#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g8r s PRO 6 N 0.00 3.73 -0.15 1.64 0.02 -1.26 -4.77 135.00 134.22 3g8r s PRO 6 Ca 0.00 2.37 0.01 0.00 0.02 0.00 0.00 61.00 63.39 3g8r s PRO 6 Cb 0.00 -2.67 -0.00 0.00 0.02 0.00 0.00 34.50 31.85 3g8r s PRO 6 CO 0.00 -0.76 -0.16 -1.17 -0.33 0.00 0.00 177.00 174.58 3g8r s LEU 7 N -2.68 2.43 -0.09 -5.54 2.96 -0.18 -1.10 118.68 114.48 3g8r s LEU 7 Ca 0.60 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 54.02 3g8r s LEU 7 Cb -0.43 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 3g8r s LEU 7 CO 0.55 0.09 -0.03 -0.36 -1.32 0.00 0.00 176.35 175.28 3g8r s PHE 8 N 0.76 3.06 -0.08 5.38 0.08 -0.18 -0.37 117.98 126.63 3g8r s PHE 8 Ca -0.07 0.05 0.05 0.00 0.12 0.00 0.00 56.93 57.08 3g8r s PHE 8 Cb -0.15 -1.80 -0.00 0.00 -0.57 0.00 0.00 43.02 40.49 3g8r s PHE 8 CO 0.01 0.33 -0.24 0.42 -0.10 0.00 0.00 175.22 175.63 3g8r s ILE 9 N -0.61 2.00 -0.34 0.64 1.01 0.25 -0.14 121.20 124.02 3g8r s ILE 9 Ca 0.10 -1.01 -0.07 0.00 0.00 0.00 0.00 60.65 59.67 3g8r s ILE 9 Cb -0.12 -1.72 0.04 0.00 0.01 0.00 0.00 42.46 40.67 3g8r s ILE 9 CO 0.02 0.55 0.11 -0.36 0.00 0.00 0.00 174.94 175.26 3g8r s PHE 10 N 0.13 3.25 0.80 3.97 0.08 0.61 -1.55 117.98 125.28 3g8r s PHE 10 Ca -0.12 -1.39 -0.09 0.00 0.12 0.00 0.00 56.93 55.44 3g8r s PHE 10 Cb -0.16 -2.28 0.12 0.00 -0.57 0.00 0.00 43.02 40.12 3g8r s PHE 10 CO 0.06 -0.72 1.13 -2.00 -0.10 0.00 0.00 175.22 173.59 3g8r s GLU 11 N 1.41 1.61 0.00 0.44 2.56 -0.35 -0.09 118.70 124.27 3g8r s GLU 11 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 54.97 54.58 3g8r s GLU 11 Cb -0.19 -2.06 0.00 0.00 2.00 0.00 0.00 34.13 33.87 3g8r s GLU 11 CO 0.03 -1.69 0.00 0.00 -0.56 0.00 0.00 175.26 173.04 3g8r n ALA 13 N -3.23 0.00 -0.37 6.30 0.00 -1.25 -0.83 120.51 121.13 3g8r n ALA 13 Ca 0.11 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.62 3g8r n ALA 13 Cb 0.60 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.24 3g8r n ALA 13 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3g8r n ASN 14 N 0.00 3.26 0.00 0.00 3.02 -1.26 -4.44 115.26 115.83 3g8r n ASN 14 Ca 0.00 -2.23 0.06 0.00 -0.03 0.00 0.00 54.58 52.38 3g8r n ASN 14 Cb 0.00 -0.32 0.34 0.00 -0.61 0.00 0.00 39.78 39.19 3g8r n ASN 14 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3g8r n ASN 15 N 0.38 0.00 0.00 6.41 3.02 -1.26 -4.26 115.26 119.56 3g8r n ASN 15 Ca 0.15 -0.55 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 3g8r n ASN 15 Cb 0.55 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 3g8r n ASN 15 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g8r n HIS 16 N -0.89 0.00 0.00 3.10 1.44 -1.26 -4.74 115.22 112.86 3g8r n HIS 16 Ca 0.09 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.80 3g8r n HIS 16 Cb 0.04 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.15 3g8r n HIS 16 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3g8r n GLY 18 N 1.24 0.00 3.06 -1.39 0.00 -1.23 -4.63 105.19 102.23 3g8r n GLY 18 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3g8r n GLY 18 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3g8r s ASN 19 N 0.00 2.64 -0.06 1.61 3.84 -1.26 -4.87 114.94 116.84 3g8r s ASN 19 Ca 0.00 -0.48 -0.26 0.00 0.21 0.00 0.00 52.86 52.33 3g8r s ASN 19 Cb 0.00 -1.18 -0.22 0.00 -0.55 0.00 0.00 41.25 39.29 3g8r s ASN 19 CO 0.00 -0.01 1.07 0.58 -2.79 0.00 0.00 177.10 175.95 3g8r h VAL 20 N 5.98 1.54 -0.77 -5.21 2.07 -1.97 -3.19 116.25 114.70 3g8r h VAL 20 Ca -0.35 -1.72 0.14 0.00 0.82 0.00 0.00 66.70 65.59 3g8r h VAL 20 Cb 1.16 2.65 -0.14 0.00 -1.52 0.00 0.00 31.29 33.44 3g8r h VAL 20 CO 0.52 0.46 -0.29 -0.08 0.02 0.00 0.00 177.57 178.20 3g8r h GLU 21 N -0.59 -0.06 -6.37 1.57 4.81 -1.96 0.65 114.58 112.63 3g8r h GLU 21 Ca -0.01 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.65 3g8r h GLU 21 Cb 0.80 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.10 3g8r h GLU 21 CO 0.02 -0.04 0.79 -1.58 -0.73 0.00 0.00 179.01 177.47 3g8r s HIS 22 N -6.10 2.77 0.00 0.92 2.46 -1.20 -0.83 115.29 113.30 3g8r s HIS 22 Ca -0.14 0.39 0.00 0.00 0.47 0.00 0.00 55.06 55.78 3g8r s HIS 22 Cb 0.20 -4.29 0.00 0.00 -0.13 0.00 0.00 32.58 28.36 3g8r s HIS 22 CO 0.73 -1.35 0.00 0.41 -2.47 0.00 0.00 174.74 172.05 3g8r n GLY 23 N 5.00 3.93 0.12 1.59 0.00 -1.23 -4.52 105.19 110.08 3g8r n GLY 23 Ca 0.07 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 3g8r n GLY 23 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3g8r h VAL 24 N 0.00 1.39 0.00 1.61 2.07 -0.09 -2.60 116.25 118.63 3g8r h VAL 24 Ca 0.00 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.05 3g8r h VAL 24 Cb 0.00 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 3g8r h VAL 24 CO 0.00 0.42 0.00 0.00 0.02 0.00 0.00 177.57 178.01 3g8r n ALA 25 N -2.45 1.35 -0.06 1.67 0.00 -0.01 -2.08 120.51 118.93 3g8r n ALA 25 Ca -0.07 0.15 -0.20 0.00 0.00 0.00 0.00 53.44 53.31 3g8r n ALA 25 Cb 0.41 -1.36 -0.13 0.00 0.00 0.00 0.00 19.45 18.37 3g8r n ALA 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3g8r n LEU 26 N -2.27 2.71 -0.12 0.00 7.94 -1.23 -3.14 117.00 120.88 3g8r n LEU 26 Ca 0.00 0.09 -0.05 0.00 -1.11 0.00 0.00 56.01 54.94 3g8r n LEU 26 Cb 0.13 -1.02 0.03 0.00 0.53 0.00 0.00 43.42 43.10 3g8r n LEU 26 CO 0.15 0.85 0.93 0.40 -1.11 0.00 0.00 177.39 178.61 3g8r h ILE 27 N -0.05 0.85 -0.07 1.96 2.04 -1.13 -1.65 117.51 119.45 3g8r h ILE 27 Ca -0.49 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.21 3g8r h ILE 27 Cb 1.93 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 3g8r h ILE 27 CO -0.02 0.05 -0.27 0.03 0.00 0.00 0.00 178.15 177.94 3g8r h ARG 28 N 0.27 0.12 0.04 2.37 3.08 -1.56 0.12 114.38 118.82 3g8r h ARG 28 Ca 0.19 -0.04 -0.22 0.00 0.07 0.00 0.00 59.98 59.99 3g8r h ARG 28 Cb 0.20 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.25 3g8r h ARG 28 CO -0.21 0.39 -0.86 0.00 -1.07 0.00 0.00 179.97 178.21 3g8r h ALA 29 N 1.62 0.05 -1.00 0.04 0.00 -1.47 -2.69 119.26 115.80 3g8r h ALA 29 Ca 0.02 -0.66 0.08 0.00 0.00 0.00 0.00 54.91 54.35 3g8r h ALA 29 Cb 0.55 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 3g8r h ALA 29 CO 0.04 0.50 0.64 0.82 0.00 0.00 0.00 179.25 181.25 3g8r h ILE 30 N 0.06 1.03 -0.79 0.00 1.08 -0.65 -0.64 117.51 117.60 3g8r h ILE 30 Ca -0.12 -0.38 0.01 0.00 -0.39 0.00 0.00 64.86 63.98 3g8r h ILE 30 Cb 1.57 -0.18 -0.04 0.00 -3.07 0.00 0.00 36.82 35.10 3g8r h ILE 30 CO 0.17 0.20 0.52 -0.09 -0.69 0.00 0.00 178.15 178.27 3g8r h ARG 31 N 1.12 1.04 -0.94 2.37 2.43 -0.71 -0.92 114.38 118.76 3g8r h ARG 31 Ca 0.45 -0.06 0.16 0.00 -0.81 0.00 0.00 59.98 59.72 3g8r h ARG 31 Cb 0.27 -0.23 -0.08 0.00 -0.42 0.00 0.00 29.97 29.50 3g8r h ARG 31 CO -0.20 0.69 0.60 0.93 -1.51 0.00 0.00 179.97 180.47 3g8r h GLU 32 N 1.07 0.68 -0.18 0.20 5.08 -0.89 -1.89 114.58 118.65 3g8r h GLU 32 Ca 0.29 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.50 3g8r h GLU 32 Cb -0.11 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 3g8r h GLU 32 CO -0.07 0.45 -0.37 0.77 -1.00 0.00 0.00 179.01 178.80 3g8r h SER 33 N 0.70 0.42 0.10 1.42 0.02 0.22 -2.86 113.55 113.56 3g8r h SER 33 Ca 0.50 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3g8r h SER 33 Cb 0.83 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.25 3g8r h SER 33 CO -0.26 0.75 0.00 0.00 -1.14 0.00 0.00 176.83 176.19 3g8r n GLN 35 N -1.10 2.43 0.00 0.00 -0.06 -1.08 -2.33 117.38 115.24 3g8r n GLN 35 Ca 0.10 0.88 0.00 0.00 -2.00 0.00 0.00 57.00 55.98 3g8r n GLN 35 Cb 0.08 -2.82 0.00 0.00 -4.06 0.00 0.00 30.24 23.44 3g8r n GLN 35 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3g8r n GLY 36 N 4.58 1.29 3.85 1.69 0.00 -1.26 -5.06 105.19 110.29 3g8r n GLY 36 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 3g8r n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g8r s PHE 37 N -2.34 3.58 -0.76 1.61 0.40 -0.98 -5.02 117.98 114.46 3g8r s PHE 37 Ca 0.00 0.96 0.03 0.00 -0.60 0.00 0.00 56.93 57.32 3g8r s PHE 37 Cb 0.00 -2.29 0.28 0.00 0.51 0.00 0.00 43.02 41.52 3g8r s PHE 37 CO 0.00 0.44 1.01 -3.47 0.70 0.00 0.00 175.22 173.90 3g8r n ASP 38 N 0.73 4.69 -4.18 1.36 4.64 -1.26 -4.97 116.55 117.56 3g8r n ASP 38 Ca -0.05 -3.48 -0.26 0.00 -1.38 0.00 0.00 54.79 49.62 3g8r n ASP 38 Cb 0.52 -0.84 -0.08 0.00 -1.04 0.00 0.00 41.12 39.68 3g8r n ASP 38 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 3g8r s PHE 39 N -2.75 1.80 0.28 -0.67 0.08 -1.26 -4.51 117.98 110.95 3g8r s PHE 39 Ca 0.38 -1.24 -0.03 0.00 0.12 0.00 0.00 56.93 56.17 3g8r s PHE 39 Cb 0.14 -1.19 -0.04 0.00 -0.57 0.00 0.00 43.02 41.35 3g8r s PHE 39 CO 0.00 -0.25 0.51 -0.51 -0.10 0.00 0.00 175.22 174.88 3g8r s ASP 40 N -3.61 6.39 -0.02 1.36 1.01 -0.26 -4.92 116.67 116.62 3g8r s ASP 40 Ca 0.24 0.57 -0.02 0.00 0.71 0.00 0.00 52.55 54.05 3g8r s ASP 40 Cb 0.03 -2.08 0.01 0.00 1.01 0.00 0.00 42.92 41.88 3g8r s ASP 40 CO 0.14 -0.19 0.06 -0.36 0.21 0.00 0.00 175.17 175.03 3g8r s PHE 41 N -2.10 -0.07 0.04 4.23 0.08 -1.26 -1.01 117.98 117.90 3g8r s PHE 41 Ca 0.42 0.17 0.03 0.00 0.12 0.00 0.00 56.93 57.67 3g8r s PHE 41 Cb -0.10 0.02 -0.02 0.00 -0.57 0.00 0.00 43.02 42.34 3g8r s PHE 41 CO 0.31 -0.04 -0.10 0.20 -0.10 0.00 0.00 175.22 175.49 3g8r s GLY 42 N 0.08 0.63 -0.06 4.36 0.00 0.80 -1.48 107.32 111.65 3g8r s GLY 42 Ca -0.00 -0.78 0.02 0.00 0.00 0.00 0.00 44.72 43.96 3g8r s GLY 42 CO -0.00 -0.80 -0.11 -0.12 0.00 0.00 0.00 173.10 172.06 3g8r s PHE 43 N -1.12 2.80 -0.06 1.90 5.36 0.21 -0.29 117.98 126.78 3g8r s PHE 43 Ca -0.04 -0.09 0.05 0.00 -0.96 0.00 0.00 56.93 55.89 3g8r s PHE 43 Cb -0.09 -1.67 -0.01 0.00 -0.34 0.00 0.00 43.02 40.92 3g8r s PHE 43 CO 0.01 0.24 -0.23 0.21 -1.46 0.00 0.00 175.22 173.99 3g8r s LYS 44 N -0.75 2.43 0.39 10.12 2.20 0.87 -0.84 119.74 134.16 3g8r s LYS 44 Ca 0.11 -0.82 0.08 0.00 -0.36 0.00 0.00 55.97 54.98 3g8r s LYS 44 Cb -0.11 -2.03 -0.03 0.00 -1.51 0.00 0.00 37.83 34.16 3g8r s LYS 44 CO 0.01 0.31 0.31 -0.51 -0.36 0.00 0.00 175.35 175.11 3g8r s LEU 45 N -0.03 3.39 -0.14 5.43 1.02 -0.77 -3.81 118.68 123.77 3g8r s LEU 45 Ca -0.06 -0.74 0.01 0.00 0.02 0.00 0.00 54.13 53.36 3g8r s LEU 45 Cb -0.14 -1.97 0.02 0.00 0.02 0.00 0.00 46.19 44.11 3g8r s LEU 45 CO 0.04 -0.54 -0.17 -1.10 0.02 0.00 0.00 176.35 174.60 3g8r s GLN 46 N -4.04 2.57 -0.25 1.70 -0.21 -1.26 -1.11 119.66 117.06 3g8r s GLN 46 Ca 0.45 -0.68 -0.07 0.00 0.02 0.00 0.00 55.36 55.08 3g8r s GLN 46 Cb -0.03 -2.21 -0.02 0.00 1.00 0.00 0.00 33.01 31.75 3g8r s GLN 46 CO 0.26 -0.13 0.05 0.71 -2.12 0.00 0.00 175.29 174.06 3g8r s TYR 47 N 1.15 3.06 -0.06 0.91 1.51 0.22 -4.94 117.35 119.22 3g8r s TYR 47 Ca -0.01 -0.52 0.03 0.00 -1.01 0.00 0.00 57.07 55.57 3g8r s TYR 47 Cb -0.14 -2.22 0.00 0.00 -0.11 0.00 0.00 41.96 39.50 3g8r s TYR 47 CO -0.07 -0.40 -0.16 1.03 -1.11 0.00 0.00 175.55 174.85 3g8r s ARG 48 N 1.59 1.84 -1.01 -0.62 0.52 -1.26 -0.92 118.95 119.09 3g8r s ARG 48 Ca 0.06 -0.56 -0.21 0.00 -0.52 0.00 0.00 55.73 54.51 3g8r s ARG 48 Cb -0.15 -1.54 0.08 0.00 0.52 0.00 0.00 34.95 33.86 3g8r s ARG 48 CO 0.02 0.16 1.36 1.21 0.02 0.00 0.00 175.30 178.07 3g8r s ASN 49 N 0.28 6.58 0.56 0.23 3.84 -1.26 -4.85 114.94 120.31 3g8r s ASN 49 Ca -0.09 -1.75 0.25 0.00 0.21 0.00 0.00 52.86 51.48 3g8r s ASN 49 Cb -0.13 -2.51 1.51 0.00 -0.55 0.00 0.00 41.25 39.57 3g8r s ASN 49 CO 0.03 -1.32 2.10 -0.07 -2.79 0.00 0.00 177.10 175.05 3g8r h LEU 50 N 11.91 0.00 0.11 3.21 4.07 -1.97 0.30 115.31 132.95 3g8r h LEU 50 Ca 0.20 0.00 0.02 0.00 0.08 0.00 0.00 57.88 58.18 3g8r h LEU 50 Cb 1.00 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.70 3g8r h LEU 50 CO 1.32 0.00 -0.30 0.44 -1.08 0.00 0.00 178.44 178.82 3g8r h ASP 51 N 0.00 -0.88 0.51 -0.43 3.32 -1.89 -2.90 116.42 114.16 3g8r h ASP 51 Ca 0.10 0.10 -0.30 0.00 0.02 0.00 0.00 57.03 56.96 3g8r h ASP 51 Cb 0.48 0.33 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3g8r h ASP 51 CO -0.00 -0.39 -1.39 0.71 -1.72 0.00 0.00 179.24 176.44 3g8r h THR 52 N -0.52 1.33 -0.14 0.35 1.35 -1.62 -3.40 112.91 110.25 3g8r h THR 52 Ca 0.03 -2.91 -0.20 0.00 -0.55 0.00 0.00 66.41 62.79 3g8r h THR 52 Cb 0.55 2.88 0.01 0.00 -1.73 0.00 0.00 68.15 69.87 3g8r h THR 52 CO -0.18 0.85 -0.69 0.15 -0.25 0.00 0.00 175.52 175.40 3g8r h PHE 53 N 0.08 0.95 -3.59 4.73 3.04 -0.50 -3.39 116.94 118.27 3g8r h PHE 53 Ca -0.20 -0.42 -0.63 0.00 3.98 0.00 0.00 57.97 60.70 3g8r h PHE 53 Cb 2.02 -0.15 -0.14 0.00 2.56 0.00 0.00 35.95 40.24 3g8r h PHE 53 CO 0.07 1.24 0.01 0.42 -2.02 0.00 0.00 178.31 178.03 3g8r s ILE 54 N -3.72 5.00 0.41 1.41 1.01 -1.09 -5.03 121.20 119.19 3g8r s ILE 54 Ca -0.11 0.56 -0.25 0.00 0.00 0.00 0.00 60.65 60.85 3g8r s ILE 54 Cb 0.08 -3.95 -0.08 0.00 0.01 0.00 0.00 42.46 38.51 3g8r s ILE 54 CO 0.88 -0.15 1.22 -2.28 0.00 0.00 0.00 174.94 174.62 3g8r s HIS 55 N 2.44 2.92 0.22 3.97 5.65 -1.26 -4.78 115.29 124.46 3g8r s HIS 55 Ca 0.21 1.49 -0.05 0.00 0.25 0.00 0.00 55.06 56.96 3g8r s HIS 55 Cb -0.15 -3.51 0.39 0.00 -1.18 0.00 0.00 32.58 28.12 3g8r s HIS 55 CO 0.12 -1.69 1.22 0.43 -0.65 0.00 0.00 174.74 174.17 3g8r n SER 56 N -0.01 -0.26 0.28 9.88 7.64 -1.26 0.18 113.62 130.06 3g8r n SER 56 Ca 0.05 1.34 0.13 0.00 1.01 0.00 0.00 58.87 61.40 3g8r n SER 56 Cb 0.45 -0.41 0.82 0.00 -1.01 0.00 0.00 64.21 64.06 3g8r n SER 56 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3g8r h SER 57 N 0.00 0.00 -0.01 6.43 4.64 -2.03 -2.34 113.55 120.23 3g8r h SER 57 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3g8r h SER 57 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3g8r h SER 57 CO -0.79 0.06 -0.27 0.49 -0.87 0.00 0.00 176.83 175.44 3g8r n PHE 58 N -3.82 0.00 -1.59 4.77 3.72 0.13 -4.96 117.46 115.71 3g8r n PHE 58 Ca -0.03 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.92 3g8r n PHE 58 Cb 0.15 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.67 3g8r n PHE 58 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3g8r n LYS 59 N 0.06 1.34 -0.97 -1.08 4.01 -0.82 -2.23 118.16 118.47 3g8r n LYS 59 Ca 0.07 0.47 0.00 0.00 -0.51 0.00 0.00 58.31 58.34 3g8r n LYS 59 Cb 0.35 -1.89 0.00 0.00 -0.51 0.00 0.00 35.03 32.98 3g8r n LYS 59 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3g8r n GLY 60 N 1.50 0.23 3.91 0.72 0.00 -1.26 -4.98 105.19 105.31 3g8r n GLY 60 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 3g8r n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g8r s ARG 61 N -1.09 3.28 -0.01 1.61 0.52 -0.95 -5.02 118.95 117.29 3g8r s ARG 61 Ca 0.00 -0.73 0.01 0.00 -0.52 0.00 0.00 55.73 54.49 3g8r s ARG 61 Cb 0.00 -2.84 0.01 0.00 0.52 0.00 0.00 34.95 32.64 3g8r s ARG 61 CO 0.00 0.48 0.74 -3.47 0.02 0.00 0.00 175.30 173.07 3g8r n ASP 62 N -0.74 0.25 -0.08 0.23 4.64 -1.26 -3.93 116.55 115.67 3g8r n ASP 62 Ca -0.08 -1.51 0.16 0.00 -1.38 0.00 0.00 54.79 51.98 3g8r n ASP 62 Cb 0.55 -0.09 0.88 0.00 -1.04 0.00 0.00 41.12 41.42 3g8r n ASP 62 CO 0.00 0.00 0.00 -0.90 -0.82 0.00 0.00 177.20 175.48 3g8r n ASP 63 N -0.10 0.24 -4.07 1.67 5.68 -1.26 -4.79 116.55 113.92 3g8r n ASP 63 Ca 0.01 -1.08 -0.08 0.00 -0.50 0.00 0.00 54.79 53.13 3g8r n ASP 63 Cb 0.56 -0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.43 3g8r n ASP 63 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3g8r s VAL 64 N -2.00 0.26 0.47 2.12 0.11 -1.26 -5.14 120.40 114.96 3g8r s VAL 64 Ca 0.46 -1.53 -0.23 0.00 -2.93 0.00 0.00 61.98 57.76 3g8r s VAL 64 Cb 0.22 -1.13 -0.07 0.00 -1.53 0.00 0.00 36.38 33.87 3g8r s VAL 64 CO 0.36 -0.81 1.20 -0.75 -3.33 0.00 0.00 175.10 171.78 3g8r s LYS 65 N -3.08 3.67 0.00 1.54 2.20 -1.26 -4.15 119.74 118.66 3g8r s LYS 65 Ca 0.00 1.87 0.00 0.00 -0.36 0.00 0.00 55.97 57.48 3g8r s LYS 65 Cb 0.02 -2.41 0.00 0.00 -1.51 0.00 0.00 37.83 33.93 3g8r s LYS 65 CO -0.06 -0.65 0.00 0.66 -0.36 0.00 0.00 175.35 174.94 3g8r n TYR 66 N -0.53 0.00 -0.18 4.03 4.01 -1.26 -4.82 117.16 118.41 3g8r n TYR 66 Ca 0.08 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.74 3g8r n TYR 66 Cb 0.47 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.48 3g8r n TYR 66 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3g8r h VAL 67 N 0.00 0.12 -0.34 -0.72 2.07 -1.86 0.11 116.25 115.63 3g8r h VAL 67 Ca 0.00 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 3g8r h VAL 67 Cb 0.00 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 3g8r h VAL 67 CO 0.00 0.00 -0.20 0.50 0.02 0.00 0.00 177.57 177.89 3g8r h LYS 68 N -0.23 0.74 -0.69 1.57 3.64 -1.84 -1.29 116.57 118.47 3g8r h LYS 68 Ca 0.19 -0.34 0.05 0.00 -1.27 0.00 0.00 60.65 59.28 3g8r h LYS 68 Cb 0.56 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.32 3g8r h LYS 68 CO -0.66 0.95 0.40 -0.09 -2.27 0.00 0.00 179.45 177.79 3g8r h ARG 69 N 0.51 0.73 -0.29 1.90 9.65 -1.83 -0.80 114.38 124.25 3g8r h ARG 69 Ca 0.07 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.88 3g8r h ARG 69 Cb 0.75 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 29.15 3g8r h ARG 69 CO 0.06 0.48 0.08 0.74 2.80 0.00 0.00 179.97 184.13 3g8r h PHE 70 N 0.75 0.47 -0.52 2.20 0.05 -0.41 -2.92 116.94 116.58 3g8r h PHE 70 Ca 0.30 -0.05 -0.04 0.00 3.82 0.00 0.00 57.97 62.00 3g8r h PHE 70 Cb 0.14 -0.13 -0.02 0.00 2.00 0.00 0.00 35.95 37.93 3g8r h PHE 70 CO -0.06 0.50 0.18 0.93 -0.18 0.00 0.00 178.31 179.68 3g8r h GLU 71 N 0.30 0.78 -0.15 1.51 5.08 -0.91 -3.01 114.58 118.18 3g8r h GLU 71 Ca 0.09 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3g8r h GLU 71 Cb 0.26 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3g8r h GLU 71 CO -0.00 0.71 -0.13 0.93 -1.00 0.00 0.00 179.01 179.51 3g8r h GLU 72 N 0.70 0.23 -0.59 2.33 5.08 -1.10 -3.01 114.58 118.21 3g8r h GLU 72 Ca 0.17 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3g8r h GLU 72 Cb 0.24 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3g8r h GLU 72 CO -0.01 0.37 0.00 0.25 -1.00 0.00 0.00 179.01 178.62 3g8r n THR 73 N -4.27 0.91 -1.51 1.13 -2.24 -1.11 -4.65 114.28 102.54 3g8r n THR 73 Ca -0.01 -0.96 -0.54 0.00 -2.27 0.00 0.00 64.05 60.28 3g8r n THR 73 Cb 0.27 0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 69.02 3g8r n THR 73 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3g8r n ARG 74 N 1.37 0.42 -4.45 -0.78 0.63 -1.14 -3.52 116.66 109.19 3g8r n ARG 74 Ca 0.21 0.15 -0.23 0.00 -0.92 0.00 0.00 57.85 57.06 3g8r n ARG 74 Cb 0.57 -1.57 -0.13 0.00 0.45 0.00 0.00 32.46 31.78 3g8r n ARG 74 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3g8r s LEU 75 N 0.80 2.19 0.24 6.15 1.43 -1.26 -4.77 118.68 123.47 3g8r s LEU 75 Ca 0.81 -0.53 -0.16 0.00 -1.03 0.00 0.00 54.13 53.22 3g8r s LEU 75 Cb -1.06 -0.79 -0.08 0.00 0.03 0.00 0.00 46.19 44.28 3g8r s LEU 75 CO 0.54 0.08 0.67 -1.10 0.23 0.00 0.00 176.35 176.78 3g8r s GLN 76 N -1.30 4.06 0.40 1.70 -1.52 -1.26 -4.95 119.66 116.79 3g8r s GLN 76 Ca 0.04 0.66 0.25 0.00 -1.95 0.00 0.00 55.36 54.36 3g8r s GLN 76 Cb -0.09 -2.71 1.35 0.00 -0.22 0.00 0.00 33.01 31.34 3g8r s GLN 76 CO 0.02 0.32 1.61 -1.35 -0.25 0.00 0.00 175.29 175.64 3g8r h PRO 77 N 2.94 0.10 -0.11 2.91 0.11 -2.01 0.60 132.00 136.54 3g8r h PRO 77 Ca -0.48 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.67 3g8r h PRO 77 Cb 1.18 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.22 3g8r h PRO 77 CO 0.66 0.06 -0.25 1.49 -0.21 0.00 0.00 178.00 179.75 3g8r h GLU 78 N 0.10 -0.32 -1.58 1.05 4.81 -2.06 -1.22 114.58 115.37 3g8r h GLU 78 Ca 0.82 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 60.07 3g8r h GLU 78 Cb 2.33 0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.78 3g8r h GLU 78 CO -0.56 -0.21 0.00 1.04 -0.73 0.00 0.00 179.01 178.55 3g8r n GLN 79 N -5.37 0.66 0.00 1.92 6.02 0.21 -2.58 117.38 118.24 3g8r n GLN 79 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 3g8r n GLN 79 Cb 0.29 -1.17 0.00 0.00 1.02 0.00 0.00 30.24 30.37 3g8r n GLN 79 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 3g8r n GLN 81 N 1.03 0.00 -0.25 -1.09 -0.06 -0.46 -2.13 117.38 114.42 3g8r n GLN 81 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 57.00 54.94 3g8r n GLN 81 Cb 0.33 0.00 0.07 0.00 -4.06 0.00 0.00 30.24 26.58 3g8r n GLN 81 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 3g8r h LYS 82 N 0.00 1.11 -0.21 3.69 3.11 -1.75 -1.93 116.57 120.59 3g8r h LYS 82 Ca 0.00 -0.25 -0.11 0.00 -2.81 0.00 0.00 60.65 57.48 3g8r h LYS 82 Cb 0.00 -0.15 -0.00 0.00 -1.00 0.00 0.00 32.23 31.08 3g8r h LYS 82 CO 0.00 0.97 -0.31 -0.07 -2.81 0.00 0.00 179.45 177.23 3g8r h LEU 83 N 1.06 0.63 -1.00 5.20 3.38 -1.75 -1.74 115.31 121.10 3g8r h LEU 83 Ca 0.22 -0.52 0.17 0.00 0.09 0.00 0.00 57.88 57.85 3g8r h LEU 83 Cb 0.34 -0.18 -0.10 0.00 0.09 0.00 0.00 40.66 40.81 3g8r h LEU 83 CO -0.00 1.02 0.60 0.58 0.09 0.00 0.00 178.44 180.74 3g8r h VAL 84 N 0.25 0.75 0.29 1.22 2.07 -1.84 -2.36 116.25 116.63 3g8r h VAL 84 Ca 0.02 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3g8r h VAL 84 Cb 0.89 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3g8r h VAL 84 CO 0.07 0.15 -0.24 0.00 0.02 0.00 0.00 177.57 177.57 3g8r h ALA 85 N 1.62 -0.52 0.00 1.67 0.00 -0.50 -0.68 119.26 120.85 3g8r h ALA 85 Ca 0.56 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3g8r h ALA 85 Cb 0.81 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3g8r h ALA 85 CO -0.36 -0.82 0.00 0.39 0.00 0.00 0.00 179.25 178.46 3g8r n GLU 86 N -5.36 0.00 0.00 0.00 -0.58 -0.89 -0.52 120.64 113.29 3g8r n GLU 86 Ca -0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 3g8r n GLU 86 Cb 0.27 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 3g8r n GLU 86 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3g8r n LYS 88 N 1.27 0.00 -0.34 3.49 5.02 -0.26 -1.04 118.16 126.30 3g8r n LYS 88 Ca 0.00 0.00 0.21 0.00 -2.02 0.00 0.00 58.31 56.50 3g8r n LYS 88 Cb 0.00 0.00 0.44 0.00 -0.02 0.00 0.00 35.03 35.45 3g8r n LYS 88 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g8r h ALA 89 N 0.00 1.94 -0.00 7.82 0.00 -1.03 -0.26 119.26 127.73 3g8r h ALA 89 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3g8r h ALA 89 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3g8r h ALA 89 CO 0.00 -0.45 -0.35 0.09 0.00 0.00 0.00 179.25 178.55 3g8r n ASN 90 N -4.89 0.77 0.00 0.00 3.02 -0.20 -4.93 115.26 109.04 3g8r n ASN 90 Ca 0.28 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 54.24 3g8r n ASN 90 Cb 0.86 0.17 0.00 0.00 -0.61 0.00 0.00 39.78 40.19 3g8r n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g8r n GLY 91 N 1.40 1.47 3.79 7.41 0.00 -0.11 -5.07 105.19 114.09 3g8r n GLY 91 Ca 0.09 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 3g8r n GLY 91 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g8r s PHE 92 N -2.00 3.57 -0.06 1.61 0.08 -1.26 -4.81 117.98 115.12 3g8r s PHE 92 Ca 0.00 0.71 -0.37 0.00 0.12 0.00 0.00 56.93 57.39 3g8r s PHE 92 Cb 0.00 -2.25 -0.15 0.00 -0.57 0.00 0.00 43.02 40.05 3g8r s PHE 92 CO 0.00 0.46 1.64 1.63 -0.10 0.00 0.00 175.22 178.85 3g8r n LYS 93 N 2.73 1.58 -2.67 0.44 5.02 -0.55 -4.04 118.16 120.67 3g8r n LYS 93 Ca -0.14 0.57 -0.43 0.00 -2.02 0.00 0.00 58.31 56.30 3g8r n LYS 93 Cb 0.53 -2.30 -0.02 0.00 -0.02 0.00 0.00 35.03 33.21 3g8r n LYS 93 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g8r s ALA 94 N 2.39 3.52 0.01 7.82 0.00 -1.26 -0.62 121.76 133.62 3g8r s ALA 94 Ca 0.90 -0.07 0.06 0.00 0.00 0.00 0.00 51.96 52.85 3g8r s ALA 94 Cb -0.88 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 18.59 3g8r s ALA 94 CO 0.52 -1.42 -0.20 0.42 0.00 0.00 0.00 175.76 175.09 3g8r s ILE 95 N 3.55 1.56 -0.04 0.00 1.01 -0.02 -1.82 121.20 125.44 3g8r s ILE 95 Ca 0.44 -1.00 -0.08 0.00 0.00 0.00 0.00 60.65 60.01 3g8r s ILE 95 Cb -0.13 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 41.03 3g8r s ILE 95 CO 0.14 0.30 0.18 0.00 0.00 0.00 0.00 174.94 175.57 3g8r s THR 97 N -0.65 4.07 0.39 0.00 2.01 -0.27 -0.81 115.64 120.39 3g8r s THR 97 Ca -0.07 -1.10 -0.17 0.00 0.31 0.00 0.00 61.69 60.66 3g8r s THR 97 Cb -0.04 -3.33 -0.09 0.00 0.01 0.00 0.00 72.50 69.04 3g8r s THR 97 CO 0.01 -0.25 0.84 -2.16 -0.69 0.00 0.00 174.62 172.37 3g8r s PRO 98 N 1.45 4.04 -0.00 4.92 0.04 -1.26 0.71 135.00 144.91 3g8r s PRO 98 Ca 0.00 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.87 3g8r s PRO 98 Cb -0.20 -2.31 -0.00 0.00 0.04 0.00 0.00 34.50 32.03 3g8r s PRO 98 CO 0.04 0.02 0.00 1.19 0.04 0.00 0.00 177.00 178.29 3g8r n PHE 99 N -0.71 0.00 -4.26 0.56 3.72 -0.09 -4.79 117.46 111.89 3g8r n PHE 99 Ca 0.05 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.21 3g8r n PHE 99 Cb 0.54 -0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.01 3g8r n PHE 99 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3g8r s ASP 100 N -1.41 4.68 0.08 4.37 1.11 -1.26 -5.00 116.67 119.24 3g8r s ASP 100 Ca 0.00 -0.56 -0.22 0.00 0.18 0.00 0.00 52.55 51.95 3g8r s ASP 100 Cb 0.00 -0.93 -0.12 0.00 1.07 0.00 0.00 42.92 42.94 3g8r s ASP 100 CO 0.00 0.01 1.60 1.05 1.18 0.00 0.00 175.17 179.02 3g8r h GLU 101 N 2.00 0.18 -0.33 8.23 9.09 -1.93 -2.67 114.58 129.15 3g8r h GLU 101 Ca -0.45 -0.04 0.10 0.00 0.05 0.00 0.00 59.36 59.02 3g8r h GLU 101 Cb 1.24 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 28.30 3g8r h GLU 101 CO 0.60 0.30 0.31 1.49 0.05 0.00 0.00 179.01 181.75 3g8r h GLU 102 N 0.03 0.00 0.00 1.06 4.81 -2.00 0.76 114.58 119.24 3g8r h GLU 102 Ca 0.04 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.11 3g8r h GLU 102 Cb 0.19 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3g8r h GLU 102 CO -0.00 0.00 -0.75 0.77 -0.73 0.00 0.00 179.01 178.30 3g8r h SER 103 N 0.00 0.00 -0.31 1.04 0.02 -1.82 -2.10 113.55 110.38 3g8r h SER 103 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3g8r h SER 103 Cb 0.77 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 3g8r h SER 103 CO -0.00 0.75 0.20 0.58 -1.14 0.00 0.00 176.83 177.22 3g8r h VAL 104 N 0.00 1.09 -0.43 2.27 2.07 -0.70 0.24 116.25 120.78 3g8r h VAL 104 Ca -0.01 -0.18 0.08 0.00 0.82 0.00 0.00 66.70 67.42 3g8r h VAL 104 Cb 1.44 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 31.79 3g8r h VAL 104 CO 0.10 0.09 -0.03 0.44 0.02 0.00 0.00 177.57 178.19 3g8r h ASP 105 N 0.41 -0.23 -0.19 0.57 3.32 -1.21 -1.45 116.42 117.64 3g8r h ASP 105 Ca 0.11 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 3g8r h ASP 105 Cb -0.03 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3g8r h ASP 105 CO -0.02 -0.08 0.11 0.25 -1.72 0.00 0.00 179.24 177.78 3g8r h LEU 106 N 0.08 0.23 -1.00 1.55 6.46 -1.09 -1.74 115.31 119.79 3g8r h LEU 106 Ca 0.21 -0.06 0.23 0.00 -0.12 0.00 0.00 57.88 58.15 3g8r h LEU 106 Cb 0.32 -0.06 -0.12 0.00 -0.73 0.00 0.00 40.66 40.07 3g8r h LEU 106 CO -0.38 0.22 0.60 0.40 -0.62 0.00 0.00 178.44 178.66 3g8r h ILE 107 N 0.21 0.58 0.21 4.05 2.04 0.44 -1.32 117.51 123.72 3g8r h ILE 107 Ca 0.07 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 3g8r h ILE 107 Cb 0.04 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.02 3g8r h ILE 107 CO -0.01 0.11 -0.10 -0.33 0.00 0.00 0.00 178.15 177.82 3g8r h GLU 108 N 0.63 -0.27 -0.87 2.37 4.39 -0.42 -2.89 114.58 117.52 3g8r h GLU 108 Ca 0.63 0.02 0.16 0.00 0.34 0.00 0.00 59.36 60.51 3g8r h GLU 108 Cb 1.15 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.79 3g8r h GLU 108 CO -0.45 -0.14 0.57 0.00 -1.16 0.00 0.00 179.01 177.83 3g8r h ALA 109 N 0.46 2.00 -0.00 3.43 0.00 -0.83 -0.84 119.26 123.48 3g8r h ALA 109 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3g8r h ALA 109 Cb 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3g8r h ALA 109 CO 0.05 -0.25 -0.09 0.72 0.00 0.00 0.00 179.25 179.67 3g8r n HIS 110 N -4.54 0.00 -3.43 0.00 8.25 -0.72 -4.91 115.22 109.87 3g8r n HIS 110 Ca 0.18 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.41 3g8r n HIS 110 Cb 0.56 -0.30 0.07 0.00 1.12 0.00 0.00 29.99 31.43 3g8r n HIS 110 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3g8r n GLY 111 N 1.36 -0.50 3.77 -1.41 0.00 -0.32 -4.98 105.19 103.11 3g8r n GLY 111 Ca 0.12 0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.93 3g8r n GLY 111 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g8r s ILE 112 N -3.28 3.02 0.06 -0.61 1.01 -1.11 -4.97 121.20 115.32 3g8r s ILE 112 Ca 0.51 1.01 0.07 0.00 0.00 0.00 0.00 60.65 62.25 3g8r s ILE 112 Cb -0.22 -3.64 -0.23 0.00 0.01 0.00 0.00 42.46 38.38 3g8r s ILE 112 CO 0.63 0.23 1.04 -0.33 0.00 0.00 0.00 174.94 176.52 3g8r h GLU 113 N 3.48 0.03 -4.11 2.79 5.08 -1.71 -3.47 114.58 116.67 3g8r h GLU 113 Ca -0.48 -0.06 -0.20 0.00 -1.00 0.00 0.00 59.36 57.63 3g8r h GLU 113 Cb 1.22 0.02 -0.21 0.00 0.50 0.00 0.00 28.75 30.28 3g8r h GLU 113 CO 0.66 0.86 -0.71 0.42 -1.00 0.00 0.00 179.01 179.24 3g8r s ILE 114 N -2.66 0.21 -0.28 3.13 1.01 -1.16 -4.30 121.20 117.15 3g8r s ILE 114 Ca -0.02 -0.93 -0.06 0.00 0.00 0.00 0.00 60.65 59.65 3g8r s ILE 114 Cb 0.09 -0.34 0.01 0.00 0.01 0.00 0.00 42.46 42.23 3g8r s ILE 114 CO 0.83 -0.46 0.04 -0.63 0.00 0.00 0.00 174.94 174.72 3g8r s ILE 115 N -1.40 3.71 0.03 2.92 1.01 -0.95 -1.80 121.20 124.72 3g8r s ILE 115 Ca -0.14 -0.75 -0.22 0.00 0.00 0.00 0.00 60.65 59.54 3g8r s ILE 115 Cb -0.10 -2.90 -0.06 0.00 0.01 0.00 0.00 42.46 39.42 3g8r s ILE 115 CO -0.01 0.12 0.64 -0.75 0.00 0.00 0.00 174.94 174.95 3g8r s LYS 116 N 1.46 4.35 -0.25 2.79 2.36 0.01 -1.12 119.74 129.35 3g8r s LYS 116 Ca 0.02 0.84 -0.14 0.00 -2.55 0.00 0.00 55.97 54.14 3g8r s LYS 116 Cb -0.17 -3.32 -0.04 0.00 -1.05 0.00 0.00 37.83 33.25 3g8r s LYS 116 CO 0.01 0.41 0.31 0.42 1.55 0.00 0.00 175.35 178.05 3g8r s ILE 117 N -0.40 5.24 0.74 5.43 1.01 0.28 -4.10 121.20 129.40 3g8r s ILE 117 Ca 0.33 0.45 -0.12 0.00 0.00 0.00 0.00 60.65 61.31 3g8r s ILE 117 Cb -0.19 -3.64 0.04 0.00 0.01 0.00 0.00 42.46 38.68 3g8r s ILE 117 CO 0.19 0.23 1.11 0.00 0.00 0.00 0.00 174.94 176.47 3g8r s ALA 118 N 1.69 2.25 0.45 9.38 0.00 -1.26 -1.23 121.76 133.04 3g8r s ALA 118 Ca 0.13 0.43 0.21 0.00 0.00 0.00 0.00 51.96 52.73 3g8r s ALA 118 Cb -0.15 -3.32 1.25 0.00 0.00 0.00 0.00 23.12 20.90 3g8r s ALA 118 CO 0.09 -1.69 2.05 0.77 0.00 0.00 0.00 175.76 176.98 3g8r h SER 119 N -0.73 0.00 0.24 0.00 0.02 -1.93 -1.12 113.55 110.02 3g8r h SER 119 Ca -0.45 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.30 3g8r h SER 119 Cb 1.24 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 3g8r h SER 119 CO 0.51 0.14 -0.78 0.00 -1.14 0.00 0.00 176.83 175.57 3g8r n SER 121 N -3.83 1.71 -0.29 0.00 7.64 -0.86 -4.39 113.62 113.61 3g8r n SER 121 Ca -0.05 -1.69 0.06 0.00 1.01 0.00 0.00 58.87 58.20 3g8r n SER 121 Cb 0.74 -0.09 0.21 0.00 -1.01 0.00 0.00 64.21 64.06 3g8r n SER 121 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3g8r h PHE 122 N 2.33 0.75 -0.47 1.43 3.04 -0.93 -1.29 116.94 121.80 3g8r h PHE 122 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 3g8r h PHE 122 Cb 0.51 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.81 3g8r h PHE 122 CO 0.09 0.19 0.00 0.25 -2.02 0.00 0.00 178.31 176.83 3g8r n THR 123 N -4.86 1.69 -1.76 4.41 -2.24 -1.26 -4.80 114.28 105.45 3g8r n THR 123 Ca 0.16 -1.30 -0.36 0.00 -2.27 0.00 0.00 64.05 60.28 3g8r n THR 123 Cb 0.41 0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.74 3g8r n THR 123 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3g8r n ASP 124 N 0.57 3.12 -0.22 3.42 -0.08 -0.49 -4.80 116.55 118.08 3g8r n ASP 124 Ca 0.21 -2.72 0.01 0.00 -1.51 0.00 0.00 54.79 50.77 3g8r n ASP 124 Cb 0.75 -1.51 0.09 0.00 2.34 0.00 0.00 41.12 42.80 3g8r n ASP 124 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 3g8r h TRP 125 N 8.58 -0.17 -0.87 -0.67 4.06 -1.87 0.44 115.95 125.45 3g8r h TRP 125 Ca 0.34 0.05 0.09 0.00 2.06 0.00 0.00 58.89 61.43 3g8r h TRP 125 Cb 0.81 0.18 -0.06 0.00 -1.00 0.00 0.00 29.16 29.09 3g8r h TRP 125 CO 1.26 -0.23 0.56 -1.35 -3.56 0.00 0.00 178.44 175.13 3g8r h PRO 126 N 0.06 0.87 -0.39 0.49 0.11 -1.98 0.68 132.00 131.84 3g8r h PRO 126 Ca 0.33 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.29 3g8r h PRO 126 Cb 0.53 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 3g8r h PRO 126 CO -0.60 0.57 -0.16 1.25 -0.21 0.00 0.00 178.00 178.85 3g8r h LEU 127 N 0.89 0.71 -0.32 2.35 5.85 -0.55 -2.38 115.31 121.87 3g8r h LEU 127 Ca 0.39 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 3g8r h LEU 127 Cb 0.35 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3g8r h LEU 127 CO -0.16 0.88 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.70 3g8r h LEU 128 N 0.64 0.59 -0.48 2.25 3.38 -0.24 -1.79 115.31 119.66 3g8r h LEU 128 Ca 0.10 -0.35 0.09 0.00 0.09 0.00 0.00 57.88 57.82 3g8r h LEU 128 Cb 0.63 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.14 3g8r h LEU 128 CO 0.04 0.80 -0.01 -0.33 0.09 0.00 0.00 178.44 179.03 3g8r h GLU 129 N 0.37 0.10 -0.43 1.13 5.08 -0.79 0.27 114.58 120.32 3g8r h GLU 129 Ca 0.08 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3g8r h GLU 129 Cb 0.52 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 3g8r h GLU 129 CO 0.03 0.07 0.26 -0.09 -1.00 0.00 0.00 179.01 178.28 3g8r h ARG 130 N 0.10 0.57 -0.03 2.33 1.12 -1.12 -2.49 114.38 114.85 3g8r h ARG 130 Ca 0.24 -0.04 -0.24 0.00 -1.11 0.00 0.00 59.98 58.83 3g8r h ARG 130 Cb 0.36 -0.12 0.02 0.00 -0.01 0.00 0.00 29.97 30.21 3g8r h ARG 130 CO -0.41 0.40 -0.90 0.82 -3.11 0.00 0.00 179.97 176.77 3g8r h ILE 131 N 0.58 1.30 -0.91 1.20 2.04 -0.30 -3.25 117.51 118.18 3g8r h ILE 131 Ca 0.16 -2.15 0.05 0.00 1.00 0.00 0.00 64.86 63.91 3g8r h ILE 131 Cb -0.03 2.33 -0.05 0.00 -0.74 0.00 0.00 36.82 38.33 3g8r h ILE 131 CO -0.03 0.66 0.59 0.00 0.00 0.00 0.00 178.15 179.37 3g8r h ALA 132 N 0.42 1.46 0.00 1.87 0.00 -0.10 0.10 119.26 123.01 3g8r h ALA 132 Ca -0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3g8r h ALA 132 Cb 1.56 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3g8r h ALA 132 CO 0.18 0.43 0.00 2.89 0.00 0.00 0.00 179.25 182.75 3g8r n ARG 133 N -4.46 0.86 -3.18 0.00 1.85 -0.99 -4.74 116.66 105.99 3g8r n ARG 133 Ca 0.13 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.77 3g8r n ARG 133 Cb 0.14 -1.27 0.05 0.00 -1.05 0.00 0.00 32.46 30.33 3g8r n ARG 133 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3g8r s SER 134 N -0.51 5.05 -0.10 2.89 0.15 0.35 -5.06 113.70 116.47 3g8r s SER 134 Ca 0.00 -0.89 0.19 0.00 0.70 0.00 0.00 55.95 55.95 3g8r s SER 134 Cb 0.00 0.26 0.42 0.00 -1.71 0.00 0.00 66.02 65.00 3g8r s SER 134 CO 0.00 -1.27 1.19 0.47 1.20 0.00 0.00 173.24 174.84 3g8r n ASP 135 N -2.14 1.32 -4.69 5.45 8.00 -1.26 -5.06 116.55 118.17 3g8r n ASP 135 Ca 0.12 -2.87 -0.27 0.00 0.71 0.00 0.00 54.79 52.49 3g8r n ASP 135 Cb 0.62 -0.40 -0.07 0.00 -0.02 0.00 0.00 41.12 41.24 3g8r n ASP 135 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3g8r s LYS 136 N -1.47 2.51 0.77 -1.24 1.02 -1.26 -5.09 119.74 114.97 3g8r s LYS 136 Ca 0.36 -1.03 -0.15 0.00 0.02 0.00 0.00 55.97 55.16 3g8r s LYS 136 Cb 0.38 -2.43 0.00 0.00 -0.52 0.00 0.00 37.83 35.26 3g8r s LYS 136 CO -0.12 0.47 0.73 -2.30 -0.92 0.00 0.00 175.35 173.21 3g8r n PRO 137 N -0.09 0.25 -4.56 -1.68 -0.02 -1.26 -4.82 135.00 122.82 3g8r n PRO 137 Ca -0.10 0.14 -0.21 0.00 -2.02 0.00 0.00 63.50 61.31 3g8r n PRO 137 Cb 0.55 -2.03 -0.15 0.00 -0.02 0.00 0.00 33.50 31.84 3g8r n PRO 137 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3g8r s VAL 138 N -1.99 0.98 -0.16 -1.45 1.01 0.04 -2.24 120.40 116.60 3g8r s VAL 138 Ca 0.68 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.13 3g8r s VAL 138 Cb -0.32 -0.82 0.03 0.00 0.00 0.00 0.00 36.38 35.27 3g8r s VAL 138 CO 0.56 0.28 -0.10 -0.69 0.00 0.00 0.00 175.10 175.15 3g8r s VAL 139 N -0.27 1.37 -0.08 2.92 1.01 -0.27 -0.35 120.40 124.72 3g8r s VAL 139 Ca 0.04 -0.64 0.05 0.00 0.00 0.00 0.00 61.98 61.43 3g8r s VAL 139 Cb -0.05 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 3g8r s VAL 139 CO -0.00 0.30 -0.24 0.00 0.00 0.00 0.00 175.10 175.16 3g8r s ALA 140 N 1.55 2.18 0.09 5.51 0.00 0.30 1.00 121.76 132.39 3g8r s ALA 140 Ca 0.03 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.00 3g8r s ALA 140 Cb -0.14 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 3g8r s ALA 140 CO -0.09 0.35 0.16 -1.12 0.00 0.00 0.00 175.76 175.06 3g8r s SER 141 N 0.11 5.95 -0.03 0.00 0.01 -0.37 -4.39 113.70 114.98 3g8r s SER 141 Ca -0.12 0.10 0.04 0.00 1.31 0.00 0.00 55.95 57.28 3g8r s SER 141 Cb -0.16 -1.71 0.06 0.00 0.21 0.00 0.00 66.02 64.41 3g8r s SER 141 CO 0.06 0.14 0.91 1.07 0.41 0.00 0.00 173.24 175.83 3g8r n THR 142 N 0.14 0.83 -1.67 1.44 5.66 -1.26 -3.87 114.28 115.55 3g8r n THR 142 Ca -0.07 -0.90 -0.63 0.00 -3.05 0.00 0.00 64.05 59.40 3g8r n THR 142 Cb 0.52 0.48 -0.09 0.00 -1.55 0.00 0.00 70.33 69.69 3g8r n THR 142 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3g8r n ALA 143 N -0.51 -1.69 -2.06 1.79 0.00 -1.23 -0.39 120.51 116.42 3g8r n ALA 143 Ca 0.03 0.51 -0.17 0.00 0.00 0.00 0.00 53.44 53.81 3g8r n ALA 143 Cb 0.43 -1.94 -0.03 0.00 0.00 0.00 0.00 19.45 17.91 3g8r n ALA 143 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g8r n GLY 144 N 3.34 0.30 3.76 0.00 0.00 -1.26 -4.91 105.19 106.42 3g8r n GLY 144 Ca 0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 3g8r n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g8r s ALA 145 N -2.66 3.41 0.56 4.61 0.00 0.47 -5.05 121.76 123.11 3g8r s ALA 145 Ca 0.00 0.32 -0.20 0.00 0.00 0.00 0.00 51.96 52.09 3g8r s ALA 145 Cb 0.00 -2.97 -0.05 0.00 0.00 0.00 0.00 23.12 20.10 3g8r s ALA 145 CO 0.00 0.19 1.21 1.03 0.00 0.00 0.00 175.76 178.19 3g8r s ARG 146 N -0.64 3.15 0.15 0.00 0.52 -1.26 -4.91 118.95 115.96 3g8r s ARG 146 Ca 0.37 1.84 -0.21 0.00 -0.52 0.00 0.00 55.73 57.21 3g8r s ARG 146 Cb -0.22 -2.04 0.03 0.00 0.52 0.00 0.00 34.95 33.24 3g8r s ARG 146 CO 0.25 -1.07 1.66 -0.09 0.02 0.00 0.00 175.30 176.07 3g8r h ARG 147 N 1.15 -0.14 -0.89 3.54 2.43 -1.99 -1.66 114.38 116.82 3g8r h ARG 147 Ca -0.50 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 58.83 3g8r h ARG 147 Cb 1.29 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.80 3g8r h ARG 147 CO 0.56 -0.10 0.57 1.05 -1.51 0.00 0.00 179.97 180.55 3g8r h GLU 148 N -0.15 0.62 -0.19 0.20 9.09 -1.98 0.18 114.58 122.35 3g8r h GLU 148 Ca 0.14 -0.04 -0.20 0.00 0.05 0.00 0.00 59.36 59.32 3g8r h GLU 148 Cb 0.36 -0.14 0.00 0.00 -1.65 0.00 0.00 28.75 27.32 3g8r h GLU 148 CO -0.34 0.41 -0.66 -0.44 0.05 0.00 0.00 179.01 178.03 3g8r h ASP 149 N 0.64 0.82 -0.04 3.06 3.32 -1.79 -0.91 116.42 121.52 3g8r h ASP 149 Ca 0.45 -0.49 -0.25 0.00 0.02 0.00 0.00 57.03 56.75 3g8r h ASP 149 Cb 0.79 -0.24 0.02 0.00 0.22 0.00 0.00 39.33 40.12 3g8r h ASP 149 CO -0.20 1.27 -0.96 0.40 -1.72 0.00 0.00 179.24 178.02 3g8r h ILE 150 N 0.52 1.28 -0.38 0.35 2.04 -0.51 0.14 117.51 120.96 3g8r h ILE 150 Ca -0.02 -2.16 0.08 0.00 1.00 0.00 0.00 64.86 63.76 3g8r h ILE 150 Cb 1.26 2.26 -0.08 0.00 -0.74 0.00 0.00 36.82 39.51 3g8r h ILE 150 CO 0.13 0.68 -0.20 0.44 0.00 0.00 0.00 178.15 179.19 3g8r h ASP 151 N 0.44 -0.69 0.00 1.72 5.19 -0.74 0.54 116.42 122.89 3g8r h ASP 151 Ca -0.11 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 3g8r h ASP 151 Cb 1.61 0.36 -0.00 0.00 0.18 0.00 0.00 39.33 41.48 3g8r h ASP 151 CO 0.19 -0.24 -0.01 0.11 -3.12 0.00 0.00 179.24 176.17 3g8r h LYS 152 N -0.14 -0.02 -0.47 3.56 1.57 -0.60 -0.82 116.57 119.65 3g8r h LYS 152 Ca 0.19 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 3g8r h LYS 152 Cb 0.43 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 3g8r h LYS 152 CO -0.47 -0.02 0.20 0.28 -0.57 0.00 0.00 179.45 178.88 3g8r h VAL 153 N -0.02 1.20 0.61 0.50 2.07 -0.80 0.10 116.25 119.91 3g8r h VAL 153 Ca 0.00 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 3g8r h VAL 153 Cb 0.03 0.72 0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3g8r h VAL 153 CO -0.01 0.22 -0.29 0.58 0.02 0.00 0.00 177.57 178.09 3g8r h VAL 154 N 0.61 0.00 -0.84 2.57 2.07 0.26 -3.11 116.25 117.81 3g8r h VAL 154 Ca 0.16 -0.03 0.17 0.00 0.82 0.00 0.00 66.70 67.82 3g8r h VAL 154 Cb 0.16 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.77 3g8r h VAL 154 CO -0.02 0.00 -0.22 -1.28 0.02 0.00 0.00 177.57 176.08 3g8r h SER 155 N -0.85 -0.80 0.00 0.57 0.87 -1.09 0.16 113.55 112.41 3g8r h SER 155 Ca -0.08 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 3g8r h SER 155 Cb 0.63 0.53 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 3g8r h SER 155 CO 0.14 -0.28 0.00 0.33 -0.53 0.00 0.00 176.83 176.49 3g8r n PHE 156 N -5.54 0.00 0.00 2.24 -0.00 0.35 -0.90 117.46 113.61 3g8r n PHE 156 Ca 0.12 -0.04 0.00 0.00 -0.00 0.00 0.00 57.45 57.53 3g8r n PHE 156 Cb 0.42 -0.06 0.00 0.00 -0.00 0.00 0.00 39.48 39.84 3g8r n PHE 156 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3g8r n LEU 158 N 0.47 0.00 -4.69 -2.13 4.77 0.55 -4.47 117.00 111.50 3g8r n LEU 158 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 3g8r n LEU 158 Cb 0.10 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 3g8r n LEU 158 CO 0.00 0.00 0.72 -2.28 -1.33 0.00 0.00 177.39 174.50 3g8r s HIS 159 N 0.00 3.53 0.00 -1.77 2.46 -0.08 -1.71 115.29 117.72 3g8r s HIS 159 Ca 0.00 1.53 0.00 0.00 0.47 0.00 0.00 55.06 57.06 3g8r s HIS 159 Cb 0.00 -3.12 0.00 0.00 -0.13 0.00 0.00 32.58 29.33 3g8r s HIS 159 CO 0.00 -0.17 0.00 2.89 -2.47 0.00 0.00 174.74 174.99 3g8r n ARG 160 N 4.78 0.00 -1.63 2.88 1.85 -1.26 -4.79 116.66 118.49 3g8r n ARG 160 Ca 0.07 0.29 -0.14 0.00 -1.00 0.00 0.00 57.85 57.07 3g8r n ARG 160 Cb 0.49 -2.61 -0.05 0.00 -1.05 0.00 0.00 32.46 29.25 3g8r n ARG 160 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3g8r n GLY 161 N -2.68 1.02 3.78 2.89 0.00 -0.69 -4.97 105.19 104.55 3g8r n GLY 161 Ca 0.00 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 3g8r n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g8r s LYS 162 N -3.58 4.03 -0.63 1.61 3.01 -1.26 -5.00 119.74 117.92 3g8r s LYS 162 Ca 0.00 1.58 -0.27 0.00 -1.01 0.00 0.00 55.97 56.27 3g8r s LYS 162 Cb 0.00 -2.48 0.03 0.00 -1.01 0.00 0.00 37.83 34.38 3g8r s LYS 162 CO 0.00 -0.28 1.18 0.34 0.51 0.00 0.00 175.35 177.10 3g8r s ASP 163 N -1.53 6.34 0.09 2.83 -1.08 -1.26 -4.75 116.67 117.32 3g8r s ASP 163 Ca 0.60 -0.16 0.05 0.00 -0.52 0.00 0.00 52.55 52.52 3g8r s ASP 163 Cb -0.24 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.65 3g8r s ASP 163 CO 0.29 -1.56 -0.01 -0.22 0.52 0.00 0.00 175.17 174.20 3g8r s LEU 164 N 5.03 3.44 -0.02 -1.34 2.96 -1.26 -0.78 118.68 126.70 3g8r s LEU 164 Ca 0.38 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 54.10 3g8r s LEU 164 Cb -0.09 -2.17 0.02 0.00 0.50 0.00 0.00 46.19 44.45 3g8r s LEU 164 CO 0.21 0.17 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.51 3g8r s THR 165 N -1.32 0.22 0.41 3.68 2.01 0.53 -2.98 115.64 118.18 3g8r s THR 165 Ca 0.26 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.28 3g8r s THR 165 Cb -0.12 -0.28 0.01 0.00 0.01 0.00 0.00 72.50 72.12 3g8r s THR 165 CO 0.18 0.13 0.08 -0.38 -0.69 0.00 0.00 174.62 173.94 3g8r n ILE 166 N 3.85 0.00 -5.30 1.82 5.41 -0.27 -0.54 119.36 124.34 3g8r n ILE 166 Ca -0.24 -1.84 -0.31 0.00 1.00 0.00 0.00 62.75 61.36 3g8r n ILE 166 Cb 0.52 0.25 -0.16 0.00 -0.71 0.00 0.00 39.64 39.55 3g8r n ILE 166 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 3g8r s HIS 168 N -2.37 2.35 0.20 1.39 2.46 -0.04 -1.01 115.29 118.28 3g8r s HIS 168 Ca 0.06 -0.52 -0.22 0.00 0.47 0.00 0.00 55.06 54.85 3g8r s HIS 168 Cb -0.00 -1.52 0.05 0.00 -0.13 0.00 0.00 32.58 30.98 3g8r s HIS 168 CO 0.04 -0.09 0.64 0.00 -2.47 0.00 0.00 174.74 172.86 3g8r s VAL 170 N -3.81 1.96 -0.77 0.00 1.01 -1.26 -3.52 120.40 114.01 3g8r s VAL 170 Ca 0.04 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 60.97 3g8r s VAL 170 Cb -0.03 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 3g8r s VAL 170 CO -0.06 0.54 2.86 0.00 0.00 0.00 0.00 175.10 178.44 3g8r n ALA 171 N 3.13 6.70 -3.07 5.51 0.00 -1.26 -4.74 120.51 126.78 3g8r n ALA 171 Ca -0.18 -3.17 -0.30 0.00 0.00 0.00 0.00 53.44 49.79 3g8r n ALA 171 Cb 0.52 -2.53 -0.17 0.00 0.00 0.00 0.00 19.45 17.28 3g8r n ALA 171 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3g8r s GLU 172 N -0.50 2.49 -0.47 0.00 2.02 -1.26 -5.08 118.70 115.90 3g8r s GLU 172 Ca 0.61 -0.77 0.03 0.00 0.02 0.00 0.00 54.97 54.85 3g8r s GLU 172 Cb 0.29 -2.00 0.13 0.00 0.10 0.00 0.00 34.13 32.65 3g8r s GLU 172 CO -0.12 0.22 0.24 0.71 0.02 0.00 0.00 175.26 176.33 3g8r s TYR 173 N 0.20 2.56 0.86 1.61 1.51 -1.26 -2.57 117.35 120.25 3g8r s TYR 173 Ca -0.11 -2.75 -0.12 0.00 -1.01 0.00 0.00 57.07 53.08 3g8r s TYR 173 Cb -0.15 -2.33 0.14 0.00 -0.11 0.00 0.00 41.96 39.51 3g8r s TYR 173 CO 0.06 -0.77 1.20 -1.25 -1.11 0.00 0.00 175.55 173.67 3g8r s PRO 174 N 0.13 1.30 -0.23 -1.71 0.04 -1.26 -5.01 135.00 128.25 3g8r s PRO 174 Ca 0.17 -0.37 -0.08 0.00 0.04 0.00 0.00 61.00 60.76 3g8r s PRO 174 Cb -0.25 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 3g8r s PRO 174 CO -0.01 -1.93 0.08 0.99 0.04 0.00 0.00 177.00 176.17 3g8r s THR 175 N -3.63 4.50 0.56 1.26 2.01 0.26 -4.99 115.64 115.61 3g8r s THR 175 Ca 0.68 -0.11 -0.21 0.00 0.31 0.00 0.00 61.69 62.36 3g8r s THR 175 Cb -0.07 -3.09 -0.05 0.00 0.01 0.00 0.00 72.50 69.31 3g8r s THR 175 CO 0.50 0.36 1.26 -2.65 -0.69 0.00 0.00 174.62 173.40 3g8r n PRO 176 N 4.59 1.47 0.11 4.92 -0.02 -1.26 -4.59 135.00 140.21 3g8r n PRO 176 Ca -0.16 0.54 -0.13 0.00 -2.02 0.00 0.00 63.50 61.74 3g8r n PRO 176 Cb 0.52 -2.47 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 3g8r n PRO 176 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3g8r h ASP 177 N 1.17 -0.87 -0.41 2.55 5.19 -1.98 0.36 116.42 122.43 3g8r h ASP 177 Ca -0.50 0.10 0.12 0.00 -0.62 0.00 0.00 57.03 56.13 3g8r h ASP 177 Cb 1.32 0.33 -0.02 0.00 0.18 0.00 0.00 39.33 41.15 3g8r h ASP 177 CO 0.55 -0.39 0.42 -0.67 -3.12 0.00 0.00 179.24 176.03 3g8r n ASP 178 N -5.41 0.00 -0.01 6.45 2.03 -1.26 -2.63 116.55 115.72 3g8r n ASP 178 Ca -0.06 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.51 3g8r n ASP 178 Cb 0.32 -0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 3g8r n ASP 178 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 3g8r n HIS 179 N -2.09 0.00 0.15 -0.67 8.25 0.12 -4.71 115.22 116.27 3g8r n HIS 179 Ca 0.09 -0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 3g8r n HIS 179 Cb 0.54 -0.02 0.22 0.00 1.12 0.00 0.00 29.99 31.84 3g8r n HIS 179 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3g8r h LEU 180 N 0.00 0.00 -3.17 2.41 3.38 -1.25 -3.46 115.31 113.22 3g8r h LEU 180 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 3g8r h LEU 180 Cb 0.78 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.58 3g8r h LEU 180 CO 0.00 0.55 -0.95 1.57 0.09 0.00 0.00 178.44 179.70 3g8r n HIS 181 N -3.82 -1.76 0.22 1.13 -0.00 -1.26 -4.81 115.22 104.92 3g8r n HIS 181 Ca -0.01 0.41 0.12 0.00 0.46 0.00 0.00 57.72 58.70 3g8r n HIS 181 Cb 0.57 -3.34 0.22 0.00 -0.12 0.00 0.00 29.99 27.33 3g8r n HIS 181 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 3g8r h LEU 182 N -2.04 0.00 -1.84 0.27 3.38 -1.96 -2.38 115.31 110.74 3g8r h LEU 182 Ca -0.67 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.43 3g8r h LEU 182 Cb 1.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 3g8r h LEU 182 CO 0.51 0.03 0.55 0.00 0.09 0.00 0.00 178.44 179.61 3g8r h ALA 183 N 1.97 2.17 0.00 1.53 0.00 -1.97 0.39 119.26 123.35 3g8r h ALA 183 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3g8r h ALA 183 Cb 0.96 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3g8r h ALA 183 CO 0.00 -0.78 -0.02 -0.09 0.00 0.00 0.00 179.25 178.36 3g8r h ARG 184 N 0.00 0.00 -0.96 0.00 2.43 -1.78 -2.18 114.38 111.89 3g8r h ARG 184 Ca 0.22 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3g8r h ARG 184 Cb 1.31 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.81 3g8r h ARG 184 CO -0.00 0.02 0.59 0.82 -1.51 0.00 0.00 179.97 179.90 3g8r h ILE 185 N 0.00 1.26 -0.07 1.20 2.04 -1.14 0.36 117.51 121.16 3g8r h ILE 185 Ca -0.00 -0.55 -0.19 0.00 1.00 0.00 0.00 64.86 65.12 3g8r h ILE 185 Cb 0.38 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 3g8r h ILE 185 CO 0.00 0.27 -0.77 0.50 0.00 0.00 0.00 178.15 178.16 3g8r h LYS 186 N 1.33 0.44 -0.43 2.37 3.64 -1.58 -0.93 116.57 121.41 3g8r h LYS 186 Ca 0.35 -0.38 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3g8r h LYS 186 Cb -0.08 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3g8r h LYS 186 CO -0.07 1.02 0.28 1.15 -2.27 0.00 0.00 179.45 179.56 3g8r h THR 187 N 0.30 1.10 -0.45 1.00 2.02 -1.08 0.79 112.91 116.59 3g8r h THR 187 Ca -0.04 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 66.87 3g8r h THR 187 Cb 1.36 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 3g8r h THR 187 CO 0.13 0.10 -0.02 -0.07 0.37 0.00 0.00 175.52 176.04 3g8r h LEU 188 N 0.57 0.80 -0.93 2.58 3.38 -0.81 -1.66 115.31 119.24 3g8r h LEU 188 Ca 0.16 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.84 3g8r h LEU 188 Cb -0.06 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 3g8r h LEU 188 CO -0.04 0.93 0.60 -0.09 0.09 0.00 0.00 178.44 179.93 3g8r h ARG 189 N 0.65 1.13 -0.03 1.13 2.43 -0.41 -2.34 114.38 116.95 3g8r h ARG 189 Ca 0.12 -0.07 -0.20 0.00 -0.81 0.00 0.00 59.98 59.03 3g8r h ARG 189 Cb 0.53 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3g8r h ARG 189 CO 0.03 0.75 -0.83 1.96 -1.51 0.00 0.00 179.97 180.37 3g8r h GLN 190 N 1.17 0.31 -0.29 0.20 4.20 -0.67 -3.19 115.11 116.84 3g8r h GLN 190 Ca 0.37 -0.30 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 3g8r h GLN 190 Cb 0.01 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3g8r h GLN 190 CO -0.12 0.98 -0.15 0.37 -0.67 0.00 0.00 178.83 179.24 3g8r h GLN 191 N 0.19 0.50 -3.13 1.46 5.75 -0.96 -3.42 115.11 115.50 3g8r h GLN 191 Ca -0.05 -0.15 -0.58 0.00 -0.15 0.00 0.00 58.65 57.72 3g8r h GLN 191 Cb 1.43 -0.05 -0.40 0.00 1.07 0.00 0.00 27.48 29.54 3g8r h GLN 191 CO 0.14 0.64 -0.77 0.71 -2.65 0.00 0.00 178.83 176.89 3g8r s TYR 192 N -4.69 1.41 0.18 3.99 2.02 -0.91 -5.11 117.35 114.24 3g8r s TYR 192 Ca -0.07 -1.78 -0.15 0.00 -0.37 0.00 0.00 57.07 54.70 3g8r s TYR 192 Cb 0.14 -1.51 -0.07 0.00 -0.40 0.00 0.00 41.96 40.13 3g8r s TYR 192 CO 0.78 -0.84 0.58 0.00 -1.57 0.00 0.00 175.55 174.51 3g8r s ALA 193 N 1.26 3.54 -1.19 3.71 0.00 -1.26 -3.63 121.76 124.19 3g8r s ALA 193 Ca 0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.95 3g8r s ALA 193 Cb -0.20 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.36 3g8r s ALA 193 CO -0.15 0.44 0.59 0.41 0.00 0.00 0.00 175.76 177.05 3g8r n GLY 194 N 0.63 -0.25 2.86 0.00 0.00 -1.26 -5.03 105.19 102.14 3g8r n GLY 194 Ca -0.04 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 3g8r n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g8r s VAL 195 N -3.09 0.46 0.31 1.61 1.01 -1.24 -4.97 120.40 114.49 3g8r s VAL 195 Ca 0.29 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.92 3g8r s VAL 195 Cb -0.13 -0.51 -0.11 0.00 0.00 0.00 0.00 36.38 35.63 3g8r s VAL 195 CO 0.36 0.22 1.57 -0.60 0.00 0.00 0.00 175.10 176.65 3g8r s ARG 196 N 1.08 4.12 -0.08 2.72 3.52 -1.16 -4.87 118.95 124.28 3g8r s ARG 196 Ca -0.09 2.58 0.01 0.00 -0.13 0.00 0.00 55.73 58.10 3g8r s ARG 196 Cb -0.14 -3.01 -0.03 0.00 -1.56 0.00 0.00 34.95 30.21 3g8r s ARG 196 CO -0.01 -0.61 -0.09 0.42 -0.81 0.00 0.00 175.30 174.20 3g8r s ILE 197 N -0.25 3.50 0.03 4.11 -1.09 -1.26 -1.11 121.20 125.12 3g8r s ILE 197 Ca 0.61 -0.54 0.01 0.00 -2.23 0.00 0.00 60.65 58.49 3g8r s ILE 197 Cb -0.48 -2.43 -0.00 0.00 -1.58 0.00 0.00 42.46 37.97 3g8r s ILE 197 CO 0.51 0.58 0.03 0.61 -1.23 0.00 0.00 174.94 175.44 3g8r n GLY 198 N 2.53 3.93 2.86 6.18 0.00 -0.18 -1.21 105.19 119.30 3g8r n GLY 198 Ca -0.18 -1.69 -0.16 0.00 0.00 0.00 0.00 46.02 43.99 3g8r n GLY 198 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3g8r s TYR 199 N -2.11 -0.19 -0.03 1.61 6.04 -0.41 -0.86 117.35 121.40 3g8r s TYR 199 Ca 0.04 0.63 0.05 0.00 0.04 0.00 0.00 57.07 57.83 3g8r s TYR 199 Cb 0.00 -0.23 -0.03 0.00 -1.04 0.00 0.00 41.96 40.67 3g8r s TYR 199 CO 0.03 -0.27 -0.18 -1.54 -1.54 0.00 0.00 175.55 172.04 3g8r s SER 200 N 2.21 3.70 0.05 4.32 1.04 0.09 -1.35 113.70 123.75 3g8r s SER 200 Ca 0.02 -0.32 0.04 0.00 0.48 0.00 0.00 55.95 56.17 3g8r s SER 200 Cb -0.12 -0.66 -0.02 0.00 0.10 0.00 0.00 66.02 65.32 3g8r s SER 200 CO -0.06 0.32 -0.11 0.28 0.98 0.00 0.00 173.24 174.65 3g8r s THR 201 N -0.73 0.86 -0.09 2.02 -1.32 -0.16 -4.29 115.64 111.94 3g8r s THR 201 Ca 0.12 -1.11 0.15 0.00 -1.21 0.00 0.00 61.69 59.63 3g8r s THR 201 Cb -0.10 -0.85 0.31 0.00 -1.51 0.00 0.00 72.50 70.35 3g8r s THR 201 CO 0.01 -0.23 1.15 1.41 -2.21 0.00 0.00 174.62 174.75 3g8r n HIS 202 N 1.54 0.00 -0.09 9.09 8.25 -1.26 -4.18 115.22 128.58 3g8r n HIS 202 Ca -0.21 -0.78 -0.14 0.00 -0.26 0.00 0.00 57.72 56.33 3g8r n HIS 202 Cb 0.55 -0.16 -0.03 0.00 1.12 0.00 0.00 29.99 31.47 3g8r n HIS 202 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 3g8r h GLU 203 N 0.60 0.89 -5.83 -0.41 4.11 -1.87 0.76 114.58 112.83 3g8r h GLU 203 Ca -0.07 -0.52 -0.38 0.00 0.07 0.00 0.00 59.36 58.45 3g8r h GLU 203 Cb 1.36 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.62 3g8r h GLU 203 CO 0.03 1.16 1.01 0.34 0.07 0.00 0.00 179.01 181.62 3g8r s ASP 204 N -6.91 5.19 0.94 3.06 2.15 -1.26 -4.55 116.67 115.29 3g8r s ASP 204 Ca -0.11 -0.23 -0.14 0.00 0.43 0.00 0.00 52.55 52.51 3g8r s ASP 204 Cb 0.11 -2.55 0.16 0.00 -0.30 0.00 0.00 42.92 40.34 3g8r s ASP 204 CO 0.89 -2.59 1.17 -2.16 -0.17 0.00 0.00 175.17 172.30 3g8r s PRO 205 N 7.03 0.85 -0.90 4.34 0.04 -1.26 -4.20 135.00 140.90 3g8r s PRO 205 Ca 0.69 0.13 -0.26 0.00 0.04 0.00 0.00 61.00 61.60 3g8r s PRO 205 Cb -0.09 -1.82 -0.17 0.00 0.04 0.00 0.00 34.50 32.46 3g8r s PRO 205 CO 0.09 -2.36 2.29 0.16 0.04 0.00 0.00 177.00 177.22 3g8r s ASP 206 N -4.18 3.73 0.00 6.66 3.84 -1.26 -5.10 116.67 120.36 3g8r s ASP 206 Ca 0.66 -0.35 0.00 0.00 -0.00 0.00 0.00 52.55 52.86 3g8r s ASP 206 Cb -0.12 -2.57 0.00 0.00 -1.38 0.00 0.00 42.92 38.85 3g8r s ASP 206 CO 0.53 -4.20 0.00 0.18 -0.00 0.00 0.00 175.17 171.68 3g8r n LEU 207 N 19.00 0.00 0.00 2.11 4.77 -1.26 -5.14 117.00 136.47 3g8r n LEU 207 Ca 0.45 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 3g8r n LEU 207 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3g8r n LEU 207 CO 0.56 0.00 0.00 -1.84 -1.33 0.00 0.00 177.39 174.78 3g8r n GLU 209 N 0.00 0.00 -0.35 3.23 0.00 -1.26 -5.05 120.64 117.21 3g8r n GLU 209 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.22 3g8r n GLU 209 Cb 0.00 -0.50 0.22 0.00 0.00 0.00 0.00 31.44 31.16 3g8r n GLU 209 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.13 175.78 3g8r h PRO 210 N 0.00 0.92 -1.03 3.44 0.11 -2.02 -0.89 132.00 132.53 3g8r h PRO 210 Ca 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3g8r h PRO 210 Cb 0.00 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 30.90 3g8r h PRO 210 CO 0.00 0.61 0.00 1.51 -0.21 0.00 0.00 178.00 179.91 3g8r n ILE 211 N -4.65 0.02 0.00 4.15 0.13 -1.26 -0.30 119.36 117.45 3g8r n ILE 211 Ca 0.18 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.83 3g8r n ILE 211 Cb 0.34 -0.27 0.00 0.00 -0.84 0.00 0.00 39.64 38.87 3g8r n ILE 211 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 3g8r n LEU 213 N 0.74 0.00 0.00 9.51 4.32 -0.34 -0.21 117.00 131.02 3g8r n LEU 213 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 56.01 55.82 3g8r n LEU 213 Cb 0.01 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.70 3g8r n LEU 213 CO 0.00 0.00 0.26 0.00 -1.22 0.00 0.00 177.39 176.43 3g8r h ALA 214 N 0.00 0.06 -0.75 -1.18 0.00 -0.89 -2.61 119.26 113.89 3g8r h ALA 214 Ca 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 3g8r h ALA 214 Cb 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3g8r h ALA 214 CO 0.00 0.31 0.38 0.28 0.00 0.00 0.00 179.25 180.22 3g8r h VAL 215 N -0.19 1.23 0.00 0.00 2.07 -0.84 -1.92 116.25 116.59 3g8r h VAL 215 Ca -0.07 -0.62 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 3g8r h VAL 215 Cb 1.28 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3g8r h VAL 215 CO 0.11 0.27 -0.28 0.00 0.02 0.00 0.00 177.57 177.69 3g8r h ALA 216 N 1.36 1.30 -0.14 1.67 0.00 -1.77 0.20 119.26 121.87 3g8r h ALA 216 Ca 0.26 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3g8r h ALA 216 Cb 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3g8r h ALA 216 CO -0.04 0.35 0.00 0.94 0.00 0.00 0.00 179.25 180.50 3g8r n GLN 217 N -3.86 1.61 -1.08 0.00 7.27 -0.74 -4.89 117.38 115.68 3g8r n GLN 217 Ca -0.02 -0.92 0.00 0.00 0.07 0.00 0.00 57.00 56.14 3g8r n GLN 217 Cb 0.36 -1.37 0.00 0.00 2.41 0.00 0.00 30.24 31.64 3g8r n GLN 217 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3g8r n GLY 218 N 1.07 0.65 3.82 1.69 0.00 0.06 -4.52 105.19 107.95 3g8r n GLY 218 Ca 0.15 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 3g8r n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g8r s ALA 219 N -2.00 3.08 0.00 4.61 0.00 -1.11 -4.71 121.76 121.62 3g8r s ALA 219 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.35 3g8r s ALA 219 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.99 3g8r s ALA 219 CO 0.00 0.15 0.14 2.41 0.00 0.00 0.00 175.76 178.46 3g8r n THR 220 N -0.47 0.00 -3.82 0.00 -1.04 -0.35 -4.60 114.28 104.01 3g8r n THR 220 Ca 0.06 -0.23 -0.13 0.00 -2.04 0.00 0.00 64.05 61.72 3g8r n THR 220 Cb 0.53 1.34 -0.14 0.00 -1.82 0.00 0.00 70.33 70.25 3g8r n THR 220 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3g8r s VAL 221 N -0.17 -0.01 -0.05 12.58 1.01 -1.25 -1.01 120.40 131.49 3g8r s VAL 221 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 3g8r s VAL 221 Cb 0.00 -0.14 0.04 0.00 0.00 0.00 0.00 36.38 36.28 3g8r s VAL 221 CO 0.00 0.02 0.10 -0.36 0.00 0.00 0.00 175.10 174.86 3g8r s PHE 222 N 0.35 -0.08 -0.06 5.22 0.08 0.50 -1.29 117.98 122.70 3g8r s PHE 222 Ca -0.03 0.36 0.04 0.00 0.12 0.00 0.00 56.93 57.43 3g8r s PHE 222 Cb -0.04 -0.20 -0.00 0.00 -0.57 0.00 0.00 43.02 42.21 3g8r s PHE 222 CO -0.01 -0.16 -0.20 -2.00 -0.10 0.00 0.00 175.22 172.75 3g8r s GLU 223 N 1.39 2.23 -0.00 0.44 2.12 -0.46 0.88 118.70 125.30 3g8r s GLU 223 Ca -0.06 -0.72 -0.01 0.00 0.36 0.00 0.00 54.97 54.54 3g8r s GLU 223 Cb -0.12 -1.85 0.00 0.00 0.26 0.00 0.00 34.13 32.42 3g8r s GLU 223 CO -0.05 0.24 0.02 0.21 -0.54 0.00 0.00 175.26 175.14 3g8r s LYS 224 N 0.12 0.04 0.37 4.30 2.47 -0.59 -0.99 119.74 125.46 3g8r s LYS 224 Ca -0.08 -0.02 -0.26 0.00 -1.56 0.00 0.00 55.97 54.05 3g8r s LYS 224 Cb -0.14 0.02 -0.09 0.00 -1.46 0.00 0.00 37.83 36.16 3g8r s LYS 224 CO 0.04 -0.01 1.15 -1.01 0.16 0.00 0.00 175.35 175.68 3g8r s HIS 225 N -0.09 3.19 0.14 4.03 3.76 -1.26 -1.22 115.29 123.84 3g8r s HIS 225 Ca -0.01 1.58 0.04 0.00 -0.15 0.00 0.00 55.06 56.52 3g8r s HIS 225 Cb -0.01 -3.35 -0.04 0.00 1.11 0.00 0.00 32.58 30.28 3g8r s HIS 225 CO -0.00 -1.12 -0.08 0.14 -0.85 0.00 0.00 174.74 172.83 3g8r s VAL 226 N -1.39 1.02 -0.08 -0.90 -7.23 -0.01 -1.13 120.40 110.68 3g8r s VAL 226 Ca 0.54 -2.03 -0.31 0.00 -1.81 0.00 0.00 61.98 58.37 3g8r s VAL 226 Cb -0.30 -1.86 0.12 0.00 0.56 0.00 0.00 36.38 34.90 3g8r s VAL 226 CO 0.38 -0.73 1.02 -0.83 -0.31 0.00 0.00 175.10 174.64 3g8r s GLY 227 N -3.15 -0.39 -0.33 2.32 0.00 -0.98 -4.79 107.32 100.00 3g8r s GLY 227 Ca 0.17 1.26 -0.03 0.00 0.00 0.00 0.00 44.72 46.11 3g8r s GLY 227 CO 0.00 0.42 0.06 -2.27 0.00 0.00 0.00 173.10 171.31 3g8r s LEU 228 N -2.36 4.26 0.72 0.66 2.96 -1.26 -4.08 118.68 119.58 3g8r s LEU 228 Ca 0.07 -1.40 -0.16 0.00 -0.22 0.00 0.00 54.13 52.42 3g8r s LEU 228 Cb -0.01 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.93 3g8r s LEU 228 CO -0.07 -0.33 1.07 -0.81 -1.32 0.00 0.00 176.35 174.89 3g8r n PRO 229 N 4.65 0.58 -3.51 0.98 -0.04 -1.26 -4.88 135.00 131.52 3g8r n PRO 229 Ca -0.11 0.26 -0.12 0.00 -0.04 0.00 0.00 63.50 63.49 3g8r n PRO 229 Cb 0.43 -2.32 -0.04 0.00 -0.04 0.00 0.00 33.50 31.53 3g8r n PRO 229 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3g8r s THR 230 N -1.77 0.00 0.01 0.52 2.01 -0.92 -5.03 115.64 110.46 3g8r s THR 230 Ca 0.75 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.45 3g8r s THR 230 Cb -0.35 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.12 3g8r s THR 230 CO 0.48 0.00 1.20 1.51 -0.69 0.00 0.00 174.62 177.12 3g8r s ASP 231 N -1.83 7.07 -1.15 3.53 3.84 -1.26 -2.69 116.67 124.18 3g8r s ASP 231 Ca -0.01 1.93 -0.08 0.00 -0.00 0.00 0.00 52.55 54.39 3g8r s ASP 231 Cb -0.01 -2.57 -0.03 0.00 -1.38 0.00 0.00 42.92 38.93 3g8r s ASP 231 CO -0.02 -0.52 0.84 0.00 -0.00 0.00 0.00 175.17 175.47 3g8r n GLN 232 N 4.47 -3.03 -3.18 2.11 1.13 -1.26 -5.04 117.38 112.58 3g8r n GLN 232 Ca 0.10 0.69 0.04 0.00 -1.94 0.00 0.00 57.00 55.90 3g8r n GLN 232 Cb 0.46 -5.20 -0.03 0.00 0.11 0.00 0.00 30.24 25.58 3g8r n GLN 232 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3g8r s TYR 233 N -3.47 -0.19 0.53 1.08 2.02 -1.09 -5.20 117.35 111.02 3g8r s TYR 233 Ca 0.31 0.26 -0.06 0.00 -0.37 0.00 0.00 57.07 57.21 3g8r s TYR 233 Cb -0.07 0.09 0.12 0.00 -0.40 0.00 0.00 41.96 41.70 3g8r s TYR 233 CO 0.79 -0.10 0.72 0.41 -1.57 0.00 0.00 175.55 175.80 3g8r n GLY 234 N 5.04 -0.61 2.96 0.71 0.00 -1.26 -2.17 105.19 109.86 3g8r n GLY 234 Ca -0.08 -1.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 3g8r n GLY 234 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3g8r s ILE 235 N -2.38 0.17 0.79 -0.61 2.07 -1.26 -4.72 121.20 115.26 3g8r s ILE 235 Ca 0.43 -0.61 -0.11 0.00 -1.41 0.00 0.00 60.65 58.95 3g8r s ILE 235 Cb -0.02 -0.25 0.18 0.00 0.13 0.00 0.00 42.46 42.50 3g8r s ILE 235 CO 0.30 -0.28 1.08 -0.46 -1.91 0.00 0.00 174.94 173.66 3g8r n ASN 236 N 2.13 0.33 -0.65 4.50 6.94 -1.26 -4.97 115.26 122.27 3g8r n ASN 236 Ca -0.19 -1.54 0.13 0.00 -0.02 0.00 0.00 54.58 52.95 3g8r n ASN 236 Cb 0.57 -0.80 0.38 0.00 -2.36 0.00 0.00 39.78 37.57 3g8r n ASN 236 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 3g8r n ASN 237 N -3.56 1.99 -0.71 0.53 6.94 -1.26 -3.23 115.26 115.97 3g8r n ASN 237 Ca 0.14 -1.69 0.05 0.00 -0.02 0.00 0.00 54.58 53.07 3g8r n ASN 237 Cb 0.50 -0.05 0.10 0.00 -2.36 0.00 0.00 39.78 37.97 3g8r n ASN 237 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3g8r n TYR 238 N 0.55 0.00 -4.45 -2.53 4.11 -1.26 -4.19 117.16 109.38 3g8r n TYR 238 Ca 0.17 -0.83 -0.24 0.00 -0.00 0.00 0.00 57.90 57.00 3g8r n TYR 238 Cb 0.42 -0.16 -0.17 0.00 -0.00 0.00 0.00 39.34 39.43 3g8r n TYR 238 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 3g8r s SER 239 N -2.40 1.72 0.01 9.48 0.01 -1.20 -4.37 113.70 116.95 3g8r s SER 239 Ca 0.28 -0.28 -0.17 0.00 1.31 0.00 0.00 55.95 57.10 3g8r s SER 239 Cb 0.29 -0.78 -0.06 0.00 0.21 0.00 0.00 66.02 65.68 3g8r s SER 239 CO -0.06 0.00 0.47 0.00 0.41 0.00 0.00 173.24 174.06 3g8r s ALA 240 N 0.82 3.64 0.84 1.44 0.00 -0.28 -4.76 121.76 123.46 3g8r s ALA 240 Ca -0.12 -0.13 -0.13 0.00 0.00 0.00 0.00 51.96 51.59 3g8r s ALA 240 Cb -0.15 -2.50 0.11 0.00 0.00 0.00 0.00 23.12 20.57 3g8r s ALA 240 CO 0.02 0.40 1.21 0.54 0.00 0.00 0.00 175.76 177.93 3g8r s ASN 241 N -0.90 4.18 0.48 0.00 2.20 -1.26 -2.32 114.94 117.33 3g8r s ASN 241 Ca 0.26 0.69 0.14 0.00 -0.94 0.00 0.00 52.86 53.00 3g8r s ASN 241 Cb -0.17 -1.09 1.14 0.00 -2.00 0.00 0.00 41.25 39.12 3g8r s ASN 241 CO 0.15 -2.10 2.11 -0.65 -2.94 0.00 0.00 177.10 173.67 3g8r h PRO 242 N -1.19 0.18 -0.63 3.55 0.11 -1.93 -0.72 132.00 131.37 3g8r h PRO 242 Ca -0.46 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 3g8r h PRO 242 Cb 1.31 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 3g8r h PRO 242 CO 0.60 0.12 0.11 0.93 -0.21 0.00 0.00 178.00 179.56 3g8r h GLU 243 N 0.19 1.03 0.00 1.05 3.07 -1.95 -2.85 114.58 115.11 3g8r h GLU 243 Ca 0.07 -0.26 0.00 0.00 -0.50 0.00 0.00 59.36 58.67 3g8r h GLU 243 Cb 0.05 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 3g8r h GLU 243 CO -0.01 0.94 -0.57 -0.56 -1.40 0.00 0.00 179.01 177.40 3g8r h GLN 244 N 0.97 0.00 -0.27 2.33 3.07 -1.53 -3.06 115.11 116.61 3g8r h GLN 244 Ca 0.20 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.88 3g8r h GLN 244 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.95 3g8r h GLN 244 CO 0.01 0.00 -0.05 0.28 0.09 0.00 0.00 178.83 179.16 3g8r h VAL 245 N 0.00 1.28 -0.77 1.86 2.07 -1.20 0.60 116.25 120.10 3g8r h VAL 245 Ca 0.00 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.49 3g8r h VAL 245 Cb 0.88 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 3g8r h VAL 245 CO 0.00 0.33 0.49 -0.09 0.02 0.00 0.00 177.57 178.33 3g8r h ARG 246 N 0.28 0.94 -0.39 1.57 2.43 -1.51 -0.64 114.38 117.06 3g8r h ARG 246 Ca 0.07 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 3g8r h ARG 246 Cb 0.52 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 3g8r h ARG 246 CO 0.02 0.62 0.16 0.00 -1.51 0.00 0.00 179.97 179.26 3g8r h ARG 247 N 0.96 0.57 -0.79 0.20 3.08 -1.47 -0.58 114.38 116.35 3g8r h ARG 247 Ca 0.30 -0.10 0.18 0.00 0.07 0.00 0.00 59.98 60.43 3g8r h ARG 247 Cb -0.01 -0.09 -0.12 0.00 0.08 0.00 0.00 29.97 29.83 3g8r h ARG 247 CO -0.10 0.54 0.24 2.35 -1.07 0.00 0.00 179.97 181.92 3g8r h TRP 248 N 0.48 0.38 0.00 3.04 7.01 0.17 -0.49 115.95 126.54 3g8r h TRP 248 Ca 0.13 0.04 -0.15 0.00 2.11 0.00 0.00 58.89 61.02 3g8r h TRP 248 Cb 0.17 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.17 3g8r h TRP 248 CO -0.00 -0.08 -0.71 -0.07 -2.79 0.00 0.00 178.44 174.79 3g8r h LEU 249 N 0.31 0.00 -1.15 0.65 3.38 -0.88 -2.85 115.31 114.76 3g8r h LEU 249 Ca 0.46 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.35 3g8r h LEU 249 Cb 0.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3g8r h LEU 249 CO -0.52 0.71 -0.29 0.00 0.09 0.00 0.00 178.44 178.43 3g8r h ALA 250 N 1.29 1.29 -0.11 1.53 0.00 0.13 0.38 119.26 123.77 3g8r h ALA 250 Ca -0.01 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 3g8r h ALA 250 Cb 1.47 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.18 3g8r h ALA 250 CO 0.09 0.48 -0.43 0.00 0.00 0.00 0.00 179.25 179.39 3g8r h ALA 251 N 1.51 0.20 -0.33 0.00 0.00 -1.04 -0.54 119.26 119.06 3g8r h ALA 251 Ca 0.03 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 3g8r h ALA 251 Cb 0.62 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3g8r h ALA 251 CO 0.04 0.33 0.03 0.00 0.00 0.00 0.00 179.25 179.66 3g8r h ALA 252 N 0.48 0.44 -0.59 0.00 0.00 -1.32 -0.90 119.26 117.36 3g8r h ALA 252 Ca -0.02 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 54.79 3g8r h ALA 252 Cb 1.07 -0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.63 3g8r h ALA 252 CO 0.09 0.16 -0.12 0.00 0.00 0.00 0.00 179.25 179.37 3g8r h ALA 253 N 0.87 0.43 -0.22 0.00 0.00 -0.83 -0.23 119.26 119.28 3g8r h ALA 253 Ca 0.10 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3g8r h ALA 253 Cb 0.39 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3g8r h ALA 253 CO 0.01 -0.43 0.12 -0.09 0.00 0.00 0.00 179.25 178.87 3g8r h ARG 254 N 0.02 0.30 -0.49 0.00 2.43 -0.77 -2.80 114.38 113.07 3g8r h ARG 254 Ca 0.29 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3g8r h ARG 254 Cb 0.45 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 3g8r h ARG 254 CO -0.60 0.27 0.29 0.00 -1.51 0.00 0.00 179.97 178.43 3g8r h ALA 255 N 1.01 1.60 -0.47 2.80 0.00 0.16 -1.43 119.26 122.93 3g8r h ALA 255 Ca 0.08 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3g8r h ALA 255 Cb 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3g8r h ALA 255 CO -0.01 0.35 -0.20 -0.07 0.00 0.00 0.00 179.25 179.32 3g8r h LEU 256 N 0.67 0.97 -1.61 0.00 3.38 -0.96 -0.45 115.31 117.30 3g8r h LEU 256 Ca 0.18 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3g8r h LEU 256 Cb -0.02 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.46 3g8r h LEU 256 CO -0.03 1.13 0.00 0.00 0.09 0.00 0.00 178.44 179.63 3g8r n ALA 257 N -2.51 1.80 0.00 1.53 0.00 -0.54 -1.52 120.51 119.28 3g8r n ALA 257 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3g8r n ALA 257 Cb 0.45 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3g8r n ALA 257 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3g8r n LEU 259 N 0.59 0.00 0.00 0.00 4.77 -0.18 -4.93 117.00 117.26 3g8r n LEU 259 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3g8r n LEU 259 Cb 0.17 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3g8r n LEU 259 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3g8r n GLY 260 N 0.00 0.55 3.53 -0.72 0.00 -0.57 -4.65 105.19 103.34 3g8r n GLY 260 Ca 0.00 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 3g8r n GLY 260 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g8r s ASP 261 N -4.00 5.47 0.15 1.61 3.68 -1.26 -4.98 116.67 117.34 3g8r s ASP 261 Ca 0.00 -0.09 0.20 0.00 2.13 0.00 0.00 52.55 54.79 3g8r s ASP 261 Cb 0.00 -1.98 0.83 0.00 -1.45 0.00 0.00 42.92 40.32 3g8r s ASP 261 CO 0.00 0.02 1.61 0.61 0.13 0.00 0.00 175.17 177.54 3g8r n GLY 262 N 4.58 -1.16 0.18 2.66 0.00 -1.26 -2.77 105.19 107.42 3g8r n GLY 262 Ca -0.16 0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 3g8r n GLY 262 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3g8r h GLU 263 N 0.00 0.54 -5.85 1.61 4.57 -1.99 -3.44 114.58 110.02 3g8r h GLU 263 Ca 0.00 -0.22 -0.60 0.00 -1.18 0.00 0.00 59.36 57.36 3g8r h GLU 263 Cb 0.32 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 3g8r h GLU 263 CO 0.00 0.77 1.50 -0.25 -1.18 0.00 0.00 179.01 179.85 3g8r n ASP 264 N -4.49 2.31 0.06 1.04 9.92 -1.11 -4.78 116.55 119.48 3g8r n ASP 264 Ca -0.04 0.19 -0.04 0.00 -0.53 0.00 0.00 54.79 54.37 3g8r n ASP 264 Cb 0.33 -1.37 -0.09 0.00 -0.64 0.00 0.00 41.12 39.36 3g8r n ASP 264 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3g8r h ASP 265 N 14.25 0.00 -1.40 -2.24 3.32 -1.91 -3.49 116.42 124.96 3g8r h ASP 265 Ca -0.28 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.19 3g8r h ASP 265 Cb 1.29 0.00 0.13 0.00 0.22 0.00 0.00 39.33 40.98 3g8r h ASP 265 CO 1.05 0.83 -0.79 0.00 -1.72 0.00 0.00 179.24 178.62 3g8r n ALA 266 N -2.37 -2.82 -2.91 3.45 0.00 -1.26 -4.97 120.51 109.63 3g8r n ALA 266 Ca -0.05 0.16 -0.31 0.00 0.00 0.00 0.00 53.44 53.24 3g8r n ALA 266 Cb 0.90 -1.36 -0.17 0.00 0.00 0.00 0.00 19.45 18.83 3g8r n ALA 266 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3g8r s VAL 267 N -1.40 2.02 0.70 0.00 0.11 -1.26 -5.13 120.40 115.44 3g8r s VAL 267 Ca 0.55 -1.03 -0.14 0.00 -2.93 0.00 0.00 61.98 58.43 3g8r s VAL 267 Cb -0.63 -1.72 0.02 0.00 -1.53 0.00 0.00 36.38 32.52 3g8r s VAL 267 CO 0.56 0.56 1.11 -0.55 -3.33 0.00 0.00 175.10 173.45 3g8r s SER 268 N 0.01 4.86 0.10 3.54 0.15 -1.26 -4.98 113.70 116.13 3g8r s SER 268 Ca -0.09 1.98 0.03 0.00 0.70 0.00 0.00 55.95 58.57 3g8r s SER 268 Cb -0.15 -2.55 -0.24 0.00 -1.71 0.00 0.00 66.02 61.37 3g8r s SER 268 CO 0.05 -1.80 1.21 -0.08 1.20 0.00 0.00 173.24 173.83 3g8r h GLU 269 N -0.32 0.10 0.31 5.44 4.57 -2.00 -3.12 114.58 119.57 3g8r h GLU 269 Ca -0.46 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 57.53 3g8r h GLU 269 Cb 1.25 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.90 3g8r h GLU 269 CO 0.53 1.08 -0.24 1.15 -1.18 0.00 0.00 179.01 180.34 3g8r h THR 270 N 0.03 0.00 -0.90 0.32 2.02 -2.00 -2.88 112.91 109.49 3g8r h THR 270 Ca -0.06 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.38 3g8r h THR 270 Cb 1.85 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 68.09 3g8r h THR 270 CO 0.16 0.00 0.06 -0.62 0.37 0.00 0.00 175.52 175.49 3g8r n GLU 271 N -3.81 -0.07 -0.19 6.66 1.02 -1.24 -0.63 120.64 122.37 3g8r n GLU 271 Ca -0.06 1.35 -0.10 0.00 -0.02 0.00 0.00 57.16 58.32 3g8r n GLU 271 Cb 0.23 -2.16 0.01 0.00 -0.02 0.00 0.00 31.44 29.51 3g8r n GLU 271 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3g8r h GLN 272 N 0.00 1.03 0.07 3.49 1.08 -1.46 0.11 115.11 119.44 3g8r h GLN 272 Ca 0.57 -0.37 -0.19 0.00 -1.45 0.00 0.00 58.65 57.21 3g8r h GLN 272 Cb 1.21 -0.07 0.02 0.00 -0.05 0.00 0.00 27.48 28.59 3g8r h GLN 272 CO -0.84 1.06 -0.79 0.00 -0.95 0.00 0.00 178.83 177.31 3g8r h ALA 273 N 0.94 -0.00 -0.38 3.87 0.00 -0.66 -2.33 119.26 120.70 3g8r h ALA 273 Ca 0.15 -0.65 0.06 0.00 0.00 0.00 0.00 54.91 54.47 3g8r h ALA 273 Cb 0.64 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.42 3g8r h ALA 273 CO 0.04 0.42 -0.47 0.77 0.00 0.00 0.00 179.25 180.01 3g8r h SER 274 N -0.13 -1.55 -0.97 0.00 0.02 -1.12 -0.20 113.55 109.60 3g8r h SER 274 Ca -0.12 0.22 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 3g8r h SER 274 Cb 1.54 0.66 -0.05 0.00 0.14 0.00 0.00 62.40 64.69 3g8r h SER 274 CO 0.15 -0.39 0.64 -0.07 -1.14 0.00 0.00 176.83 176.02 3g8r h LEU 275 N -0.37 1.08 -0.99 5.07 3.38 -0.82 -0.69 115.31 121.96 3g8r h LEU 275 Ca 0.11 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3g8r h LEU 275 Cb 0.60 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3g8r h LEU 275 CO -0.56 0.75 0.24 -0.09 0.09 0.00 0.00 178.44 178.87 3g8r h ARG 276 N 1.26 0.97 0.00 1.13 2.43 -1.02 -2.75 114.38 116.40 3g8r h ARG 276 Ca 0.38 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3g8r h ARG 276 Cb -0.05 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.34 3g8r h ARG 276 CO -0.11 0.80 0.00 -1.13 -1.51 0.00 0.00 179.97 178.02 3g8r n SER 277 N -4.30 0.00 0.00 -3.80 3.41 -0.12 -0.85 113.62 107.97 3g8r n SER 277 Ca 0.06 -0.45 0.00 0.00 -0.26 0.00 0.00 58.87 58.22 3g8r n SER 277 Cb 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 3g8r n SER 277 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3g8r n LEU 278 N -0.95 0.55 -4.87 1.04 4.77 -1.05 -4.89 117.00 111.60 3g8r n LEU 278 Ca 0.09 -0.70 -0.31 0.00 -0.03 0.00 0.00 56.01 55.06 3g8r n LEU 278 Cb 0.04 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 3g8r n LEU 278 CO 0.07 0.14 0.73 -0.13 -1.33 0.00 0.00 177.39 176.86 3g8r s ARG 279 N -0.30 3.32 -0.25 3.23 0.52 -0.03 -5.03 118.95 120.41 3g8r s ARG 279 Ca 0.00 0.68 -0.16 0.00 -0.52 0.00 0.00 55.73 55.73 3g8r s ARG 279 Cb 0.00 -2.05 -0.03 0.00 0.52 0.00 0.00 34.95 33.38 3g8r s ARG 279 CO 0.00 -0.75 0.43 0.50 0.02 0.00 0.00 175.30 175.50 3g8r s ARG 280 N -5.22 4.07 0.51 3.54 3.52 -1.26 -3.80 118.95 120.30 3g8r s ARG 280 Ca 0.56 0.17 -0.04 0.00 -0.13 0.00 0.00 55.73 56.29 3g8r s ARG 280 Cb -0.11 -3.63 -0.01 0.00 -1.56 0.00 0.00 34.95 29.63 3g8r s ARG 280 CO 0.53 -0.26 0.79 0.20 -0.81 0.00 0.00 175.30 175.76 3g8r s GLY 281 N 1.49 1.54 -0.23 8.12 0.00 0.27 0.20 107.32 118.71 3g8r s GLY 281 Ca 0.18 -0.72 -0.08 0.00 0.00 0.00 0.00 44.72 44.10 3g8r s GLY 281 CO 0.09 -0.51 0.10 0.14 0.00 0.00 0.00 173.10 172.91 3g8r s VAL 282 N -2.77 4.72 0.06 1.40 1.01 0.34 -1.40 120.40 123.76 3g8r s VAL 282 Ca 0.50 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.52 3g8r s VAL 282 Cb -0.10 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 3g8r s VAL 282 CO 0.43 0.36 -0.20 -0.36 0.00 0.00 0.00 175.10 175.33 3g8r s PHE 283 N 1.19 2.50 0.27 5.22 0.08 0.33 -1.27 117.98 126.30 3g8r s PHE 283 Ca 0.05 -0.29 -0.29 0.00 0.12 0.00 0.00 56.93 56.52 3g8r s PHE 283 Cb -0.14 -1.41 -0.09 0.00 -0.57 0.00 0.00 43.02 40.80 3g8r s PHE 283 CO 0.04 0.27 1.16 0.00 -0.10 0.00 0.00 175.22 176.59 3g8r s ALA 284 N -0.96 3.43 -2.18 5.36 0.00 -0.15 -0.27 121.76 126.99 3g8r s ALA 284 Ca 0.15 0.98 0.22 0.00 0.00 0.00 0.00 51.96 53.31 3g8r s ALA 284 Cb -0.10 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.67 3g8r s ALA 284 CO 0.06 -0.30 1.10 0.25 0.00 0.00 0.00 175.76 176.87 3g8r n THR 285 N 1.37 0.00 -3.61 0.00 -2.24 0.34 -0.05 114.28 110.09 3g8r n THR 285 Ca 0.00 -0.32 -0.12 0.00 -2.27 0.00 0.00 64.05 61.34 3g8r n THR 285 Cb 0.44 1.30 -0.07 0.00 -2.10 0.00 0.00 70.33 69.91 3g8r n THR 285 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3g8r s ARG 286 N -2.32 0.70 0.37 -0.78 3.52 -1.25 -4.57 118.95 114.63 3g8r s ARG 286 Ca 0.20 0.62 -0.28 0.00 -0.13 0.00 0.00 55.73 56.14 3g8r s ARG 286 Cb 0.18 0.34 -0.11 0.00 -1.56 0.00 0.00 34.95 33.80 3g8r s ARG 286 CO 0.50 -0.13 1.45 -2.14 -0.81 0.00 0.00 175.30 174.17 3g8r s PRO 287 N -0.11 4.15 -0.19 5.12 0.02 -1.26 -4.23 135.00 138.50 3g8r s PRO 287 Ca -0.01 2.49 0.01 0.00 0.02 0.00 0.00 61.00 63.52 3g8r s PRO 287 Cb -0.04 -2.98 0.02 0.00 0.02 0.00 0.00 34.50 31.53 3g8r s PRO 287 CO -0.00 -0.47 -0.19 0.08 -0.33 0.00 0.00 177.00 176.08 3g8r s VAL 288 N -1.13 2.08 0.81 3.83 1.01 -0.28 -4.93 120.40 121.79 3g8r s VAL 288 Ca 0.52 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 3g8r s VAL 288 Cb -0.45 -1.90 0.08 0.00 0.00 0.00 0.00 36.38 34.10 3g8r s VAL 288 CO 0.61 0.48 1.10 0.00 0.00 0.00 0.00 175.10 177.29 3g8r s ALA 289 N 1.27 2.18 0.37 5.51 0.00 -1.26 0.36 121.76 130.20 3g8r s ALA 289 Ca 0.04 -0.19 -0.28 0.00 0.00 0.00 0.00 51.96 51.53 3g8r s ALA 289 Cb -0.14 -3.11 -0.11 0.00 0.00 0.00 0.00 23.12 19.76 3g8r s ALA 289 CO -0.12 -1.79 1.42 0.00 0.00 0.00 0.00 175.76 175.27 3g8r n ALA 290 N -3.48 2.01 -0.80 0.00 0.00 -1.26 -1.75 120.51 115.23 3g8r n ALA 290 Ca 0.07 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3g8r n ALA 290 Cb 0.56 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.65 3g8r n ALA 290 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g8r n GLY 291 N 0.56 0.20 3.75 0.00 0.00 0.58 -4.95 105.19 105.34 3g8r n GLY 291 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3g8r n GLY 291 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g8r s GLU 292 N -1.08 4.56 0.35 1.61 2.02 -0.72 -4.79 118.70 120.66 3g8r s GLU 292 Ca 0.00 1.86 -0.23 0.00 0.02 0.00 0.00 54.97 56.63 3g8r s GLU 292 Cb 0.00 -3.20 -0.10 0.00 0.10 0.00 0.00 34.13 30.93 3g8r s GLU 292 CO 0.00 0.06 0.91 0.00 0.02 0.00 0.00 175.26 176.25 3g8r s ALA 293 N -0.73 3.18 -0.18 5.21 0.00 -1.26 -1.16 121.76 126.82 3g8r s ALA 293 Ca 0.48 0.40 -0.23 0.00 0.00 0.00 0.00 51.96 52.61 3g8r s ALA 293 Cb -0.33 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 3g8r s ALA 293 CO 0.40 0.19 0.75 -0.51 0.00 0.00 0.00 175.76 176.59 3g8r s LEU 294 N -2.55 4.16 0.44 0.00 1.02 -0.46 -4.94 118.68 116.35 3g8r s LEU 294 Ca 0.54 1.03 0.04 0.00 0.02 0.00 0.00 54.13 55.76 3g8r s LEU 294 Cb -0.14 -3.09 -0.02 0.00 0.02 0.00 0.00 46.19 42.96 3g8r s LEU 294 CO 0.19 -0.35 0.13 0.42 0.02 0.00 0.00 176.35 176.76 3g8r s THR 295 N 2.04 0.57 0.42 5.49 -4.23 -1.26 -4.75 115.64 113.92 3g8r s THR 295 Ca 0.34 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.96 3g8r s THR 295 Cb -0.16 -2.25 0.30 0.00 1.34 0.00 0.00 72.50 71.73 3g8r s THR 295 CO 0.11 0.00 2.01 0.00 -0.54 0.00 0.00 174.62 176.20 3g8r h ALA 296 N 1.66 1.87 -2.52 3.99 0.00 -1.93 -2.75 119.26 119.57 3g8r h ALA 296 Ca -0.35 -0.02 -0.54 0.00 0.00 0.00 0.00 54.91 54.00 3g8r h ALA 296 Cb 1.28 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3g8r h ALA 296 CO 0.56 0.04 -0.06 -0.51 0.00 0.00 0.00 179.25 179.29 3g8r s ASP 297 N -6.40 6.76 0.00 0.00 1.01 -1.26 -4.18 116.67 112.59 3g8r s ASP 297 Ca -0.08 1.07 0.00 0.00 0.71 0.00 0.00 52.55 54.25 3g8r s ASP 297 Cb 0.19 -2.28 0.00 0.00 1.01 0.00 0.00 42.92 41.83 3g8r s ASP 297 CO 0.74 -0.01 0.00 -0.46 0.21 0.00 0.00 175.17 175.65 3g8r n ASN 298 N 0.27 0.00 -4.45 0.27 6.94 -1.26 -5.01 115.26 112.02 3g8r n ASN 298 Ca -0.02 0.00 -0.25 0.00 -0.02 0.00 0.00 54.58 54.29 3g8r n ASN 298 Cb 0.52 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.83 3g8r n ASN 298 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 3g8r s VAL 299 N -1.29 2.42 0.14 3.53 -7.23 -1.04 0.13 120.40 117.06 3g8r s VAL 299 Ca 0.00 -2.26 -0.05 0.00 -1.81 0.00 0.00 61.98 57.86 3g8r s VAL 299 Cb 0.00 -2.23 -0.02 0.00 0.56 0.00 0.00 36.38 34.69 3g8r s VAL 299 CO 0.00 -0.29 0.16 -0.94 -0.31 0.00 0.00 175.10 173.72 3g8r s SER 300 N -3.18 0.18 -0.02 4.85 1.04 0.63 -4.78 113.70 112.43 3g8r s SER 300 Ca 0.26 -1.04 0.03 0.00 0.48 0.00 0.00 55.95 55.68 3g8r s SER 300 Cb -0.06 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 3g8r s SER 300 CO 0.13 -0.80 -0.10 -0.36 0.98 0.00 0.00 173.24 173.09 3g8r s PHE 301 N -4.01 2.82 -0.09 5.02 0.08 -1.26 -0.51 117.98 120.02 3g8r s PHE 301 Ca 0.20 -0.08 -0.31 0.00 0.12 0.00 0.00 56.93 56.87 3g8r s PHE 301 Cb 0.06 -1.62 0.12 0.00 -0.57 0.00 0.00 43.02 41.00 3g8r s PHE 301 CO 0.01 0.31 1.01 0.00 -0.10 0.00 0.00 175.22 176.44 3g8r s ALA 302 N -0.88 -1.92 0.27 5.36 0.00 -0.49 -4.94 121.76 119.16 3g8r s ALA 302 Ca 0.14 1.31 0.11 0.00 0.00 0.00 0.00 51.96 53.53 3g8r s ALA 302 Cb -0.11 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 3g8r s ALA 302 CO 0.04 -0.57 -0.11 0.12 0.00 0.00 0.00 175.76 175.24 3g8r s PHE 303 N -2.45 2.47 0.32 0.00 5.99 -1.26 0.97 117.98 124.02 3g8r s PHE 303 Ca 0.05 -0.28 0.06 0.00 0.00 0.00 0.00 56.93 56.76 3g8r s PHE 303 Cb -0.01 -1.08 -0.01 0.00 0.00 0.00 0.00 43.02 41.91 3g8r s PHE 303 CO -0.06 0.67 0.44 -1.25 -0.00 0.00 0.00 175.22 175.03 3g8r s PRO 304 N -3.57 3.16 0.52 10.12 0.04 -1.26 -4.98 135.00 139.03 3g8r s PRO 304 Ca 0.31 -0.98 -0.07 0.00 0.04 0.00 0.00 61.00 60.30 3g8r s PRO 304 Cb -0.06 -2.82 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 3g8r s PRO 304 CO 0.17 0.13 0.86 -1.25 0.04 0.00 0.00 177.00 176.94 3g8r s PRO 305 N -4.13 3.55 0.25 0.56 0.04 -1.25 -4.74 135.00 129.27 3g8r s PRO 305 Ca 0.43 0.35 0.06 0.00 0.04 0.00 0.00 61.00 61.88 3g8r s PRO 305 Cb -0.09 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.12 3g8r s PRO 305 CO 0.31 -0.31 0.29 0.14 0.04 0.00 0.00 177.00 177.47 3g8r s VAL 306 N -2.87 4.89 0.48 -0.36 -7.23 -1.26 -4.98 120.40 109.07 3g8r s VAL 306 Ca 0.50 -1.16 -0.24 0.00 -1.81 0.00 0.00 61.98 59.26 3g8r s VAL 306 Cb -0.10 -3.66 -0.07 0.00 0.56 0.00 0.00 36.38 33.11 3g8r s VAL 306 CO 0.47 -0.33 1.32 -0.70 -0.31 0.00 0.00 175.10 175.55 3g8r s GLU 307 N -3.93 3.57 -0.99 4.82 2.12 -1.26 0.29 118.70 123.32 3g8r s GLU 307 Ca 0.34 2.16 -0.04 0.00 0.36 0.00 0.00 54.97 57.79 3g8r s GLU 307 Cb -0.08 -2.49 0.26 0.00 0.26 0.00 0.00 34.13 32.08 3g8r s GLU 307 CO 0.27 -0.82 1.06 0.41 -0.54 0.00 0.00 175.26 175.65 3g8r n GLY 308 N 0.63 4.47 3.77 -1.50 0.00 -1.26 -5.06 105.19 106.24 3g8r n GLY 308 Ca 0.07 -2.63 -0.37 0.00 0.00 0.00 0.00 46.02 43.09 3g8r n GLY 308 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3g8r s GLN 309 N -1.80 3.69 0.26 1.61 0.74 0.15 -1.84 119.66 122.47 3g8r s GLN 309 Ca 0.31 1.79 -0.29 0.00 0.05 0.00 0.00 55.36 57.21 3g8r s GLN 309 Cb -0.03 -2.37 -0.09 0.00 1.10 0.00 0.00 33.01 31.61 3g8r s GLN 309 CO -0.05 -0.61 1.22 -1.17 -0.55 0.00 0.00 175.29 174.14 3g8r s LEU 310 N -3.10 4.47 0.32 3.68 2.96 0.10 -4.72 118.68 122.38 3g8r s LEU 310 Ca 0.65 2.42 0.08 0.00 -0.22 0.00 0.00 54.13 57.05 3g8r s LEU 310 Cb -0.29 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 42.74 3g8r s LEU 310 CO 0.35 -0.38 0.18 0.42 -1.32 0.00 0.00 176.35 175.60 3g8r s THR 311 N -0.69 3.41 0.37 3.68 -4.23 -1.26 -0.50 115.64 116.41 3g8r s THR 311 Ca 0.50 -1.58 0.09 0.00 -1.18 0.00 0.00 61.69 59.52 3g8r s THR 311 Cb -0.35 -3.08 0.12 0.00 1.34 0.00 0.00 72.50 70.53 3g8r s THR 311 CO 0.43 -0.22 1.86 0.00 -0.54 0.00 0.00 174.62 176.15 3g8r h ALA 312 N 1.48 1.41 0.00 3.99 0.00 -0.52 -0.74 119.26 124.87 3g8r h ALA 312 Ca -0.45 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3g8r h ALA 312 Cb 1.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3g8r h ALA 312 CO 0.61 0.41 0.01 0.09 0.00 0.00 0.00 179.25 180.38 3g8r n ASN 313 N -4.20 0.00 0.00 0.00 4.13 -1.26 -0.97 115.26 112.96 3g8r n ASN 313 Ca -0.01 0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.31 3g8r n ASN 313 Cb 0.33 -0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.51 3g8r n ASN 313 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3g8r n GLU 314 N -0.98 -0.21 -2.14 3.52 1.02 -0.29 -5.07 120.64 116.49 3g8r n GLU 314 Ca 0.00 -0.46 -0.28 0.00 -0.02 0.00 0.00 57.16 56.40 3g8r n GLU 314 Cb 0.01 -0.82 0.04 0.00 -0.02 0.00 0.00 31.44 30.65 3g8r n GLU 314 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 3g8r s TRP 315 N -0.11 3.28 0.00 -0.32 -0.11 -0.14 -5.01 118.94 116.53 3g8r s TRP 315 Ca 0.00 0.84 0.00 0.00 1.22 0.00 0.00 56.10 58.16 3g8r s TRP 315 Cb 0.00 -2.91 0.00 0.00 -1.50 0.00 0.00 33.47 29.06 3g8r s TRP 315 CO 0.00 -1.00 0.00 0.45 -4.62 0.00 0.00 176.95 171.78 3g8r n SER 316 N -2.79 0.00 0.00 5.86 2.88 -1.26 -5.04 113.62 113.26 3g8r n SER 316 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 3g8r n SER 316 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 3g8r n SER 316 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3g8r n LYS 317 N 0.00 0.00 -2.38 -1.46 4.81 -1.26 -4.93 118.16 112.93 3g8r n LYS 317 Ca 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.17 3g8r n LYS 317 Cb 0.00 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.07 3g8r n LYS 317 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3g8r s TYR 318 N -0.29 3.36 -0.51 5.64 2.02 -1.26 -4.97 117.35 121.34 3g8r s TYR 318 Ca 0.00 0.76 -0.29 0.00 -0.37 0.00 0.00 57.07 57.17 3g8r s TYR 318 Cb 0.00 -2.65 0.03 0.00 -0.40 0.00 0.00 41.96 38.94 3g8r s TYR 318 CO 0.00 -0.70 1.22 0.08 -1.57 0.00 0.00 175.55 174.58 3g8r s VAL 319 N -2.97 4.06 -0.09 0.71 1.01 -1.26 -4.85 120.40 117.01 3g8r s VAL 319 Ca 0.53 1.02 0.09 0.00 0.00 0.00 0.00 61.98 63.62 3g8r s VAL 319 Cb -0.11 -4.58 -0.13 0.00 0.00 0.00 0.00 36.38 31.57 3g8r s VAL 319 CO 0.46 -1.11 0.05 0.54 0.00 0.00 0.00 175.10 175.04 3g8r n ARG 320 N 8.17 2.19 -4.43 2.72 5.12 -1.26 -4.80 116.66 124.37 3g8r n ARG 320 Ca 0.11 -0.01 -0.20 0.00 -1.93 0.00 0.00 57.85 55.82 3g8r n ARG 320 Cb 0.49 -1.25 -0.14 0.00 -1.16 0.00 0.00 32.46 30.39 3g8r n ARG 320 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3g8r s TYR 321 N -2.29 1.00 0.11 -1.55 2.02 -1.26 -0.26 117.35 115.12 3g8r s TYR 321 Ca -0.05 -0.22 0.06 0.00 -0.37 0.00 0.00 57.07 56.49 3g8r s TYR 321 Cb 0.03 -0.63 -0.04 0.00 -0.40 0.00 0.00 41.96 40.92 3g8r s TYR 321 CO 0.41 -0.01 -0.04 0.95 -1.57 0.00 0.00 175.55 175.28 3g8r s THR 322 N -0.40 3.69 -0.28 -0.71 -4.23 -0.27 -1.35 115.64 112.09 3g8r s THR 322 Ca 0.03 -1.18 -0.29 0.00 -1.18 0.00 0.00 61.69 59.07 3g8r s THR 322 Cb -0.05 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 71.03 3g8r s THR 322 CO -0.00 0.08 1.23 0.00 -0.54 0.00 0.00 174.62 175.39 3g8r s ALA 323 N -1.34 3.45 0.20 3.99 0.00 -0.31 -1.32 121.76 126.44 3g8r s ALA 323 Ca 0.24 0.11 -0.09 0.00 0.00 0.00 0.00 51.96 52.22 3g8r s ALA 323 Cb -0.11 -3.72 0.14 0.00 0.00 0.00 0.00 23.12 19.43 3g8r s ALA 323 CO 0.16 -1.59 1.77 0.87 0.00 0.00 0.00 175.76 176.98 3g8r h LYS 324 N 8.76 1.10 -5.70 0.00 1.57 -1.69 1.72 116.57 122.33 3g8r h LYS 324 Ca -0.24 -0.19 -0.47 0.00 -1.87 0.00 0.00 60.65 57.88 3g8r h LYS 324 Cb 1.09 -0.18 -0.18 0.00 0.08 0.00 0.00 32.23 33.03 3g8r h LYS 324 CO 1.02 0.89 -0.77 0.95 -0.57 0.00 0.00 179.45 180.97 3g8r s THR 325 N -5.60 1.58 0.30 -0.16 -4.23 -1.26 -4.49 115.64 101.79 3g8r s THR 325 Ca -0.13 -1.81 -0.29 0.00 -1.18 0.00 0.00 61.69 58.28 3g8r s THR 325 Cb 0.15 -1.69 -0.10 0.00 1.34 0.00 0.00 72.50 72.20 3g8r s THR 325 CO 0.82 -0.36 1.22 -2.16 -0.54 0.00 0.00 174.62 173.60 3g8r s PRO 326 N -2.71 4.48 -0.21 3.99 0.04 -1.26 -4.54 135.00 134.78 3g8r s PRO 326 Ca 0.12 2.03 -0.08 0.00 0.04 0.00 0.00 61.00 63.11 3g8r s PRO 326 Cb -0.05 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 3g8r s PRO 326 CO 0.05 -0.02 0.08 0.42 0.04 0.00 0.00 177.00 177.58 3g8r s ILE 327 N -1.10 4.77 0.57 0.56 -1.09 0.16 -4.96 121.20 120.11 3g8r s ILE 327 Ca 0.47 -0.03 -0.19 0.00 -2.23 0.00 0.00 60.65 58.68 3g8r s ILE 327 Cb -0.36 -3.19 -0.05 0.00 -1.58 0.00 0.00 42.46 37.28 3g8r s ILE 327 CO 0.47 0.40 1.14 0.00 -1.23 0.00 0.00 174.94 175.73 3g8r s ALA 328 N 0.83 2.64 0.57 9.38 0.00 -1.26 -1.12 121.76 132.79 3g8r s ALA 328 Ca 0.04 0.82 -0.21 0.00 0.00 0.00 0.00 51.96 52.61 3g8r s ALA 328 Cb -0.13 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3g8r s ALA 328 CO 0.02 -0.90 1.36 0.00 0.00 0.00 0.00 175.76 176.24 3g8r s ALA 329 N -1.82 2.73 -0.21 0.00 0.00 -1.26 -2.40 121.76 118.80 3g8r s ALA 329 Ca 0.73 1.33 0.00 0.00 0.00 0.00 0.00 51.96 54.02 3g8r s ALA 329 Cb -0.24 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.30 3g8r s ALA 329 CO 0.30 -1.45 0.00 -0.25 0.00 0.00 0.00 175.76 174.35 3g8r n ASP 330 N -1.22 -5.42 -4.90 0.00 10.43 0.93 -4.90 116.55 111.46 3g8r n ASP 330 Ca 0.12 0.05 -0.30 0.00 2.57 0.00 0.00 54.79 57.22 3g8r n ASP 330 Cb 0.45 -3.10 -0.04 0.00 1.84 0.00 0.00 41.12 40.27 3g8r n ASP 330 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3g8r s ALA 331 N -1.35 3.65 0.18 2.24 0.00 -1.01 -4.79 121.76 120.69 3g8r s ALA 331 Ca 0.00 -0.49 -0.30 0.00 0.00 0.00 0.00 51.96 51.17 3g8r s ALA 331 Cb 0.00 -2.29 -0.09 0.00 0.00 0.00 0.00 23.12 20.75 3g8r s ALA 331 CO 0.00 0.42 1.32 -1.25 0.00 0.00 0.00 175.76 176.25 3g8r s PRO 332 N -3.14 4.37 0.83 0.00 0.04 -1.26 -0.98 135.00 134.87 3g8r s PRO 332 Ca 0.44 2.06 -0.14 0.00 0.04 0.00 0.00 61.00 63.39 3g8r s PRO 332 Cb -0.11 -3.21 0.19 0.00 0.04 0.00 0.00 34.50 31.42 3g8r s PRO 332 CO 0.26 -0.29 1.13 0.28 0.04 0.00 0.00 177.00 178.42 3g8r n VAL 333 N 2.88 0.00 0.00 -0.36 0.31 -0.40 -4.86 118.33 115.90 3g8r n VAL 333 Ca 0.07 -0.82 0.00 0.00 -0.01 0.00 0.00 64.34 63.58 3g8r n VAL 333 Cb 0.43 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 3g8r n VAL 333 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g8r n ALA 335 N -3.74 1.34 0.50 3.52 0.00 -0.77 0.02 120.51 121.39 3g8r n ALA 335 Ca -0.18 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.32 3g8r n ALA 335 Cb 0.49 0.06 0.30 0.00 0.00 0.00 0.00 19.45 20.30 3g8r n ALA 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g8r n ALA 336 N -1.08 1.66 -0.94 0.00 0.00 -1.26 -3.04 120.51 115.85 3g8r n ALA 336 Ca 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.45 3g8r n ALA 336 Cb 0.11 -1.22 0.38 0.00 0.00 0.00 0.00 19.45 18.72 3g8r n ALA 336 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3g8r n ASP 337 N -1.46 5.45 -3.98 0.00 9.92 -1.26 -4.95 116.55 120.28 3g8r n ASP 337 Ca 0.04 -2.98 -0.20 0.00 -0.53 0.00 0.00 54.79 51.12 3g8r n ASP 337 Cb 0.15 -0.68 -0.16 0.00 -0.64 0.00 0.00 41.12 39.80 3g8r n ASP 337 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3g8r s LEU 338 N -2.81 1.72 -0.17 0.64 1.43 -1.17 -1.77 118.68 116.54 3g8r s LEU 338 Ca 0.53 -0.17 -0.10 0.00 -1.03 0.00 0.00 54.13 53.37 3g8r s LEU 338 Cb 0.41 -0.51 -0.05 0.00 0.03 0.00 0.00 46.19 46.07 3g8r s LEU 338 CO 0.15 0.04 0.15 -0.70 0.23 0.00 0.00 176.35 176.22 3g8r s GLU 339 N 0.31 4.02 0.57 1.70 2.12 -0.43 -4.89 118.70 122.10 3g8r s GLU 339 Ca -0.05 -0.15 -0.16 0.00 0.36 0.00 0.00 54.97 54.97 3g8r s GLU 339 Cb -0.09 -3.37 -0.05 0.00 0.26 0.00 0.00 34.13 30.88 3g8r s GLU 339 CO 0.00 0.41 1.03 -2.14 -0.54 0.00 0.00 175.26 174.02 3g8r s PRO 340 N 0.03 3.54 0.00 4.30 0.02 -1.26 -1.12 135.00 140.52 3g8r s PRO 340 Ca 0.11 1.08 0.00 0.00 0.02 0.00 0.00 61.00 62.21 3g8r s PRO 340 Cb -0.12 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.33 3g8r s PRO 340 CO 0.00 -0.62 0.39 0.28 -0.33 0.00 0.00 177.00 176.73