYS 91 Cb 0.43 -0.86 -0.10 0.00 -1.84 0.00 0.00 35.03 32.65 3gza n LYS 91 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 3gza s PHE 92 N -1.69 0.51 -0.07 2.13 -0.71 -1.26 -1.48 117.98 115.41 3gza s PHE 92 Ca 0.03 -1.02 -0.06 0.00 -1.04 0.00 0.00 56.93 54.85 3gza s PHE 92 Cb 0.06 -0.38 0.02 0.00 -1.21 0.00 0.00 43.02 41.51 3gza s PHE 92 CO 0.31 -0.36 0.17 0.00 -1.34 0.00 0.00 175.22 174.00 3gza s ALA 93 N -3.69 -0.42 -0.04 1.99 0.00 -0.47 -1.76 121.76 117.38 3gza s ALA 93 Ca 0.05 0.53 0.04 0.00 0.00 0.00 0.00 51.96 52.59 3gza s ALA 93 Cb 0.06 -0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 3gza s ALA 93 CO -0.09 -0.10 -0.17 0.08 0.00 0.00 0.00 175.76 175.48 3gza s VAL 94 N 0.27 1.45 -0.05 0.00 1.01 0.25 -0.63 120.40 122.70 3gza s VAL 94 Ca -0.02 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.27 3gza s VAL 94 Cb -0.03 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 3gza s VAL 94 CO -0.01 0.42 -0.15 -0.22 0.00 0.00 0.00 175.10 175.14 3gza s LEU 95 N -0.00 2.72 -0.64 3.92 2.96 -1.01 -0.38 118.68 126.24 3gza s LEU 95 Ca -0.03 -0.20 -0.27 0.00 -0.22 0.00 0.00 54.13 53.40 3gza s LEU 95 Cb -0.11 -1.55 0.01 0.00 0.50 0.00 0.00 46.19 45.04 3gza s LEU 95 CO 0.02 0.34 1.48 0.42 -1.32 0.00 0.00 176.35 177.29 3gza s THR 96 N -0.70 3.65 0.22 3.68 -4.23 -0.76 -0.72 115.64 116.77 3gza s THR 96 Ca 0.11 0.44 -0.06 0.00 -1.18 0.00 0.00 61.69 61.00 3gza s THR 96 Cb -0.11 -4.50 0.09 0.00 1.34 0.00 0.00 72.50 69.33 3gza s THR 96 CO 0.01 -1.37 1.70 0.00 -0.54 0.00 0.00 174.62 174.41 3gza h ALA 97 N 11.68 0.97 -2.35 3.99 0.00 -1.39 -3.43 119.26 128.73 3gza h ALA 97 Ca -0.27 -0.29 -0.22 0.00 0.00 0.00 0.00 54.91 54.13 3gza h ALA 97 Cb 1.09 -0.21 -0.15 0.00 0.00 0.00 0.00 17.79 18.52 3gza h ALA 97 CO 1.23 0.63 -0.66 0.95 0.00 0.00 0.00 179.25 181.40 3gza s THR 98 N -5.02 0.35 0.00 0.00 -4.23 -1.25 -1.01 115.64 104.48 3gza s THR 98 Ca -0.11 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 3gza s THR 98 Cb 0.14 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.97 3gza s THR 98 CO 0.84 -0.53 0.00 1.57 -0.54 0.00 0.00 174.62 175.95 3gza n HIS 99 N -0.13 0.00 0.00 3.99 -0.00 -1.26 -2.39 115.22 115.43 3gza n HIS 99 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.65 3gza n HIS 99 Cb 0.63 0.05 0.00 0.00 -0.00 0.00 0.00 29.99 30.67 3gza n HIS 99 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3gza n GLU 100 N -1.16 2.73 0.23 1.57 1.02 -1.26 -4.23 120.64 119.53 3gza n GLU 100 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 3gza n GLU 100 Cb 0.00 -0.61 0.42 0.00 -0.02 0.00 0.00 31.44 31.22 3gza n GLU 100 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 3gza h THR 101 N 0.00 0.27 0.00 2.62 1.35 -1.85 -2.07 112.91 113.24 3gza h THR 101 Ca 0.00 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 3gza h THR 101 Cb 0.11 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 3gza h THR 101 CO 0.00 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 3gza n GLY 102 N 0.46 0.28 3.73 5.82 0.00 -1.26 -2.24 105.19 111.98 3gza n GLY 102 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3gza n GLY 102 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gza s PHE 103 N -2.09 3.33 -0.16 1.61 5.36 -1.26 -4.83 117.98 119.93 3gza s PHE 103 Ca 0.00 1.28 -0.04 0.00 -0.96 0.00 0.00 56.93 57.20 3gza s PHE 103 Cb 0.00 -3.53 -0.03 0.00 -0.34 0.00 0.00 43.02 39.12 3gza s PHE 103 CO 0.00 -1.63 -0.02 0.20 -1.46 0.00 0.00 175.22 172.31 3gza s GLY 104 N 0.38 1.75 -0.17 13.12 0.00 -0.22 -4.37 107.32 117.82 3gza s GLY 104 Ca 0.56 -0.82 -0.00 0.00 0.00 0.00 0.00 44.72 44.46 3gza s GLY 104 CO 0.36 -0.03 1.80 1.04 0.00 0.00 0.00 173.10 176.28 3gza n LEU 105 N 3.57 5.45 -4.07 0.66 4.77 -0.18 -2.61 117.00 124.59 3gza n LEU 105 Ca -0.17 -2.69 -0.12 0.00 -0.03 0.00 0.00 56.01 53.00 3gza n LEU 105 Cb 0.52 -0.95 -0.05 0.00 -2.33 0.00 0.00 43.42 40.61 3gza n LEU 105 CO 0.33 1.00 0.10 -1.66 -1.33 0.00 0.00 177.39 175.84 3gza s TRP 106 N -1.00 0.83 -1.10 -1.77 -2.14 -1.26 -1.56 118.94 110.94 3gza s TRP 106 Ca 0.17 -1.11 -0.19 0.00 2.66 0.00 0.00 56.10 57.64 3gza s TRP 106 Cb 0.14 -0.05 0.10 0.00 -3.10 0.00 0.00 33.47 30.56 3gza s TRP 106 CO 0.01 -1.02 1.42 -0.65 -2.66 0.00 0.00 176.95 174.05 3gza s GLN 107 N -3.54 3.79 0.23 3.25 -1.52 -1.26 -3.05 119.66 117.56 3gza s GLN 107 Ca 0.29 -1.80 -0.12 0.00 -1.95 0.00 0.00 55.36 51.78 3gza s GLN 107 Cb 0.01 -5.22 -0.07 0.00 -0.22 0.00 0.00 33.01 27.51 3gza s GLN 107 CO 0.15 -2.01 0.59 0.45 -0.25 0.00 0.00 175.29 174.22 3gza s SER 108 N 3.99 6.70 0.00 5.90 0.15 -1.26 -4.98 113.70 124.19 3gza s SER 108 Ca 0.43 1.02 0.15 0.00 0.70 0.00 0.00 55.95 58.26 3gza s SER 108 Cb -0.01 -2.27 0.29 0.00 -1.71 0.00 0.00 66.02 62.32 3gza s SER 108 CO -0.04 -0.06 1.19 0.47 1.20 0.00 0.00 173.24 176.00 3gza n ASP 109 N 0.02 2.83 0.00 5.45 8.00 -1.26 -4.62 116.55 126.97 3gza n ASP 109 Ca -0.00 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.66 3gza n ASP 109 Cb 0.52 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 3gza n ASP 109 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3gza n VAL 110 N 0.86 0.00 -3.50 2.53 0.24 -1.26 -4.96 118.33 112.25 3gza n VAL 110 Ca 0.13 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.00 3gza n VAL 110 Cb 0.44 -0.48 -0.10 0.00 -1.47 0.00 0.00 33.84 32.23 3gza n VAL 110 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3gza s ASN 111 N -2.97 5.97 0.36 -1.34 2.47 -1.26 -4.94 114.94 113.23 3gza s ASN 111 Ca 0.00 -1.06 0.26 0.00 0.42 0.00 0.00 52.86 52.49 3gza s ASN 111 Cb 0.00 -2.11 0.80 0.00 -1.45 0.00 0.00 41.25 38.49 3gza s ASN 111 CO 0.00 -0.48 1.75 1.55 -3.72 0.00 0.00 177.10 176.21 3gza h PRO 112 N 8.58 0.00 -4.54 0.43 0.13 -1.93 -3.36 132.00 131.32 3gza h PRO 112 Ca -0.26 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.13 3gza h PRO 112 Cb 1.11 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.09 3gza h PRO 112 CO 0.74 0.00 1.75 0.98 -0.23 0.00 0.00 178.00 181.24 3gza n TYR 113 N -2.69 4.33 -3.45 1.56 9.36 -1.26 -4.38 117.16 120.63 3gza n TYR 113 Ca 0.03 -3.12 0.00 0.00 3.32 0.00 0.00 57.90 58.13 3gza n TYR 113 Cb 0.40 -2.21 0.00 0.00 -0.63 0.00 0.00 39.34 36.90 3gza n TYR 113 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3gza n LEU 115 N 0.00 0.17 0.27 0.00 4.77 -1.07 -1.18 117.00 119.95 3gza n LEU 115 Ca 0.00 0.55 0.15 0.00 -0.03 0.00 0.00 56.01 56.68 3gza n LEU 115 Cb 0.00 -0.54 0.70 0.00 -2.33 0.00 0.00 43.42 41.25 3gza n LEU 115 CO 0.00 -0.41 0.96 0.11 -1.33 0.00 0.00 177.39 176.72 3gza h LYS 116 N 0.00 0.00 0.00 3.23 1.57 -1.80 -3.25 116.57 116.32 3gza h LYS 116 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gza h LYS 116 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3gza h LYS 116 CO 0.00 0.09 -0.45 0.00 -0.57 0.00 0.00 179.45 178.52 3gza h ALA 117 N 1.91 0.74 -2.23 3.86 0.00 -1.35 -3.43 119.26 118.76 3gza h ALA 117 Ca -0.00 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 3gza h ALA 117 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3gza h ALA 117 CO 0.01 0.00 -0.38 0.14 0.00 0.00 0.00 179.25 179.02 3gza s VAL 118 N -3.22 5.23 0.23 0.00 -7.23 -1.23 -5.02 120.40 109.16 3gza s VAL 118 Ca 0.05 -0.85 0.05 0.00 -1.81 0.00 0.00 61.98 59.42 3gza s VAL 118 Cb 0.10 -3.85 -0.06 0.00 0.56 0.00 0.00 36.38 33.13 3gza s VAL 118 CO 0.70 -0.36 1.53 0.11 -0.31 0.00 0.00 175.10 176.78 3gza h LYS 119 N 1.17 0.18 -6.50 4.82 1.79 -1.89 -2.47 116.57 113.67 3gza h LYS 119 Ca -0.51 -0.14 -0.59 0.00 -2.18 0.00 0.00 60.65 57.22 3gza h LYS 119 Cb 1.22 0.03 0.06 0.00 -1.58 0.00 0.00 32.23 31.96 3gza h LYS 119 CO 0.62 0.78 0.72 1.87 -1.08 0.00 0.00 179.45 182.36 3gza n TRP 120 N -3.81 2.16 -2.16 -1.35 -0.00 -1.26 -0.98 117.44 110.04 3gza n TRP 120 Ca -0.02 0.34 -0.15 0.00 -0.00 0.00 0.00 57.50 57.67 3gza n TRP 120 Cb 0.66 -2.50 -0.02 0.00 -0.00 0.00 0.00 31.31 29.44 3gza n TRP 120 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 3gza n ARG 121 N 3.03 -1.86 -2.54 5.87 1.74 -1.26 -2.36 116.66 119.29 3gza n ARG 121 Ca 0.16 0.77 -0.18 0.00 -0.77 0.00 0.00 57.85 57.84 3gza n ARG 121 Cb 0.28 -5.30 -0.00 0.00 -1.02 0.00 0.00 32.46 26.42 3gza n ARG 121 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3gza n ASP 122 N -1.56 -4.96 0.00 0.55 2.03 -0.16 -1.43 116.55 111.03 3gza n ASP 122 Ca -0.17 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.16 3gza n ASP 122 Cb 0.60 -4.14 0.00 0.00 -0.72 0.00 0.00 41.12 36.86 3gza n ASP 122 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gza n GLY 123 N -0.99 0.43 0.40 0.27 0.00 -0.93 -4.89 105.19 99.48 3gza n GLY 123 Ca -0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.89 3gza n GLY 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gza n LYS 124 N -2.30 0.83 -2.31 1.61 5.02 -0.52 -3.90 118.16 116.60 3gza n LYS 124 Ca 0.00 -1.24 -0.36 0.00 -2.02 0.00 0.00 58.31 54.70 3gza n LYS 124 Cb 0.08 -1.18 -0.01 0.00 -0.02 0.00 0.00 35.03 33.90 3gza n LYS 124 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3gza s GLY 125 N -0.81 2.68 -0.30 0.72 0.00 -1.25 -5.01 107.32 103.35 3gza s GLY 125 Ca 0.12 0.83 -0.01 0.00 0.00 0.00 0.00 44.72 45.66 3gza s GLY 125 CO 0.12 1.22 0.23 -0.35 0.00 0.00 0.00 173.10 174.32 3gza s ASP 126 N -1.64 2.45 0.18 1.64 -1.08 -1.26 -4.28 116.67 112.66 3gza s ASP 126 Ca 0.68 -1.15 -0.03 0.00 -0.52 0.00 0.00 52.55 51.54 3gza s ASP 126 Cb -0.25 0.11 0.06 0.00 -1.46 0.00 0.00 42.92 41.39 3gza s ASP 126 CO 0.29 -0.39 1.45 0.40 0.52 0.00 0.00 175.17 177.43 3gza h ILE 127 N 6.12 1.35 -0.61 4.11 2.04 -1.73 -1.76 117.51 127.03 3gza h ILE 127 Ca -0.13 -2.02 0.06 0.00 1.00 0.00 0.00 64.86 63.77 3gza h ILE 127 Cb 1.04 2.00 -0.05 0.00 -0.74 0.00 0.00 36.82 39.06 3gza h ILE 127 CO 0.36 0.61 0.32 0.58 0.00 0.00 0.00 178.15 180.02 3gza h VAL 128 N 0.34 0.94 -0.09 1.67 2.07 -1.68 0.15 116.25 119.65 3gza h VAL 128 Ca -0.02 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 3gza h VAL 128 Cb 1.24 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3gza h VAL 128 CO 0.12 0.11 0.04 -0.09 0.02 0.00 0.00 177.57 177.77 3gza h ARG 129 N 0.59 0.12 -0.48 1.57 2.43 -1.79 -0.60 114.38 116.22 3gza h ARG 129 Ca 0.28 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.52 3gza h ARG 129 Cb 0.20 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.65 3gza h ARG 129 CO -0.19 0.21 0.03 -0.44 -1.51 0.00 0.00 179.97 178.06 3gza h ASP 130 N 0.01 -0.14 0.24 -3.80 5.19 -1.01 -1.86 116.42 115.05 3gza h ASP 130 Ca 0.03 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.53 3gza h ASP 130 Cb 0.12 0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.81 3gza h ASP 130 CO -0.00 -0.04 -0.11 0.15 -3.12 0.00 0.00 179.24 176.11 3gza h PHE 131 N 0.15 -0.30 -0.57 4.55 3.57 -0.36 0.71 116.94 124.69 3gza h PHE 131 Ca 0.24 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 3gza h PHE 131 Cb 0.35 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 3gza h PHE 131 CO -0.28 -0.15 0.11 -0.39 -2.23 0.00 0.00 178.31 175.37 3gza h VAL 132 N -0.37 1.24 -0.58 1.41 -1.51 -1.00 -0.43 116.25 115.01 3gza h VAL 132 Ca -0.03 -0.90 0.02 0.00 -1.23 0.00 0.00 66.70 64.56 3gza h VAL 132 Cb 0.28 0.69 -0.04 0.00 -2.13 0.00 0.00 31.29 30.09 3gza h VAL 132 CO 0.05 0.33 0.36 0.78 -1.23 0.00 0.00 177.57 177.87 3gza h ASN 133 N 0.85 0.60 -0.41 4.19 2.35 -1.13 -1.85 115.58 120.19 3gza h ASN 133 Ca 0.18 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 3gza h ASN 133 Cb 0.35 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 3gza h ASN 133 CO 0.00 0.42 0.23 0.28 -1.65 0.00 0.00 177.43 176.71 3gza h SER 134 N 0.72 0.51 -0.29 5.81 0.02 -0.42 -1.02 113.55 118.87 3gza h SER 134 Ca 0.23 -0.08 0.04 0.00 -0.84 0.00 0.00 61.79 61.14 3gza h SER 134 Cb 0.00 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 3gza h SER 134 CO -0.09 0.44 0.05 0.00 -1.14 0.00 0.00 176.83 176.10 3gza h ARG 136 N 0.16 0.54 -0.93 0.00 3.08 -1.13 0.81 114.38 116.91 3gza h ARG 136 Ca 0.13 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3gza h ARG 136 Cb 0.14 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 3gza h ARG 136 CO -0.18 0.62 0.54 -0.22 -1.07 0.00 0.00 179.97 179.66 3gza h LYS 137 N 0.51 1.28 -0.29 0.04 3.64 -0.79 -2.86 116.57 118.09 3gza h LYS 137 Ca 0.10 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3gza h LYS 137 Cb 0.44 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3gza h LYS 137 CO 0.02 0.91 0.00 0.66 -2.27 0.00 0.00 179.45 178.77 3gza n TYR 138 N -4.34 0.37 -1.25 1.91 4.01 -0.89 -4.96 117.16 112.01 3gza n TYR 138 Ca 0.10 -0.18 -0.02 0.00 -0.16 0.00 0.00 57.90 57.64 3gza n TYR 138 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.10 3gza n TYR 138 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gza n GLY 139 N 1.38 0.51 3.88 2.72 0.00 -0.52 -5.05 105.19 108.10 3gza n GLY 139 Ca 0.18 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 3gza n GLY 139 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gza s LEU 140 N -0.55 4.31 -0.15 0.99 1.02 0.16 -4.94 118.68 119.52 3gza s LEU 140 Ca 0.00 0.36 -0.26 0.00 0.02 0.00 0.00 54.13 54.25 3gza s LEU 140 Cb 0.00 -2.38 -0.02 0.00 0.02 0.00 0.00 46.19 43.81 3gza s LEU 140 CO 0.00 0.31 0.84 -1.10 0.02 0.00 0.00 176.35 176.42 3gza s GLN 141 N -1.59 4.33 0.16 1.70 -0.21 -0.55 -3.69 119.66 119.81 3gza s GLN 141 Ca 0.22 1.05 -0.27 0.00 0.02 0.00 0.00 55.36 56.39 3gza s GLN 141 Cb -0.12 -3.55 -0.08 0.00 1.00 0.00 0.00 33.01 30.26 3gza s GLN 141 CO 0.13 -0.28 0.82 -1.25 -2.12 0.00 0.00 175.29 172.59 3gza s PRO 142 N 1.96 4.63 0.31 2.91 0.04 -1.26 -1.37 135.00 142.22 3gza s PRO 142 Ca 0.40 1.23 0.03 0.00 0.04 0.00 0.00 61.00 62.70 3gza s PRO 142 Cb -0.17 -3.29 -0.06 0.00 0.04 0.00 0.00 34.50 31.03 3gza s PRO 142 CO 0.14 0.50 0.08 0.20 0.04 0.00 0.00 177.00 177.95 3gza s GLY 143 N -0.93 2.02 -0.03 0.56 0.00 0.20 0.06 107.32 109.21 3gza s GLY 143 Ca 0.38 -1.94 0.02 0.00 0.00 0.00 0.00 44.72 43.17 3gza s GLY 143 CO 0.27 -1.75 -0.06 -0.42 0.00 0.00 0.00 173.10 171.13 3gza s ILE 144 N -3.42 0.60 -0.18 0.90 1.01 -1.26 -2.41 121.20 116.43 3gza s ILE 144 Ca 0.36 -0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.69 3gza s ILE 144 Cb 0.08 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 3gza s ILE 144 CO 0.15 0.20 0.07 -0.47 0.00 0.00 0.00 174.94 174.89 3gza s TYR 145 N 0.34 3.28 -0.26 3.97 6.14 0.10 -1.04 117.35 129.88 3gza s TYR 145 Ca -0.05 0.12 0.03 0.00 0.64 0.00 0.00 57.07 57.81 3gza s TYR 145 Cb -0.09 -2.07 0.06 0.00 0.42 0.00 0.00 41.96 40.28 3gza s TYR 145 CO 0.00 0.20 -0.10 0.42 0.64 0.00 0.00 175.55 176.71 3gza s ILE 146 N 0.28 2.11 -0.39 3.14 1.01 0.56 -0.94 121.20 126.97 3gza s ILE 146 Ca 0.04 -1.62 -0.18 0.00 0.00 0.00 0.00 60.65 58.89 3gza s ILE 146 Cb -0.12 -2.25 0.01 0.00 0.01 0.00 0.00 42.46 40.11 3gza s ILE 146 CO -0.00 -0.05 0.47 -0.83 0.00 0.00 0.00 174.94 174.53 3gza s GLY 147 N 1.12 1.85 0.00 6.18 0.00 -1.01 -2.56 107.32 112.90 3gza s GLY 147 Ca -0.08 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.37 3gza s GLY 147 CO -0.05 1.22 0.03 0.29 0.00 0.00 0.00 173.10 174.58 3gza n ILE 148 N 5.46 0.00 -0.00 0.90 -5.35 -1.26 -4.02 119.36 115.09 3gza n ILE 148 Ca -0.06 -0.22 0.02 0.00 -0.27 0.00 0.00 62.75 62.22 3gza n ILE 148 Cb 0.48 1.08 0.36 0.00 -1.74 0.00 0.00 39.64 39.82 3gza n ILE 148 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 3gza h ARG 149 N 0.00 0.53 -5.47 6.28 3.08 -1.86 -3.42 114.38 113.53 3gza h ARG 149 Ca 0.00 -0.07 -0.59 0.00 0.07 0.00 0.00 59.98 59.39 3gza h ARG 149 Cb 0.04 -0.10 -0.31 0.00 0.08 0.00 0.00 29.97 29.68 3gza h ARG 149 CO 0.00 0.45 -0.85 -1.58 -1.07 0.00 0.00 179.97 176.92 3gza s TRP 150 N -5.24 1.86 -0.26 3.04 0.52 -1.26 0.14 118.94 117.74 3gza s TRP 150 Ca -0.08 -0.53 -0.03 0.00 0.02 0.00 0.00 56.10 55.48 3gza s TRP 150 Cb 0.16 -1.24 0.11 0.00 -1.15 0.00 0.00 33.47 31.35 3gza s TRP 150 CO 0.75 -0.17 0.20 1.21 0.02 0.00 0.00 176.95 178.96 3gza s ASN 151 N -0.02 2.33 0.21 2.95 3.84 -0.98 -4.31 114.94 118.95 3gza s ASN 151 Ca -0.03 -0.82 -0.01 0.00 0.21 0.00 0.00 52.86 52.21 3gza s ASN 151 Cb -0.12 0.11 0.16 0.00 -0.55 0.00 0.00 41.25 40.85 3gza s ASN 151 CO 0.02 -0.39 1.52 0.77 -2.79 0.00 0.00 177.10 176.23 3gza h SER 152 N 8.34 0.50 -0.65 -4.21 4.64 -1.24 -0.47 113.55 120.46 3gza h SER 152 Ca -0.17 -0.28 0.08 0.00 -0.47 0.00 0.00 61.79 60.96 3gza h SER 152 Cb 1.08 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 62.96 3gza h SER 152 CO 0.36 0.97 0.32 0.25 -0.87 0.00 0.00 176.83 177.85 3gza h LEU 153 N 0.34 0.42 -1.13 5.97 5.85 -1.74 -2.78 115.31 122.24 3gza h LEU 153 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3gza h LEU 153 Cb 1.11 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3gza h LEU 153 CO 0.10 0.26 -0.07 0.18 -0.34 0.00 0.00 178.44 178.57 3gza n LEU 154 N -4.87 1.82 -1.69 2.25 4.77 -1.12 -4.96 117.00 113.19 3gza n LEU 154 Ca 0.09 -0.60 -0.13 0.00 -0.03 0.00 0.00 56.01 55.34 3gza n LEU 154 Cb 0.23 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.31 3gza n LEU 154 CO 0.26 0.31 -0.05 0.61 -1.33 0.00 0.00 177.39 177.18 3gza n GLY 155 N 1.26 -0.06 3.73 -0.72 0.00 -0.32 -4.96 105.19 104.12 3gza n GLY 155 Ca 0.16 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 3gza n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gza s ILE 156 N -2.80 5.25 -0.25 -0.61 -1.09 -0.43 -4.30 121.20 116.97 3gza s ILE 156 Ca 0.11 0.72 0.00 0.00 -2.23 0.00 0.00 60.65 59.25 3gza s ILE 156 Cb -0.05 -3.71 0.07 0.00 -1.58 0.00 0.00 42.46 37.19 3gza s ILE 156 CO 0.14 0.37 -0.01 -1.00 -1.23 0.00 0.00 174.94 173.21 3gza s HIS 157 N 0.46 2.21 -1.34 3.97 3.76 0.05 -2.31 115.29 122.09 3gza s HIS 157 Ca 0.20 -1.71 -0.03 0.00 -0.15 0.00 0.00 55.06 53.37 3gza s HIS 157 Cb -0.14 -1.61 -0.00 0.00 1.11 0.00 0.00 32.58 31.94 3gza s HIS 157 CO 0.07 -0.78 0.54 -1.71 -0.85 0.00 0.00 174.74 172.01 3gza n ASN 158 N 4.72 -1.30 0.00 1.40 5.15 0.12 -1.50 115.26 123.85 3gza n ASN 158 Ca -0.09 -0.97 0.00 0.00 -0.60 0.00 0.00 54.58 52.92 3gza n ASN 158 Cb 0.44 -3.34 0.00 0.00 -0.53 0.00 0.00 39.78 36.35 3gza n ASN 158 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3gza n PHE 159 N -4.34 0.00 -3.38 1.20 3.72 -0.34 -5.00 117.46 109.32 3gza n PHE 159 Ca -0.27 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.75 3gza n PHE 159 Cb 0.67 -0.32 -0.06 0.00 -0.94 0.00 0.00 39.48 38.83 3gza n PHE 159 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3gza s LYS 160 N -0.01 4.05 0.08 -1.08 1.02 -0.56 -4.90 119.74 118.34 3gza s LYS 160 Ca 0.00 0.56 -0.07 0.00 0.02 0.00 0.00 55.97 56.48 3gza s LYS 160 Cb 0.00 -3.18 -0.05 0.00 -0.52 0.00 0.00 37.83 34.07 3gza s LYS 160 CO 0.00 0.64 0.35 0.00 -0.92 0.00 0.00 175.35 175.42 3gza s ALA 161 N -1.16 3.79 0.26 5.17 0.00 -1.26 -0.77 121.76 127.79 3gza s ALA 161 Ca 0.28 -0.50 -0.05 0.00 0.00 0.00 0.00 51.96 51.69 3gza s ALA 161 Cb -0.18 -2.16 -0.05 0.00 0.00 0.00 0.00 23.12 20.73 3gza s ALA 161 CO 0.17 0.63 0.52 -1.21 0.00 0.00 0.00 175.76 175.87 3gza s GLU 162 N -2.12 3.65 0.00 0.00 0.41 -1.26 -4.87 118.70 114.51 3gza s GLU 162 Ca 0.34 0.01 0.00 0.00 -0.41 0.00 0.00 54.97 54.91 3gza s GLU 162 Cb -0.13 -2.68 0.00 0.00 -1.78 0.00 0.00 34.13 29.54 3gza s GLU 162 CO 0.20 0.27 0.00 0.41 -0.49 0.00 0.00 175.26 175.65 3gza n GLY 163 N -0.67 3.66 0.27 -1.39 0.00 -1.26 -4.59 105.19 101.21 3gza n GLY 163 Ca -0.02 -1.79 0.13 0.00 0.00 0.00 0.00 46.02 44.34 3gza n GLY 163 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gza n GLU 164 N -1.33 0.86 0.00 1.61 -0.58 -1.26 -4.79 120.64 115.15 3gza n GLU 164 Ca 0.00 -0.55 0.00 0.00 -0.42 0.00 0.00 57.16 56.19 3gza n GLU 164 Cb 0.00 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 3gza n GLU 164 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gza n GLY 165 N 1.36 5.21 0.36 0.62 0.00 -1.26 -5.03 105.19 106.45 3gza n GLY 165 Ca 0.11 -1.30 0.02 0.00 0.00 0.00 0.00 46.02 44.86 3gza n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gza h ALA 166 N 1.03 1.45 -0.22 4.61 0.00 -1.99 -1.87 119.26 122.28 3gza h ALA 166 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3gza h ALA 166 Cb 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3gza h ALA 166 CO 0.00 0.45 0.10 0.35 0.00 0.00 0.00 179.25 180.15 3gza h PHE 167 N 1.10 0.19 -0.47 0.00 3.57 -1.97 0.17 116.94 119.52 3gza h PHE 167 Ca 0.36 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.85 3gza h PHE 167 Cb 0.06 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3gza h PHE 167 CO -0.00 0.10 0.21 0.00 -2.23 0.00 0.00 178.31 176.39 3gza h ALA 168 N 1.12 0.61 -0.93 2.41 0.00 -1.72 -0.74 119.26 120.01 3gza h ALA 168 Ca 0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3gza h ALA 168 Cb 0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3gza h ALA 168 CO -0.07 0.20 0.56 0.00 0.00 0.00 0.00 179.25 179.94 3gza h ARG 169 N 0.62 1.26 -0.08 0.00 3.08 -0.89 -0.40 114.38 117.98 3gza h ARG 169 Ca 0.16 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 3gza h ARG 169 Cb 0.16 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 3gza h ARG 169 CO -0.02 0.88 0.04 -0.91 -1.07 0.00 0.00 179.97 178.89 3gza h ASN 170 N 1.28 0.09 -0.71 7.04 2.35 -0.24 -1.44 115.58 123.95 3gza h ASN 170 Ca 0.33 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 3gza h ASN 170 Cb -0.06 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 3gza h ASN 170 CO -0.06 0.15 0.38 0.03 -1.65 0.00 0.00 177.43 176.28 3gza h ARG 171 N 0.03 1.02 -0.42 0.81 3.08 -0.85 0.73 114.38 118.78 3gza h ARG 171 Ca 0.03 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 3gza h ARG 171 Cb 0.08 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 3gza h ARG 171 CO -0.00 0.76 0.15 0.37 -1.07 0.00 0.00 179.97 180.17 3gza h GLN 172 N 1.02 0.64 -0.49 0.04 4.15 -0.87 0.52 115.11 120.13 3gza h GLN 172 Ca 0.26 -0.13 -0.11 0.00 0.77 0.00 0.00 58.65 59.43 3gza h GLN 172 Cb 0.06 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 3gza h GLN 172 CO -0.04 0.62 -0.15 0.00 -1.93 0.00 0.00 178.83 177.33 3gza h ALA 173 N 0.99 0.81 -0.79 3.38 0.00 -1.04 -1.82 119.26 120.79 3gza h ALA 173 Ca 0.14 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3gza h ALA 173 Cb 0.23 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3gza h ALA 173 CO -0.01 0.66 0.37 2.35 0.00 0.00 0.00 179.25 182.62 3gza h TRP 174 N 0.83 1.15 -0.64 0.00 7.01 -0.72 -2.47 115.95 121.11 3gza h TRP 174 Ca 0.12 -0.06 -0.06 0.00 2.11 0.00 0.00 58.89 61.00 3gza h TRP 174 Cb 0.70 -0.35 -0.03 0.00 -2.10 0.00 0.00 29.16 27.38 3gza h TRP 174 CO 0.04 0.84 0.16 -0.92 -2.79 0.00 0.00 178.44 175.77 3gza h TYR 175 N 1.12 1.07 -0.45 2.65 3.20 -0.58 0.50 116.97 124.48 3gza h TYR 175 Ca 0.27 -0.13 0.07 0.00 3.14 0.00 0.00 58.73 62.08 3gza h TYR 175 Cb 0.13 -0.30 -0.06 0.00 1.54 0.00 0.00 36.73 38.04 3gza h TYR 175 CO 0.01 0.89 0.12 -0.22 -1.64 0.00 0.00 178.16 177.33 3gza h LYS 176 N 0.95 0.27 -0.70 1.82 3.64 -1.09 0.02 116.57 121.48 3gza h LYS 176 Ca 0.20 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 3gza h LYS 176 Cb 0.35 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 3gza h LYS 176 CO 0.00 0.18 0.37 0.00 -2.27 0.00 0.00 179.45 177.73 3gza h ARG 177 N 0.27 0.97 -0.58 1.90 3.08 -0.96 -1.53 114.38 117.54 3gza h ARG 177 Ca 0.22 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 60.16 3gza h ARG 177 Cb 0.25 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3gza h ARG 177 CO -0.26 0.73 0.38 1.25 -1.07 0.00 0.00 179.97 181.00 3gza h LEU 178 N 0.98 0.66 -0.24 3.04 5.85 -0.05 0.64 115.31 126.18 3gza h LEU 178 Ca 0.25 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 3gza h LEU 178 Cb 0.05 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3gza h LEU 178 CO -0.04 0.48 0.15 0.00 -0.34 0.00 0.00 178.44 178.68 3gza h GLU 180 N 0.30 0.87 -1.35 0.00 5.08 -0.95 -1.23 114.58 117.30 3gza h GLU 180 Ca 0.09 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3gza h GLU 180 Cb 0.03 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.08 3gza h GLU 180 CO -0.02 0.58 0.00 1.63 -1.00 0.00 0.00 179.01 180.20 3gza n LYS 181 N -4.65 0.35 0.00 2.33 5.02 0.19 -1.08 118.16 120.33 3gza n LYS 181 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 3gza n LYS 181 Cb 0.09 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 3gza n LYS 181 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3gza n VAL 183 N 0.71 0.00 -0.15 -0.18 0.31 -0.47 -1.50 118.33 117.06 3gza n VAL 183 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 3gza n VAL 183 Cb 0.16 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.10 3gza n VAL 183 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3gza h THR 184 N 0.00 1.11 -0.22 2.52 2.02 -1.35 -0.57 112.91 116.42 3gza h THR 184 Ca 0.00 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 66.98 3gza h THR 184 Cb 0.00 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3gza h THR 184 CO 0.00 0.11 0.12 -0.33 0.37 0.00 0.00 175.52 175.79 3gza h GLU 185 N 0.60 0.25 0.00 6.66 5.08 -1.55 -2.02 114.58 123.61 3gza h GLU 185 Ca 0.17 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 3gza h GLU 185 Cb -0.06 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3gza h GLU 185 CO -0.04 0.17 -0.34 -0.07 -1.00 0.00 0.00 179.01 177.72 3gza h LEU 186 N 0.26 0.00 -0.11 1.33 3.38 -1.75 -2.16 115.31 116.25 3gza h LEU 186 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3gza h LEU 186 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3gza h LEU 186 CO -0.04 0.34 -0.32 0.00 0.09 0.00 0.00 178.44 178.51 3gza n THR 188 N -1.29 0.00 0.34 0.00 -2.24 -0.78 -4.64 114.28 105.67 3gza n THR 188 Ca 0.08 -0.29 0.04 0.00 -2.27 0.00 0.00 64.05 61.61 3gza n THR 188 Cb 0.33 0.79 0.01 0.00 -2.10 0.00 0.00 70.33 69.36 3gza n THR 188 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3gza n ARG 189 N -1.23 1.54 -0.53 -0.78 1.74 -0.84 -4.65 116.66 111.90 3gza n ARG 189 Ca 0.00 -0.68 0.06 0.00 -0.77 0.00 0.00 57.85 56.46 3gza n ARG 189 Cb 0.02 -1.06 0.11 0.00 -1.02 0.00 0.00 32.46 30.52 3gza n ARG 189 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3gza n TYR 190 N -0.05 0.00 -4.13 -1.55 4.01 -1.26 -5.07 117.16 109.10 3gza n TYR 190 Ca 0.04 -0.87 0.00 0.00 -0.16 0.00 0.00 57.90 56.91 3gza n TYR 190 Cb 0.17 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 3gza n TYR 190 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gza n GLY 191 N -0.76 -1.78 3.72 2.72 0.00 -1.26 -4.84 105.19 102.99 3gza n GLY 191 Ca 0.12 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 3gza n GLY 191 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gza s ASP 192 N -4.00 7.43 0.07 1.61 1.01 -1.26 -4.86 116.67 116.67 3gza s ASP 192 Ca 0.00 1.80 0.05 0.00 0.71 0.00 0.00 52.55 55.10 3gza s ASP 192 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 3gza s ASP 192 CO 0.00 -0.14 -0.04 -0.76 0.21 0.00 0.00 175.17 174.43 3gza s LEU 193 N 0.26 3.28 0.41 1.23 1.43 -1.26 -4.73 118.68 119.29 3gza s LEU 193 Ca 0.49 -0.21 0.21 0.00 -1.03 0.00 0.00 54.13 53.58 3gza s LEU 193 Cb -0.24 -1.99 0.79 0.00 0.03 0.00 0.00 46.19 44.78 3gza s LEU 193 CO 0.30 0.21 1.78 0.22 0.23 0.00 0.00 176.35 179.08 3gza h TYR 194 N 3.82 0.00 -3.34 0.29 3.20 -0.68 -3.36 116.97 116.91 3gza h TYR 194 Ca -0.48 0.00 -0.36 0.00 3.14 0.00 0.00 58.73 61.03 3gza h TYR 194 Cb 1.17 0.00 -0.38 0.00 1.54 0.00 0.00 36.73 39.05 3gza h TYR 194 CO 0.60 0.30 -0.74 -1.50 -1.64 0.00 0.00 178.16 175.18 3gza s ILE 196 N -3.63 -0.09 -0.26 1.81 2.07 -0.19 -1.01 121.20 119.91 3gza s ILE 196 Ca 0.00 0.39 -0.02 0.00 -1.41 0.00 0.00 60.65 59.61 3gza s ILE 196 Cb 0.11 -0.15 0.02 0.00 0.13 0.00 0.00 42.46 42.57 3gza s ILE 196 CO 0.66 0.17 -0.04 0.86 -1.91 0.00 0.00 174.94 174.68 3gza s TRP 197 N 2.01 3.09 -0.16 3.50 -0.11 -0.21 -1.72 118.94 125.34 3gza s TRP 197 Ca 0.03 -1.49 -0.14 0.00 1.22 0.00 0.00 56.10 55.72 3gza s TRP 197 Cb -0.12 -2.09 -0.05 0.00 -1.50 0.00 0.00 33.47 29.72 3gza s TRP 197 CO -0.03 -0.71 0.30 -0.06 -4.62 0.00 0.00 176.95 171.82 3gza s PHE 198 N 1.34 3.46 -0.17 5.86 0.08 0.27 -0.32 117.98 128.50 3gza s PHE 198 Ca 0.00 0.60 -0.33 0.00 0.12 0.00 0.00 56.93 57.33 3gza s PHE 198 Cb -0.17 -2.35 -0.10 0.00 -0.57 0.00 0.00 43.02 39.84 3gza s PHE 198 CO -0.03 0.24 2.04 -0.40 -0.10 0.00 0.00 175.22 176.96 3gza n ASP 199 N 3.58 3.17 -0.84 1.36 5.75 -1.06 -0.97 116.55 127.54 3gza n ASP 199 Ca -0.12 0.66 -0.11 0.00 -0.01 0.00 0.00 54.79 55.21 3gza n ASP 199 Cb 0.52 -1.40 -0.05 0.00 -1.03 0.00 0.00 41.12 39.16 3gza n ASP 199 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gza n GLY 200 N 5.22 1.14 0.36 6.12 0.00 -1.26 -4.62 105.19 112.14 3gza n GLY 200 Ca 0.28 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.18 3gza n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gza n GLY 201 N -0.62 -2.57 1.82 -0.02 0.00 -0.14 -4.69 105.19 98.97 3gza n GLY 201 Ca -0.11 -1.37 0.01 0.00 0.00 0.00 0.00 46.02 44.55 3gza n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gza n ALA 202 N -2.63 4.04 -0.85 4.61 0.00 0.60 -4.94 120.51 121.34 3gza n ALA 202 Ca -0.02 -1.88 0.00 0.00 0.00 0.00 0.00 53.44 51.55 3gza n ALA 202 Cb 0.17 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3gza n ALA 202 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3gza n ASP 203 N 0.27 0.00 -4.12 0.00 2.03 -1.26 -4.04 116.55 109.43 3gza n ASP 203 Ca 0.30 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.28 3gza n ASP 203 Cb 1.19 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 41.43 3gza n ASP 203 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3gza s ASP 204 N -4.00 3.58 0.00 1.67 -1.08 -1.26 -1.68 116.67 113.90 3gza s ASP 204 Ca 0.00 -0.83 0.11 0.00 -0.52 0.00 0.00 52.55 51.31 3gza s ASP 204 Cb 0.00 -1.52 0.48 0.00 -1.46 0.00 0.00 42.92 40.42 3gza s ASP 204 CO 0.00 -0.06 1.36 -0.81 0.52 0.00 0.00 175.17 176.18 3gza n PRO 205 N 4.59 0.00 0.00 4.34 -0.04 -1.26 -1.09 135.00 141.54 3gza n PRO 205 Ca -0.19 0.31 0.14 0.00 -0.04 0.00 0.00 63.50 63.71 3gza n PRO 205 Cb 0.48 -1.50 0.51 0.00 -0.04 0.00 0.00 33.50 32.95 3gza n PRO 205 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3gza n ARG 206 N -1.50 1.15 0.00 0.54 1.74 -1.26 -4.75 116.66 112.58 3gza n ARG 206 Ca 0.03 -0.60 0.00 0.00 -0.77 0.00 0.00 57.85 56.50 3gza n ARG 206 Cb 0.13 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 3gza n ARG 206 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gza n ALA 207 N -0.40 0.00 0.60 7.54 0.00 -0.43 -5.02 120.51 122.80 3gza n ALA 207 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.72 3gza n ALA 207 Cb 0.32 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.04 3gza n ALA 207 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gza n ASP 208 N 0.00 0.75 -4.83 0.00 8.00 -1.20 -4.92 116.55 114.35 3gza n ASP 208 Ca 0.00 0.31 -0.33 0.00 0.71 0.00 0.00 54.79 55.48 3gza n ASP 208 Cb 0.00 -0.24 -0.06 0.00 -0.02 0.00 0.00 41.12 40.80 3gza n ASP 208 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3gza s GLY 209 N -3.62 2.30 0.48 0.44 0.00 -0.25 -4.91 107.32 101.76 3gza s GLY 209 Ca 0.08 0.27 -0.21 0.00 0.00 0.00 0.00 44.72 44.86 3gza s GLY 209 CO 0.67 0.54 1.09 2.56 0.00 0.00 0.00 173.10 177.95 3gza s PRO 210 N -3.33 3.76 -1.25 2.90 0.04 -1.26 -4.12 135.00 131.75 3gza s PRO 210 Ca 0.60 1.53 -0.14 0.00 0.04 0.00 0.00 61.00 63.03 3gza s PRO 210 Cb -0.09 -2.22 0.15 0.00 0.04 0.00 0.00 34.50 32.37 3gza s PRO 210 CO 0.18 -0.49 1.59 -3.47 0.04 0.00 0.00 177.00 174.85 3gza n ASP 211 N -0.77 5.11 0.02 6.66 2.03 -1.26 -4.56 116.55 123.78 3gza n ASP 211 Ca 0.09 -2.99 0.11 0.00 0.52 0.00 0.00 54.79 52.52 3gza n ASP 211 Cb 0.51 -1.58 -0.12 0.00 -0.72 0.00 0.00 41.12 39.20 3gza n ASP 211 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3gza n VAL 212 N 4.64 0.16 -0.22 5.18 0.24 -1.26 -4.41 118.33 122.66 3gza n VAL 212 Ca 0.40 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.34 62.12 3gza n VAL 212 Cb 0.42 -0.06 0.03 0.00 -1.47 0.00 0.00 33.84 32.76 3gza n VAL 212 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3gza h GLU 213 N 0.00 0.94 0.00 7.34 4.22 -2.00 -2.02 114.58 123.06 3gza h GLU 213 Ca 0.00 -0.19 -0.02 0.00 0.08 0.00 0.00 59.36 59.24 3gza h GLU 213 Cb 0.99 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 3gza h GLU 213 CO 0.00 0.81 -0.09 -1.35 -2.18 0.00 0.00 179.01 176.20 3gza h PRO 214 N 0.87 0.00 -0.04 0.92 0.11 -1.99 0.12 132.00 131.99 3gza h PRO 214 Ca 0.20 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 3gza h PRO 214 Cb 0.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 3gza h PRO 214 CO -0.01 0.09 -0.02 0.82 -0.21 0.00 0.00 178.00 178.67 3gza h ILE 215 N 0.00 1.34 -0.39 4.15 2.04 -1.61 -1.72 117.51 121.31 3gza h ILE 215 Ca -0.00 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 64.80 3gza h ILE 215 Cb 0.19 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 3gza h ILE 215 CO 0.01 0.28 0.17 0.58 0.00 0.00 0.00 178.15 179.20 3gza h VAL 216 N -0.32 1.18 -0.95 1.67 2.07 -1.06 -1.84 116.25 117.01 3gza h VAL 216 Ca 0.01 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.02 3gza h VAL 216 Cb 0.47 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 3gza h VAL 216 CO 0.01 0.20 0.62 0.78 0.02 0.00 0.00 177.57 179.20 3gza h ASN 217 N 0.49 1.04 -0.04 0.57 2.35 -0.98 0.50 115.58 119.52 3gza h ASN 217 Ca 0.13 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 3gza h ASN 217 Cb 0.15 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.28 3gza h ASN 217 CO -0.01 0.73 -0.09 0.50 -1.65 0.00 0.00 177.43 176.91 3gza h LYS 218 N 1.22 0.12 0.00 0.81 3.64 -0.99 -3.26 116.57 118.11 3gza h LYS 218 Ca 0.37 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3gza h LYS 218 Cb -0.04 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3gza h LYS 218 CO -0.10 0.68 -1.47 0.66 -2.27 0.00 0.00 179.45 176.95 3gza n TYR 219 N -4.69 0.16 -3.13 1.91 4.01 -0.72 -4.55 117.16 110.15 3gza n TYR 219 Ca -0.08 0.05 -0.18 0.00 -0.16 0.00 0.00 57.90 57.52 3gza n TYR 219 Cb 0.35 -0.43 -0.03 0.00 -0.31 0.00 0.00 39.34 38.92 3gza n TYR 219 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3gza n GLN 220 N -2.08 1.20 0.30 -0.72 1.13 0.18 -4.90 117.38 112.47 3gza n GLN 220 Ca -0.01 -3.51 0.16 0.00 -1.94 0.00 0.00 57.00 51.70 3gza n GLN 220 Cb 0.49 -1.74 0.93 0.00 0.11 0.00 0.00 30.24 30.03 3gza n GLN 220 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 3gza h PRO 221 N 3.00 0.00 -0.49 -1.09 0.13 -1.60 -1.83 132.00 130.12 3gza h PRO 221 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3gza h PRO 221 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 3gza h PRO 221 CO 0.53 0.03 0.00 0.09 -0.23 0.00 0.00 178.00 178.42 3gza n ASN 222 N -3.60 4.12 -4.76 1.44 3.02 -1.26 -4.97 115.26 109.26 3gza n ASN 222 Ca -0.03 -2.46 -0.38 0.00 -0.03 0.00 0.00 54.58 51.68 3gza n ASN 222 Cb 0.13 -0.49 -0.06 0.00 -0.61 0.00 0.00 39.78 38.75 3gza n ASN 222 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gza s LEU 224 N 0.05 4.38 -0.36 0.00 1.43 -0.18 -4.88 118.68 119.13 3gza s LEU 224 Ca 0.26 2.53 -0.15 0.00 -1.03 0.00 0.00 54.13 55.74 3gza s LEU 224 Cb -0.16 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 3gza s LEU 224 CO 0.12 -0.96 0.37 0.12 0.23 0.00 0.00 176.35 176.23 3gza s PHE 225 N 3.34 3.21 -0.32 0.29 5.36 -1.26 -1.02 117.98 127.58 3gza s PHE 225 Ca 0.78 -0.12 -0.01 0.00 -0.96 0.00 0.00 56.93 56.63 3gza s PHE 225 Cb -0.40 -2.69 0.11 0.00 -0.34 0.00 0.00 43.02 39.69 3gza s PHE 225 CO 0.35 -0.48 0.14 -0.47 -1.46 0.00 0.00 175.22 173.29 3gza s TYR 226 N 2.01 1.27 0.16 10.12 5.04 -0.70 -0.91 117.35 134.34 3gza s TYR 226 Ca 0.11 -1.58 -0.23 0.00 -2.44 0.00 0.00 57.07 52.92 3gza s TYR 226 Cb -0.17 -1.43 0.08 0.00 0.35 0.00 0.00 41.96 40.78 3gza s TYR 226 CO 0.12 -0.85 1.04 -3.38 -1.34 0.00 0.00 175.55 171.14 3gza s HIS 227 N 1.53 0.02 0.16 4.97 -3.43 -1.26 -0.56 115.29 116.71 3gza s HIS 227 Ca 0.11 -0.37 -0.04 0.00 -0.80 0.00 0.00 55.06 53.97 3gza s HIS 227 Cb -0.18 0.67 0.02 0.00 -1.43 0.00 0.00 32.58 31.65 3gza s HIS 227 CO -0.22 -0.84 0.28 0.27 -2.00 0.00 0.00 174.74 172.22 3gza n ASN 228 N -1.00 -0.79 0.27 7.38 6.94 -0.30 -0.29 115.26 127.47 3gza n ASN 228 Ca -0.04 -1.73 0.18 0.00 -0.02 0.00 0.00 54.58 52.97 3gza n ASN 228 Cb 0.60 1.37 0.83 0.00 -2.36 0.00 0.00 39.78 40.22 3gza n ASN 228 CO 0.00 0.00 0.00 0.16 -1.03 0.00 0.00 177.26 176.39 3gza h ILE 229 N 1.42 0.00 0.00 1.53 3.07 -1.66 -2.79 117.51 119.08 3gza h ILE 229 Ca -0.13 -0.26 -0.19 0.00 1.55 0.00 0.00 64.86 65.84 3gza h ILE 229 Cb 0.51 1.17 -0.03 0.00 -0.27 0.00 0.00 36.82 38.20 3gza h ILE 229 CO 0.17 0.00 -1.58 0.47 -1.05 0.00 0.00 178.15 176.15 3gza n ASP 230 N -2.89 0.70 -3.65 2.16 8.00 -1.26 -4.83 116.55 114.78 3gza n ASP 230 Ca -0.01 0.31 -0.12 0.00 0.71 0.00 0.00 54.79 55.69 3gza n ASP 230 Cb 0.19 0.37 -0.08 0.00 -0.02 0.00 0.00 41.12 41.58 3gza n ASP 230 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3gza s ARG 231 N -2.90 0.71 -0.05 -1.24 3.52 -1.05 -4.63 118.95 113.31 3gza s ARG 231 Ca -0.04 0.98 -0.01 0.00 -0.13 0.00 0.00 55.73 56.53 3gza s ARG 231 Cb 0.09 0.26 0.03 0.00 -1.56 0.00 0.00 34.95 33.77 3gza s ARG 231 CO 0.82 -0.11 0.01 0.00 -0.81 0.00 0.00 175.30 175.21 3gza s ALA 232 N 0.81 0.46 -0.78 6.12 0.00 -0.49 -1.15 121.76 126.73 3gza s ALA 232 Ca -0.04 0.05 0.26 0.00 0.00 0.00 0.00 51.96 52.23 3gza s ALA 232 Cb -0.05 -0.55 0.76 0.00 0.00 0.00 0.00 23.12 23.28 3gza s ALA 232 CO -0.06 -0.31 1.68 -0.25 0.00 0.00 0.00 175.76 176.82 3gza n ASP 233 N 4.77 0.62 -4.00 0.00 8.00 -0.08 -4.57 116.55 121.28 3gza n ASP 233 Ca -0.14 0.41 -0.09 0.00 0.71 0.00 0.00 54.79 55.67 3gza n ASP 233 Cb 0.50 -0.46 -0.06 0.00 -0.02 0.00 0.00 41.12 41.09 3gza n ASP 233 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3gza s PHE 234 N -3.09 0.42 0.10 1.24 -0.12 -1.26 -4.21 117.98 111.06 3gza s PHE 234 Ca 0.10 -0.77 0.08 0.00 -0.05 0.00 0.00 56.93 56.30 3gza s PHE 234 Cb 0.14 0.11 -0.03 0.00 -0.63 0.00 0.00 43.02 42.60 3gza s PHE 234 CO 0.62 -0.93 -0.20 -0.98 -0.05 0.00 0.00 175.22 173.67 3gza s ARG 235 N -4.02 1.10 0.15 1.99 1.70 0.62 -4.85 118.95 115.65 3gza s ARG 235 Ca 0.23 -1.15 -0.30 0.00 -0.47 0.00 0.00 55.73 54.04 3gza s ARG 235 Cb 0.00 -1.34 -0.07 0.00 -0.57 0.00 0.00 34.95 32.97 3gza s ARG 235 CO 0.08 0.31 1.19 -0.46 -1.08 0.00 0.00 175.30 175.34 3gza s TRP 236 N -1.18 3.44 -2.00 5.89 -0.00 -1.26 -4.38 118.94 119.45 3gza s TRP 236 Ca 0.06 1.40 0.14 0.00 -0.00 0.00 0.00 56.10 57.69 3gza s TRP 236 Cb -0.10 -3.42 0.83 0.00 -0.00 0.00 0.00 33.47 30.78 3gza s TRP 236 CO 0.04 -1.20 1.31 0.41 -0.00 0.00 0.00 176.95 177.51 3gza n GLY 237 N 2.47 -0.66 0.25 5.86 0.00 -1.26 -4.79 105.19 107.06 3gza n GLY 237 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3gza n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gza n GLY 238 N 0.27 0.46 3.38 -0.02 0.00 -1.26 -3.59 105.19 104.43 3gza n GLY 238 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 3gza n GLY 238 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gza s SER 239 N -2.78 -0.16 -0.58 1.61 1.04 -1.26 -5.02 113.70 106.56 3gza s SER 239 Ca 0.00 -0.50 0.01 0.00 0.48 0.00 0.00 55.95 55.94 3gza s SER 239 Cb 0.00 0.49 0.44 0.00 0.10 0.00 0.00 66.02 67.05 3gza s SER 239 CO 0.00 -0.91 1.79 -0.62 0.98 0.00 0.00 173.24 174.47 3gza n GLU 240 N -0.25 2.96 0.00 4.02 1.02 -1.26 -4.38 120.64 122.76 3gza n GLU 240 Ca -0.12 -3.58 0.12 0.00 -0.02 0.00 0.00 57.16 53.56 3gza n GLU 240 Cb 0.63 -2.28 0.21 0.00 -0.02 0.00 0.00 31.44 29.97 3gza n GLU 240 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3gza n THR 241 N -0.82 0.00 -1.13 2.62 -2.24 -1.17 -4.41 114.28 107.13 3gza n THR 241 Ca 0.57 -0.19 -0.04 0.00 -2.27 0.00 0.00 64.05 62.11 3gza n THR 241 Cb 0.71 0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 69.71 3gza n THR 241 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gza n GLY 242 N 1.37 0.73 3.20 3.38 0.00 -0.30 -4.89 105.19 108.68 3gza n GLY 242 Ca 0.11 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 3gza n GLY 242 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gza s THR 243 N -2.17 0.28 0.27 2.61 -4.23 -1.26 -4.31 115.64 106.83 3gza s THR 243 Ca 0.00 -1.95 0.05 0.00 -1.18 0.00 0.00 61.69 58.62 3gza s THR 243 Cb 0.00 -2.18 -0.06 0.00 1.34 0.00 0.00 72.50 71.60 3gza s THR 243 CO 0.00 -0.36 -0.03 0.68 -0.54 0.00 0.00 174.62 174.37 3gza s VAL 244 N -3.93 1.44 0.88 2.29 -7.23 -0.59 -4.75 120.40 108.50 3gza s VAL 244 Ca 0.27 -2.08 -0.12 0.00 -1.81 0.00 0.00 61.98 58.24 3gza s VAL 244 Cb 0.07 -2.46 0.16 0.00 0.56 0.00 0.00 36.38 34.71 3gza s VAL 244 CO 0.05 -0.27 1.22 -1.61 -0.31 0.00 0.00 175.10 174.17 3gza s GLU 245 N -3.78 1.13 -0.03 4.82 0.41 -1.18 -4.83 118.70 115.25 3gza s GLU 245 Ca 0.30 -0.46 0.02 0.00 -0.41 0.00 0.00 54.97 54.42 3gza s GLU 245 Cb 0.05 -1.98 0.00 0.00 -1.78 0.00 0.00 34.13 30.43 3gza s GLU 245 CO 0.11 -2.03 -0.09 -0.47 -0.49 0.00 0.00 175.26 172.29 3gza s TYR 246 N -3.66 0.96 0.80 1.61 5.04 -1.26 -3.99 117.35 116.85 3gza s TYR 246 Ca 0.70 -0.25 -0.11 0.00 -2.44 0.00 0.00 57.07 54.97 3gza s TYR 246 Cb -0.06 -0.69 0.08 0.00 0.35 0.00 0.00 41.96 41.64 3gza s TYR 246 CO 0.50 -0.11 1.11 -1.25 -1.34 0.00 0.00 175.55 174.46 3gza s PRO 247 N 0.26 1.97 -0.21 4.97 0.04 -1.26 -5.08 135.00 135.68 3gza s PRO 247 Ca -0.04 1.29 -0.03 0.00 0.04 0.00 0.00 61.00 62.26 3gza s PRO 247 Cb -0.09 -1.86 0.07 0.00 0.04 0.00 0.00 34.50 32.66 3gza s PRO 247 CO 0.01 -1.88 0.06 0.00 0.04 0.00 0.00 177.00 175.23 3gza s TRP 249 N 1.90 3.45 -0.51 0.00 0.52 -0.30 -4.77 118.94 119.24 3gza s TRP 249 Ca 0.02 0.18 0.24 0.00 0.02 0.00 0.00 56.10 56.56 3gza s TRP 249 Cb -0.17 -1.71 0.35 0.00 -1.15 0.00 0.00 33.47 30.79 3gza s TRP 249 CO -0.13 0.56 1.41 0.77 0.02 0.00 0.00 176.95 179.58 3gza h SER 250 N 2.87 0.00 -4.05 2.95 0.02 -1.88 -3.40 113.55 110.06 3gza h SER 250 Ca -0.46 -0.07 -0.49 0.00 -0.84 0.00 0.00 61.79 59.93 3gza h SER 250 Cb 1.17 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.73 3gza h SER 250 CO 0.72 0.04 0.30 0.42 -1.14 0.00 0.00 176.83 177.16 3gza s THR 251 N -3.21 4.67 -0.05 -2.27 -4.23 -1.26 -0.42 115.64 108.87 3gza s THR 251 Ca 0.06 0.90 -0.23 0.00 -1.18 0.00 0.00 61.69 61.23 3gza s THR 251 Cb 0.10 -3.77 0.05 0.00 1.34 0.00 0.00 72.50 70.22 3gza s THR 251 CO 0.70 -0.76 0.52 0.12 -0.54 0.00 0.00 174.62 174.66 3gza s PHE 252 N -2.69 -0.47 -0.09 3.99 5.36 0.75 -1.49 117.98 123.33 3gza s PHE 252 Ca 0.55 0.83 0.30 0.00 -0.96 0.00 0.00 56.93 57.65 3gza s PHE 252 Cb -0.10 0.27 1.15 0.00 -0.34 0.00 0.00 43.02 43.99 3gza s PHE 252 CO 0.38 -0.49 1.88 -1.00 -1.46 0.00 0.00 175.22 174.53 3gza h PRO 253 N 3.57 0.00 -4.99 10.12 0.13 -1.87 -1.87 132.00 137.09 3gza h PRO 253 Ca -0.28 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.53 3gza h PRO 253 Cb 1.16 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.12 3gza h PRO 253 CO 0.37 0.00 -0.73 0.14 -0.23 0.00 0.00 178.00 177.55 3gza s VAL 254 N -3.53 0.99 -1.31 1.56 -7.23 -1.26 -4.69 120.40 104.93 3gza s VAL 254 Ca 0.03 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 58.45 3gza s VAL 254 Cb 0.09 -1.49 0.00 0.00 0.56 0.00 0.00 36.38 35.53 3gza s VAL 254 CO 0.54 -0.61 0.59 -0.81 -0.31 0.00 0.00 175.10 174.49 3gza n PRO 255 N 0.36 0.90 -4.05 4.82 -0.04 -1.26 -4.76 135.00 130.96 3gza n PRO 255 Ca -0.15 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.19 3gza n PRO 255 Cb 0.58 -1.31 -0.05 0.00 -0.04 0.00 0.00 33.50 32.69 3gza n PRO 255 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gza n SER 257 N -0.98 3.63 -4.77 0.00 3.41 -1.26 -4.86 113.62 108.79 3gza n SER 257 Ca -0.00 -2.10 -0.39 0.00 -0.26 0.00 0.00 58.87 56.12 3gza n SER 257 Cb 0.62 -0.40 -0.06 0.00 -0.26 0.00 0.00 64.21 64.11 3gza n SER 257 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3gza s HIS 258 N -1.19 3.70 0.95 7.33 3.76 -1.26 -5.07 115.29 123.51 3gza s HIS 258 Ca 0.38 1.19 -0.13 0.00 -0.15 0.00 0.00 55.06 56.35 3gza s HIS 258 Cb 0.21 -2.57 0.16 0.00 1.11 0.00 0.00 32.58 31.49 3gza s HIS 258 CO 0.24 0.39 1.13 -1.01 -0.85 0.00 0.00 174.74 174.65 3gza s HIS 259 N -0.34 2.26 -0.25 1.40 0.09 -1.26 -5.08 115.29 112.10 3gza s HIS 259 Ca 0.30 0.84 -0.34 0.00 -0.00 0.00 0.00 55.06 55.86 3gza s HIS 259 Cb -0.18 -3.39 -0.11 0.00 -0.00 0.00 0.00 32.58 28.90 3gza s HIS 259 CO 0.17 -2.60 2.08 -3.47 -0.00 0.00 0.00 174.74 170.92 3gza n ASP 267 N -3.93 2.73 -0.10 1.40 2.03 -1.26 -5.21 116.55 112.21 3gza n ASP 267 Ca 0.07 0.57 -0.09 0.00 0.52 0.00 0.00 54.79 55.85 3gza n ASP 267 Cb 0.59 -1.34 -0.02 0.00 -0.72 0.00 0.00 41.12 39.63 3gza n ASP 267 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 3gza h GLN 268 N 11.71 0.47 -0.65 -0.67 3.07 -2.02 -0.89 115.11 126.12 3gza h GLN 268 Ca -0.37 -0.06 0.06 0.00 0.09 0.00 0.00 58.65 58.37 3gza h GLN 268 Cb 1.29 -0.09 -0.05 0.00 0.08 0.00 0.00 27.48 28.71 3gza h GLN 268 CO 0.98 0.41 0.36 1.37 0.09 0.00 0.00 178.83 182.04 3gza h LEU 269 N 0.41 0.53 0.34 0.06 -0.00 -1.98 0.47 115.31 115.13 3gza h LEU 269 Ca 0.12 0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 58.02 3gza h LEU 269 Cb 0.09 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 40.65 3gza h LEU 269 CO -0.02 0.34 -0.37 -0.08 -0.00 0.00 0.00 178.44 178.32 3gza h GLU 270 N 0.66 -0.71 -0.92 0.17 4.22 -1.90 0.23 114.58 116.34 3gza h GLU 270 Ca 0.29 0.05 0.08 0.00 0.08 0.00 0.00 59.36 59.86 3gza h GLU 270 Cb 0.18 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.53 3gza h GLU 270 CO -0.18 -0.47 0.60 1.25 -2.18 0.00 0.00 179.01 178.02 3gza h LEU 271 N -0.74 0.89 -0.63 1.64 5.85 -0.66 0.74 115.31 122.41 3gza h LEU 271 Ca -0.02 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 3gza h LEU 271 Cb 0.68 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3gza h LEU 271 CO -0.08 0.55 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.34 3gza h LEU 272 N 1.00 0.91 -0.78 2.25 3.38 -0.58 0.62 115.31 122.11 3gza h LEU 272 Ca 0.41 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3gza h LEU 272 Cb 0.27 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3gza h LEU 272 CO -0.17 1.06 -0.13 0.11 0.09 0.00 0.00 178.44 179.41 3gza h LYS 273 N 0.80 0.79 0.00 1.13 6.56 0.38 -3.38 116.57 122.85 3gza h LYS 273 Ca 0.12 -0.27 -0.02 0.00 -1.06 0.00 0.00 60.65 59.41 3gza h LYS 273 Cb 0.70 -0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 32.30 3gza h LYS 273 CO 0.05 0.88 -1.31 0.72 -2.06 0.00 0.00 179.45 177.73 3gza n HIS 274 N -4.15 0.00 -4.06 -1.35 8.25 0.28 -3.09 115.22 111.09 3gza n HIS 274 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 3gza n HIS 274 Cb 0.38 -0.17 -0.00 0.00 1.12 0.00 0.00 29.99 31.31 3gza n HIS 274 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gza n GLY 275 N 2.25 -1.87 2.76 -1.41 0.00 0.22 -1.15 105.19 105.99 3gza n GLY 275 Ca -0.03 -1.34 -0.28 0.00 0.00 0.00 0.00 46.02 44.37 3gza n GLY 275 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gza s ASP 276 N -3.97 3.13 0.61 1.61 2.15 -0.55 -4.85 116.67 114.80 3gza s ASP 276 Ca 0.00 -0.94 0.33 0.00 0.43 0.00 0.00 52.55 52.38 3gza s ASP 276 Cb 0.00 -0.69 1.96 0.00 -0.30 0.00 0.00 42.92 43.89 3gza s ASP 276 CO 0.00 -0.31 2.27 0.07 -0.17 0.00 0.00 175.17 177.04 3gza h LYS 277 N 8.20 0.00 -0.09 4.34 2.10 -1.88 -0.57 116.57 128.67 3gza h LYS 277 Ca -0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 3gza h LYS 277 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 3gza h LYS 277 CO 0.36 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.90 3gza n ASN 278 N -3.65 2.65 -4.75 7.07 3.02 -1.26 -4.94 115.26 113.40 3gza n ASN 278 Ca -0.03 -1.87 -0.38 0.00 -0.03 0.00 0.00 54.58 52.27 3gza n ASN 278 Cb 0.10 -0.04 0.03 0.00 -0.61 0.00 0.00 39.78 39.26 3gza n ASN 278 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3gza s GLY 279 N -1.90 2.86 0.17 7.41 0.00 -0.22 -4.94 107.32 110.69 3gza s GLY 279 Ca 0.32 1.24 0.24 0.00 0.00 0.00 0.00 44.72 46.53 3gza s GLY 279 CO 0.31 1.75 1.40 3.21 0.00 0.00 0.00 173.10 179.77 3gza h ARG 280 N 1.60 0.00 -6.10 2.90 2.47 -1.79 -3.38 114.38 110.07 3gza h ARG 280 Ca -0.51 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 57.56 3gza h ARG 280 Cb 1.29 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 29.50 3gza h ARG 280 CO 0.58 0.00 -0.60 0.71 0.56 0.00 0.00 179.97 181.22 3gza s TYR 281 N -3.18 3.19 -0.53 3.04 2.02 -0.72 -4.76 117.35 116.41 3gza s TYR 281 Ca 0.06 0.13 -0.17 0.00 -0.37 0.00 0.00 57.07 56.73 3gza s TYR 281 Cb 0.12 -1.68 0.11 0.00 -0.40 0.00 0.00 41.96 40.11 3gza s TYR 281 CO 0.70 0.52 0.52 -0.46 -1.57 0.00 0.00 175.55 175.26 3gza s TRP 282 N -1.22 3.19 -0.49 2.71 -0.11 -1.26 -0.18 118.94 121.58 3gza s TRP 282 Ca 0.24 -1.11 0.06 0.00 1.22 0.00 0.00 56.10 56.51 3gza s TRP 282 Cb -0.12 -3.69 0.22 0.00 -1.50 0.00 0.00 33.47 28.38 3gza s TRP 282 CO 0.15 -1.02 0.52 0.28 -4.62 0.00 0.00 176.95 172.26 3gza n VAL 283 N 5.31 0.15 -1.25 5.86 0.31 0.44 -4.83 118.33 124.32 3gza n VAL 283 Ca -0.12 -4.24 -0.32 0.00 -0.01 0.00 0.00 64.34 59.64 3gza n VAL 283 Cb 0.41 -1.94 0.10 0.00 -0.91 0.00 0.00 33.84 31.51 3gza n VAL 283 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3gza s PRO 284 N -1.19 1.98 0.00 5.55 0.04 -1.15 -4.04 135.00 136.18 3gza s PRO 284 Ca 0.34 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.87 3gza s PRO 284 Cb 0.10 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.80 3gza s PRO 284 CO -0.12 -1.90 0.00 0.00 0.04 0.00 0.00 177.00 175.02 3gza n ALA 285 N -3.28 0.00 -3.59 8.56 0.00 -1.26 -0.27 120.51 120.67 3gza n ALA 285 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.43 3gza n ALA 285 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 3gza n ALA 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gza s ALA 287 N -3.58 -1.88 0.02 0.00 0.00 -0.29 -2.76 121.76 113.28 3gza s ALA 287 Ca 0.00 1.69 -0.09 0.00 0.00 0.00 0.00 51.96 53.56 3gza s ALA 287 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.28 3gza s ALA 287 CO 0.00 -0.31 0.18 0.16 0.00 0.00 0.00 175.76 175.79 3gza s ASP 288 N -0.48 0.03 -0.16 0.00 -4.77 -1.26 -0.71 116.67 109.32 3gza s ASP 288 Ca -0.02 -0.30 -0.28 0.00 -3.30 0.00 0.00 52.55 48.64 3gza s ASP 288 Cb -0.02 0.26 0.08 0.00 -1.09 0.00 0.00 42.92 42.14 3gza s ASP 288 CO 0.01 -0.49 0.73 0.28 0.70 0.00 0.00 175.17 176.41 3gza s THR 289 N -2.13 0.00 0.52 2.11 -1.32 -0.76 -1.15 115.64 112.92 3gza s THR 289 Ca -0.09 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.18 3gza s THR 289 Cb -0.03 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.90 3gza s THR 289 CO -0.02 0.00 1.28 -2.84 -2.21 0.00 0.00 174.62 170.83 3gza s PRO 290 N -0.43 3.33 0.23 7.08 0.02 -1.26 -0.36 135.00 143.60 3gza s PRO 290 Ca -0.05 2.03 -0.05 0.00 0.02 0.00 0.00 61.00 62.95 3gza s PRO 290 Cb -0.02 -2.27 0.22 0.00 0.02 0.00 0.00 34.50 32.44 3gza s PRO 290 CO 0.05 -0.98 1.72 1.25 -0.33 0.00 0.00 177.00 178.71 3gza h LEU 291 N 1.59 0.91 -5.95 -5.54 5.85 -1.48 -3.29 115.31 107.40 3gza h LEU 291 Ca -0.50 -0.22 -0.73 0.00 0.84 0.00 0.00 57.88 57.26 3gza h LEU 291 Cb 1.28 -0.24 -0.10 0.00 0.37 0.00 0.00 40.66 41.97 3gza h LEU 291 CO 0.58 0.95 2.57 0.54 -0.34 0.00 0.00 178.44 182.74 3gza n ARG 292 N -4.21 3.77 -0.06 1.25 1.74 -1.26 -1.38 116.66 116.52 3gza n ARG 292 Ca 0.03 -3.18 0.03 0.00 -0.77 0.00 0.00 57.85 53.96 3gza n ARG 292 Cb 0.30 -2.89 0.06 0.00 -1.02 0.00 0.00 32.46 28.91 3gza n ARG 292 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gza n GLY 293 N 2.82 3.23 3.93 -0.13 0.00 -1.08 -1.05 105.19 112.91 3gza n GLY 293 Ca 0.53 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 46.06 3gza n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gza s ALA 294 N -1.30 3.62 -1.71 4.61 0.00 -0.63 -4.50 121.76 121.84 3gza s ALA 294 Ca 0.10 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.24 3gza s ALA 294 Cb 0.07 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.93 3gza s ALA 294 CO 0.04 -0.20 0.00 0.09 0.00 0.00 0.00 175.76 175.68 3gza n ASN 295 N -1.99 -5.00 0.00 0.00 3.02 -1.26 -1.57 115.26 108.45 3gza n ASN 295 Ca -0.02 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 3gza n ASN 295 Cb 0.56 -3.99 0.00 0.00 -0.61 0.00 0.00 39.78 35.74 3gza n ASN 295 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gza n GLY 296 N -0.94 0.25 3.96 7.41 0.00 -1.26 -5.09 105.19 109.52 3gza n GLY 296 Ca -0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 3gza n GLY 296 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gza s ARG 297 N -0.94 3.08 -0.47 1.61 1.81 -0.61 -5.07 118.95 118.36 3gza s ARG 297 Ca 0.00 -0.57 0.04 0.00 -1.72 0.00 0.00 55.73 53.48 3gza s ARG 297 Cb 0.00 -2.60 0.21 0.00 -0.45 0.00 0.00 34.95 32.11 3gza s ARG 297 CO 0.00 -0.21 0.85 1.58 -0.68 0.00 0.00 175.30 176.84 3gza n HIS 298 N -2.01 -3.05 -3.92 -0.53 -0.00 -1.22 -3.70 115.22 100.79 3gza n HIS 298 Ca 0.01 -1.29 -0.35 0.00 -0.00 0.00 0.00 57.72 56.10 3gza n HIS 298 Cb 0.58 1.42 -0.14 0.00 -0.00 0.00 0.00 29.99 31.85 3gza n HIS 298 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3gza s GLU 299 N 0.81 2.77 0.23 1.57 0.41 -0.22 -4.95 118.70 119.33 3gza s GLU 299 Ca 0.29 -1.03 0.25 0.00 -0.41 0.00 0.00 54.97 54.07 3gza s GLU 299 Cb 0.08 -3.08 0.63 0.00 -1.78 0.00 0.00 34.13 29.98 3gza s GLU 299 CO -0.10 -0.46 1.65 -1.49 -0.49 0.00 0.00 175.26 174.37 3gza h TRP 300 N 8.04 0.00 -3.12 1.61 4.06 -1.92 -3.40 115.95 121.21 3gza h TRP 300 Ca -0.30 0.00 -0.65 0.00 2.06 0.00 0.00 58.89 60.00 3gza h TRP 300 Cb 1.10 0.00 -0.17 0.00 -1.00 0.00 0.00 29.16 29.08 3gza h TRP 300 CO 0.59 0.00 -0.80 -0.06 -3.56 0.00 0.00 178.44 174.61 3gza s PHE 301 N -3.14 2.38 0.12 0.49 0.08 -1.26 -4.29 117.98 112.36 3gza s PHE 301 Ca 0.09 -0.33 -0.31 0.00 0.12 0.00 0.00 56.93 56.50 3gza s PHE 301 Cb 0.11 -1.17 -0.08 0.00 -0.57 0.00 0.00 43.02 41.31 3gza s PHE 301 CO 0.64 0.51 1.38 -0.46 -0.10 0.00 0.00 175.22 177.18 3gza s TRP 302 N -1.70 3.25 0.08 0.36 -0.00 -1.26 -4.98 118.94 114.68 3gza s TRP 302 Ca 0.22 0.99 0.01 0.00 -0.00 0.00 0.00 56.10 57.31 3gza s TRP 302 Cb -0.08 -3.67 -0.04 0.00 -0.00 0.00 0.00 33.47 29.68 3gza s TRP 302 CO 0.11 -2.31 -0.05 -1.21 -0.00 0.00 0.00 176.95 173.49 3gza s GLU 303 N 0.98 0.73 0.57 5.86 2.02 -1.26 -4.68 118.70 122.91 3gza s GLU 303 Ca 0.64 -1.24 -0.20 0.00 0.02 0.00 0.00 54.97 54.19 3gza s GLU 303 Cb -0.37 -0.06 -0.04 0.00 0.10 0.00 0.00 34.13 33.76 3gza s GLU 303 CO 0.31 -0.05 1.25 -2.14 0.02 0.00 0.00 175.26 174.66 3gza s PRO 304 N -3.66 3.06 -1.04 0.39 0.02 -1.26 -3.83 135.00 128.68 3gza s PRO 304 Ca 0.08 1.96 -0.02 0.00 0.02 0.00 0.00 61.00 63.04 3gza s PRO 304 Cb 0.05 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.50 3gza s PRO 304 CO -0.06 -1.17 0.21 -0.25 -0.33 0.00 0.00 177.00 175.40 3gza n ASP 305 N -1.34 -4.27 -0.61 2.53 8.00 -1.26 -4.91 116.55 114.69 3gza n ASP 305 Ca 0.12 -0.11 0.06 0.00 0.71 0.00 0.00 54.79 55.57 3gza n ASP 305 Cb 0.48 -3.28 0.13 0.00 -0.02 0.00 0.00 41.12 38.43 3gza n ASP 305 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3gza n ASP 306 N -0.73 2.73 0.24 -2.24 8.00 -1.25 -4.66 116.55 118.64 3gza n ASP 306 Ca -0.11 -1.89 0.10 0.00 0.71 0.00 0.00 54.79 53.61 3gza n ASP 306 Cb 0.59 -0.18 0.68 0.00 -0.02 0.00 0.00 41.12 42.19 3gza n ASP 306 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3gza h GLU 307 N 2.10 0.00 -0.61 -1.24 3.07 -1.91 -0.82 114.58 115.18 3gza h GLU 307 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3gza h GLU 307 Cb 0.68 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.59 3gza h GLU 307 CO 0.00 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.70 3gza n ASN 308 N -4.44 5.06 -1.02 1.42 3.02 -1.26 -4.07 115.26 113.97 3gza n ASN 308 Ca -0.02 -2.63 0.08 0.00 -0.03 0.00 0.00 54.58 51.98 3gza n ASN 308 Cb 0.14 -0.61 0.25 0.00 -0.61 0.00 0.00 39.78 38.95 3gza n ASN 308 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3gza n ASN 309 N 0.89 3.66 -4.77 6.41 3.02 -0.31 -4.93 115.26 119.23 3gza n ASN 309 Ca 0.26 -2.23 -0.38 0.00 -0.03 0.00 0.00 54.58 52.21 3gza n ASN 309 Cb 0.99 -0.40 -0.02 0.00 -0.61 0.00 0.00 39.78 39.74 3gza n ASN 309 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3gza s ILE 310 N -1.41 3.30 0.34 2.41 -4.36 -1.25 -1.60 121.20 118.63 3gza s ILE 310 Ca 0.37 1.04 -0.28 0.00 -0.26 0.00 0.00 60.65 61.52 3gza s ILE 310 Cb 0.22 -3.56 -0.10 0.00 1.25 0.00 0.00 42.46 40.27 3gza s ILE 310 CO 0.20 0.05 1.27 -0.31 0.24 0.00 0.00 174.94 176.40 3gza s TYR 311 N -1.50 3.07 0.68 1.37 2.02 -0.48 -4.69 117.35 117.82 3gza s TYR 311 Ca 0.58 1.46 -0.17 0.00 -0.37 0.00 0.00 57.07 58.57 3gza s TYR 311 Cb -0.28 -3.60 0.00 0.00 -0.40 0.00 0.00 41.96 37.68 3gza s TYR 311 CO 0.35 -1.69 1.25 -2.30 -1.57 0.00 0.00 175.55 171.59 3gza n PRO 312 N 0.66 0.93 -0.21 -1.71 -0.02 -1.26 -4.80 135.00 128.59 3gza n PRO 312 Ca 0.01 0.38 0.02 0.00 -2.02 0.00 0.00 63.50 61.88 3gza n PRO 312 Cb 0.43 -2.49 0.13 0.00 -0.02 0.00 0.00 33.50 31.55 3gza n PRO 312 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3gza h LEU 313 N 0.26 0.05 -1.19 2.45 5.85 -1.93 -1.37 115.31 119.43 3gza h LEU 313 Ca -0.50 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.30 3gza h LEU 313 Cb 1.33 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.49 3gza h LEU 313 CO 0.51 0.02 0.13 0.78 -0.34 0.00 0.00 178.44 179.54 3gza h ASN 314 N 0.29 0.64 -0.31 1.25 2.35 -2.01 -2.16 115.58 115.62 3gza h ASN 314 Ca 0.34 -0.10 -0.08 0.00 -0.55 0.00 0.00 56.30 55.91 3gza h ASN 314 Cb 0.51 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3gza h ASN 314 CO -0.41 0.62 -0.13 0.74 -1.65 0.00 0.00 177.43 176.60 3gza h THR 315 N 0.68 1.29 0.00 2.81 2.02 -1.77 -1.81 112.91 116.12 3gza h THR 315 Ca 0.16 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 66.12 3gza h THR 315 Cb 0.23 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 3gza h THR 315 CO -0.01 0.39 0.00 0.18 0.37 0.00 0.00 175.52 176.46 3gza n LEU 316 N -4.40 0.00 0.00 2.58 4.77 -0.57 -1.59 117.00 117.79 3gza n LEU 316 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3gza n LEU 316 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3gza n LEU 316 CO 0.42 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.95 3gza n ASP 318 N 0.86 0.00 -0.09 -1.43 8.00 -0.68 -1.10 116.55 122.11 3gza n ASP 318 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 3gza n ASP 318 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 3gza n ASP 318 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3gza h LYS 319 N 0.00 0.45 -0.41 -1.24 1.57 -1.58 -2.39 116.57 112.97 3gza h LYS 319 Ca 0.00 -0.14 0.08 0.00 -1.87 0.00 0.00 60.65 58.72 3gza h LYS 319 Cb 0.00 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.20 3gza h LYS 319 CO 0.00 0.61 -0.01 -0.92 -0.57 0.00 0.00 179.45 178.56 3gza h TYR 320 N 0.24 -0.04 0.00 -1.35 3.20 -1.35 -0.71 116.97 116.95 3gza h TYR 320 Ca 0.07 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 3gza h TYR 320 Cb 0.40 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 3gza h TYR 320 CO 0.03 -0.09 -0.08 0.93 -1.64 0.00 0.00 178.16 177.31 3gza h GLU 321 N 0.10 0.00 -0.66 1.82 5.08 -1.81 -0.97 114.58 118.13 3gza h GLU 321 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3gza h GLU 321 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3gza h GLU 321 CO -0.35 0.08 0.00 1.63 -1.00 0.00 0.00 179.01 179.37 3gza n LYS 322 N -4.30 3.59 0.00 2.33 5.02 -0.60 -3.07 118.16 121.12 3gza n LYS 322 Ca -0.03 -2.86 0.00 0.00 -2.02 0.00 0.00 58.31 53.40 3gza n LYS 322 Cb 0.16 -1.84 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 3gza n LYS 322 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3gza n SER 323 N 1.21 0.00 -0.33 4.39 3.41 -0.37 -1.55 113.62 120.38 3gza n SER 323 Ca 0.26 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.94 3gza n SER 323 Cb 0.85 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 65.03 3gza n SER 323 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3gza h VAL 324 N 0.00 0.84 0.00 -3.33 2.07 -0.71 0.79 116.25 115.91 3gza h VAL 324 Ca 0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3gza h VAL 324 Cb 0.00 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.71 3gza h VAL 324 CO 0.00 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.35 3gza n GLY 325 N -1.33 -0.95 1.33 2.17 0.00 -0.97 -3.06 105.19 102.37 3gza n GLY 325 Ca 0.18 -0.13 0.01 0.00 0.00 0.00 0.00 46.02 46.08 3gza n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gza n ARG 326 N -0.83 1.29 -3.11 1.61 1.74 0.12 -1.10 116.66 116.38 3gza n ARG 326 Ca 0.15 -2.97 -0.20 0.00 -0.77 0.00 0.00 57.85 54.06 3gza n ARG 326 Cb 0.07 -1.13 0.05 0.00 -1.02 0.00 0.00 32.46 30.43 3gza n ARG 326 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3gza n ASN 327 N -0.44 -5.62 -3.84 0.55 5.15 -0.85 -4.57 115.26 105.64 3gza n ASN 327 Ca 0.16 -0.33 -0.22 0.00 -0.60 0.00 0.00 54.58 53.60 3gza n ASN 327 Cb 0.90 -4.37 -0.17 0.00 -0.53 0.00 0.00 39.78 35.61 3gza n ASN 327 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gza s ALA 328 N -3.16 0.75 0.21 5.20 0.00 -0.31 -4.45 121.76 119.99 3gza s ALA 328 Ca 0.35 -0.14 -0.30 0.00 0.00 0.00 0.00 51.96 51.88 3gza s ALA 328 Cb -0.16 -0.62 -0.09 0.00 0.00 0.00 0.00 23.12 22.26 3gza s ALA 328 CO 0.44 -0.25 1.22 0.99 0.00 0.00 0.00 175.76 178.15 3gza s THR 329 N 1.47 3.41 -0.19 0.00 2.01 -1.11 -2.21 115.64 119.02 3gza s THR 329 Ca -0.02 1.22 -0.07 0.00 0.31 0.00 0.00 61.69 63.13 3gza s THR 329 Cb -0.13 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 3gza s THR 329 CO -0.03 0.21 0.06 -0.22 -0.69 0.00 0.00 174.62 173.95 3gza s LEU 330 N -0.47 3.78 -0.22 4.42 2.96 -0.28 -1.14 118.68 127.73 3gza s LEU 330 Ca 0.52 0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 54.44 3gza s LEU 330 Cb -0.34 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.37 3gza s LEU 330 CO 0.39 0.16 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.92 3gza s ILE 331 N 0.48 3.60 -0.11 6.68 1.01 0.11 -0.64 121.20 132.33 3gza s ILE 331 Ca 0.03 -0.42 -0.17 0.00 0.00 0.00 0.00 60.65 60.09 3gza s ILE 331 Cb -0.13 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 3gza s ILE 331 CO 0.01 0.41 0.45 -0.76 0.00 0.00 0.00 174.94 175.05 3gza s LEU 332 N 1.41 4.29 -0.37 2.97 1.43 -0.29 -1.82 118.68 126.29 3gza s LEU 332 Ca 0.05 0.79 -0.24 0.00 -1.03 0.00 0.00 54.13 53.70 3gza s LEU 332 Cb -0.14 -2.65 0.01 0.00 0.03 0.00 0.00 46.19 43.44 3gza s LEU 332 CO -0.01 0.04 0.82 -0.83 0.23 0.00 0.00 176.35 176.60 3gza s GLY 333 N 0.46 1.63 0.13 -3.19 0.00 0.51 -0.99 107.32 105.88 3gza s GLY 333 Ca 0.25 -0.63 0.05 0.00 0.00 0.00 0.00 44.72 44.39 3gza s GLY 333 CO 0.10 1.82 0.04 1.08 0.00 0.00 0.00 173.10 176.14 3gza s LEU 334 N 3.20 3.53 -0.44 0.66 1.43 0.40 -1.33 118.68 126.13 3gza s LEU 334 Ca 0.33 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 3gza s LEU 334 Cb -0.13 -2.21 0.13 0.00 0.03 0.00 0.00 46.19 44.01 3gza s LEU 334 CO 0.18 0.13 0.21 0.42 0.23 0.00 0.00 176.35 177.52 3gza s THR 335 N -1.54 1.67 0.45 5.49 -4.23 -1.26 -3.07 115.64 113.15 3gza s THR 335 Ca 0.28 -2.58 -0.25 0.00 -1.18 0.00 0.00 61.69 57.95 3gza s THR 335 Cb -0.11 -2.18 -0.08 0.00 1.34 0.00 0.00 72.50 71.47 3gza s THR 335 CO 0.20 -0.83 1.43 -2.84 -0.54 0.00 0.00 174.62 172.04 3gza s PRO 336 N 0.39 3.68 0.67 3.99 0.02 -1.26 -4.46 135.00 138.03 3gza s PRO 336 Ca 0.16 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.61 3gza s PRO 336 Cb -0.24 -2.66 0.10 0.00 0.02 0.00 0.00 34.50 31.73 3gza s PRO 336 CO -0.03 -0.82 0.93 0.16 -0.33 0.00 0.00 177.00 176.91 3gza s ASP 337 N -0.50 4.62 0.13 2.53 1.47 0.35 -4.43 116.67 120.85 3gza s ASP 337 Ca 0.61 -0.31 0.15 0.00 1.18 0.00 0.00 52.55 54.18 3gza s ASP 337 Cb -0.44 -0.20 0.67 0.00 -0.34 0.00 0.00 42.92 42.61 3gza s ASP 337 CO 0.56 -1.66 1.45 -2.65 0.68 0.00 0.00 175.17 173.56 3gza n PRO 338 N -2.68 0.08 0.07 2.11 -0.02 -1.26 -1.25 135.00 132.05 3gza n PRO 338 Ca 0.13 0.43 0.12 0.00 -2.02 0.00 0.00 63.50 62.17 3gza n PRO 338 Cb 0.60 -1.69 0.25 0.00 -0.02 0.00 0.00 33.50 32.65 3gza n PRO 338 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3gza n THR 339 N -1.84 0.42 -0.16 3.45 -2.24 -1.26 -3.88 114.28 108.76 3gza n THR 339 Ca 0.01 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3gza n THR 339 Cb 0.12 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 3gza n THR 339 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gza n GLY 340 N 1.33 1.11 3.23 3.38 0.00 -0.38 -0.47 105.19 113.40 3gza n GLY 340 Ca 0.04 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 3gza n GLY 340 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gza s LEU 341 N 0.00 2.46 -0.01 0.99 1.43 -1.26 -2.59 118.68 119.69 3gza s LEU 341 Ca 0.00 -0.89 -0.30 0.00 -1.03 0.00 0.00 54.13 51.90 3gza s LEU 341 Cb 0.00 -0.43 -0.05 0.00 0.03 0.00 0.00 46.19 45.75 3gza s LEU 341 CO 0.00 -0.24 1.32 -0.63 0.23 0.00 0.00 176.35 177.03 3gza s ILE 342 N -2.68 3.92 0.60 -0.59 -1.09 -1.26 -0.50 121.20 119.60 3gza s ILE 342 Ca 0.12 1.29 -0.18 0.00 -2.23 0.00 0.00 60.65 59.64 3gza s ILE 342 Cb -0.02 -3.83 -0.05 0.00 -1.58 0.00 0.00 42.46 36.98 3gza s ILE 342 CO 0.02 0.01 0.88 -2.65 -1.23 0.00 0.00 174.94 171.96 3gza n PRO 343 N 5.20 0.79 -0.20 2.79 -0.02 -1.26 -4.72 135.00 137.58 3gza n PRO 343 Ca 0.12 0.31 -0.02 0.00 -2.02 0.00 0.00 63.50 61.89 3gza n PRO 343 Cb 0.45 -2.08 0.09 0.00 -0.02 0.00 0.00 33.50 31.94 3gza n PRO 343 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gza h ALA 344 N 0.39 0.76 -0.62 3.55 0.00 -1.99 -0.63 119.26 120.73 3gza h ALA 344 Ca -0.48 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 3gza h ALA 344 Cb 1.37 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3gza h ALA 344 CO 0.50 -0.10 0.01 0.78 0.00 0.00 0.00 179.25 180.43 3gza h GLY 345 N 0.50 1.17 0.93 0.00 0.00 -1.94 -1.47 103.07 102.27 3gza h GLY 345 Ca 0.28 -0.85 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 3gza h GLY 345 CO -0.22 0.78 0.12 -0.55 0.00 0.00 0.00 176.54 176.68 3gza h ASP 346 N 0.99 0.33 -0.74 0.19 5.19 -1.79 -1.39 116.42 119.20 3gza h ASP 346 Ca 0.18 -0.12 -0.00 0.00 -0.62 0.00 0.00 57.03 56.46 3gza h ASP 346 Cb 0.56 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 39.94 3gza h ASP 346 CO 0.03 0.36 0.45 0.00 -3.12 0.00 0.00 179.24 176.96 3gza h ALA 347 N 0.99 0.95 -0.62 3.45 0.00 -0.93 -0.89 119.26 122.20 3gza h ALA 347 Ca 0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3gza h ALA 347 Cb 0.12 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3gza h ALA 347 CO -0.01 0.42 0.28 0.37 0.00 0.00 0.00 179.25 180.30 3gza h GLN 348 N 1.02 0.91 -0.70 0.00 5.75 -1.03 -1.82 115.11 119.24 3gza h GLN 348 Ca 0.27 -0.15 -0.06 0.00 -0.15 0.00 0.00 58.65 58.56 3gza h GLN 348 Cb -0.04 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.33 3gza h GLN 348 CO -0.05 0.75 0.22 -0.09 -2.65 0.00 0.00 178.83 177.01 3gza h ARG 349 N 0.86 1.09 -0.58 1.69 9.65 -0.82 -0.86 114.38 125.41 3gza h ARG 349 Ca 0.21 -0.23 -0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3gza h ARG 349 Cb 0.16 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.55 3gza h ARG 349 CO -0.02 0.94 0.35 -0.07 2.80 0.00 0.00 179.97 183.97 3gza h LEU 350 N 1.03 0.69 -0.54 3.80 3.38 -0.96 -2.59 115.31 120.12 3gza h LEU 350 Ca 0.23 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.16 3gza h LEU 350 Cb 0.30 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3gza h LEU 350 CO -0.01 0.54 0.34 0.50 0.09 0.00 0.00 178.44 179.90 3gza h LYS 351 N 0.78 0.67 -1.11 1.13 3.64 -0.93 -2.22 116.57 118.53 3gza h LYS 351 Ca 0.21 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3gza h LYS 351 Cb -0.03 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 3gza h LYS 351 CO -0.04 0.45 0.00 0.39 -2.27 0.00 0.00 179.45 177.98 3gza n GLU 352 N -4.74 0.00 0.00 1.90 1.02 -0.36 -0.78 120.64 117.67 3gza n GLU 352 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3gza n GLU 352 Cb 0.04 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 3gza n GLU 352 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gza n GLY 354 N 0.73 0.00 0.35 0.62 0.00 -0.84 -1.17 105.19 104.89 3gza n GLY 354 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3gza n GLY 354 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gza h ASP 355 N 0.00 0.90 0.48 1.61 3.32 -1.14 -1.76 116.42 119.84 3gza h ASP 355 Ca 0.00 -0.02 -0.22 0.00 0.02 0.00 0.00 57.03 56.80 3gza h ASP 355 Cb 0.00 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 3gza h ASP 355 CO 0.00 0.65 -0.96 -0.08 -1.72 0.00 0.00 179.24 177.13 3gza h GLU 356 N 1.07 0.31 -0.58 3.56 4.57 -1.39 0.10 114.58 122.22 3gza h GLU 356 Ca 0.29 -0.36 -0.03 0.00 -1.18 0.00 0.00 59.36 58.09 3gza h GLU 356 Cb -0.12 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 3gza h GLU 356 CO -0.06 1.07 0.26 0.82 -1.18 0.00 0.00 179.01 179.91 3gza h ILE 357 N 0.16 1.22 -0.48 2.32 2.04 -1.75 -1.16 117.51 119.85 3gza h ILE 357 Ca -0.07 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 3gza h ILE 357 Cb 1.61 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 3gza h ILE 357 CO 0.16 0.25 0.18 0.78 0.00 0.00 0.00 178.15 179.51 3gza h ASN 358 N 0.79 0.68 -0.58 1.72 2.35 -1.16 -0.07 115.58 119.32 3gza h ASN 358 Ca 0.20 -0.18 0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3gza h ASN 358 Cb 0.15 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 3gza h ASN 358 CO -0.02 0.68 0.37 -0.09 -1.65 0.00 0.00 177.43 176.72 3gza h ARG 359 N 0.64 0.73 -0.09 0.81 2.43 -0.46 -1.32 114.38 117.11 3gza h ARG 359 Ca 0.16 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 59.10 3gza h ARG 359 Cb 0.23 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3gza h ARG 359 CO -0.01 0.48 -0.66 0.00 -1.51 0.00 0.00 179.97 178.27 3gza h ARG 360 N 0.75 0.61 0.00 0.20 3.08 -1.11 -3.41 114.38 114.49 3gza h ARG 360 Ca 0.22 -0.53 0.00 0.00 0.07 0.00 0.00 59.98 59.74 3gza h ARG 360 Cb -0.04 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3gza h ARG 360 CO -0.07 1.15 0.00 1.19 -1.07 0.00 0.00 179.97 181.18 3gza n PHE 361 N -4.10 0.00 0.09 3.04 3.72 -0.05 -4.74 117.46 115.42 3gza n PHE 361 Ca -0.09 -0.10 -0.07 0.00 -0.05 0.00 0.00 57.45 57.14 3gza n PHE 361 Cb 0.69 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 39.18 3gza n PHE 361 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3gza h SER 362 N 0.00 0.12 -3.77 4.37 4.64 -1.36 -3.41 113.55 114.14 3gza h SER 362 Ca 0.00 -0.10 -0.63 0.00 -0.47 0.00 0.00 61.79 60.59 3gza h SER 362 Cb 0.19 -0.04 -0.40 0.00 -0.31 0.00 0.00 62.40 61.84 3gza h SER 362 CO 0.00 0.97 -0.70 -0.44 -0.87 0.00 0.00 176.83 175.78 3gza s SER 363 N -6.84 4.19 0.71 4.97 0.01 -1.26 -5.11 113.70 110.36 3gza s SER 363 Ca -0.01 -2.48 -0.11 0.00 1.31 0.00 0.00 55.95 54.66 3gza s SER 363 Cb 0.10 -1.34 0.02 0.00 0.21 0.00 0.00 66.02 65.01 3gza s SER 363 CO 0.82 -0.31 1.07 -2.16 0.41 0.00 0.00 173.24 173.07 3gza s PRO 364 N 0.49 2.78 0.15 12.44 0.04 -1.26 -4.93 135.00 144.70 3gza s PRO 364 Ca 0.15 1.04 -0.14 0.00 0.04 0.00 0.00 61.00 62.08 3gza s PRO 364 Cb -0.22 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.38 3gza s PRO 364 CO -0.06 -1.23 1.70 0.82 0.04 0.00 0.00 177.00 178.27 3gza h ILE 365 N -0.74 1.21 -2.32 0.56 2.04 -0.84 -3.46 117.51 113.96 3gza h ILE 365 Ca -0.44 -0.67 -0.06 0.00 1.00 0.00 0.00 64.86 64.69 3gza h ILE 365 Cb 1.22 0.74 -0.18 0.00 -0.74 0.00 0.00 36.82 37.86 3gza h ILE 365 CO 0.55 0.25 0.15 0.00 0.00 0.00 0.00 178.15 179.10 3gza s ALA 366 N -5.52 -1.63 0.01 1.87 0.00 -1.24 -5.02 121.76 110.23 3gza s ALA 366 Ca -0.13 1.04 -0.01 0.00 0.00 0.00 0.00 51.96 52.86 3gza s ALA 366 Cb 0.11 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.42 3gza s ALA 366 CO 0.77 -0.44 0.01 0.50 0.00 0.00 0.00 175.76 176.60 3gza s ARG 367 N -1.76 0.21 0.08 0.00 3.52 -1.26 -1.84 118.95 117.90 3gza s ARG 367 Ca -0.09 -0.31 -0.11 0.00 -0.13 0.00 0.00 55.73 55.09 3gza s ARG 367 Cb -0.01 0.08 0.01 0.00 -1.56 0.00 0.00 34.95 33.47 3gza s ARG 367 CO 0.05 -0.04 0.24 -1.50 -0.81 0.00 0.00 175.30 173.24 3gza s ILE 368 N -0.82 0.12 0.12 4.11 2.07 -0.15 -4.99 121.20 121.66 3gza s ILE 368 Ca -0.09 -0.95 -0.02 0.00 -1.41 0.00 0.00 60.65 58.18 3gza s ILE 368 Cb -0.06 -1.17 -0.04 0.00 0.13 0.00 0.00 42.46 41.33 3gza s ILE 368 CO -0.00 -0.53 0.07 -0.94 -1.91 0.00 0.00 174.94 171.63 3gza s SER 369 N -2.57 0.30 0.00 4.50 1.04 -1.26 -0.46 113.70 115.25 3gza s SER 369 Ca 0.01 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.31 3gza s SER 369 Cb 0.02 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.44 3gza s SER 369 CO -0.09 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.02 3gza n GLY 370 N -0.07 2.38 3.36 7.32 0.00 0.26 -5.01 105.19 113.43 3gza n GLY 370 Ca -0.07 -0.84 -0.45 0.00 0.00 0.00 0.00 46.02 44.66 3gza n GLY 370 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gza s GLN 371 N -2.00 4.16 0.08 1.61 -0.21 -1.26 -1.32 119.66 120.73 3gza s GLN 371 Ca 0.00 -3.06 -0.09 0.00 0.02 0.00 0.00 55.36 52.23 3gza s GLN 371 Cb 0.00 -4.66 0.00 0.00 1.00 0.00 0.00 33.01 29.35 3gza s GLN 371 CO 0.00 -1.35 0.20 0.15 -2.12 0.00 0.00 175.29 172.17 3gza s LYS 372 N -0.63 0.84 0.00 2.91 1.02 -1.18 -4.91 119.74 117.80 3gza s LYS 372 Ca 0.33 -0.91 0.26 0.00 0.02 0.00 0.00 55.97 55.67 3gza s LYS 372 Cb -0.09 0.34 0.66 0.00 -0.52 0.00 0.00 37.83 38.23 3gza s LYS 372 CO -0.06 -0.27 1.52 1.63 -0.92 0.00 0.00 175.35 177.25 3gza n LYS 373 N 0.02 0.24 -3.77 1.68 5.02 -1.26 -4.43 118.16 115.67 3gza n LYS 373 Ca -0.16 -0.13 -0.14 0.00 -2.02 0.00 0.00 58.31 55.86 3gza n LYS 373 Cb 0.62 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.98 3gza n LYS 373 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3gza s SER 374 N -2.85 -0.03 -0.04 4.39 0.15 -1.26 0.17 113.70 114.23 3gza s SER 374 Ca 0.15 0.17 0.01 0.00 0.70 0.00 0.00 55.95 56.99 3gza s SER 374 Cb 0.18 0.07 0.02 0.00 -1.71 0.00 0.00 66.02 64.59 3gza s SER 374 CO 0.63 -0.13 -0.04 -0.76 1.20 0.00 0.00 173.24 174.15 3gza s LEU 375 N 1.02 1.32 -0.14 3.45 1.43 -0.29 -5.00 118.68 120.47 3gza s LEU 375 Ca -0.08 -0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 52.89 3gza s LEU 375 Cb -0.11 -0.39 -0.02 0.00 0.03 0.00 0.00 46.19 45.70 3gza s LEU 375 CO -0.04 -0.06 -0.08 -0.89 0.23 0.00 0.00 176.35 175.51 3gza s THR 376 N 0.89 3.48 -0.38 5.49 2.01 -1.26 -0.58 115.64 125.29 3gza s THR 376 Ca -0.11 -0.51 -0.10 0.00 0.31 0.00 0.00 61.69 61.28 3gza s THR 376 Cb -0.14 -2.50 0.04 0.00 0.01 0.00 0.00 72.50 69.91 3gza s THR 376 CO -0.00 0.51 0.20 -0.22 -0.69 0.00 0.00 174.62 174.42 3gza s LEU 377 N 0.33 4.75 -0.05 4.42 2.96 0.16 -4.97 118.68 126.27 3gza s LEU 377 Ca -0.07 -1.08 -0.27 0.00 -0.22 0.00 0.00 54.13 52.49 3gza s LEU 377 Cb -0.15 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 3gza s LEU 377 CO 0.04 -0.40 0.87 -1.59 -1.32 0.00 0.00 176.35 173.95 3gza s LYS 378 N 1.52 4.48 0.21 1.98 -2.85 -1.26 -1.35 119.74 122.48 3gza s LYS 378 Ca 0.02 1.18 0.15 0.00 -1.00 0.00 0.00 55.97 56.32 3gza s LYS 378 Cb -0.20 -3.47 -0.00 0.00 -2.06 0.00 0.00 37.83 32.10 3gza s LYS 378 CO 0.06 -0.06 1.26 -0.07 0.10 0.00 0.00 175.35 176.65 3gza h LEU 379 N 7.03 0.00 0.00 2.77 3.38 -1.40 -3.47 115.31 123.62 3gza h LEU 379 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3gza h LEU 379 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3gza h LEU 379 CO 0.77 0.53 0.00 0.61 0.09 0.00 0.00 178.44 180.44 3gza n GLY 380 N 1.28 2.87 3.45 0.83 0.00 -1.26 -4.89 105.19 107.47 3gza n GLY 380 Ca -0.01 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 3gza n GLY 380 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gza s LYS 381 N 0.00 1.13 0.13 1.61 -2.85 -1.26 -5.13 119.74 113.37 3gza s LYS 381 Ca 0.00 -0.34 -0.31 0.00 -1.00 0.00 0.00 55.97 54.32 3gza s LYS 381 Cb 0.00 0.52 -0.09 0.00 -2.06 0.00 0.00 37.83 36.20 3gza s LYS 381 CO 0.00 -0.48 1.56 -2.00 0.10 0.00 0.00 175.35 174.53 3gza s GLU 382 N -3.27 4.23 0.20 1.78 2.12 -1.26 -4.70 118.70 117.79 3gza s GLU 382 Ca 0.01 2.29 -0.23 0.00 0.36 0.00 0.00 54.97 57.40 3gza s GLU 382 Cb -0.01 -3.30 0.05 0.00 0.26 0.00 0.00 34.13 31.13 3gza s GLU 382 CO -0.09 -0.61 0.82 1.14 -0.54 0.00 0.00 175.26 175.97 3gza s GLN 383 N 1.57 1.43 0.34 4.30 -2.07 -0.83 -4.93 119.66 119.48 3gza s GLN 383 Ca 0.70 -0.76 -0.26 0.00 -1.82 0.00 0.00 55.36 53.22 3gza s GLN 383 Cb -0.41 0.51 -0.10 0.00 -1.09 0.00 0.00 33.01 31.92 3gza s GLN 383 CO 0.31 -0.65 1.00 0.45 -1.32 0.00 0.00 175.29 175.07 3gza s SER 384 N -2.88 7.15 -0.06 12.60 0.15 -1.26 -1.32 113.70 128.08 3gza s SER 384 Ca 0.10 1.95 -0.04 0.00 0.70 0.00 0.00 55.95 58.67 3gza s SER 384 Cb -0.03 -2.59 0.02 0.00 -1.71 0.00 0.00 66.02 61.71 3gza s SER 384 CO 0.02 -0.21 0.14 0.68 1.20 0.00 0.00 173.24 175.07 3gza s VAL 385 N -1.57 -0.02 0.00 4.45 -7.23 -0.02 -4.52 120.40 111.49 3gza s VAL 385 Ca 0.52 0.08 0.00 0.00 -1.81 0.00 0.00 61.98 60.77 3gza s VAL 385 Cb -0.21 -0.22 0.00 0.00 0.56 0.00 0.00 36.38 36.51 3gza s VAL 385 CO 0.27 0.03 0.16 -0.46 -0.31 0.00 0.00 175.10 174.79 3gza n ASN 386 N 3.55 0.14 -3.89 4.85 6.94 -0.86 -1.16 115.26 124.83 3gza n ASN 386 Ca -0.19 -1.02 -0.11 0.00 -0.02 0.00 0.00 54.58 53.24 3gza n ASN 386 Cb 0.56 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.88 3gza n ASN 386 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 3gza s TYR 387 N -0.02 0.09 0.06 -2.53 2.02 -1.01 -1.16 117.35 114.80 3gza s TYR 387 Ca 0.00 -0.22 0.00 0.00 -0.37 0.00 0.00 57.07 56.48 3gza s TYR 387 Cb 0.00 -0.08 -0.04 0.00 -0.40 0.00 0.00 41.96 41.45 3gza s TYR 387 CO 0.00 -0.27 -0.04 0.00 -1.57 0.00 0.00 175.55 173.66 3gza s ILE 389 N -3.18 1.53 -0.02 0.00 1.01 -0.46 -0.61 121.20 119.47 3gza s ILE 389 Ca 0.03 -0.80 0.04 0.00 0.00 0.00 0.00 60.65 59.92 3gza s ILE 389 Cb 0.03 -1.29 -0.00 0.00 0.01 0.00 0.00 42.46 41.20 3gza s ILE 389 CO -0.06 0.44 -0.13 -0.63 0.00 0.00 0.00 174.94 174.56 3gza s ILE 390 N -0.20 1.05 -0.02 2.92 1.01 -0.63 -1.17 121.20 124.15 3gza s ILE 390 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.13 3gza s ILE 390 Cb -0.10 -0.89 0.03 0.00 0.01 0.00 0.00 42.46 41.51 3gza s ILE 390 CO 0.01 0.30 0.03 -1.10 0.00 0.00 0.00 174.94 174.18 3gza s GLN 391 N -0.09 -0.03 0.35 2.79 -0.21 0.26 -0.56 119.66 122.18 3gza s GLN 391 Ca 0.01 0.17 -0.05 0.00 0.02 0.00 0.00 55.36 55.51 3gza s GLN 391 Cb -0.07 -0.24 -0.05 0.00 1.00 0.00 0.00 33.01 33.65 3gza s GLN 391 CO 0.00 -0.16 0.63 -1.21 -2.12 0.00 0.00 175.29 172.43 3gza s GLU 392 N 1.00 3.60 -0.93 2.91 2.02 -0.00 -1.22 118.70 126.08 3gza s GLU 392 Ca -0.08 0.04 -0.24 0.00 0.02 0.00 0.00 54.97 54.70 3gza s GLU 392 Cb -0.12 -2.56 0.03 0.00 0.10 0.00 0.00 34.13 31.58 3gza s GLU 392 CO -0.03 0.09 1.47 1.21 0.02 0.00 0.00 175.26 178.02 3gza s ASN 393 N -3.52 6.25 0.59 -0.19 3.84 0.77 -4.53 114.94 118.15 3gza s ASN 393 Ca 0.45 -1.07 0.29 0.00 0.21 0.00 0.00 52.86 52.74 3gza s ASN 393 Cb -0.10 -2.57 1.79 0.00 -0.55 0.00 0.00 41.25 39.82 3gza s ASN 393 CO 0.34 -1.73 2.24 -0.29 -2.79 0.00 0.00 177.10 174.87 3gza h ILE 394 N 6.66 0.55 -0.06 -5.21 6.09 -1.87 -0.34 117.51 123.33 3gza h ILE 394 Ca 0.06 0.00 0.02 0.00 -1.37 0.00 0.00 64.86 63.56 3gza h ILE 394 Cb 1.02 0.99 -0.00 0.00 0.47 0.00 0.00 36.82 39.30 3gza h ILE 394 CO 1.37 0.00 0.06 0.07 -3.07 0.00 0.00 178.15 176.58 3gza h LYS 395 N 0.00 0.00 -0.42 2.19 2.10 -1.95 -1.26 116.57 117.23 3gza h LYS 395 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3gza h LYS 395 Cb 0.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 3gza h LYS 395 CO -0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 3gza n ASN 396 N -3.98 2.57 0.00 7.07 3.02 -0.14 -4.46 115.26 119.35 3gza n ASN 396 Ca -0.02 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 3gza n ASN 396 Cb 0.16 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 3gza n ASN 396 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gza n GLY 397 N 1.29 -3.56 3.34 7.41 0.00 -0.48 -4.79 105.19 108.40 3gza n GLY 397 Ca 0.17 -1.93 -0.46 0.00 0.00 0.00 0.00 46.02 43.80 3gza n GLY 397 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gza s GLU 398 N -0.91 3.40 -0.09 1.61 2.02 -1.26 -4.63 118.70 118.85 3gza s GLU 398 Ca 0.00 -2.13 -0.03 0.00 0.02 0.00 0.00 54.97 52.82 3gza s GLU 398 Cb 0.00 -4.42 -0.26 0.00 0.10 0.00 0.00 34.13 29.55 3gza s GLU 398 CO 0.00 -1.35 0.50 0.00 0.02 0.00 0.00 175.26 174.43 3gza h ARG 399 N 8.25 0.23 -6.58 1.61 3.08 -1.90 -3.46 114.38 115.61 3gza h ARG 399 Ca -0.02 -0.40 -0.53 0.00 0.07 0.00 0.00 59.98 59.10 3gza h ARG 399 Cb 1.06 0.15 0.03 0.00 0.08 0.00 0.00 29.97 31.28 3gza h ARG 399 CO 0.88 1.09 0.71 0.42 -1.07 0.00 0.00 179.97 181.99 3gza s ILE 400 N -2.57 3.29 -0.02 2.04 1.01 -1.26 -1.11 121.20 122.57 3gza s ILE 400 Ca -0.17 0.95 0.02 0.00 0.00 0.00 0.00 60.65 61.45 3gza s ILE 400 Cb 0.07 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 3gza s ILE 400 CO 0.80 0.09 0.01 0.54 0.00 0.00 0.00 174.94 176.37 3gza n ARG 401 N 3.62 3.63 -3.74 2.79 5.12 0.09 -4.56 116.66 123.62 3gza n ARG 401 Ca 0.10 -0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.90 3gza n ARG 401 Cb 0.42 -1.05 -0.12 0.00 -1.16 0.00 0.00 32.46 30.56 3gza n ARG 401 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 3gza s GLN 402 N -2.05 0.30 0.09 5.56 0.74 -0.80 -4.40 119.66 119.10 3gza s GLN 402 Ca -0.01 0.54 -0.09 0.00 0.05 0.00 0.00 55.36 55.85 3gza s GLN 402 Cb 0.01 0.01 -0.00 0.00 1.10 0.00 0.00 33.01 34.12 3gza s GLN 402 CO 0.08 -0.12 0.19 1.52 -0.55 0.00 0.00 175.29 176.41 3gza s TYR 403 N 0.87 0.16 0.06 1.67 -0.85 -0.50 -1.30 117.35 117.46 3gza s TYR 403 Ca -0.06 -0.59 0.03 0.00 -0.52 0.00 0.00 57.07 55.92 3gza s TYR 403 Cb -0.07 -0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.18 3gza s TYR 403 CO -0.06 -0.54 -0.09 -0.65 -1.52 0.00 0.00 175.55 172.69 3gza s GLN 404 N -3.86 0.64 -0.09 -3.49 1.11 -0.52 -0.93 119.66 112.51 3gza s GLN 404 Ca 0.05 -0.91 0.04 0.00 0.01 0.00 0.00 55.36 54.55 3gza s GLN 404 Cb 0.05 -0.36 0.00 0.00 -1.01 0.00 0.00 33.01 31.69 3gza s GLN 404 CO -0.11 0.06 -0.21 0.42 0.01 0.00 0.00 175.29 175.45 3gza s ILE 405 N -1.82 1.85 0.21 1.08 1.01 -0.14 -1.49 121.20 121.90 3gza s ILE 405 Ca -0.04 -0.90 0.11 0.00 0.00 0.00 0.00 60.65 59.82 3gza s ILE 405 Cb -0.07 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 3gza s ILE 405 CO -0.00 0.51 -0.20 -1.61 0.00 0.00 0.00 174.94 173.64 3gza s GLU 406 N 0.40 1.67 -0.01 2.79 2.02 -0.18 -0.73 118.70 124.66 3gza s GLU 406 Ca -0.17 -1.52 0.07 0.00 0.02 0.00 0.00 54.97 53.37 3gza s GLU 406 Cb -0.17 -1.90 -0.02 0.00 0.10 0.00 0.00 34.13 32.14 3gza s GLU 406 CO 0.08 0.39 -0.22 0.00 0.02 0.00 0.00 175.26 175.53 3gza s ALA 407 N -1.84 1.83 -0.52 5.21 0.00 0.40 -0.51 121.76 126.34 3gza s ALA 407 Ca 0.23 -0.97 -0.21 0.00 0.00 0.00 0.00 51.96 51.02 3gza s ALA 407 Cb -0.08 -0.45 0.05 0.00 0.00 0.00 0.00 23.12 22.64 3gza s ALA 407 CO 0.12 0.44 0.73 0.21 0.00 0.00 0.00 175.76 177.26 3gza s LYS 408 N -0.61 3.20 -0.19 0.00 2.20 -0.04 -0.95 119.74 123.34 3gza s LYS 408 Ca 0.08 -0.65 -0.01 0.00 -0.36 0.00 0.00 55.97 55.03 3gza s LYS 408 Cb -0.09 -4.07 0.01 0.00 -1.51 0.00 0.00 37.83 32.17 3gza s LYS 408 CO -0.00 -1.29 -0.14 0.08 -0.36 0.00 0.00 175.35 173.63 3gza s VAL 409 N 3.07 2.57 -1.47 4.02 1.01 0.04 -1.38 120.40 128.26 3gza s VAL 409 Ca 0.21 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.36 3gza s VAL 409 Cb -0.17 -2.12 0.05 0.00 0.00 0.00 0.00 36.38 34.14 3gza s VAL 409 CO 0.15 0.50 0.62 0.59 0.00 0.00 0.00 175.10 176.96 3gza n ASN 410 N 4.65 -1.73 0.00 3.32 3.02 -1.26 -1.52 115.26 121.74 3gza n ASN 410 Ca -0.20 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 3gza n ASN 410 Cb 0.50 -3.28 0.00 0.00 -0.61 0.00 0.00 39.78 36.39 3gza n ASN 410 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gza n GLY 411 N -1.76 0.72 3.18 7.41 0.00 -1.26 -5.00 105.19 108.47 3gza n GLY 411 Ca -0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 3gza n GLY 411 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gza s LYS 412 N -0.26 1.79 0.22 1.61 2.36 -0.57 -5.07 119.74 119.81 3gza s LYS 412 Ca 0.00 -0.68 -0.30 0.00 -2.55 0.00 0.00 55.97 52.44 3gza s LYS 412 Cb 0.00 -1.61 -0.09 0.00 -1.05 0.00 0.00 37.83 35.08 3gza s LYS 412 CO 0.00 0.33 1.17 -1.58 1.55 0.00 0.00 175.35 176.82 3gza s TRP 413 N -0.20 3.46 0.02 4.03 0.52 -1.26 -0.78 118.94 124.73 3gza s TRP 413 Ca 0.01 1.51 0.02 0.00 0.02 0.00 0.00 56.10 57.66 3gza s TRP 413 Cb -0.10 -3.39 -0.01 0.00 -1.15 0.00 0.00 33.47 28.82 3gza s TRP 413 CO 0.01 -1.01 -0.06 1.14 0.02 0.00 0.00 176.95 177.05 3gza s GLN 414 N -0.65 0.41 -0.02 4.98 -2.07 -0.13 -4.93 119.66 117.25 3gza s GLN 414 Ca 0.50 -0.41 -0.29 0.00 -1.82 0.00 0.00 55.36 53.34 3gza s GLN 414 Cb -0.33 -0.29 -0.03 0.00 -1.09 0.00 0.00 33.01 31.28 3gza s GLN 414 CO 0.39 0.07 0.95 0.99 -1.32 0.00 0.00 175.29 176.37 3gza s THR 415 N -0.67 4.88 -0.08 3.63 2.01 -1.26 -0.45 115.64 123.69 3gza s THR 415 Ca -0.04 1.99 0.15 0.00 0.31 0.00 0.00 61.69 64.11 3gza s THR 415 Cb -0.05 -4.29 -0.23 0.00 0.01 0.00 0.00 72.50 67.94 3gza s THR 415 CO -0.00 0.15 0.22 1.33 -0.69 0.00 0.00 174.62 175.63 3gza n VAL 416 N 3.96 0.50 -3.56 3.82 0.24 0.09 -4.91 118.33 118.47 3gza n VAL 416 Ca 0.06 -0.51 -0.09 0.00 -2.04 0.00 0.00 64.34 61.75 3gza n VAL 416 Cb 0.51 -0.21 -0.02 0.00 -1.47 0.00 0.00 33.84 32.64 3gza n VAL 416 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gza s LYS 418 N -3.54 0.09 0.00 0.00 1.02 -1.26 -0.96 119.74 115.09 3gza s LYS 418 Ca 0.05 -0.01 0.00 0.00 0.02 0.00 0.00 55.97 56.03 3gza s LYS 418 Cb -0.02 0.04 0.00 0.00 -0.52 0.00 0.00 37.83 37.33 3gza s LYS 418 CO -0.07 -0.01 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 3gza n GLY 419 N 2.87 2.93 0.00 -3.33 0.00 -0.11 -5.00 105.19 102.55 3gza n GLY 419 Ca -0.14 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3gza n GLY 419 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gza n GLU 420 N 0.00 0.00 -2.49 1.61 1.02 -1.26 -1.40 120.64 118.12 3gza n GLU 420 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.77 3gza n GLU 420 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 3gza n GLU 420 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3gza s SER 421 N 1.00 6.77 0.02 1.62 1.04 -1.26 -3.95 113.70 118.93 3gza s SER 421 Ca 0.00 2.12 0.00 0.00 0.48 0.00 0.00 55.95 58.55 3gza s SER 421 Cb 0.00 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.52 3gza s SER 421 CO 0.00 -0.49 0.00 0.52 0.98 0.00 0.00 173.24 174.25 3gza n VAL 422 N 0.10 0.12 -4.52 5.02 0.31 -1.26 -4.90 118.33 113.21 3gza n VAL 422 Ca 0.04 0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 3gza n VAL 422 Cb 0.48 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 3gza n VAL 422 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gza n GLY 423 N 3.14 1.37 0.32 2.92 0.00 -1.26 -3.56 105.19 108.13 3gza n GLY 423 Ca 0.00 -0.69 -0.05 0.00 0.00 0.00 0.00 46.02 45.27 3gza n GLY 423 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3gza h HIS 424 N 0.00 1.09 -1.99 1.61 -0.00 -1.91 0.04 115.15 113.99 3gza h HIS 424 Ca 0.00 -0.11 0.01 0.00 -0.00 0.00 0.00 60.37 60.27 3gza h HIS 424 Cb 0.00 -0.32 -0.21 0.00 -0.00 0.00 0.00 27.41 26.88 3gza h HIS 424 CO 0.00 0.87 0.05 0.21 -0.00 0.00 0.00 177.93 179.07 3gza s LYS 425 N -5.34 0.73 -0.09 5.26 2.20 -1.23 -4.15 119.74 117.12 3gza s LYS 425 Ca -0.11 1.17 0.04 0.00 -0.36 0.00 0.00 55.97 56.70 3gza s LYS 425 Cb 0.15 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.67 3gza s LYS 425 CO 0.83 -0.14 -0.22 0.50 -0.36 0.00 0.00 175.35 175.97 3gza s ARG 426 N 1.36 2.78 -0.20 4.03 6.06 0.27 -2.02 118.95 131.24 3gza s ARG 426 Ca -0.08 -0.79 -0.03 0.00 -2.50 0.00 0.00 55.73 52.33 3gza s ARG 426 Cb -0.05 -2.13 -0.01 0.00 0.06 0.00 0.00 34.95 32.83 3gza s ARG 426 CO -0.15 0.15 -0.06 0.42 -2.50 0.00 0.00 175.30 173.15 3gza s ILE 427 N 0.41 3.29 -0.17 4.11 1.01 -0.26 -1.61 121.20 127.97 3gza s ILE 427 Ca -0.18 -0.53 -0.03 0.00 0.00 0.00 0.00 60.65 59.91 3gza s ILE 427 Cb -0.18 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.81 3gza s ILE 427 CO 0.08 0.45 -0.07 -1.61 0.00 0.00 0.00 174.94 173.79 3gza s GLU 428 N 1.27 3.46 -0.10 2.79 0.41 0.22 -4.88 118.70 121.86 3gza s GLU 428 Ca 0.03 -0.61 0.02 0.00 -0.41 0.00 0.00 54.97 54.00 3gza s GLU 428 Cb -0.14 -2.87 -0.02 0.00 -1.78 0.00 0.00 34.13 29.32 3gza s GLU 428 CO -0.02 0.05 -0.15 0.21 -0.49 0.00 0.00 175.26 174.85 3gza s LYS 429 N 0.83 3.05 0.11 1.61 2.20 -1.26 -0.93 119.74 125.34 3gza s LYS 429 Ca -0.02 -0.72 -0.07 0.00 -0.36 0.00 0.00 55.97 54.80 3gza s LYS 429 Cb -0.15 -2.50 -0.01 0.00 -1.51 0.00 0.00 37.83 33.66 3gza s LYS 429 CO 0.01 0.34 0.17 -0.59 -0.36 0.00 0.00 175.35 174.92 3gza s PHE 430 N 0.01 0.32 0.28 4.03 -0.12 -0.31 -5.00 117.98 117.19 3gza s PHE 430 Ca -0.05 -0.75 -0.30 0.00 -0.05 0.00 0.00 56.93 55.78 3gza s PHE 430 Cb -0.14 -0.14 -0.13 0.00 -0.63 0.00 0.00 43.02 41.98 3gza s PHE 430 CO 0.04 -0.56 1.38 0.39 -0.05 0.00 0.00 175.22 176.42 3gza n GLU 431 N -0.08 2.12 -2.06 1.99 1.02 -1.26 -4.63 120.64 117.74 3gza n GLU 431 Ca -0.12 0.75 -0.39 0.00 -0.02 0.00 0.00 57.16 57.38 3gza n GLU 431 Cb 0.62 -2.39 -0.00 0.00 -0.02 0.00 0.00 31.44 29.65 3gza n GLU 431 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3gza s PRO 432 N -0.94 3.92 0.10 3.49 0.04 -1.26 -4.81 135.00 135.54 3gza s PRO 432 Ca 0.63 2.13 0.06 0.00 0.04 0.00 0.00 61.00 63.87 3gza s PRO 432 Cb -0.61 -2.71 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 3gza s PRO 432 CO 0.54 -0.53 -0.15 0.14 0.04 0.00 0.00 177.00 177.04 3gza s VAL 433 N -1.28 1.32 -0.57 -0.36 -7.23 -0.31 -4.92 120.40 107.05 3gza s VAL 433 Ca 0.58 -1.54 -0.19 0.00 -1.81 0.00 0.00 61.98 59.02 3gza s VAL 433 Cb -0.37 -1.36 0.09 0.00 0.56 0.00 0.00 36.38 35.29 3gza s VAL 433 CO 0.48 -0.28 0.68 -1.61 -0.31 0.00 0.00 175.10 174.06 3gza s GLU 434 N -2.19 3.07 0.19 4.82 0.41 -1.26 -0.84 118.70 122.89 3gza s GLU 434 Ca 0.04 -1.17 0.08 0.00 -0.41 0.00 0.00 54.97 53.51 3gza s GLU 434 Cb -0.08 -4.21 -0.04 0.00 -1.78 0.00 0.00 34.13 28.02 3gza s GLU 434 CO 0.03 -1.45 -0.17 0.00 -0.49 0.00 0.00 175.26 173.19 3gza s ALA 435 N 2.70 2.06 -0.50 5.21 0.00 -0.44 -4.40 121.76 126.39 3gza s ALA 435 Ca 0.13 -1.58 0.12 0.00 0.00 0.00 0.00 51.96 50.63 3gza s ALA 435 Cb -0.22 -0.15 -0.14 0.00 0.00 0.00 0.00 23.12 22.61 3gza s ALA 435 CO 0.08 0.17 0.49 0.25 0.00 0.00 0.00 175.76 176.75 3gza n THR 436 N -0.04 0.00 -3.45 0.00 -2.24 -0.48 -1.96 114.28 106.11 3gza n THR 436 Ca -0.10 -0.22 -0.13 0.00 -2.27 0.00 0.00 64.05 61.33 3gza n THR 436 Cb 0.59 0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 69.67 3gza n THR 436 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gza s ALA 437 N -2.26 -1.65 0.04 6.98 0.00 -1.26 -0.93 121.76 122.67 3gza s ALA 437 Ca 0.03 0.70 0.05 0.00 0.00 0.00 0.00 51.96 52.75 3gza s ALA 437 Cb 0.09 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.85 3gza s ALA 437 CO 0.51 -0.68 -0.15 -0.51 0.00 0.00 0.00 175.76 174.92 3gza s LEU 438 N -2.41 2.17 -0.05 0.00 1.43 -0.45 -0.86 118.68 118.51 3gza s LEU 438 Ca -0.01 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 3gza s LEU 438 Cb -0.01 -0.67 0.02 0.00 0.03 0.00 0.00 46.19 45.56 3gza s LEU 438 CO -0.08 0.05 -0.03 -0.60 0.23 0.00 0.00 176.35 175.93 3gza s ARG 439 N -1.16 0.71 -0.21 1.70 3.52 0.34 0.37 118.95 124.23 3gza s ARG 439 Ca 0.03 -0.03 -0.13 0.00 -0.13 0.00 0.00 55.73 55.47 3gza s ARG 439 Cb -0.08 -0.83 -0.05 0.00 -1.56 0.00 0.00 34.95 32.43 3gza s ARG 439 CO 0.01 -0.14 0.26 -1.17 -0.81 0.00 0.00 175.30 173.45 3gza s LEU 440 N 1.20 4.16 -0.13 -0.88 2.96 0.25 -1.01 118.68 125.24 3gza s LEU 440 Ca -0.07 0.34 0.02 0.00 -0.22 0.00 0.00 54.13 54.21 3gza s LEU 440 Cb -0.14 -2.29 0.01 0.00 0.50 0.00 0.00 46.19 44.27 3gza s LEU 440 CO -0.02 0.04 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.96 3gza s THR 441 N 0.95 1.90 -0.50 3.68 2.01 -0.56 -1.13 115.64 122.00 3gza s THR 441 Ca 0.13 -0.89 -0.16 0.00 0.31 0.00 0.00 61.69 61.08 3gza s THR 441 Cb -0.14 -1.69 0.09 0.00 0.01 0.00 0.00 72.50 70.77 3gza s THR 441 CO 0.05 0.52 0.45 -0.69 -0.69 0.00 0.00 174.62 174.26 3gza s VAL 442 N 0.80 5.18 -0.36 3.82 1.01 0.13 -1.44 120.40 129.54 3gza s VAL 442 Ca -0.08 -1.12 0.23 0.00 0.00 0.00 0.00 61.98 61.00 3gza s VAL 442 Cb -0.16 -4.21 0.21 0.00 0.00 0.00 0.00 36.38 32.22 3gza s VAL 442 CO -0.00 -0.69 1.39 0.77 0.00 0.00 0.00 175.10 176.57 3gza h SER 443 N 8.82 0.00 -3.44 3.32 4.64 -1.49 -3.45 113.55 121.95 3gza h SER 443 Ca -0.29 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.76 3gza h SER 443 Cb 1.11 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.86 3gza h SER 443 CO 0.93 0.01 -0.66 -0.70 -0.87 0.00 0.00 176.83 175.55 3gza s GLU 444 N -3.26 0.03 0.07 4.77 2.12 -1.13 -4.95 118.70 116.34 3gza s GLU 444 Ca 0.04 0.31 -0.14 0.00 0.36 0.00 0.00 54.97 55.54 3gza s GLU 444 Cb 0.07 -0.23 0.02 0.00 0.26 0.00 0.00 34.13 34.25 3gza s GLU 444 CO 0.72 -0.18 0.32 -1.54 -0.54 0.00 0.00 175.26 174.03 3gza s SER 445 N 1.23 -0.12 0.00 -1.70 1.04 -1.26 -0.73 113.70 112.16 3gza s SER 445 Ca -0.08 -0.29 0.22 0.00 0.48 0.00 0.00 55.95 56.28 3gza s SER 445 Cb -0.12 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.36 3gza s SER 445 CO -0.05 -0.70 1.07 2.30 0.98 0.00 0.00 173.24 176.84 3gza n ILE 446 N 0.25 0.00 -3.64 -1.02 -5.35 -0.27 -4.93 119.36 104.39 3gza n ILE 446 Ca -0.17 -0.22 -0.05 0.00 -0.27 0.00 0.00 62.75 62.03 3gza n ILE 446 Cb 0.61 1.21 -0.02 0.00 -1.74 0.00 0.00 39.64 39.70 3gza n ILE 446 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3gza s ALA 447 N -2.55 -1.74 -0.01 -1.28 0.00 -1.26 -5.07 121.76 109.86 3gza s ALA 447 Ca 0.17 0.51 -0.32 0.00 0.00 0.00 0.00 51.96 52.32 3gza s ALA 447 Cb 0.18 0.54 -0.10 0.00 0.00 0.00 0.00 23.12 23.74 3gza s ALA 447 CO 0.61 -0.89 1.93 -0.11 0.00 0.00 0.00 175.76 177.30 3gza n LEU 448 N -0.38 3.88 -4.70 0.00 7.94 -1.26 -4.78 117.00 117.70 3gza n LEU 448 Ca -0.07 0.93 -0.38 0.00 -1.11 0.00 0.00 56.01 55.38 3gza n LEU 448 Cb 0.61 -1.47 0.05 0.00 0.53 0.00 0.00 43.42 43.14 3gza n LEU 448 CO 0.12 0.10 0.85 -2.65 -1.11 0.00 0.00 177.39 174.70 3gza n PRO 449 N 7.09 1.40 -3.86 1.96 -0.02 -1.26 -4.92 135.00 135.39 3gza n PRO 449 Ca 0.21 0.52 -0.29 0.00 -2.02 0.00 0.00 63.50 61.92 3gza n PRO 449 Cb 0.36 -2.44 -0.13 0.00 -0.02 0.00 0.00 33.50 31.27 3gza n PRO 449 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3gza s ASP 450 N -1.05 4.26 -0.42 2.55 -1.08 -1.26 -3.09 116.67 116.57 3gza s ASP 450 Ca 0.74 -3.34 -0.21 0.00 -0.52 0.00 0.00 52.55 49.22 3gza s ASP 450 Cb -0.42 -1.47 0.02 0.00 -1.46 0.00 0.00 42.92 39.58 3gza s ASP 450 CO 0.48 -0.17 0.64 -0.63 0.52 0.00 0.00 175.17 176.01 3gza s ILE 451 N -0.70 4.84 -0.73 4.11 1.01 -0.43 -0.16 121.20 129.13 3gza s ILE 451 Ca 0.22 0.20 0.25 0.00 0.00 0.00 0.00 60.65 61.31 3gza s ILE 451 Cb -0.14 -4.18 0.10 0.00 0.01 0.00 0.00 42.46 38.25 3gza s ILE 451 CO -0.09 -0.54 1.46 2.30 0.00 0.00 0.00 174.94 178.06 3gza n ILE 452 N 5.80 0.33 -3.62 2.92 -5.35 -0.36 -0.57 119.36 118.51 3gza n ILE 452 Ca -0.02 -0.22 -0.01 0.00 -0.27 0.00 0.00 62.75 62.23 3gza n ILE 452 Cb 0.48 -0.18 -0.04 0.00 -1.74 0.00 0.00 39.64 38.15 3gza n ILE 452 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3gza s ASN 453 N -4.04 -1.05 -0.21 7.28 2.47 -1.17 -4.68 114.94 113.54 3gza s ASN 453 Ca 0.08 1.46 -0.00 0.00 0.42 0.00 0.00 52.86 54.82 3gza s ASN 453 Cb 0.14 2.13 0.05 0.00 -1.45 0.00 0.00 41.25 42.13 3gza s ASN 453 CO 0.68 -0.21 -0.04 0.12 -3.72 0.00 0.00 177.10 173.94 3gza s PHE 454 N 2.71 1.97 0.11 0.43 5.36 0.39 -0.57 117.98 128.37 3gza s PHE 454 Ca -0.06 -1.42 0.03 0.00 -0.96 0.00 0.00 56.93 54.53 3gza s PHE 454 Cb -0.11 -1.41 -0.04 0.00 -0.34 0.00 0.00 43.02 41.12 3gza s PHE 454 CO -0.19 -0.70 -0.09 -1.54 -1.46 0.00 0.00 175.22 171.24 3gza s SER 455 N 1.54 1.40 0.07 6.13 1.04 -0.32 -0.97 113.70 122.59 3gza s SER 455 Ca -0.03 -0.91 0.10 0.00 0.48 0.00 0.00 55.95 55.59 3gza s SER 455 Cb -0.18 0.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 3gza s SER 455 CO -0.07 -0.34 -0.26 0.00 0.98 0.00 0.00 173.24 173.55 3gza s ALA 456 N -2.96 2.24 0.04 5.32 0.00 -0.76 -1.35 121.76 124.29 3gza s ALA 456 Ca 0.09 -1.30 -0.02 0.00 0.00 0.00 0.00 51.96 50.73 3gza s ALA 456 Cb 0.01 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 3gza s ALA 456 CO -0.01 0.52 -0.01 0.71 0.00 0.00 0.00 175.76 176.97 3gza s TYR 457 N -0.87 0.38 -0.22 0.00 1.51 -0.46 -0.05 117.35 117.64 3gza s TYR 457 Ca 0.12 -0.80 0.01 0.00 -1.01 0.00 0.00 57.07 55.39 3gza s TYR 457 Cb -0.10 -0.28 0.05 0.00 -0.11 0.00 0.00 41.96 41.52 3gza s TYR 457 CO 0.03 -0.32 -0.10 0.45 -1.11 0.00 0.00 175.55 174.50 3gza s SER 458 N -2.34 3.67 -0.23 2.29 0.15 -1.26 -2.02 113.70 113.96 3gza s SER 458 Ca -0.02 -1.02 -0.03 0.00 0.70 0.00 0.00 55.95 55.58 3gza s SER 458 Cb 0.01 -1.30 0.01 0.00 -1.71 0.00 0.00 66.02 63.02 3gza s SER 458 CO -0.06 -0.16 -0.06 -0.69 1.20 0.00 0.00 173.24 173.47 3gza s VAL 459 N 1.33 3.09 -2.20 4.45 1.01 -1.26 -4.99 120.40 121.83 3gza s VAL 459 Ca -0.03 -0.72 0.30 0.00 0.00 0.00 0.00 61.98 61.53 3gza s VAL 459 Cb -0.17 -2.45 0.77 0.00 0.00 0.00 0.00 36.38 34.52 3gza s VAL 459 CO -0.08 0.35 2.04 0.29 0.00 0.00 0.00 175.10 177.70