#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ies h ALA 4 N 0.00 1.88 -0.03 -1.67 0.00 -2.04 0.13 119.26 117.53 3ies h ALA 4 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3ies h ALA 4 Cb 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ies h ALA 4 CO 0.00 -0.21 0.11 -0.22 0.00 0.00 0.00 179.25 178.93 3ies h LYS 5 N 0.64 0.00 -0.42 0.00 3.64 -2.04 -0.27 116.57 118.13 3ies h LYS 5 Ca 0.53 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.91 3ies h LYS 5 Cb 0.98 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 3ies h LYS 5 CO -0.29 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 176.98 3ies n ASN 6 N -3.23 3.36 -4.38 4.20 5.03 0.43 -4.79 115.26 115.87 3ies n ASN 6 Ca -0.02 -1.95 -0.39 0.00 0.87 0.00 0.00 54.58 53.09 3ies n ASN 6 Cb 0.18 -0.27 -0.12 0.00 -1.02 0.00 0.00 39.78 38.55 3ies n ASN 6 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3ies s ILE 7 N -1.27 4.33 0.02 2.41 -1.09 -0.11 -4.71 121.20 120.77 3ies s ILE 7 Ca 0.36 -0.66 -0.27 0.00 -2.23 0.00 0.00 60.65 57.85 3ies s ILE 7 Cb 0.21 -3.28 -0.04 0.00 -1.58 0.00 0.00 42.46 37.76 3ies s ILE 7 CO 0.28 -0.02 0.85 -0.54 -1.23 0.00 0.00 174.94 174.28 3ies s LYS 8 N 1.55 4.54 0.01 2.79 -0.14 -0.12 -4.89 119.74 123.46 3ies s LYS 8 Ca 0.03 1.19 0.08 0.00 -1.36 0.00 0.00 55.97 55.91 3ies s LYS 8 Cb -0.18 -3.41 -0.02 0.00 -1.68 0.00 0.00 37.83 32.54 3ies s LYS 8 CO 0.05 0.13 -0.24 0.15 -0.76 0.00 0.00 175.35 174.68 3ies s LYS 9 N 0.45 1.83 0.64 1.68 3.01 -1.26 -0.32 119.74 125.77 3ies s LYS 9 Ca 0.44 -0.93 -0.14 0.00 -1.01 0.00 0.00 55.97 54.32 3ies s LYS 9 Cb -0.20 -1.85 -0.01 0.00 -1.01 0.00 0.00 37.83 34.75 3ies s LYS 9 CO 0.24 0.50 1.06 0.20 0.51 0.00 0.00 175.35 177.86 3ies s GLY 10 N -0.82 1.93 0.73 -3.33 0.00 -0.79 -4.87 107.32 100.17 3ies s GLY 10 Ca 0.10 0.28 -0.12 0.00 0.00 0.00 0.00 44.72 44.97 3ies s GLY 10 CO 0.00 0.60 0.94 -1.55 0.00 0.00 0.00 173.10 173.09 3ies n PRO 11 N -2.53 -1.16 -1.96 2.90 -0.04 -1.26 -4.57 135.00 126.37 3ies n PRO 11 Ca 0.08 -1.45 -0.41 0.00 -0.04 0.00 0.00 63.50 61.68 3ies n PRO 11 Cb 0.53 -1.02 -0.01 0.00 -0.04 0.00 0.00 33.50 32.96 3ies n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ies s ALA 12 N -3.84 3.56 0.36 0.55 0.00 -1.26 -4.08 121.76 117.05 3ies s ALA 12 Ca 0.54 1.41 -0.28 0.00 0.00 0.00 0.00 51.96 53.63 3ies s ALA 12 Cb -0.02 -3.55 -0.11 0.00 0.00 0.00 0.00 23.12 19.43 3ies s ALA 12 CO 0.38 -0.84 1.44 -0.35 0.00 0.00 0.00 175.76 176.40 3ies n PRO 13 N 1.01 2.51 -0.29 0.00 -0.04 -1.26 -4.87 135.00 132.07 3ies n PRO 13 Ca 0.02 0.88 0.03 0.00 -0.04 0.00 0.00 63.50 64.40 3ies n PRO 13 Cb 0.40 -2.57 0.17 0.00 -0.04 0.00 0.00 33.50 31.46 3ies n PRO 13 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 3ies h PHE 14 N 2.97 0.82 -3.89 0.54 3.57 -1.92 -3.39 116.94 115.63 3ies h PHE 14 Ca -0.49 0.03 -0.68 0.00 3.53 0.00 0.00 57.97 60.36 3ies h PHE 14 Cb 1.25 -0.24 -0.25 0.00 2.79 0.00 0.00 35.95 39.50 3ies h PHE 14 CO 0.53 0.31 -0.78 0.71 -2.23 0.00 0.00 178.31 176.84 3ies s TYR 15 N -6.02 2.69 0.74 0.41 1.51 -1.26 -5.11 117.35 110.32 3ies s TYR 15 Ca -0.12 -0.32 -0.15 0.00 -1.01 0.00 0.00 57.07 55.46 3ies s TYR 15 Cb 0.20 -1.67 0.04 0.00 -0.11 0.00 0.00 41.96 40.41 3ies s TYR 15 CO 0.78 0.06 1.19 -0.35 -1.11 0.00 0.00 175.55 176.12 3ies n PRO 16 N 2.64 0.54 -1.82 -1.71 -0.04 -1.26 -4.88 135.00 128.47 3ies n PRO 16 Ca -0.17 0.25 -0.42 0.00 -0.04 0.00 0.00 63.50 63.11 3ies n PRO 16 Cb 0.52 -2.43 -0.03 0.00 -0.04 0.00 0.00 33.50 31.52 3ies n PRO 16 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3ies s LEU 17 N -4.79 4.13 0.45 1.53 2.96 -1.26 -4.98 118.68 116.73 3ies s LEU 17 Ca 0.76 2.24 -0.24 0.00 -0.22 0.00 0.00 54.13 56.67 3ies s LEU 17 Cb -0.33 -3.53 -0.07 0.00 0.50 0.00 0.00 46.19 42.76 3ies s LEU 17 CO 0.47 -1.23 1.30 -1.61 -1.32 0.00 0.00 176.35 173.97 3ies s GLU 18 N 4.75 3.71 0.85 1.98 2.02 -1.26 -5.04 118.70 125.70 3ies s GLU 18 Ca 0.84 2.13 -0.12 0.00 0.02 0.00 0.00 54.97 57.84 3ies s GLU 18 Cb -0.36 -2.56 0.10 0.00 0.10 0.00 0.00 34.13 31.41 3ies s GLU 18 CO 0.35 -0.70 1.11 -0.51 0.02 0.00 0.00 175.26 175.54 3ies s ASP 19 N -0.89 4.07 0.00 -0.19 1.01 -1.26 -4.98 116.67 114.43 3ies s ASP 19 Ca 0.62 1.16 0.00 0.00 0.71 0.00 0.00 52.55 55.03 3ies s ASP 19 Cb -0.37 -1.82 0.00 0.00 1.01 0.00 0.00 42.92 41.74 3ies s ASP 19 CO 0.47 -2.22 0.00 0.61 0.21 0.00 0.00 175.17 174.23 3ies n GLY 20 N -2.15 1.72 3.81 0.21 0.00 -1.26 -4.85 105.19 102.66 3ies n GLY 20 Ca 0.07 -1.97 -0.29 0.00 0.00 0.00 0.00 46.02 43.83 3ies n GLY 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ies s THR 21 N -2.34 2.04 0.30 2.61 -4.23 -1.26 -4.85 115.64 107.91 3ies s THR 21 Ca 0.00 0.01 -0.02 0.00 -1.18 0.00 0.00 61.69 60.51 3ies s THR 21 Cb 0.00 -2.80 0.23 0.00 1.34 0.00 0.00 72.50 71.26 3ies s THR 21 CO 0.00 -0.02 1.93 0.00 -0.54 0.00 0.00 174.62 175.99 3ies h ALA 22 N -1.41 1.36 -0.38 3.99 0.00 -1.90 -1.54 119.26 119.37 3ies h ALA 22 Ca -0.50 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 3ies h ALA 22 Cb 1.33 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3ies h ALA 22 CO 0.63 0.53 0.22 0.78 0.00 0.00 0.00 179.25 181.41 3ies h GLY 23 N 1.04 0.55 1.30 0.00 0.00 -1.92 -1.38 103.07 102.66 3ies h GLY 23 Ca 0.26 -0.23 -0.09 0.00 0.00 0.00 0.00 47.33 47.26 3ies h GLY 23 CO -0.04 0.23 -0.09 0.83 0.00 0.00 0.00 176.54 177.47 3ies h GLU 24 N 0.49 0.83 -0.28 4.80 5.08 -1.73 0.99 114.58 124.76 3ies h GLU 24 Ca 0.14 -0.27 -0.11 0.00 -1.00 0.00 0.00 59.36 58.12 3ies h GLU 24 Cb 0.01 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3ies h GLU 24 CO -0.02 0.89 -0.24 1.96 -1.00 0.00 0.00 179.01 180.60 3ies h GLN 25 N 0.75 0.66 -0.61 2.33 4.20 -1.10 -0.79 115.11 120.56 3ies h GLN 25 Ca 0.13 -0.33 -0.08 0.00 0.06 0.00 0.00 58.65 58.43 3ies h GLN 25 Cb 0.58 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 3ies h GLN 25 CO 0.04 0.94 0.07 -0.07 -0.67 0.00 0.00 178.83 179.13 3ies h LEU 26 N 0.40 0.99 -0.27 1.46 3.38 -1.17 -2.30 115.31 117.80 3ies h LEU 26 Ca 0.05 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3ies h LEU 26 Cb 0.79 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3ies h LEU 26 CO 0.06 1.02 0.17 -0.74 0.09 0.00 0.00 178.44 179.04 3ies h HIS 27 N 0.93 0.34 -0.33 1.13 2.76 -0.71 -1.05 115.15 118.23 3ies h HIS 27 Ca 0.18 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.33 3ies h HIS 27 Cb 0.47 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.30 3ies h HIS 27 CO 0.03 0.22 0.11 -0.22 -1.30 0.00 0.00 177.93 176.78 3ies h LYS 28 N 0.36 0.50 -0.00 5.26 3.64 -1.08 -0.85 116.57 124.40 3ies h LYS 28 Ca 0.10 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3ies h LYS 28 Cb -0.03 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 3ies h LYS 28 CO -0.02 0.53 0.00 0.00 -2.27 0.00 0.00 179.45 177.69 3ies h ALA 29 N 0.95 0.00 0.00 5.00 0.00 -1.34 -2.98 119.26 120.88 3ies h ALA 29 Ca 0.11 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3ies h ALA 29 Cb 0.23 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3ies h ALA 29 CO -0.00 -0.40 -0.26 0.52 0.00 0.00 0.00 179.25 179.11 3ies h MET 30 N -0.20 0.00 -0.71 0.00 2.86 -1.12 -1.59 114.93 114.17 3ies h MET 30 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3ies h MET 30 Cb 0.20 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 3ies h MET 30 CO -0.00 0.26 0.25 -0.22 1.06 0.00 0.00 176.91 178.25 3ies h LYS 31 N 0.00 1.08 -0.30 1.72 3.64 -1.08 -0.54 116.57 121.09 3ies h LYS 31 Ca -0.00 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.14 3ies h LYS 31 Cb 0.47 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3ies h LYS 31 CO 0.03 0.90 0.07 -0.09 -2.27 0.00 0.00 179.45 178.10 3ies h ARG 32 N 1.05 0.48 -0.28 1.90 2.43 -1.15 -2.94 114.38 115.87 3ies h ARG 32 Ca 0.23 -0.12 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 3ies h ARG 32 Cb 0.26 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3ies h ARG 32 CO -0.01 0.56 -0.24 1.88 -1.51 0.00 0.00 179.97 180.64 3ies h TYR 33 N 0.32 0.60 -0.02 2.20 0.05 -1.27 -2.71 116.97 116.14 3ies h TYR 33 Ca 0.09 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.75 3ies h TYR 33 Cb 0.29 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 37.88 3ies h TYR 33 CO 0.01 0.73 0.01 0.00 -1.05 0.00 0.00 178.16 177.87 3ies h ALA 34 N 1.27 1.72 -0.01 3.88 0.00 -0.95 -1.75 119.26 123.41 3ies h ALA 34 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ies h ALA 34 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3ies h ALA 34 CO 0.05 -0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.56 3ies n LEU 35 N -4.10 0.56 -4.10 0.00 4.77 -1.02 -4.24 117.00 108.87 3ies n LEU 35 Ca -0.03 -0.19 -0.34 0.00 -0.03 0.00 0.00 56.01 55.42 3ies n LEU 35 Cb 0.10 -0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.06 3ies n LEU 35 CO 0.30 0.09 -0.28 -0.69 -1.33 0.00 0.00 177.39 175.48 3ies s VAL 36 N -1.99 2.87 0.36 4.08 1.01 -0.66 -5.09 120.40 120.98 3ies s VAL 36 Ca 0.43 -1.93 -0.28 0.00 0.00 0.00 0.00 61.98 60.20 3ies s VAL 36 Cb 0.21 -2.90 -0.11 0.00 0.00 0.00 0.00 36.38 33.58 3ies s VAL 36 CO 0.35 -0.47 1.44 -2.84 0.00 0.00 0.00 175.10 173.58 3ies s PRO 37 N 1.10 4.18 0.00 2.72 0.02 -1.26 -2.60 135.00 139.16 3ies s PRO 37 Ca 0.04 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.53 3ies s PRO 37 Cb -0.21 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.31 3ies s PRO 37 CO -0.04 -0.44 0.00 0.41 -0.33 0.00 0.00 177.00 176.60 3ies n GLY 38 N 0.60 1.20 3.66 0.52 0.00 -1.26 -5.01 105.19 104.90 3ies n GLY 38 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 3ies n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ies s THR 39 N -3.04 3.92 -0.20 2.61 2.01 -1.07 -4.96 115.64 114.91 3ies s THR 39 Ca 0.00 1.11 -0.21 0.00 0.31 0.00 0.00 61.69 62.90 3ies s THR 39 Cb 0.00 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 3ies s THR 39 CO 0.00 -0.10 0.63 -0.63 -0.69 0.00 0.00 174.62 173.84 3ies s ILE 40 N 3.76 5.01 -0.19 1.82 1.01 -1.26 -0.35 121.20 131.00 3ies s ILE 40 Ca 0.64 1.19 -0.19 0.00 0.00 0.00 0.00 60.65 62.29 3ies s ILE 40 Cb -0.28 -3.95 -0.16 0.00 0.01 0.00 0.00 42.46 38.09 3ies s ILE 40 CO 0.22 0.10 0.16 0.00 0.00 0.00 0.00 174.94 175.43 3ies h ALA 41 N 7.52 0.19 -3.38 9.38 0.00 -1.18 -3.26 119.26 128.52 3ies h ALA 41 Ca -0.31 -1.01 -0.32 0.00 0.00 0.00 0.00 54.91 53.28 3ies h ALA 41 Cb 1.14 0.64 -0.23 0.00 0.00 0.00 0.00 17.79 19.34 3ies h ALA 41 CO 0.77 0.61 -0.75 -0.06 0.00 0.00 0.00 179.25 179.82 3ies s PHE 42 N -2.31 0.77 -0.05 0.00 0.40 -1.01 -0.72 117.98 115.06 3ies s PHE 42 Ca -0.25 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 55.68 3ies s PHE 42 Cb 0.04 -0.46 0.02 0.00 0.51 0.00 0.00 43.02 43.14 3ies s PHE 42 CO 0.51 -0.04 -0.05 0.99 0.70 0.00 0.00 175.22 177.33 3ies s THR 43 N -1.10 0.59 -0.40 0.64 2.01 -0.42 -0.73 115.64 116.23 3ies s THR 43 Ca -0.06 -0.14 -0.20 0.00 0.31 0.00 0.00 61.69 61.61 3ies s THR 43 Cb -0.08 -0.62 0.01 0.00 0.01 0.00 0.00 72.50 71.82 3ies s THR 43 CO 0.01 0.25 0.60 -0.62 -0.69 0.00 0.00 174.62 174.16 3ies s ASP 44 N 1.02 6.33 0.54 3.53 -1.08 -0.55 -0.32 116.67 126.14 3ies s ASP 44 Ca -0.09 -0.20 0.32 0.00 -0.52 0.00 0.00 52.55 52.06 3ies s ASP 44 Cb -0.14 -2.30 1.45 0.00 -1.46 0.00 0.00 42.92 40.47 3ies s ASP 44 CO -0.00 -0.66 2.03 0.00 0.52 0.00 0.00 175.17 177.05 3ies h ALA 45 N 8.69 1.07 0.12 3.66 0.00 -1.66 0.50 119.26 131.63 3ies h ALA 45 Ca -0.26 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.41 3ies h ALA 45 Cb 1.11 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.90 3ies h ALA 45 CO 0.85 0.09 -0.76 0.45 0.00 0.00 0.00 179.25 179.88 3ies h HIS 46 N 0.00 0.54 -0.01 0.00 3.86 -1.92 -3.37 115.15 114.25 3ies h HIS 46 Ca -0.00 -0.38 0.00 0.00 -1.16 0.00 0.00 60.37 58.83 3ies h HIS 46 Cb 0.45 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.89 3ies h HIS 46 CO 0.00 1.28 -0.52 0.44 0.86 0.00 0.00 177.93 179.99 3ies n ILE 47 N -4.15 0.00 -0.88 2.45 -5.35 -1.18 -4.99 119.36 105.26 3ies n ILE 47 Ca -0.13 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 3ies n ILE 47 Cb 0.79 1.14 0.00 0.00 -1.74 0.00 0.00 39.64 39.83 3ies n ILE 47 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3ies n GLU 48 N -0.55 0.00 -2.67 6.28 1.02 0.17 -4.99 120.64 119.90 3ies n GLU 48 Ca 0.06 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.80 3ies n GLU 48 Cb 0.33 -2.70 -0.05 0.00 -0.02 0.00 0.00 31.44 29.00 3ies n GLU 48 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3ies s VAL 49 N -3.57 3.97 0.01 2.62 1.01 -1.22 -4.78 120.40 118.44 3ies s VAL 49 Ca 0.00 1.93 0.01 0.00 0.00 0.00 0.00 61.98 63.91 3ies s VAL 49 Cb 0.00 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 3ies s VAL 49 CO 0.00 0.44 0.06 0.20 0.00 0.00 0.00 175.10 175.80 3ies s ASN 50 N -0.92 5.52 -0.06 3.32 0.01 -1.26 -1.48 114.94 120.07 3ies s ASN 50 Ca 0.43 0.08 0.02 0.00 -0.71 0.00 0.00 52.86 52.68 3ies s ASN 50 Cb -0.27 -1.53 0.01 0.00 0.41 0.00 0.00 41.25 39.87 3ies s ASN 50 CO 0.34 0.26 -0.11 -0.51 -1.51 0.00 0.00 177.10 175.56 3ies s ILE 51 N -1.20 1.03 0.65 0.60 2.07 0.09 -5.01 121.20 119.43 3ies s ILE 51 Ca 0.23 -0.43 -0.08 0.00 -1.41 0.00 0.00 60.65 58.96 3ies s ILE 51 Cb -0.12 -0.94 0.02 0.00 0.13 0.00 0.00 42.46 41.55 3ies s ILE 51 CO 0.14 0.33 0.99 0.42 -1.91 0.00 0.00 174.94 174.91 3ies s THR 52 N 0.59 3.24 0.32 4.00 -4.23 -1.26 -0.80 115.64 117.51 3ies s THR 52 Ca -0.12 0.06 0.01 0.00 -1.18 0.00 0.00 61.69 60.46 3ies s THR 52 Cb -0.14 -3.34 0.22 0.00 1.34 0.00 0.00 72.50 70.58 3ies s THR 52 CO 0.03 -0.39 1.94 1.88 -0.54 0.00 0.00 174.62 177.54 3ies h TYR 53 N -0.43 0.82 -0.15 3.99 -1.99 -1.00 -1.05 116.97 117.16 3ies h TYR 53 Ca -0.45 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.26 3ies h TYR 53 Cb 1.27 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 39.73 3ies h TYR 53 CO 0.44 0.58 0.08 0.00 -0.00 0.00 0.00 178.16 179.26 3ies h ALA 54 N 1.51 0.19 -0.86 3.88 0.00 -1.82 0.17 119.26 122.33 3ies h ALA 54 Ca 0.21 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3ies h ALA 54 Cb 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3ies h ALA 54 CO -0.03 -0.26 0.53 0.93 0.00 0.00 0.00 179.25 180.41 3ies h GLU 55 N 0.13 1.16 -0.06 0.00 5.08 -1.86 -1.33 114.58 117.70 3ies h GLU 55 Ca 0.05 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3ies h GLU 55 Cb 0.10 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 3ies h GLU 55 CO -0.01 0.81 -0.03 -0.92 -1.00 0.00 0.00 179.01 177.86 3ies h TYR 56 N 1.18 0.14 0.16 4.33 5.03 -0.75 -1.10 116.97 125.95 3ies h TYR 56 Ca 0.31 -0.04 0.01 0.00 2.58 0.00 0.00 58.73 61.59 3ies h TYR 56 Cb -0.06 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.17 3ies h TYR 56 CO -0.00 0.51 -0.19 0.35 -1.32 0.00 0.00 178.16 177.51 3ies h PHE 57 N -0.27 -0.49 -0.55 -3.82 3.57 -0.69 0.26 116.94 114.95 3ies h PHE 57 Ca 0.01 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3ies h PHE 57 Cb 0.48 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 3ies h PHE 57 CO 0.07 -0.28 0.32 0.93 -2.23 0.00 0.00 178.31 177.12 3ies h GLU 58 N -0.39 0.75 -0.26 1.11 5.08 -1.20 -0.30 114.58 119.37 3ies h GLU 58 Ca 0.01 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.16 3ies h GLU 58 Cb 0.38 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3ies h GLU 58 CO -0.07 0.55 -0.40 1.98 -1.00 0.00 0.00 179.01 180.08 3ies h MET 59 N 0.74 0.62 -0.51 2.33 4.05 -1.09 -1.11 114.93 119.95 3ies h MET 59 Ca 0.20 -0.32 -0.08 0.00 -0.28 0.00 0.00 59.70 59.22 3ies h MET 59 Cb 0.00 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.79 3ies h MET 59 CO -0.04 0.91 0.01 0.77 0.23 0.00 0.00 176.91 178.79 3ies h SER 60 N 0.51 0.88 -0.28 1.39 0.02 -0.68 0.01 113.55 115.41 3ies h SER 60 Ca 0.04 -0.30 -0.02 0.00 -0.84 0.00 0.00 61.79 60.67 3ies h SER 60 Cb 0.91 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 3ies h SER 60 CO 0.08 0.97 0.11 0.58 -1.14 0.00 0.00 176.83 177.43 3ies h VAL 61 N 0.76 1.17 -0.73 2.27 2.07 -0.99 -0.81 116.25 119.99 3ies h VAL 61 Ca 0.15 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3ies h VAL 61 Cb 0.51 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 3ies h VAL 61 CO 0.03 0.18 0.47 0.03 0.02 0.00 0.00 177.57 178.30 3ies h ARG 62 N 0.30 0.97 -0.21 1.57 3.08 -1.07 -0.30 114.38 118.72 3ies h ARG 62 Ca 0.09 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 59.93 3ies h ARG 62 Cb 0.18 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3ies h ARG 62 CO -0.01 0.66 -0.48 -0.07 -1.07 0.00 0.00 179.97 179.00 3ies h LEU 63 N 1.00 0.61 0.04 3.04 3.38 -0.75 -1.09 115.31 121.54 3ies h LEU 63 Ca 0.27 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3ies h LEU 63 Cb -0.09 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.48 3ies h LEU 63 CO -0.06 1.00 -0.02 0.00 0.09 0.00 0.00 178.44 179.45 3ies h ALA 64 N 1.02 -0.05 -0.52 1.53 0.00 -0.54 -0.67 119.26 120.04 3ies h ALA 64 Ca 0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3ies h ALA 64 Cb 1.01 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3ies h ALA 64 CO 0.09 -0.50 0.09 1.49 0.00 0.00 0.00 179.25 180.42 3ies h GLU 65 N -0.09 0.86 -0.51 0.00 4.57 -1.04 -1.60 114.58 116.76 3ies h GLU 65 Ca -0.00 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 57.93 3ies h GLU 65 Cb 0.08 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 3ies h GLU 65 CO 0.01 0.84 0.26 0.00 -1.18 0.00 0.00 179.01 178.94 3ies h ALA 66 N 0.98 0.66 -0.76 2.92 0.00 -1.13 0.86 119.26 122.78 3ies h ALA 66 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ies h ALA 66 Cb 0.39 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3ies h ALA 66 CO 0.01 0.20 0.49 0.52 0.00 0.00 0.00 179.25 180.47 3ies h MET 67 N 0.68 1.02 -0.38 0.00 2.86 -0.95 0.17 114.93 118.33 3ies h MET 67 Ca 0.18 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 3ies h MET 67 Cb 0.09 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 3ies h MET 67 CO -0.03 0.69 0.20 -0.22 1.06 0.00 0.00 176.91 178.61 3ies h LYS 68 N 1.04 0.54 -0.09 1.72 3.64 -0.88 -0.63 116.57 121.90 3ies h LYS 68 Ca 0.28 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.49 3ies h LYS 68 Cb -0.09 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 3ies h LYS 68 CO -0.06 0.46 -0.37 0.00 -2.27 0.00 0.00 179.45 177.21 3ies h ARG 69 N 0.48 0.19 0.00 1.90 2.47 -0.42 -1.35 114.38 117.64 3ies h ARG 69 Ca 0.13 -0.08 -0.03 0.00 -1.26 0.00 0.00 59.98 58.74 3ies h ARG 69 Cb 0.09 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.40 3ies h ARG 69 CO -0.02 0.54 -0.15 -0.92 0.56 0.00 0.00 179.97 179.98 3ies h TYR 70 N 0.16 0.00 0.00 3.04 3.20 -0.39 -3.46 116.97 119.52 3ies h TYR 70 Ca 0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3ies h TYR 70 Cb 0.74 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.01 3ies h TYR 70 CO 0.01 0.15 0.00 0.41 -1.64 0.00 0.00 178.16 177.09 3ies n GLY 71 N -0.73 1.36 3.74 1.82 0.00 -0.51 -5.09 105.19 105.78 3ies n GLY 71 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 3ies n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ies s LEU 72 N 0.00 4.59 0.00 0.99 1.43 -0.29 -5.00 118.68 120.40 3ies s LEU 72 Ca 0.00 1.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.99 3ies s LEU 72 Cb 0.00 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.62 3ies s LEU 72 CO 0.00 0.06 0.00 -0.46 0.23 0.00 0.00 176.35 176.18 3ies n ASN 73 N 2.02 0.00 0.00 2.29 0.23 -1.26 -4.27 115.26 114.27 3ies n ASN 73 Ca -0.00 -0.78 0.01 0.00 -0.53 0.00 0.00 54.58 53.29 3ies n ASN 73 Cb 0.48 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.24 3ies n ASN 73 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3ies n THR 74 N 0.00 1.83 1.70 5.53 -2.24 -1.26 -1.44 114.28 118.41 3ies n THR 74 Ca 0.00 0.47 0.15 0.00 -2.27 0.00 0.00 64.05 62.40 3ies n THR 74 Cb 0.00 -1.43 0.70 0.00 -2.10 0.00 0.00 70.33 67.50 3ies n THR 74 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3ies n ASN 75 N -1.52 0.87 -4.56 3.42 3.02 -1.26 -4.82 115.26 110.41 3ies n ASN 75 Ca 0.00 -1.29 -0.24 0.00 -0.03 0.00 0.00 54.58 53.03 3ies n ASN 75 Cb 0.03 -0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.11 3ies n ASN 75 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3ies s HIS 76 N -2.00 2.50 0.15 3.10 3.76 -0.52 -5.09 115.29 117.18 3ies s HIS 76 Ca 0.42 -0.28 0.09 0.00 -0.15 0.00 0.00 55.06 55.14 3ies s HIS 76 Cb 0.21 -1.11 -0.04 0.00 1.11 0.00 0.00 32.58 32.75 3ies s HIS 76 CO 0.35 0.66 -0.20 1.03 -0.85 0.00 0.00 174.74 175.74 3ies s ARG 77 N -3.60 1.26 0.19 1.40 0.52 -1.26 -2.90 118.95 114.56 3ies s ARG 77 Ca 0.31 -1.36 0.10 0.00 -0.52 0.00 0.00 55.73 54.27 3ies s ARG 77 Cb -0.06 -1.40 -0.04 0.00 0.52 0.00 0.00 34.95 33.97 3ies s ARG 77 CO 0.18 0.30 -0.19 0.96 0.02 0.00 0.00 175.30 176.56 3ies s ILE 78 N -1.78 2.65 -0.01 1.52 -4.36 -0.31 -1.17 121.20 117.74 3ies s ILE 78 Ca 0.14 -1.89 -0.00 0.00 -0.26 0.00 0.00 60.65 58.64 3ies s ILE 78 Cb -0.07 -2.28 -0.04 0.00 1.25 0.00 0.00 42.46 41.32 3ies s ILE 78 CO 0.06 -0.11 0.06 -0.69 0.24 0.00 0.00 174.94 174.51 3ies s VAL 79 N -1.66 4.60 -0.20 8.37 1.01 -0.72 -0.88 120.40 130.93 3ies s VAL 79 Ca 0.22 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.77 3ies s VAL 79 Cb -0.08 -3.09 0.04 0.00 0.00 0.00 0.00 36.38 33.25 3ies s VAL 79 CO 0.12 0.37 -0.12 -0.69 0.00 0.00 0.00 175.10 174.77 3ies s VAL 80 N -1.16 1.75 -0.31 2.92 1.01 -1.06 -0.57 120.40 122.97 3ies s VAL 80 Ca 0.22 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.21 3ies s VAL 80 Cb -0.12 -1.76 0.09 0.00 0.00 0.00 0.00 36.38 34.59 3ies s VAL 80 CO 0.13 0.25 0.04 0.00 0.00 0.00 0.00 175.10 175.51 3ies s SER 82 N 1.15 -0.51 0.94 0.00 0.15 -1.26 -1.85 113.70 112.33 3ies s SER 82 Ca 0.07 0.92 -0.12 0.00 0.70 0.00 0.00 55.95 57.53 3ies s SER 82 Cb -0.19 0.91 0.10 0.00 -1.71 0.00 0.00 66.02 65.13 3ies s SER 82 CO -0.12 -0.21 0.75 -1.84 1.20 0.00 0.00 173.24 173.03 3ies n GLU 83 N 2.09 -0.45 -1.64 5.44 0.00 -1.26 -4.70 120.64 120.12 3ies n GLU 83 Ca -0.13 -0.08 -0.46 0.00 0.00 0.00 0.00 57.16 56.50 3ies n GLU 83 Cb 0.56 -2.10 -0.03 0.00 0.00 0.00 0.00 31.44 29.87 3ies n GLU 83 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3ies n ASN 84 N -2.76 2.23 -3.62 -1.84 4.13 -1.26 -4.86 115.26 107.29 3ies n ASN 84 Ca 0.09 1.15 -0.08 0.00 1.68 0.00 0.00 54.58 57.42 3ies n ASN 84 Cb 0.53 -1.36 -0.02 0.00 -1.54 0.00 0.00 39.78 37.39 3ies n ASN 84 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3ies s SER 85 N 0.09 -0.37 0.51 6.41 1.04 -1.26 -4.65 113.70 115.47 3ies s SER 85 Ca 0.68 -0.23 0.17 0.00 0.48 0.00 0.00 55.95 57.04 3ies s SER 85 Cb -0.70 0.56 1.25 0.00 0.10 0.00 0.00 66.02 67.23 3ies s SER 85 CO 0.52 -0.98 2.10 -0.07 0.98 0.00 0.00 173.24 175.80 3ies h LEU 86 N 2.00 0.06 0.00 2.42 3.38 -1.95 -2.92 115.31 118.30 3ies h LEU 86 Ca -0.26 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3ies h LEU 86 Cb 1.26 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3ies h LEU 86 CO 0.30 0.04 -0.58 0.00 0.09 0.00 0.00 178.44 178.29 3ies n GLN 87 N -4.49 0.15 -0.18 1.13 3.00 -1.26 -4.52 117.38 111.21 3ies n GLN 87 Ca 0.01 0.04 -0.01 0.00 -0.01 0.00 0.00 57.00 57.03 3ies n GLN 87 Cb 0.22 -1.59 0.08 0.00 0.00 0.00 0.00 30.24 28.95 3ies n GLN 87 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 3ies h PHE 88 N 0.00 -0.01 -0.00 1.08 3.04 -1.85 -1.79 116.94 117.42 3ies h PHE 88 Ca 0.00 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.99 3ies h PHE 88 Cb 0.63 0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.23 3ies h PHE 88 CO 0.00 -0.13 -0.00 1.19 -2.02 0.00 0.00 178.31 177.35 3ies n PHE 89 N -5.24 0.00 0.25 0.41 3.01 -1.26 -4.05 117.46 110.57 3ies n PHE 89 Ca 0.07 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.38 3ies n PHE 89 Cb 0.31 -0.39 -0.08 0.00 -0.01 0.00 0.00 39.48 39.30 3ies n PHE 89 CO 0.00 0.00 0.00 0.52 1.01 0.00 0.00 176.76 178.29 3ies h MET 90 N 0.00 -0.55 0.00 -1.08 2.86 -1.62 0.51 114.93 115.06 3ies h MET 90 Ca 0.00 0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.57 3ies h MET 90 Cb 0.40 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 3ies h MET 90 CO 0.00 -0.35 -0.50 -1.00 1.06 0.00 0.00 176.91 176.12 3ies h PRO 91 N -0.60 0.00 0.33 -0.22 0.13 -1.74 -1.35 132.00 128.55 3ies h PRO 91 Ca -0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 3ies h PRO 91 Cb 0.45 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 3ies h PRO 91 CO 0.10 0.50 -0.21 0.28 -0.23 0.00 0.00 178.00 178.44 3ies h VAL 92 N 0.00 0.56 -0.37 1.56 2.07 -1.64 -1.50 116.25 116.92 3ies h VAL 92 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 3ies h VAL 92 Cb 0.93 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3ies h VAL 92 CO 0.06 0.00 0.10 -0.07 0.02 0.00 0.00 177.57 177.69 3ies h LEU 93 N -0.52 0.56 -0.52 2.57 3.38 -0.84 -1.26 115.31 118.68 3ies h LEU 93 Ca -0.03 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 57.79 3ies h LEU 93 Cb 0.43 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 3ies h LEU 93 CO 0.03 0.64 0.19 1.23 0.09 0.00 0.00 178.44 180.61 3ies h GLY 94 N 0.46 0.69 1.07 0.83 0.00 -1.21 -0.86 103.07 104.05 3ies h GLY 94 Ca 0.12 -0.10 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 3ies h GLY 94 CO -0.00 0.01 -0.06 0.00 0.00 0.00 0.00 176.54 176.48 3ies h ALA 95 N 1.34 0.75 -0.44 3.60 0.00 -1.07 -2.85 119.26 120.59 3ies h ALA 95 Ca 0.25 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3ies h ALA 95 Cb 0.27 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3ies h ALA 95 CO -0.25 0.63 0.15 -0.07 0.00 0.00 0.00 179.25 179.71 3ies h LEU 96 N 0.89 0.57 -1.98 0.00 3.38 -0.87 -0.45 115.31 116.85 3ies h LEU 96 Ca 0.15 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3ies h LEU 96 Cb 0.62 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3ies h LEU 96 CO 0.04 0.53 -0.10 -0.26 0.09 0.00 0.00 178.44 178.74 3ies h PHE 97 N 0.62 0.00 0.00 1.13 0.04 -0.93 -3.17 116.94 114.63 3ies h PHE 97 Ca 0.15 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.92 3ies h PHE 97 Cb 0.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.31 3ies h PHE 97 CO 0.01 0.10 -0.01 0.44 -0.60 0.00 0.00 178.31 178.25 3ies n ILE 98 N -3.94 1.14 -1.03 -0.55 -5.35 -0.66 -1.37 119.36 107.58 3ies n ILE 98 Ca -0.02 -1.23 -0.01 0.00 -0.27 0.00 0.00 62.75 61.21 3ies n ILE 98 Cb 0.19 0.35 -0.00 0.00 -1.74 0.00 0.00 39.64 38.43 3ies n ILE 98 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ies n GLY 99 N -0.69 0.48 3.67 3.28 0.00 -0.29 -4.44 105.19 107.19 3ies n GLY 99 Ca 0.04 -0.89 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 3ies n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ies s VAL 100 N -2.03 5.16 0.29 1.61 1.01 -0.52 -4.09 120.40 121.83 3ies s VAL 100 Ca 0.00 0.82 -0.29 0.00 0.00 0.00 0.00 61.98 62.51 3ies s VAL 100 Cb 0.00 -3.78 -0.10 0.00 0.00 0.00 0.00 36.38 32.50 3ies s VAL 100 CO 0.00 0.22 1.27 0.00 0.00 0.00 0.00 175.10 176.59 3ies s ALA 101 N 1.40 3.49 -0.18 5.51 0.00 -1.14 -4.18 121.76 126.66 3ies s ALA 101 Ca 0.22 1.16 -0.04 0.00 0.00 0.00 0.00 51.96 53.30 3ies s ALA 101 Cb -0.15 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 3ies s ALA 101 CO 0.09 -0.52 -0.03 0.08 0.00 0.00 0.00 175.76 175.37 3ies s VAL 102 N -0.87 3.75 -0.41 0.00 1.01 -0.34 -1.17 120.40 122.37 3ies s VAL 102 Ca 0.50 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.09 3ies s VAL 102 Cb -0.38 -2.67 0.11 0.00 0.00 0.00 0.00 36.38 33.45 3ies s VAL 102 CO 0.47 0.46 0.17 0.00 0.00 0.00 0.00 175.10 176.21 3ies s ALA 103 N 0.74 3.11 0.17 5.51 0.00 -0.05 -0.55 121.76 130.68 3ies s ALA 103 Ca -0.02 -2.67 -0.30 0.00 0.00 0.00 0.00 51.96 48.97 3ies s ALA 103 Cb -0.14 -2.24 -0.08 0.00 0.00 0.00 0.00 23.12 20.66 3ies s ALA 103 CO 0.02 -1.80 1.23 -2.14 0.00 0.00 0.00 175.76 173.06 3ies s PRO 104 N 0.81 4.46 -0.19 0.00 0.02 -1.24 -2.55 135.00 136.30 3ies s PRO 104 Ca 0.11 1.91 -0.01 0.00 0.02 0.00 0.00 61.00 63.03 3ies s PRO 104 Cb -0.21 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.07 3ies s PRO 104 CO -0.05 -0.15 -0.13 0.00 -0.33 0.00 0.00 177.00 176.34 3ies s ALA 105 N 0.14 2.55 -0.33 -1.55 0.00 -0.42 -4.59 121.76 117.55 3ies s ALA 105 Ca 0.55 -1.17 -0.44 0.00 0.00 0.00 0.00 51.96 50.90 3ies s ALA 105 Cb -0.33 -1.39 -0.19 0.00 0.00 0.00 0.00 23.12 21.21 3ies s ALA 105 CO 0.36 -0.32 1.55 -1.71 0.00 0.00 0.00 175.76 175.64 3ies n ASN 106 N 4.58 1.38 -0.12 0.00 2.85 -1.26 -4.24 115.26 118.45 3ies n ASN 106 Ca -0.20 1.15 0.15 0.00 -0.11 0.00 0.00 54.58 55.57 3ies n ASN 106 Cb 0.51 -0.98 0.74 0.00 1.24 0.00 0.00 39.78 41.29 3ies n ASN 106 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 3ies n ASP 107 N 3.92 0.42 -0.59 1.20 5.75 -1.26 -2.51 116.55 123.49 3ies n ASP 107 Ca 0.27 -0.84 0.09 0.00 -0.01 0.00 0.00 54.79 54.31 3ies n ASP 107 Cb 0.03 -0.06 0.04 0.00 -1.03 0.00 0.00 41.12 40.10 3ies n ASP 107 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 3ies n ILE 108 N -0.81 0.00 -1.52 2.12 -6.64 -1.26 -4.93 119.36 106.31 3ies n ILE 108 Ca 0.19 -0.40 -0.40 0.00 -1.77 0.00 0.00 62.75 60.36 3ies n ILE 108 Cb 0.22 1.31 0.02 0.00 -1.44 0.00 0.00 39.64 39.75 3ies n ILE 108 CO 0.00 0.00 0.00 -1.22 -1.77 0.00 0.00 176.55 173.56 3ies n TYR 109 N 0.48 0.07 -2.41 4.28 4.01 -1.04 -5.00 117.16 117.55 3ies n TYR 109 Ca 0.09 0.53 -0.24 0.00 -0.16 0.00 0.00 57.90 58.12 3ies n TYR 109 Cb 0.43 -2.06 0.08 0.00 -0.31 0.00 0.00 39.34 37.47 3ies n TYR 109 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3ies s ASN 110 N -0.99 4.74 0.58 7.72 2.20 -1.26 -4.81 114.94 123.12 3ies s ASN 110 Ca 0.66 0.11 0.30 0.00 -0.94 0.00 0.00 52.86 53.00 3ies s ASN 110 Cb -0.53 -0.73 1.40 0.00 -2.00 0.00 0.00 41.25 39.39 3ies s ASN 110 CO 0.55 -1.59 1.77 -0.33 -2.94 0.00 0.00 177.10 174.56 3ies h GLU 111 N -0.44 0.00 0.03 3.55 3.07 -1.94 -0.22 114.58 118.62 3ies h GLU 111 Ca -0.42 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.40 3ies h GLU 111 Cb 1.29 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.21 3ies h GLU 111 CO 0.52 0.00 -0.19 0.00 -1.40 0.00 0.00 179.01 177.94 3ies h ARG 112 N 0.00 0.08 -0.01 2.33 3.08 -1.98 -0.06 114.38 117.81 3ies h ARG 112 Ca 0.35 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 60.17 3ies h ARG 112 Cb 1.74 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.82 3ies h ARG 112 CO -0.00 1.03 -0.48 0.93 -1.07 0.00 0.00 179.97 180.37 3ies h GLU 113 N -0.81 0.03 -0.11 0.04 5.08 -1.71 -0.99 114.58 116.11 3ies h GLU 113 Ca -0.03 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3ies h GLU 113 Cb 1.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 3ies h GLU 113 CO 0.04 0.51 0.00 1.25 -1.00 0.00 0.00 179.01 179.81 3ies h LEU 114 N 0.03 0.19 -0.57 1.33 5.85 -1.13 0.76 115.31 121.76 3ies h LEU 114 Ca -0.00 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.45 3ies h LEU 114 Cb 0.87 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 3ies h LEU 114 CO 0.06 0.45 0.32 0.25 -0.34 0.00 0.00 178.44 179.19 3ies h LEU 115 N -0.07 0.50 -0.24 2.25 5.85 -0.77 -0.65 115.31 122.19 3ies h LEU 115 Ca 0.03 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 3ies h LEU 115 Cb 0.35 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3ies h LEU 115 CO 0.01 0.35 0.14 -1.13 -0.34 0.00 0.00 178.44 177.46 3ies h ASN 116 N 0.63 0.29 -0.12 1.25 -0.73 -0.98 0.20 115.58 116.13 3ies h ASN 116 Ca 0.24 -0.06 0.04 0.00 1.87 0.00 0.00 56.30 58.39 3ies h ASN 116 Cb 0.08 -0.07 -0.04 0.00 0.27 0.00 0.00 38.32 38.56 3ies h ASN 116 CO -0.13 0.26 -0.13 -1.28 -0.37 0.00 0.00 177.43 175.78 3ies h SER 117 N 0.29 -0.42 1.88 1.15 0.87 -0.55 -2.40 113.55 114.38 3ies h SER 117 Ca 0.09 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 3ies h SER 117 Cb 0.03 0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 3ies h SER 117 CO -0.02 -0.18 -0.04 0.24 -0.53 0.00 0.00 176.83 176.31 3ies h MET 118 N -0.17 0.00 -0.22 2.24 2.86 -0.92 -1.66 114.93 117.06 3ies h MET 118 Ca 0.09 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.61 3ies h MET 118 Cb 0.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 3ies h MET 118 CO -0.22 0.04 -0.36 -0.97 1.06 0.00 0.00 176.91 176.47 3ies h ASN 119 N 0.00 0.50 -0.09 1.22 -1.24 -0.47 0.16 115.58 115.66 3ies h ASN 119 Ca -0.00 -0.20 -0.17 0.00 0.71 0.00 0.00 56.30 56.64 3ies h ASN 119 Cb 0.99 -0.14 0.01 0.00 0.73 0.00 0.00 38.32 39.92 3ies h ASN 119 CO 0.01 0.82 -0.61 0.40 -1.29 0.00 0.00 177.43 176.75 3ies h ILE 120 N 0.40 1.35 0.00 2.57 2.04 -1.02 -3.35 117.51 119.50 3ies h ILE 120 Ca 0.04 -1.93 -0.16 0.00 1.00 0.00 0.00 64.86 63.82 3ies h ILE 120 Cb 0.81 2.23 -0.02 0.00 -0.74 0.00 0.00 36.82 39.10 3ies h ILE 120 CO 0.07 0.58 -0.84 0.77 0.00 0.00 0.00 178.15 178.73 3ies h SER 121 N 0.19 0.00 -5.93 1.72 4.64 -1.27 -3.49 113.55 109.41 3ies h SER 121 Ca -0.05 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.90 3ies h SER 121 Cb 1.27 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.49 3ies h SER 121 CO 0.13 0.71 -0.91 0.00 -0.87 0.00 0.00 176.83 175.89 3ies n GLN 122 N -3.22 -1.69 -2.70 4.77 1.13 0.57 -4.80 117.38 111.43 3ies n GLN 122 Ca -0.01 0.61 -0.35 0.00 -1.94 0.00 0.00 57.00 55.31 3ies n GLN 122 Cb 0.83 -4.78 -0.06 0.00 0.11 0.00 0.00 30.24 26.34 3ies n GLN 122 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 3ies s PRO 123 N -5.39 4.23 -0.03 -1.09 0.04 -1.26 -4.54 135.00 126.96 3ies s PRO 123 Ca 0.46 1.30 0.01 0.00 0.04 0.00 0.00 61.00 62.81 3ies s PRO 123 Cb -0.13 -2.40 -0.26 0.00 0.04 0.00 0.00 34.50 31.76 3ies s PRO 123 CO 0.82 -0.05 0.71 1.15 0.04 0.00 0.00 177.00 179.67 3ies h THR 124 N 2.08 0.98 -3.97 1.26 2.02 -1.34 -3.24 112.91 110.70 3ies h THR 124 Ca -0.48 -2.70 -0.46 0.00 0.77 0.00 0.00 66.41 63.54 3ies h THR 124 Cb 1.20 2.61 -0.30 0.00 -1.74 0.00 0.00 68.15 69.92 3ies h THR 124 CO 0.62 0.75 -0.80 -0.69 0.37 0.00 0.00 175.52 175.77 3ies s VAL 125 N -2.60 0.97 -0.17 3.16 1.01 -1.24 -0.87 120.40 120.66 3ies s VAL 125 Ca -0.10 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.39 3ies s VAL 125 Cb 0.07 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.62 3ies s VAL 125 CO 0.83 0.29 -0.16 -0.69 0.00 0.00 0.00 175.10 175.36 3ies s VAL 126 N -0.03 2.51 -0.21 2.92 1.01 -0.11 -1.75 120.40 124.74 3ies s VAL 126 Ca 0.00 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 3ies s VAL 126 Cb -0.07 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 3ies s VAL 126 CO 0.00 0.51 0.25 -0.36 0.00 0.00 0.00 175.10 175.51 3ies s PHE 127 N 1.03 3.38 -0.00 5.22 0.40 0.26 -0.72 117.98 127.54 3ies s PHE 127 Ca -0.01 0.43 -0.03 0.00 -0.60 0.00 0.00 56.93 56.71 3ies s PHE 127 Cb -0.15 -2.34 -0.00 0.00 0.51 0.00 0.00 43.02 41.04 3ies s PHE 127 CO -0.04 0.12 0.06 0.54 0.70 0.00 0.00 175.22 176.60 3ies s VAL 128 N 0.88 0.07 0.82 -0.44 0.11 -0.38 -0.67 120.40 120.78 3ies s VAL 128 Ca 0.13 -0.54 -0.11 0.00 -2.93 0.00 0.00 61.98 58.53 3ies s VAL 128 Cb -0.13 -0.27 0.08 0.00 -1.53 0.00 0.00 36.38 34.53 3ies s VAL 128 CO 0.04 -0.30 1.10 -0.94 -3.33 0.00 0.00 175.10 171.67 3ies s SER 129 N -0.95 4.08 0.25 3.54 1.04 -0.77 -1.12 113.70 119.77 3ies s SER 129 Ca -0.10 1.79 -0.03 0.00 0.48 0.00 0.00 55.95 58.09 3ies s SER 129 Cb -0.06 -2.45 0.51 0.00 0.10 0.00 0.00 66.02 64.11 3ies s SER 129 CO 0.00 -2.30 1.73 0.11 0.98 0.00 0.00 173.24 173.76 3ies h LYS 130 N -1.31 0.44 0.00 4.02 1.57 -1.93 -1.28 116.57 118.08 3ies h LYS 130 Ca -0.45 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3ies h LYS 130 Cb 1.25 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3ies h LYS 130 CO 0.51 0.29 0.00 0.36 -0.57 0.00 0.00 179.45 180.04 3ies n LYS 131 N -5.00 0.02 0.00 3.15 2.85 -1.26 -2.06 118.16 115.86 3ies n LYS 131 Ca 0.16 0.08 0.11 0.00 -1.05 0.00 0.00 58.31 57.61 3ies n LYS 131 Cb 0.45 -1.50 0.09 0.00 -0.65 0.00 0.00 35.03 33.42 3ies n LYS 131 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3ies n GLY 132 N 0.98 0.80 0.31 2.58 0.00 -0.51 -4.66 105.19 104.70 3ies n GLY 132 Ca 0.06 -0.65 -0.04 0.00 0.00 0.00 0.00 46.02 45.40 3ies n GLY 132 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ies h LEU 133 N 4.29 0.93 -0.53 0.99 5.85 -1.13 -2.44 115.31 123.27 3ies h LEU 133 Ca 0.00 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 3ies h LEU 133 Cb 0.92 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 3ies h LEU 133 CO 0.00 0.69 0.15 1.56 -0.34 0.00 0.00 178.44 180.50 3ies h GLN 134 N 1.09 0.82 -0.70 1.25 1.08 -1.83 -0.16 115.11 116.67 3ies h GLN 134 Ca 0.29 -0.18 0.01 0.00 -1.45 0.00 0.00 58.65 57.32 3ies h GLN 134 Cb -0.10 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.18 3ies h GLN 134 CO -0.06 0.77 0.46 0.87 -0.95 0.00 0.00 178.83 179.92 3ies h LYS 135 N 0.73 0.90 -0.51 1.46 1.57 -1.84 -1.37 116.57 117.51 3ies h LYS 135 Ca 0.17 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 3ies h LYS 135 Cb 0.29 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3ies h LYS 135 CO -0.00 0.60 0.04 0.82 -0.57 0.00 0.00 179.45 180.33 3ies h ILE 136 N 0.93 1.26 -0.95 1.86 1.08 -1.14 -1.35 117.51 119.19 3ies h ILE 136 Ca 0.26 -1.02 0.02 0.00 -0.39 0.00 0.00 64.86 63.73 3ies h ILE 136 Cb -0.08 0.92 -0.05 0.00 -3.07 0.00 0.00 36.82 34.55 3ies h ILE 136 CO -0.07 0.36 0.63 -0.07 -0.69 0.00 0.00 178.15 178.31 3ies h LEU 137 N 0.74 1.08 -0.29 1.44 3.38 -0.61 -0.37 115.31 120.67 3ies h LEU 137 Ca 0.15 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3ies h LEU 137 Cb 0.47 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3ies h LEU 137 CO 0.02 0.77 0.03 0.78 0.09 0.00 0.00 178.44 180.13 3ies h ASN 138 N 1.27 0.47 -0.91 -0.43 2.35 -1.06 -2.93 115.58 114.35 3ies h ASN 138 Ca 0.36 -0.28 0.02 0.00 -0.55 0.00 0.00 56.30 55.85 3ies h ASN 138 Cb -0.11 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.09 3ies h ASN 138 CO -0.09 0.63 0.60 0.58 -1.65 0.00 0.00 177.43 177.50 3ies h VAL 139 N 0.30 1.19 -0.33 2.81 2.07 -0.91 -2.85 116.25 118.53 3ies h VAL 139 Ca 0.09 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 3ies h VAL 139 Cb 0.37 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 3ies h VAL 139 CO 0.01 0.22 0.11 -0.61 0.02 0.00 0.00 177.57 177.32 3ies h GLN 140 N 1.19 0.46 -0.02 1.57 4.15 -0.90 0.78 115.11 122.35 3ies h GLN 140 Ca 0.35 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.71 3ies h GLN 140 Cb -0.06 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.54 3ies h GLN 140 CO -0.09 0.40 0.16 0.87 -1.93 0.00 0.00 178.83 178.24 3ies h LYS 141 N 0.46 0.00 0.00 1.69 1.57 -1.35 -2.02 116.57 116.92 3ies h LYS 141 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3ies h LYS 141 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3ies h LYS 141 CO -0.01 0.00 -0.68 1.63 -0.57 0.00 0.00 179.45 179.82 3ies n LYS 142 N -3.06 3.13 -3.78 3.15 5.02 0.17 -4.85 118.16 117.94 3ies n LYS 142 Ca -0.02 -0.02 -0.29 0.00 -2.02 0.00 0.00 58.31 55.95 3ies n LYS 142 Cb 0.22 -0.95 -0.13 0.00 -0.02 0.00 0.00 35.03 34.15 3ies n LYS 142 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ies s LEU 143 N -2.74 3.31 0.00 -0.35 1.43 -0.63 -4.96 118.68 114.74 3ies s LEU 143 Ca 0.01 -2.93 0.26 0.00 -1.03 0.00 0.00 54.13 50.43 3ies s LEU 143 Cb 0.05 -1.23 1.11 0.00 0.03 0.00 0.00 46.19 46.15 3ies s LEU 143 CO 0.30 -0.22 1.83 -0.81 0.23 0.00 0.00 176.35 177.68 3ies n PRO 144 N 3.15 0.01 0.30 1.29 -0.04 -1.25 -1.96 135.00 136.50 3ies n PRO 144 Ca 0.11 0.05 0.16 0.00 -0.04 0.00 0.00 63.50 63.79 3ies n PRO 144 Cb 0.35 -1.50 0.93 0.00 -0.04 0.00 0.00 33.50 33.24 3ies n PRO 144 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3ies h ILE 145 N 0.00 0.40 -2.08 0.52 2.10 -1.89 -3.38 117.51 113.18 3ies h ILE 145 Ca 0.00 -0.16 -0.51 0.00 1.08 0.00 0.00 64.86 65.27 3ies h ILE 145 Cb 0.44 1.11 -0.04 0.00 -1.09 0.00 0.00 36.82 37.24 3ies h ILE 145 CO 0.00 0.03 1.30 -0.63 -1.08 0.00 0.00 178.15 177.77 3ies s ILE 146 N -4.37 3.43 -0.31 2.19 1.01 -0.83 -4.35 121.20 117.98 3ies s ILE 146 Ca -0.04 0.25 0.23 0.00 0.00 0.00 0.00 60.65 61.09 3ies s ILE 146 Cb 0.14 -4.12 0.04 0.00 0.01 0.00 0.00 42.46 38.53 3ies s ILE 146 CO 0.53 -1.07 1.14 1.56 0.00 0.00 0.00 174.94 177.09 3ies h GLN 147 N 13.97 0.00 -2.49 2.79 4.20 -1.19 -3.48 115.11 128.91 3ies h GLN 147 Ca -0.26 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.36 3ies h GLN 147 Cb 1.14 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 28.68 3ies h GLN 147 CO 1.22 0.00 -0.18 0.21 -0.67 0.00 0.00 178.83 179.41 3ies s LYS 148 N -3.32 0.52 -0.12 1.46 2.47 -1.17 -5.05 119.74 114.53 3ies s LYS 148 Ca 0.01 0.83 0.03 0.00 -1.56 0.00 0.00 55.97 55.28 3ies s LYS 148 Cb 0.10 0.12 0.01 0.00 -1.46 0.00 0.00 37.83 36.59 3ies s LYS 148 CO 0.77 -0.12 -0.22 0.42 0.16 0.00 0.00 175.35 176.36 3ies s ILE 149 N 1.03 1.96 -0.06 5.43 1.01 -1.26 -0.93 121.20 128.38 3ies s ILE 149 Ca -0.06 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 59.71 3ies s ILE 149 Cb -0.06 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.67 3ies s ILE 149 CO -0.09 0.53 -0.24 -0.63 0.00 0.00 0.00 174.94 174.51 3ies s ILE 150 N 0.67 1.98 -0.18 2.92 1.01 0.10 -4.27 121.20 123.43 3ies s ILE 150 Ca -0.11 -1.01 -0.21 0.00 0.00 0.00 0.00 60.65 59.31 3ies s ILE 150 Cb -0.16 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 3ies s ILE 150 CO 0.02 0.55 0.64 -0.63 0.00 0.00 0.00 174.94 175.52 3ies s ILE 151 N -0.04 5.02 -0.03 2.92 -1.09 -0.18 -1.25 121.20 126.54 3ies s ILE 151 Ca -0.06 1.22 -0.22 0.00 -2.23 0.00 0.00 60.65 59.36 3ies s ILE 151 Cb -0.14 -3.96 -0.28 0.00 -1.58 0.00 0.00 42.46 36.50 3ies s ILE 151 CO 0.04 0.13 0.97 0.24 -1.23 0.00 0.00 174.94 175.09 3ies h MET 152 N 7.37 0.32 -1.27 2.79 2.86 -1.46 -2.78 114.93 122.76 3ies h MET 152 Ca -0.33 -0.44 -0.67 0.00 -2.06 0.00 0.00 59.70 56.20 3ies h MET 152 Cb 1.15 0.15 -0.32 0.00 0.06 0.00 0.00 31.60 32.64 3ies h MET 152 CO 0.78 1.16 0.49 -0.40 1.06 0.00 0.00 176.91 179.99 3ies n ASP 153 N -4.20 6.91 -4.17 1.22 5.75 -1.26 -4.72 116.55 116.08 3ies n ASP 153 Ca -0.12 -3.79 -0.17 0.00 -0.01 0.00 0.00 54.79 50.70 3ies n ASP 153 Cb 0.74 -0.84 -0.12 0.00 -1.03 0.00 0.00 41.12 39.86 3ies n ASP 153 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3ies s SER 154 N -2.10 1.58 -0.20 -1.12 0.15 -1.26 -4.88 113.70 105.87 3ies s SER 154 Ca 0.58 -0.66 -0.17 0.00 0.70 0.00 0.00 55.95 56.39 3ies s SER 154 Cb 0.46 -0.03 -0.14 0.00 -1.71 0.00 0.00 66.02 64.61 3ies s SER 154 CO -0.13 -0.13 0.03 0.29 1.20 0.00 0.00 173.24 174.50 3ies n LYS 155 N 1.10 0.54 -2.02 5.44 4.76 -1.26 -4.54 118.16 122.17 3ies n LYS 155 Ca -0.20 0.52 -0.29 0.00 -2.87 0.00 0.00 58.31 55.47 3ies n LYS 155 Cb 0.55 -1.69 0.14 0.00 -1.84 0.00 0.00 35.03 32.19 3ies n LYS 155 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3ies s THR 156 N -2.37 2.04 0.69 -0.18 -4.23 -1.26 -4.36 115.64 105.98 3ies s THR 156 Ca -0.26 -0.09 -0.16 0.00 -1.18 0.00 0.00 61.69 59.99 3ies s THR 156 Cb 0.06 -2.95 -0.02 0.00 1.34 0.00 0.00 72.50 70.92 3ies s THR 156 CO 0.47 0.00 0.78 0.47 -0.54 0.00 0.00 174.62 175.81 3ies n ASP 157 N -3.48 -0.18 -3.67 3.99 9.92 -1.26 -4.17 116.55 117.69 3ies n ASP 157 Ca 0.13 0.66 -0.26 0.00 -0.53 0.00 0.00 54.79 54.80 3ies n ASP 157 Cb 0.60 -1.32 -0.17 0.00 -0.64 0.00 0.00 41.12 39.59 3ies n ASP 157 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 3ies s TYR 158 N -1.80 0.50 -1.48 1.24 5.04 -0.14 -4.85 117.35 115.86 3ies s TYR 158 Ca 0.71 -0.41 -0.12 0.00 -2.44 0.00 0.00 57.07 54.81 3ies s TYR 158 Cb -0.36 -0.79 0.06 0.00 0.35 0.00 0.00 41.96 41.22 3ies s TYR 158 CO 0.53 -0.49 1.01 1.04 -1.34 0.00 0.00 175.55 176.30 3ies n GLN 159 N 5.19 -6.04 -0.40 4.97 6.02 -1.26 -1.40 117.38 124.46 3ies n GLN 159 Ca -0.07 0.65 0.00 0.00 -0.01 0.00 0.00 57.00 57.57 3ies n GLN 159 Cb 0.49 -5.56 0.00 0.00 1.02 0.00 0.00 30.24 26.18 3ies n GLN 159 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ies n GLY 160 N -1.75 1.26 3.75 1.08 0.00 -1.26 -5.04 105.19 103.22 3ies n GLY 160 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3ies n GLY 160 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ies s PHE 161 N -3.05 3.21 0.56 1.61 0.40 -0.49 -5.09 117.98 115.12 3ies s PHE 161 Ca 0.00 0.15 -0.18 0.00 -0.60 0.00 0.00 56.93 56.30 3ies s PHE 161 Cb 0.00 -1.70 -0.05 0.00 0.51 0.00 0.00 43.02 41.78 3ies s PHE 161 CO 0.00 0.52 1.08 -0.65 0.70 0.00 0.00 175.22 176.87 3ies s GLN 162 N -1.75 3.38 0.80 0.44 -0.21 -1.26 -0.96 119.66 120.10 3ies s GLN 162 Ca 0.22 1.40 -0.05 0.00 0.02 0.00 0.00 55.36 56.95 3ies s GLN 162 Cb -0.12 -2.03 0.16 0.00 1.00 0.00 0.00 33.01 32.02 3ies s GLN 162 CO 0.14 -0.79 1.10 -1.54 -2.12 0.00 0.00 175.29 172.08 3ies s SER 163 N -2.24 3.90 0.23 5.90 1.04 -1.26 -1.01 113.70 120.26 3ies s SER 163 Ca 0.68 -0.24 -0.06 0.00 0.48 0.00 0.00 55.95 56.82 3ies s SER 163 Cb -0.19 0.00 0.22 0.00 0.10 0.00 0.00 66.02 66.15 3ies s SER 163 CO 0.30 -2.18 1.75 0.24 0.98 0.00 0.00 173.24 174.33 3ies h MET 164 N -0.89 1.01 -0.07 4.02 0.00 -1.73 -1.02 114.93 116.25 3ies h MET 164 Ca -0.38 -0.24 -0.00 0.00 0.00 0.00 0.00 59.70 59.08 3ies h MET 164 Cb 1.25 -0.13 -0.00 0.00 0.00 0.00 0.00 31.60 32.72 3ies h MET 164 CO 0.38 0.91 0.03 1.88 0.00 0.00 0.00 176.91 180.11 3ies h TYR 165 N 0.96 0.10 0.00 -0.22 -1.99 -1.83 -1.50 116.97 112.49 3ies h TYR 165 Ca 0.20 -0.01 -0.17 0.00 2.00 0.00 0.00 58.73 60.75 3ies h TYR 165 Cb 0.37 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 39.05 3ies h TYR 165 CO 0.03 0.20 -0.81 1.79 -0.00 0.00 0.00 178.16 179.36 3ies h THR 166 N -0.02 1.56 -0.18 -2.88 1.35 -1.73 -1.96 112.91 109.05 3ies h THR 166 Ca 0.02 -2.70 0.03 0.00 -0.55 0.00 0.00 66.41 63.21 3ies h THR 166 Cb 0.14 2.47 -0.03 0.00 -1.73 0.00 0.00 68.15 69.00 3ies h THR 166 CO -0.00 0.78 -0.00 0.15 -0.25 0.00 0.00 175.52 176.19 3ies h PHE 167 N 0.02 -0.01 -0.19 4.73 3.57 -1.15 -1.17 116.94 122.74 3ies h PHE 167 Ca -0.02 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.51 3ies h PHE 167 Cb 1.43 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.19 3ies h PHE 167 CO 0.01 -0.03 0.11 0.28 -2.23 0.00 0.00 178.31 176.45 3ies h VAL 168 N 0.06 1.02 -0.46 1.41 2.07 -1.10 -1.87 116.25 117.38 3ies h VAL 168 Ca 0.09 -0.08 0.09 0.00 0.82 0.00 0.00 66.70 67.61 3ies h VAL 168 Cb 0.10 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3ies h VAL 168 CO -0.14 0.04 0.31 0.74 0.02 0.00 0.00 177.57 178.54 3ies h THR 169 N 0.23 0.90 0.00 2.57 2.02 -1.22 -0.60 112.91 116.80 3ies h THR 169 Ca 0.07 -0.09 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 3ies h THR 169 Cb -0.00 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3ies h THR 169 CO -0.04 0.05 -0.22 0.28 0.37 0.00 0.00 175.52 175.96 3ies h SER 170 N 0.26 0.00 0.00 4.18 0.02 -0.38 -3.36 113.55 114.27 3ies h SER 170 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3ies h SER 170 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 3ies h SER 170 CO -0.04 0.22 -0.05 1.41 -1.14 0.00 0.00 176.83 177.23 3ies n HIS 171 N -3.45 0.00 -2.38 3.45 -0.00 -0.60 -5.05 115.22 107.18 3ies n HIS 171 Ca -0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.31 3ies n HIS 171 Cb 0.40 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.35 3ies n HIS 171 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3ies s LEU 172 N -1.87 4.50 0.75 2.41 1.43 -0.33 -4.79 118.68 120.78 3ies s LEU 172 Ca 0.00 2.33 -0.13 0.00 -1.03 0.00 0.00 54.13 55.30 3ies s LEU 172 Cb 0.00 -3.62 0.05 0.00 0.03 0.00 0.00 46.19 42.64 3ies s LEU 172 CO 0.00 -0.27 1.13 -2.16 0.23 0.00 0.00 176.35 175.28 3ies s PRO 173 N -1.15 2.19 0.39 1.29 0.04 -1.26 -4.95 135.00 131.55 3ies s PRO 173 Ca 0.48 1.44 -0.27 0.00 0.04 0.00 0.00 61.00 62.69 3ies s PRO 173 Cb -0.33 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.24 3ies s PRO 173 CO 0.42 -1.73 1.40 -2.14 0.04 0.00 0.00 177.00 174.99 3ies s PRO 174 N -4.37 4.02 -0.34 0.56 0.02 -1.26 -2.49 135.00 131.13 3ies s PRO 174 Ca 0.67 2.38 0.00 0.00 0.02 0.00 0.00 61.00 64.07 3ies s PRO 174 Cb -0.22 -2.87 0.00 0.00 0.02 0.00 0.00 34.50 31.43 3ies s PRO 174 CO 0.49 -0.53 0.00 0.41 -0.33 0.00 0.00 177.00 177.04 3ies n GLY 175 N 0.60 0.60 3.70 0.52 0.00 -1.26 -4.96 105.19 104.38 3ies n GLY 175 Ca 0.02 -0.33 -0.44 0.00 0.00 0.00 0.00 46.02 45.27 3ies n GLY 175 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3ies n PHE 176 N -2.72 2.42 -4.02 1.61 7.35 -1.04 -4.98 117.46 116.08 3ies n PHE 176 Ca -0.03 0.36 -0.31 0.00 -0.76 0.00 0.00 57.45 56.71 3ies n PHE 176 Cb 0.20 -2.51 -0.15 0.00 0.35 0.00 0.00 39.48 37.36 3ies n PHE 176 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 3ies s ASN 177 N 0.39 3.90 0.53 -2.13 3.04 -1.26 -4.99 114.94 114.42 3ies s ASN 177 Ca 0.67 -1.14 0.29 0.00 0.04 0.00 0.00 52.86 52.71 3ies s ASN 177 Cb -0.59 -1.35 1.51 0.00 -1.54 0.00 0.00 41.25 39.27 3ies s ASN 177 CO 0.49 -0.18 2.09 -0.33 -3.04 0.00 0.00 177.10 176.13 3ies h GLU 178 N 7.89 0.00 0.00 0.43 3.07 -1.94 -1.80 114.58 122.23 3ies h GLU 178 Ca -0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 3ies h GLU 178 Cb 1.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 3ies h GLU 178 CO 0.46 0.10 -0.59 0.66 -1.40 0.00 0.00 179.01 178.25 3ies n TYR 179 N -3.58 0.15 0.10 4.33 4.02 -1.26 -3.60 117.16 117.32 3ies n TYR 179 Ca -0.02 0.04 0.10 0.00 -0.01 0.00 0.00 57.90 58.01 3ies n TYR 179 Cb 0.23 -0.36 -0.01 0.00 -0.02 0.00 0.00 39.34 39.18 3ies n TYR 179 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 3ies h ASP 180 N 0.00 0.00 -3.30 7.72 3.32 -1.77 -3.48 116.42 118.91 3ies h ASP 180 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 3ies h ASP 180 Cb 0.58 0.00 0.12 0.00 0.22 0.00 0.00 39.33 40.25 3ies h ASP 180 CO 0.00 0.09 0.37 0.33 -1.72 0.00 0.00 179.24 178.31 3ies n PHE 181 N -2.72 1.81 -3.96 4.55 -0.00 -0.93 -5.00 117.46 111.21 3ies n PHE 181 Ca -0.01 0.54 -0.28 0.00 -0.00 0.00 0.00 57.45 57.69 3ies n PHE 181 Cb 0.59 -2.33 -0.17 0.00 -0.00 0.00 0.00 39.48 37.58 3ies n PHE 181 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 3ies s VAL 182 N -1.20 1.29 0.90 -2.13 1.01 -1.26 -5.07 120.40 113.94 3ies s VAL 182 Ca 0.61 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 3ies s VAL 182 Cb -0.54 -1.25 0.13 0.00 0.00 0.00 0.00 36.38 34.71 3ies s VAL 182 CO 0.58 0.41 1.10 -2.16 0.00 0.00 0.00 175.10 175.03 3ies s PRO 183 N 1.60 1.19 0.45 2.72 0.04 -1.26 -4.95 135.00 134.79 3ies s PRO 183 Ca 0.05 1.13 -0.22 0.00 0.04 0.00 0.00 61.00 62.00 3ies s PRO 183 Cb -0.13 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.55 3ies s PRO 183 CO -0.09 -2.37 1.07 -1.21 0.04 0.00 0.00 177.00 174.44 3ies s GLU 184 N -4.79 3.91 -0.09 4.56 0.41 -0.47 -5.01 118.70 117.22 3ies s GLU 184 Ca 0.64 1.52 0.01 0.00 -0.41 0.00 0.00 54.97 56.73 3ies s GLU 184 Cb -0.20 -2.33 -0.02 0.00 -1.78 0.00 0.00 34.13 29.80 3ies s GLU 184 CO 0.58 -0.36 -0.12 0.45 -0.49 0.00 0.00 175.26 175.31 3ies s SER 185 N -1.68 4.16 0.32 -0.19 0.15 -1.26 -4.74 113.70 110.46 3ies s SER 185 Ca 0.63 -0.21 -0.19 0.00 0.70 0.00 0.00 55.95 56.88 3ies s SER 185 Cb -0.21 -1.23 0.04 0.00 -1.71 0.00 0.00 66.02 62.91 3ies s SER 185 CO 0.26 0.27 0.78 0.72 1.20 0.00 0.00 173.24 176.48 3ies s PHE 186 N -0.28 -0.03 -0.31 3.44 -0.12 -1.26 -5.11 117.98 114.31 3ies s PHE 186 Ca 0.02 -0.53 -0.29 0.00 -0.05 0.00 0.00 56.93 56.09 3ies s PHE 186 Cb -0.13 0.77 -0.01 0.00 -0.63 0.00 0.00 43.02 43.02 3ies s PHE 186 CO 0.03 -1.36 1.57 0.34 -0.05 0.00 0.00 175.22 175.74 3ies s ASP 187 N -3.02 6.29 0.10 1.98 3.68 -1.26 -4.77 116.67 119.67 3ies s ASP 187 Ca 0.14 1.28 0.25 0.00 2.13 0.00 0.00 52.55 56.35 3ies s ASP 187 Cb -0.05 -2.53 0.97 0.00 -1.45 0.00 0.00 42.92 39.86 3ies s ASP 187 CO 0.09 -1.39 1.78 -2.11 0.13 0.00 0.00 175.17 173.66 3ies n ARG 188 N 7.92 0.10 0.04 4.34 1.85 -1.26 -0.62 116.66 129.03 3ies n ARG 188 Ca 0.19 0.16 -0.14 0.00 -1.00 0.00 0.00 57.85 57.06 3ies n ARG 188 Cb 0.46 -1.64 -0.14 0.00 -1.05 0.00 0.00 32.46 30.10 3ies n ARG 188 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 3ies h ASP 189 N 0.00 0.27 0.44 2.89 3.32 -1.95 0.33 116.42 121.72 3ies h ASP 189 Ca 0.00 -0.40 -0.06 0.00 0.02 0.00 0.00 57.03 56.58 3ies h ASP 189 Cb 0.51 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3ies h ASP 189 CO 0.00 1.34 -1.61 0.29 -1.72 0.00 0.00 179.24 177.54 3ies n LYS 190 N -3.36 0.64 -3.32 3.56 5.02 -1.06 -4.77 118.16 114.87 3ies n LYS 190 Ca -0.16 -0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.74 3ies n LYS 190 Cb 1.03 -1.67 -0.07 0.00 -0.02 0.00 0.00 35.03 34.31 3ies n LYS 190 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3ies s THR 191 N -3.27 5.16 0.09 -0.18 2.01 0.21 -5.01 115.64 114.66 3ies s THR 191 Ca -0.05 0.87 -0.30 0.00 0.31 0.00 0.00 61.69 62.52 3ies s THR 191 Cb 0.11 -3.79 -0.06 0.00 0.01 0.00 0.00 72.50 68.77 3ies s THR 191 CO 0.85 0.24 1.09 -0.63 -0.69 0.00 0.00 174.62 175.49 3ies s ILE 192 N 1.24 4.20 -0.21 1.82 -1.09 -1.26 -1.70 121.20 124.20 3ies s ILE 192 Ca 0.23 1.70 -0.17 0.00 -2.23 0.00 0.00 60.65 60.18 3ies s ILE 192 Cb -0.15 -4.09 -0.13 0.00 -1.58 0.00 0.00 42.46 36.51 3ies s ILE 192 CO 0.09 0.20 -0.04 0.00 -1.23 0.00 0.00 174.94 173.96 3ies n ALA 193 N 3.27 0.81 -2.64 9.38 0.00 0.43 -3.98 120.51 127.78 3ies n ALA 193 Ca 0.05 -0.64 -0.21 0.00 0.00 0.00 0.00 53.44 52.65 3ies n ALA 193 Cb 0.48 -0.24 -0.15 0.00 0.00 0.00 0.00 19.45 19.53 3ies n ALA 193 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ies s LEU 194 N -7.87 2.01 -0.38 0.00 2.01 -1.09 -1.20 118.68 112.15 3ies s LEU 194 Ca -0.28 -0.21 -0.04 0.00 0.01 0.00 0.00 54.13 53.61 3ies s LEU 194 Cb 0.07 -0.61 0.09 0.00 0.01 0.00 0.00 46.19 45.75 3ies s LEU 194 CO 0.48 0.14 0.16 -0.63 1.01 0.00 0.00 176.35 177.51 3ies s ILE 195 N -0.25 3.40 0.18 -0.59 1.01 0.28 -0.77 121.20 124.47 3ies s ILE 195 Ca 0.04 -1.75 0.01 0.00 0.00 0.00 0.00 60.65 58.95 3ies s ILE 195 Cb -0.05 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 3ies s ILE 195 CO -0.00 -0.50 0.34 -0.04 0.00 0.00 0.00 174.94 174.74 3ies s MET 196 N 1.23 3.47 -0.05 2.79 -1.94 -0.44 -3.70 119.30 120.66 3ies s MET 196 Ca 0.04 -0.49 -0.15 0.00 -1.71 0.00 0.00 55.69 53.38 3ies s MET 196 Cb -0.22 -2.90 -0.05 0.00 2.01 0.00 0.00 34.83 33.67 3ies s MET 196 CO -0.02 0.45 0.39 -0.80 -0.01 0.00 0.00 175.02 175.03 3ies s ASN 197 N -3.29 6.71 0.00 3.03 0.01 -1.26 0.01 114.94 120.16 3ies s ASN 197 Ca 0.36 0.85 0.00 0.00 -0.71 0.00 0.00 52.86 53.36 3ies s ASN 197 Cb -0.11 -2.24 0.00 0.00 0.41 0.00 0.00 41.25 39.31 3ies s ASN 197 CO 0.29 0.24 0.03 -1.20 -1.51 0.00 0.00 177.10 174.95 3ies n SER 198 N 2.39 0.00 -2.89 -1.22 7.64 0.10 -4.93 113.62 114.71 3ies n SER 198 Ca -0.13 0.03 -0.37 0.00 1.01 0.00 0.00 58.87 59.41 3ies n SER 198 Cb 0.52 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.68 3ies n SER 198 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3ies n LEU 204 N -0.07 -0.11 -4.60 -3.43 4.77 -1.26 -4.81 117.00 107.48 3ies n LEU 204 Ca 0.00 0.74 -0.37 0.00 -0.03 0.00 0.00 56.01 56.36 3ies n LEU 204 Cb 0.00 -0.59 0.07 0.00 -2.33 0.00 0.00 43.42 40.57 3ies n LEU 204 CO 0.00 -1.32 0.50 -2.65 -1.33 0.00 0.00 177.39 172.59 3ies n PRO 205 N 0.92 0.67 -3.45 3.23 -0.02 -1.26 -5.03 135.00 130.06 3ies n PRO 205 Ca 0.13 0.28 -0.20 0.00 -2.02 0.00 0.00 63.50 61.69 3ies n PRO 205 Cb 0.07 -2.17 -0.02 0.00 -0.02 0.00 0.00 33.50 31.36 3ies n PRO 205 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3ies s LYS 206 N -3.03 2.68 -0.23 -0.52 1.02 -1.26 -4.92 119.74 113.48 3ies s LYS 206 Ca 0.74 -1.39 -0.13 0.00 0.02 0.00 0.00 55.97 55.22 3ies s LYS 206 Cb -0.38 -2.52 -0.05 0.00 -0.52 0.00 0.00 37.83 34.37 3ies s LYS 206 CO 0.49 -0.16 0.26 0.20 -0.92 0.00 0.00 175.35 175.22 3ies s GLY 207 N -4.17 2.02 -0.41 -3.33 0.00 -1.26 -0.72 107.32 99.45 3ies s GLY 207 Ca 0.49 -0.75 -0.14 0.00 0.00 0.00 0.00 44.72 44.32 3ies s GLY 207 CO 0.29 0.58 0.28 0.14 0.00 0.00 0.00 173.10 174.39 3ies s VAL 208 N 1.20 5.00 -0.19 1.40 1.01 0.10 -0.02 120.40 128.90 3ies s VAL 208 Ca 0.12 -0.80 -0.27 0.00 0.00 0.00 0.00 61.98 61.04 3ies s VAL 208 Cb -0.14 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 3ies s VAL 208 CO 0.06 -0.32 0.92 0.00 0.00 0.00 0.00 175.10 175.76 3ies s ALA 209 N 1.63 3.58 -0.27 5.51 0.00 -0.63 -1.33 121.76 130.24 3ies s ALA 209 Ca 0.04 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.13 3ies s ALA 209 Cb -0.20 -3.37 0.07 0.00 0.00 0.00 0.00 23.12 19.62 3ies s ALA 209 CO 0.08 -0.82 -0.08 -0.51 0.00 0.00 0.00 175.76 174.43 3ies s LEU 210 N 2.58 3.60 0.89 0.00 1.43 0.05 -1.66 118.68 125.57 3ies s LEU 210 Ca 0.41 -1.50 -0.12 0.00 -1.03 0.00 0.00 54.13 51.89 3ies s LEU 210 Cb -0.16 -1.54 0.10 0.00 0.03 0.00 0.00 46.19 44.62 3ies s LEU 210 CO 0.10 -0.22 1.00 -2.65 0.23 0.00 0.00 176.35 174.81 3ies n PRO 211 N 4.42 -0.24 -0.27 1.29 -0.02 -1.26 -0.43 135.00 138.48 3ies n PRO 211 Ca -0.11 -0.00 0.16 0.00 -2.02 0.00 0.00 63.50 61.52 3ies n PRO 211 Cb 0.42 -2.27 0.44 0.00 -0.02 0.00 0.00 33.50 32.06 3ies n PRO 211 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ies h HIS 212 N -1.52 0.73 -0.93 6.00 3.86 -0.90 -1.29 115.15 121.09 3ies h HIS 212 Ca -0.44 0.02 0.24 0.00 -1.16 0.00 0.00 60.37 59.03 3ies h HIS 212 Cb 1.28 -0.22 -0.13 0.00 1.06 0.00 0.00 27.41 29.40 3ies h HIS 212 CO 0.46 0.21 0.45 -0.09 0.86 0.00 0.00 177.93 179.82 3ies h ARG 213 N 0.56 0.40 -0.57 2.45 2.43 -1.24 -1.41 114.38 117.00 3ies h ARG 213 Ca 0.49 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.53 3ies h ARG 213 Cb 1.00 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 3ies h ARG 213 CO -0.23 0.27 -0.05 1.79 -1.51 0.00 0.00 179.97 180.24 3ies h THR 214 N 0.42 1.27 -0.52 0.20 1.35 -1.38 -1.62 112.91 112.61 3ies h THR 214 Ca 0.60 -1.19 -0.08 0.00 -0.55 0.00 0.00 66.41 65.19 3ies h THR 214 Cb 1.18 0.87 -0.02 0.00 -1.73 0.00 0.00 68.15 68.45 3ies h THR 214 CO -0.54 0.43 -0.00 0.00 -0.25 0.00 0.00 175.52 175.16 3ies h ALA 215 N 1.00 1.01 -0.75 6.62 0.00 -1.46 -1.40 119.26 124.27 3ies h ALA 215 Ca 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3ies h ALA 215 Cb 0.60 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3ies h ALA 215 CO 0.04 0.61 0.41 0.00 0.00 0.00 0.00 179.25 180.31 3ies h VAL 217 N 1.05 1.31 -0.85 0.00 2.07 -1.04 -2.48 116.25 116.31 3ies h VAL 217 Ca 0.27 -1.25 0.21 0.00 0.82 0.00 0.00 66.70 66.75 3ies h VAL 217 Cb 0.02 1.64 -0.12 0.00 -1.52 0.00 0.00 31.29 31.31 3ies h VAL 217 CO -0.04 0.38 0.30 -0.09 0.02 0.00 0.00 177.57 178.14 3ies h ARG 218 N 0.19 0.32 0.00 1.57 9.65 -0.78 0.22 114.38 125.55 3ies h ARG 218 Ca 0.05 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.87 3ies h ARG 218 Cb 0.66 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.16 3ies h ARG 218 CO 0.04 0.21 -0.18 0.74 2.80 0.00 0.00 179.97 183.58 3ies h PHE 219 N 0.33 0.00 0.05 2.20 0.04 -0.58 0.21 116.94 119.18 3ies h PHE 219 Ca 0.52 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.29 3ies h PHE 219 Cb 0.98 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.13 3ies h PHE 219 CO -0.20 0.18 -0.02 1.03 -0.60 0.00 0.00 178.31 178.70 3ies h SER 220 N 0.00 -0.05 -0.54 2.17 0.87 -0.55 -3.27 113.55 112.17 3ies h SER 220 Ca -0.00 -0.40 0.05 0.00 -1.23 0.00 0.00 61.79 60.21 3ies h SER 220 Cb 0.61 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.54 3ies h SER 220 CO 0.02 0.38 0.27 0.45 -0.53 0.00 0.00 176.83 177.42 3ies h HIS 221 N -0.50 0.50 -0.94 2.24 3.86 -0.65 -2.59 115.15 117.08 3ies h HIS 221 Ca -0.01 0.02 0.10 0.00 -1.16 0.00 0.00 60.37 59.32 3ies h HIS 221 Cb 0.45 -0.14 -0.07 0.00 1.06 0.00 0.00 27.41 28.70 3ies h HIS 221 CO 0.07 0.23 0.60 0.00 0.86 0.00 0.00 177.93 179.69 3ies h ALA 222 N 1.30 1.57 -0.50 2.45 0.00 -0.69 -0.70 119.26 122.69 3ies h ALA 222 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3ies h ALA 222 Cb 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ies h ALA 222 CO -0.18 0.24 0.00 2.89 0.00 0.00 0.00 179.25 182.20 3ies n ARG 223 N -4.54 2.57 -2.02 0.00 1.85 -1.15 -1.02 116.66 112.35 3ies n ARG 223 Ca 0.16 -2.40 -0.42 0.00 -1.00 0.00 0.00 57.85 54.19 3ies n ARG 223 Cb 0.29 -1.53 -0.03 0.00 -1.05 0.00 0.00 32.46 30.14 3ies n ARG 223 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3ies s ASP 224 N -1.34 6.68 0.59 2.89 -1.08 -0.28 -4.52 116.67 119.61 3ies s ASP 224 Ca 0.42 2.50 0.39 0.00 -0.52 0.00 0.00 52.55 55.34 3ies s ASP 224 Cb 0.24 -2.59 1.89 0.00 -1.46 0.00 0.00 42.92 41.00 3ies s ASP 224 CO 0.32 -0.76 2.16 -0.65 0.52 0.00 0.00 175.17 176.76 3ies h PRO 225 N 6.83 0.00 0.00 4.34 0.11 -1.87 0.16 132.00 141.57 3ies h PRO 225 Ca -0.42 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.29 3ies h PRO 225 Cb 1.21 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 3ies h PRO 225 CO 0.90 0.00 -2.47 -0.89 -0.21 0.00 0.00 178.00 175.33 3ies n ILE 226 N -3.03 1.47 0.52 4.15 2.08 -1.26 -4.63 119.36 118.66 3ies n ILE 226 Ca -0.01 -0.52 0.10 0.00 0.56 0.00 0.00 62.75 62.87 3ies n ILE 226 Cb 0.17 -1.50 0.13 0.00 -0.75 0.00 0.00 39.64 37.70 3ies n ILE 226 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 3ies n PHE 227 N -3.45 0.22 -0.03 1.39 3.01 -1.21 -0.74 117.46 116.66 3ies n PHE 227 Ca -0.47 -0.13 0.00 0.00 1.01 0.00 0.00 57.45 57.86 3ies n PHE 227 Cb 0.96 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.43 3ies n PHE 227 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ies n GLY 228 N 1.17 5.59 3.04 1.37 0.00 0.03 -4.74 105.19 111.65 3ies n GLY 228 Ca 0.14 -0.85 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 3ies n GLY 228 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ies s ASN 229 N 1.06 2.10 0.32 1.61 -0.87 -0.19 -4.81 114.94 114.16 3ies s ASN 229 Ca 0.00 -0.36 -0.29 0.00 -1.57 0.00 0.00 52.86 50.65 3ies s ASN 229 Cb 0.00 -0.95 -0.12 0.00 -0.02 0.00 0.00 41.25 40.16 3ies s ASN 229 CO 0.00 0.02 1.34 1.67 -2.57 0.00 0.00 177.10 177.56 3ies n GLN 230 N 4.00 2.15 -2.33 -0.60 7.27 -1.26 -4.37 117.38 122.23 3ies n GLN 230 Ca -0.21 0.76 -0.43 0.00 0.07 0.00 0.00 57.00 57.19 3ies n GLN 230 Cb 0.52 -2.37 -0.02 0.00 2.41 0.00 0.00 30.24 30.77 3ies n GLN 230 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3ies s ILE 231 N -0.79 3.92 -0.04 1.69 1.01 -1.26 -4.98 121.20 120.74 3ies s ILE 231 Ca 0.59 0.96 0.01 0.00 0.00 0.00 0.00 60.65 62.21 3ies s ILE 231 Cb -0.58 -4.14 0.02 0.00 0.01 0.00 0.00 42.46 37.76 3ies s ILE 231 CO 0.59 -0.66 -0.05 -0.63 0.00 0.00 0.00 174.94 174.18 3ies s ILE 232 N 5.29 0.57 0.33 2.92 1.01 -1.26 -5.13 121.20 124.93 3ies s ILE 232 Ca 0.62 -0.16 -0.26 0.00 0.00 0.00 0.00 60.65 60.85 3ies s ILE 232 Cb -0.15 -0.58 -0.14 0.00 0.01 0.00 0.00 42.46 41.61 3ies s ILE 232 CO 0.31 0.22 0.79 -2.65 0.00 0.00 0.00 174.94 173.61 3ies n PRO 233 N 3.90 0.90 -2.40 2.79 -0.02 -1.26 -2.62 135.00 136.29 3ies n PRO 233 Ca -0.24 0.32 -0.19 0.00 -2.02 0.00 0.00 63.50 61.36 3ies n PRO 233 Cb 0.51 -1.63 -0.01 0.00 -0.02 0.00 0.00 33.50 32.36 3ies n PRO 233 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ies n ASP 234 N 1.27 -5.60 -4.73 2.55 8.00 -1.26 -4.98 116.55 111.80 3ies n ASP 234 Ca 0.11 -0.03 -0.41 0.00 0.71 0.00 0.00 54.79 55.18 3ies n ASP 234 Cb 0.34 -4.63 -0.04 0.00 -0.02 0.00 0.00 41.12 36.77 3ies n ASP 234 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ies s THR 235 N -2.98 4.14 -0.03 -3.53 2.01 -1.08 -4.98 115.64 109.19 3ies s THR 235 Ca 0.01 1.82 0.03 0.00 0.31 0.00 0.00 61.69 63.86 3ies s THR 235 Cb -0.01 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.35 3ies s THR 235 CO 0.01 0.30 -0.13 0.00 -0.69 0.00 0.00 174.62 174.11 3ies s ALA 236 N -0.13 1.17 0.02 7.40 0.00 -1.26 -1.10 121.76 127.86 3ies s ALA 236 Ca 0.48 -0.50 0.05 0.00 0.00 0.00 0.00 51.96 52.00 3ies s ALA 236 Cb -0.27 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 3ies s ALA 236 CO 0.32 0.20 -0.13 0.42 0.00 0.00 0.00 175.76 176.58 3ies s ILE 237 N 0.12 3.17 -0.25 0.00 -1.09 0.14 -1.10 121.20 122.19 3ies s ILE 237 Ca -0.03 -0.99 -0.04 0.00 -2.23 0.00 0.00 60.65 57.36 3ies s ILE 237 Cb -0.10 -2.36 0.01 0.00 -1.58 0.00 0.00 42.46 38.44 3ies s ILE 237 CO 0.01 0.37 -0.02 -0.22 -1.23 0.00 0.00 174.94 173.85 3ies s LEU 238 N -1.42 3.31 -0.17 2.97 2.96 -0.23 -0.30 118.68 125.80 3ies s LEU 238 Ca 0.16 -0.70 0.01 0.00 -0.22 0.00 0.00 54.13 53.37 3ies s LEU 238 Cb -0.11 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.86 3ies s LEU 238 CO 0.06 -0.12 -0.17 -0.55 -1.32 0.00 0.00 176.35 174.26 3ies s SER 239 N 1.41 3.05 0.00 3.68 0.15 -0.29 -1.23 113.70 120.47 3ies s SER 239 Ca 0.02 -0.64 0.12 0.00 0.70 0.00 0.00 55.95 56.15 3ies s SER 239 Cb -0.16 -1.35 0.32 0.00 -1.71 0.00 0.00 66.02 63.12 3ies s SER 239 CO -0.02 -0.04 1.24 1.33 1.20 0.00 0.00 173.24 176.95 3ies n VAL 240 N 4.67 0.88 -3.10 4.45 0.24 -1.23 -2.57 118.33 121.67 3ies n VAL 240 Ca -0.19 -0.94 -0.35 0.00 -2.04 0.00 0.00 64.34 60.82 3ies n VAL 240 Cb 0.49 0.59 -0.06 0.00 -1.47 0.00 0.00 33.84 33.39 3ies n VAL 240 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3ies s VAL 241 N -1.01 4.58 0.18 3.34 -7.23 -1.26 -4.88 120.40 114.13 3ies s VAL 241 Ca 0.25 1.23 -0.31 0.00 -1.81 0.00 0.00 61.98 61.33 3ies s VAL 241 Cb 0.13 -3.81 -0.10 0.00 0.56 0.00 0.00 36.38 33.15 3ies s VAL 241 CO 0.18 0.13 1.59 -2.16 -0.31 0.00 0.00 175.10 174.53 3ies s PRO 242 N -2.16 4.20 0.55 4.82 0.04 -1.26 -4.68 135.00 136.50 3ies s PRO 242 Ca 0.45 2.42 0.32 0.00 0.04 0.00 0.00 61.00 64.23 3ies s PRO 242 Cb -0.15 -3.13 1.55 0.00 0.04 0.00 0.00 34.50 32.80 3ies s PRO 242 CO 0.20 -0.63 2.08 0.74 0.04 0.00 0.00 177.00 179.43 3ies h PHE 243 N 6.62 0.00 -0.00 0.56 0.04 -1.91 -2.76 116.94 119.49 3ies h PHE 243 Ca -0.43 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.34 3ies h PHE 243 Cb 1.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.35 3ies h PHE 243 CO 0.64 0.08 -0.11 -2.39 -0.60 0.00 0.00 178.31 175.93 3ies n HIS 244 N -3.35 0.00 -4.07 -0.55 1.44 -1.26 -3.21 115.22 104.22 3ies n HIS 244 Ca -0.01 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.43 3ies n HIS 244 Cb 0.25 -0.19 -0.05 0.00 0.12 0.00 0.00 29.99 30.12 3ies n HIS 244 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 3ies s HIS 245 N -2.48 3.17 0.44 -1.40 5.65 -1.04 -4.76 115.29 114.87 3ies s HIS 245 Ca 0.29 -0.00 0.10 0.00 0.25 0.00 0.00 55.06 55.70 3ies s HIS 245 Cb 0.20 -1.53 0.99 0.00 -1.18 0.00 0.00 32.58 31.06 3ies s HIS 245 CO 0.48 0.52 2.07 0.78 -0.65 0.00 0.00 174.74 177.93 3ies h GLY 246 N 2.44 0.43 0.97 1.59 0.00 -1.86 0.25 103.07 106.88 3ies h GLY 246 Ca -0.48 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 3ies h GLY 246 CO 0.64 0.14 -0.21 -2.75 0.00 0.00 0.00 176.54 174.35 3ies h PHE 247 N 0.39 -0.55 -0.40 5.60 3.57 -1.86 -2.37 116.94 121.33 3ies h PHE 247 Ca 0.13 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.48 3ies h PHE 247 Cb 0.06 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3ies h PHE 247 CO -0.00 -0.32 -0.30 0.78 -2.23 0.00 0.00 178.31 176.24 3ies h GLY 248 N -0.64 0.96 0.91 2.40 0.00 -1.40 -2.82 103.07 102.47 3ies h GLY 248 Ca -0.06 -0.90 -0.00 0.00 0.00 0.00 0.00 47.33 46.36 3ies h GLY 248 CO 0.10 0.82 -0.02 1.98 0.00 0.00 0.00 176.54 179.41 3ies h MET 249 N 0.74 -0.06 0.00 4.80 1.85 -0.50 -2.62 114.93 119.14 3ies h MET 249 Ca 0.08 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 59.13 3ies h MET 249 Cb 0.87 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.90 3ies h MET 249 CO 0.08 0.05 -1.04 0.74 -0.40 0.00 0.00 176.91 176.33 3ies h PHE 250 N -0.16 0.00 -0.31 1.39 0.04 -1.52 -1.80 116.94 114.57 3ies h PHE 250 Ca -0.01 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 3ies h PHE 250 Cb 0.14 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 3ies h PHE 250 CO -0.04 0.16 -0.01 1.79 -0.60 0.00 0.00 178.31 179.60 3ies h THR 251 N 0.00 1.26 -0.29 -1.55 1.35 -1.60 -2.97 112.91 109.11 3ies h THR 251 Ca -0.04 -0.98 -0.07 0.00 -0.55 0.00 0.00 66.41 64.77 3ies h THR 251 Cb 1.16 1.29 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 3ies h THR 251 CO 0.01 0.32 -0.08 0.74 -0.25 0.00 0.00 175.52 176.26 3ies h THR 252 N 0.34 1.28 -0.94 6.82 2.02 -1.40 -0.06 112.91 120.99 3ies h THR 252 Ca 0.09 -1.12 0.08 0.00 0.77 0.00 0.00 66.41 66.23 3ies h THR 252 Cb 0.46 1.41 -0.07 0.00 -1.74 0.00 0.00 68.15 68.21 3ies h THR 252 CO 0.02 0.36 0.58 -0.07 0.37 0.00 0.00 175.52 176.78 3ies h LEU 253 N 0.33 0.90 -0.75 2.58 3.38 -1.44 -1.52 115.31 118.78 3ies h LEU 253 Ca 0.07 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3ies h LEU 253 Cb 0.57 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3ies h LEU 253 CO 0.03 0.54 0.15 1.23 0.09 0.00 0.00 178.44 180.48 3ies h GLY 254 N 1.02 1.18 1.23 0.83 0.00 -1.27 -1.86 103.07 104.20 3ies h GLY 254 Ca 0.43 -0.75 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 3ies h GLY 254 CO -0.21 0.69 0.23 -0.97 0.00 0.00 0.00 176.54 176.28 3ies h TYR 255 N 1.04 0.99 -0.44 5.60 0.05 -0.26 -0.86 116.97 123.09 3ies h TYR 255 Ca 0.21 -0.08 -0.04 0.00 0.05 0.00 0.00 58.73 58.88 3ies h TYR 255 Cb 0.39 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 3ies h TYR 255 CO 0.03 0.78 0.12 -0.07 -1.05 0.00 0.00 178.16 177.96 3ies h LEU 256 N 0.95 0.66 -1.48 3.88 3.38 -1.09 -1.36 115.31 120.25 3ies h LEU 256 Ca 0.22 -0.22 0.13 0.00 0.09 0.00 0.00 57.88 58.09 3ies h LEU 256 Cb 0.23 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3ies h LEU 256 CO -0.01 0.71 0.51 0.40 0.09 0.00 0.00 178.44 180.13 3ies h ILE 257 N 0.58 0.85 -0.00 1.22 1.08 -1.02 -1.98 117.51 118.23 3ies h ILE 257 Ca 0.14 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 3ies h ILE 257 Cb 0.30 0.27 0.00 0.00 -3.07 0.00 0.00 36.82 34.32 3ies h ILE 257 CO -0.00 0.10 -0.17 0.00 -0.69 0.00 0.00 178.15 177.39 3ies n GLY 259 N 1.39 0.64 3.80 0.00 0.00 -0.61 -4.84 105.19 105.57 3ies n GLY 259 Ca 0.10 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 3ies n GLY 259 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ies s PHE 260 N -2.06 2.86 -0.36 1.61 0.08 -0.62 -4.88 117.98 114.60 3ies s PHE 260 Ca 0.00 1.30 -0.20 0.00 0.12 0.00 0.00 56.93 58.16 3ies s PHE 260 Cb 0.00 -3.03 0.00 0.00 -0.57 0.00 0.00 43.02 39.42 3ies s PHE 260 CO 0.00 -1.64 0.59 0.50 -0.10 0.00 0.00 175.22 174.57 3ies s ARG 261 N -5.07 3.60 -0.46 0.44 3.52 -0.26 -4.44 118.95 116.28 3ies s ARG 261 Ca 0.60 -0.09 -0.16 0.00 -0.13 0.00 0.00 55.73 55.95 3ies s ARG 261 Cb -0.15 -3.83 0.06 0.00 -1.56 0.00 0.00 34.95 29.47 3ies s ARG 261 CO 0.55 -0.74 0.42 0.08 -0.81 0.00 0.00 175.30 174.81 3ies s VAL 262 N 2.60 5.16 -0.20 7.11 1.01 0.10 -0.68 120.40 135.50 3ies s VAL 262 Ca 0.22 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 61.20 3ies s VAL 262 Cb -0.15 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 3ies s VAL 262 CO 0.15 -0.56 0.49 -0.69 0.00 0.00 0.00 175.10 174.49 3ies s VAL 263 N 1.87 5.12 0.12 2.92 1.01 0.59 -1.30 120.40 130.72 3ies s VAL 263 Ca 0.07 0.89 0.08 0.00 0.00 0.00 0.00 61.98 63.02 3ies s VAL 263 Cb -0.22 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 3ies s VAL 263 CO 0.09 0.19 -0.13 -1.48 0.00 0.00 0.00 175.10 173.76 3ies s LEU 264 N 1.60 2.89 0.04 3.92 0.05 0.56 -1.14 118.68 126.59 3ies s LEU 264 Ca 0.23 -0.48 0.04 0.00 0.05 0.00 0.00 54.13 53.97 3ies s LEU 264 Cb -0.15 -1.70 -0.02 0.00 -2.05 0.00 0.00 46.19 42.27 3ies s LEU 264 CO 0.09 0.17 -0.13 -0.04 -0.55 0.00 0.00 176.35 175.90 3ies s MET 265 N -2.23 0.86 0.00 1.48 -1.94 -1.06 -1.72 119.30 114.68 3ies s MET 265 Ca 0.20 -0.74 0.08 0.00 -1.71 0.00 0.00 55.69 53.52 3ies s MET 265 Cb -0.11 -0.84 -0.05 0.00 2.01 0.00 0.00 34.83 35.85 3ies s MET 265 CO 0.12 0.20 0.42 2.48 -0.01 0.00 0.00 175.02 178.24 3ies n TYR 266 N 1.87 0.00 -3.91 -0.03 0.18 -1.26 -4.50 117.16 109.51 3ies n TYR 266 Ca -0.18 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.39 3ies n TYR 266 Cb 0.55 0.00 -0.17 0.00 -0.38 0.00 0.00 39.34 39.34 3ies n TYR 266 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 3ies s ARG 267 N -1.48 0.60 0.17 -3.48 0.52 -1.26 -4.89 118.95 109.13 3ies s ARG 267 Ca 0.04 0.04 -0.31 0.00 -0.52 0.00 0.00 55.73 54.99 3ies s ARG 267 Cb 0.06 -0.83 -0.09 0.00 0.52 0.00 0.00 34.95 34.61 3ies s ARG 267 CO 0.26 -0.21 1.43 0.12 0.02 0.00 0.00 175.30 176.93 3ies s PHE 268 N 1.49 3.15 -0.04 -0.53 5.36 -1.26 -5.02 117.98 121.13 3ies s PHE 268 Ca -0.02 0.92 -0.03 0.00 -0.96 0.00 0.00 56.93 56.83 3ies s PHE 268 Cb -0.13 -3.76 0.02 0.00 -0.34 0.00 0.00 43.02 38.80 3ies s PHE 268 CO -0.03 -2.64 0.10 -1.21 -1.46 0.00 0.00 175.22 169.98 3ies s GLU 269 N 0.63 0.10 0.07 10.12 2.02 -1.26 -5.09 118.70 125.30 3ies s GLU 269 Ca 0.64 0.18 -0.31 0.00 0.02 0.00 0.00 54.97 55.50 3ies s GLU 269 Cb -0.40 0.00 -0.18 0.00 0.10 0.00 0.00 34.13 33.65 3ies s GLU 269 CO 0.34 -0.05 1.61 1.49 0.02 0.00 0.00 175.26 178.67 3ies h GLU 270 N 6.27 -0.73 -0.31 1.61 4.81 -1.99 -0.66 114.58 123.58 3ies h GLU 270 Ca -0.29 0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.96 3ies h GLU 270 Cb 1.19 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.72 3ies h GLU 270 CO 0.44 -0.48 0.08 0.93 -0.73 0.00 0.00 179.01 179.26 3ies h GLU 271 N -0.78 0.48 -0.76 1.92 5.08 -1.99 -2.05 114.58 116.48 3ies h GLU 271 Ca -0.08 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3ies h GLU 271 Cb 0.59 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 3ies h GLU 271 CO 0.13 0.55 0.50 1.25 -1.00 0.00 0.00 179.01 180.44 3ies h LEU 272 N 0.33 0.87 0.29 1.33 5.85 -1.97 0.18 115.31 122.19 3ies h LEU 272 Ca 0.10 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3ies h LEU 272 Cb 0.28 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3ies h LEU 272 CO -0.00 0.63 -0.14 0.15 -0.34 0.00 0.00 178.44 178.74 3ies h PHE 273 N 1.03 -0.36 -0.57 1.25 3.04 -0.99 0.61 116.94 120.94 3ies h PHE 273 Ca 0.28 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.19 3ies h PHE 273 Cb -0.11 0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.49 3ies h PHE 273 CO -0.02 -0.14 0.21 -0.07 -2.02 0.00 0.00 178.31 176.27 3ies h LEU 274 N -0.51 0.81 -0.89 0.59 3.38 -1.20 -0.71 115.31 116.78 3ies h LEU 274 Ca -0.04 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 3ies h LEU 274 Cb 0.38 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3ies h LEU 274 CO 0.07 0.77 -0.08 -0.09 0.09 0.00 0.00 178.44 179.20 3ies h ARG 275 N 0.80 0.73 -0.28 1.13 2.43 -0.64 -1.45 114.38 117.10 3ies h ARG 275 Ca 0.19 -0.22 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 3ies h ARG 275 Cb 0.23 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3ies h ARG 275 CO -0.01 0.80 0.04 0.77 -1.51 0.00 0.00 179.97 180.05 3ies h SER 276 N 0.67 0.46 -0.56 -3.80 0.02 -0.62 0.21 113.55 109.93 3ies h SER 276 Ca 0.12 -0.27 0.11 0.00 -0.84 0.00 0.00 61.79 60.91 3ies h SER 276 Cb 0.53 -0.12 -0.10 0.00 0.14 0.00 0.00 62.40 62.85 3ies h SER 276 CO 0.03 0.61 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.25 3ies h LEU 277 N 0.28 -0.28 0.45 5.07 3.38 -0.78 -0.86 115.31 122.57 3ies h LEU 277 Ca 0.08 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 3ies h LEU 277 Cb 0.36 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3ies h LEU 277 CO 0.01 -0.11 -0.22 -0.61 0.09 0.00 0.00 178.44 177.60 3ies h GLN 278 N 0.10 -0.58 0.00 1.13 4.15 -1.09 -2.09 115.11 116.73 3ies h GLN 278 Ca 0.29 0.04 -0.17 0.00 0.77 0.00 0.00 58.65 59.58 3ies h GLN 278 Cb 0.45 0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.25 3ies h GLN 278 CO -0.49 -0.29 -0.79 -0.44 -1.93 0.00 0.00 178.83 174.89 3ies h ASP 279 N -0.85 0.00 -0.45 -0.69 3.32 -0.43 -2.24 116.42 115.08 3ies h ASP 279 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3ies h ASP 279 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3ies h ASP 279 CO 0.10 0.79 0.00 -1.22 -1.72 0.00 0.00 179.24 177.19 3ies n TYR 280 N -3.43 0.60 -3.94 4.55 4.01 -0.34 -4.94 117.16 113.67 3ies n TYR 280 Ca 0.00 -0.30 -0.26 0.00 -0.16 0.00 0.00 57.90 57.18 3ies n TYR 280 Cb 0.81 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.83 3ies n TYR 280 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3ies n LYS 281 N 0.96 -3.80 -1.99 -0.72 5.02 -0.84 -4.83 118.16 111.96 3ies n LYS 281 Ca 0.17 0.46 -0.41 0.00 -2.02 0.00 0.00 58.31 56.51 3ies n LYS 281 Cb 0.44 -4.81 -0.02 0.00 -0.02 0.00 0.00 35.03 30.62 3ies n LYS 281 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ies s ILE 282 N -3.76 2.52 -0.17 -0.18 -1.09 -0.80 -4.72 121.20 113.00 3ies s ILE 282 Ca 0.16 0.47 0.07 0.00 -2.23 0.00 0.00 60.65 59.12 3ies s ILE 282 Cb -0.08 -3.30 -0.23 0.00 -1.58 0.00 0.00 42.46 37.27 3ies s ILE 282 CO 0.87 0.09 0.18 0.00 -1.23 0.00 0.00 174.94 174.86 3ies n GLN 283 N 1.48 0.68 -3.77 2.79 3.00 -0.26 -2.85 117.38 118.46 3ies n GLN 283 Ca 0.04 0.16 -0.15 0.00 -0.01 0.00 0.00 57.00 57.04 3ies n GLN 283 Cb 0.40 -1.62 -0.16 0.00 0.00 0.00 0.00 30.24 28.86 3ies n GLN 283 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3ies s SER 284 N -6.27 0.07 -0.03 1.08 0.15 -1.16 -0.16 113.70 107.37 3ies s SER 284 Ca -0.19 0.06 0.07 0.00 0.70 0.00 0.00 55.95 56.60 3ies s SER 284 Cb 0.07 -0.05 -0.02 0.00 -1.71 0.00 0.00 66.02 64.32 3ies s SER 284 CO 0.75 -0.13 -0.24 0.00 1.20 0.00 0.00 173.24 174.81 3ies s ALA 285 N 1.10 2.06 -0.24 5.45 0.00 -0.79 -1.07 121.76 128.27 3ies s ALA 285 Ca -0.09 -1.04 -0.07 0.00 0.00 0.00 0.00 51.96 50.76 3ies s ALA 285 Cb -0.13 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 3ies s ALA 285 CO -0.03 0.47 0.05 -0.51 0.00 0.00 0.00 175.76 175.74 3ies s LEU 286 N -0.45 3.38 0.28 0.00 1.43 -0.37 -0.32 118.68 122.64 3ies s LEU 286 Ca 0.06 -0.22 0.04 0.00 -1.03 0.00 0.00 54.13 52.98 3ies s LEU 286 Cb -0.11 -1.90 -0.06 0.00 0.03 0.00 0.00 46.19 44.16 3ies s LEU 286 CO 0.00 -0.02 0.04 -0.76 0.23 0.00 0.00 176.35 175.84 3ies s LEU 287 N 1.50 2.13 0.24 1.79 1.43 0.02 -3.54 118.68 122.26 3ies s LEU 287 Ca 0.06 -1.32 0.08 0.00 -1.03 0.00 0.00 54.13 51.92 3ies s LEU 287 Cb -0.15 -0.32 -0.04 0.00 0.03 0.00 0.00 46.19 45.72 3ies s LEU 287 CO 0.03 -0.57 0.11 0.68 0.23 0.00 0.00 176.35 176.82 3ies s VAL 288 N -3.37 4.06 0.52 -1.59 -7.23 -1.26 -3.66 120.40 107.87 3ies s VAL 288 Ca 0.34 -1.56 0.22 0.00 -1.81 0.00 0.00 61.98 59.17 3ies s VAL 288 Cb 0.07 -3.17 0.36 0.00 0.56 0.00 0.00 36.38 34.20 3ies s VAL 288 CO 0.13 -0.32 2.03 -0.65 -0.31 0.00 0.00 175.10 175.98 3ies h PRO 289 N 1.78 0.03 0.00 4.82 0.11 -1.87 0.20 132.00 137.07 3ies h PRO 289 Ca -0.47 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 3ies h PRO 289 Cb 1.24 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3ies h PRO 289 CO 0.61 0.02 -0.25 1.79 -0.21 0.00 0.00 178.00 179.96 3ies h THR 290 N 0.03 0.65 0.00 -1.15 1.35 -1.95 -1.59 112.91 110.26 3ies h THR 290 Ca 0.19 -1.13 -0.09 0.00 -0.55 0.00 0.00 66.41 64.83 3ies h THR 290 Cb 0.72 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.86 3ies h THR 290 CO -0.01 0.24 -0.43 -0.07 -0.25 0.00 0.00 175.52 175.01 3ies h LEU 291 N 0.00 0.00 -0.12 3.87 3.38 -1.01 -2.21 115.31 119.21 3ies h LEU 291 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3ies h LEU 291 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3ies h LEU 291 CO 0.03 0.43 0.05 -0.26 0.09 0.00 0.00 178.44 178.78 3ies h PHE 292 N 0.00 0.19 -0.97 1.13 0.04 -0.94 -0.48 116.94 115.92 3ies h PHE 292 Ca -0.00 -0.02 0.10 0.00 2.80 0.00 0.00 57.97 60.85 3ies h PHE 292 Cb 1.22 -0.06 -0.07 0.00 2.20 0.00 0.00 35.95 39.24 3ies h PHE 292 CO 0.00 0.29 0.62 0.77 -0.60 0.00 0.00 178.31 179.39 3ies h SER 293 N 0.04 0.91 -0.06 2.17 0.02 -1.29 0.61 113.55 115.95 3ies h SER 293 Ca 0.04 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3ies h SER 293 Cb 0.18 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 3ies h SER 293 CO -0.00 0.52 0.04 0.15 -1.14 0.00 0.00 176.83 176.39 3ies h PHE 294 N 0.99 0.07 0.00 3.45 3.04 -1.02 -2.76 116.94 120.72 3ies h PHE 294 Ca 0.46 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.41 3ies h PHE 294 Cb 0.40 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.88 3ies h PHE 294 CO -0.00 0.08 0.00 0.74 -2.02 0.00 0.00 178.31 177.10 3ies h PHE 295 N 0.05 0.00 0.00 0.41 0.04 -0.21 -0.03 116.94 117.20 3ies h PHE 295 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3ies h PHE 295 Cb 0.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.17 3ies h PHE 295 CO -0.07 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.64 3ies h ALA 296 N 2.26 1.00 0.00 2.45 0.00 -0.64 -3.09 119.26 121.25 3ies h ALA 296 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 3ies h ALA 296 Cb 0.62 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 3ies h ALA 296 CO 0.00 0.00 -2.03 1.63 0.00 0.00 0.00 179.25 178.85 3ies n LYS 297 N -2.52 0.66 -1.80 0.00 5.02 -0.08 -4.99 118.16 114.45 3ies n LYS 297 Ca 0.02 0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.93 3ies n LYS 297 Cb 0.28 -1.61 -0.00 0.00 -0.02 0.00 0.00 35.03 33.68 3ies n LYS 297 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3ies s SER 298 N -5.41 6.35 0.00 4.39 0.15 -0.87 -4.93 113.70 113.37 3ies s SER 298 Ca -0.07 3.04 0.09 0.00 0.70 0.00 0.00 55.95 59.70 3ies s SER 298 Cb 0.08 -2.66 0.03 0.00 -1.71 0.00 0.00 66.02 61.77 3ies s SER 298 CO 0.84 -0.88 0.68 0.35 1.20 0.00 0.00 173.24 175.44 3ies n THR 299 N 0.70 0.00 1.13 6.45 -2.24 -1.26 -4.69 114.28 114.37 3ies n THR 299 Ca 0.02 -0.46 0.13 0.00 -2.27 0.00 0.00 64.05 61.48 3ies n THR 299 Cb 0.39 1.15 0.51 0.00 -2.10 0.00 0.00 70.33 70.28 3ies n THR 299 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ies n LEU 300 N 0.12 0.28 -0.37 3.22 4.77 -1.26 -4.11 117.00 119.64 3ies n LEU 300 Ca 0.04 0.21 0.01 0.00 -0.03 0.00 0.00 56.01 56.24 3ies n LEU 300 Cb 0.20 -0.33 0.15 0.00 -2.33 0.00 0.00 43.42 41.11 3ies n LEU 300 CO 0.08 0.06 1.27 0.40 -1.33 0.00 0.00 177.39 177.88 3ies h ILE 301 N 0.16 1.15 -0.04 -0.08 2.04 -1.94 -0.86 117.51 117.94 3ies h ILE 301 Ca 0.00 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.44 3ies h ILE 301 Cb 0.45 -0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 3ies h ILE 301 CO 0.00 0.23 0.00 -0.90 0.00 0.00 0.00 178.15 177.48 3ies n ASP 302 N -4.46 0.24 -0.30 1.72 5.68 -1.26 -2.05 116.55 116.12 3ies n ASP 302 Ca 0.14 -1.74 0.14 0.00 -0.50 0.00 0.00 54.79 52.82 3ies n ASP 302 Cb 0.12 -0.02 0.47 0.00 -1.14 0.00 0.00 41.12 40.55 3ies n ASP 302 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3ies n LYS 303 N -0.49 1.09 -4.28 0.11 5.02 -0.33 -4.91 118.16 114.38 3ies n LYS 303 Ca 0.08 -0.60 -0.29 0.00 -2.02 0.00 0.00 58.31 55.47 3ies n LYS 303 Cb 0.07 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.49 3ies n LYS 303 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3ies s TYR 304 N -2.32 2.61 -0.62 2.13 1.51 -0.87 -5.08 117.35 114.71 3ies s TYR 304 Ca 0.30 -0.22 -0.22 0.00 -1.01 0.00 0.00 57.07 55.91 3ies s TYR 304 Cb 0.20 -1.36 0.07 0.00 -0.11 0.00 0.00 41.96 40.76 3ies s TYR 304 CO 0.45 0.42 0.89 0.34 -1.11 0.00 0.00 175.55 176.54 3ies s ASP 305 N -2.26 6.21 -0.36 2.29 -1.08 -1.26 -4.87 116.67 115.33 3ies s ASP 305 Ca 0.20 -0.94 0.06 0.00 -0.52 0.00 0.00 52.55 51.35 3ies s ASP 305 Cb -0.10 -2.39 0.53 0.00 -1.46 0.00 0.00 42.92 39.49 3ies s ASP 305 CO 0.12 -1.31 1.59 0.18 0.52 0.00 0.00 175.17 176.27 3ies n LEU 306 N 7.34 5.08 0.05 -1.34 4.77 -1.26 -4.40 117.00 127.23 3ies n LEU 306 Ca -0.04 -3.90 0.09 0.00 -0.03 0.00 0.00 56.01 52.14 3ies n LEU 306 Cb 0.45 -0.69 0.40 0.00 -2.33 0.00 0.00 43.42 41.26 3ies n LEU 306 CO 0.62 1.33 0.80 -1.54 -1.33 0.00 0.00 177.39 177.27 3ies n SER 307 N -1.08 0.25 0.01 -1.43 3.41 -1.26 -2.02 113.62 111.50 3ies n SER 307 Ca 0.43 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.71 3ies n SER 307 Cb 1.13 -0.61 0.28 0.00 -0.26 0.00 0.00 64.21 64.74 3ies n SER 307 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3ies n ASN 308 N -1.77 0.47 -4.68 4.04 3.02 -1.26 -4.89 115.26 110.19 3ies n ASN 308 Ca 0.03 -0.12 -0.42 0.00 -0.03 0.00 0.00 54.58 54.04 3ies n ASN 308 Cb 0.22 0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 39.52 3ies n ASN 308 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3ies s LEU 309 N -3.17 4.30 -0.21 3.41 2.96 -0.85 -4.23 118.68 120.88 3ies s LEU 309 Ca 0.11 2.01 0.11 0.00 -0.22 0.00 0.00 54.13 56.13 3ies s LEU 309 Cb 0.17 -3.56 -0.21 0.00 0.50 0.00 0.00 46.19 43.10 3ies s LEU 309 CO 0.69 -0.70 -0.05 1.57 -1.32 0.00 0.00 176.35 176.54 3ies n HIS 310 N 5.51 0.00 -3.65 5.38 -0.00 0.77 -4.99 115.22 118.24 3ies n HIS 310 Ca 0.13 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.70 3ies n HIS 310 Cb 0.44 -0.96 -0.07 0.00 -0.00 0.00 0.00 29.99 29.41 3ies n HIS 310 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 3ies s GLU 311 N -2.48 0.88 -0.09 1.57 -1.05 -0.63 -4.93 118.70 111.97 3ies s GLU 311 Ca -0.19 -0.11 0.03 0.00 -0.15 0.00 0.00 54.97 54.55 3ies s GLU 311 Cb 0.07 0.40 0.01 0.00 -0.44 0.00 0.00 34.13 34.16 3ies s GLU 311 CO 0.70 -0.28 -0.19 0.42 0.95 0.00 0.00 175.26 176.87 3ies s ILE 312 N -1.69 1.67 0.02 1.83 1.01 -1.26 -1.88 121.20 120.90 3ies s ILE 312 Ca -0.10 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.80 3ies s ILE 312 Cb -0.02 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 3ies s ILE 312 CO 0.04 0.47 -0.08 0.00 0.00 0.00 0.00 174.94 175.37 3ies s ALA 313 N 0.50 2.97 0.03 9.38 0.00 0.56 -1.15 121.76 134.06 3ies s ALA 313 Ca -0.17 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 50.74 3ies s ALA 313 Cb -0.17 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 21.87 3ies s ALA 313 CO 0.06 0.62 -0.06 0.45 0.00 0.00 0.00 175.76 176.83 3ies s SER 314 N -1.54 0.65 0.07 0.00 0.15 -0.79 -0.80 113.70 111.43 3ies s SER 314 Ca 0.18 -0.54 -0.28 0.00 0.70 0.00 0.00 55.95 56.01 3ies s SER 314 Cb -0.11 0.06 0.09 0.00 -1.71 0.00 0.00 66.02 64.35 3ies s SER 314 CO 0.08 -0.24 1.11 -0.83 1.20 0.00 0.00 173.24 174.56 3ies s GLY 315 N -1.55 -0.32 0.00 9.45 0.00 -1.24 -0.78 107.32 112.88 3ies s GLY 315 Ca -0.12 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.03 3ies s GLY 315 CO -0.00 0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.78 3ies n GLY 316 N -0.47 0.70 3.61 0.20 0.00 -1.26 -4.41 105.19 103.56 3ies n GLY 316 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 3ies n GLY 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ies s ALA 317 N -2.06 -2.12 0.26 4.61 0.00 -1.26 -5.04 121.76 116.15 3ies s ALA 317 Ca 0.00 1.18 -0.31 0.00 0.00 0.00 0.00 51.96 52.83 3ies s ALA 317 Cb 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 23.12 23.11 3ies s ALA 317 CO 0.00 -0.80 1.64 -2.30 0.00 0.00 0.00 175.76 174.30 3ies n PRO 318 N -0.27 2.73 -4.34 0.00 -0.02 -1.26 -4.81 135.00 127.03 3ies n PRO 318 Ca -0.04 0.98 -0.32 0.00 -2.02 0.00 0.00 63.50 62.10 3ies n PRO 318 Cb 0.60 -2.78 -0.16 0.00 -0.02 0.00 0.00 33.50 31.14 3ies n PRO 318 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3ies s LEU 319 N 0.08 2.03 0.48 2.45 0.20 -1.26 -4.85 118.68 117.81 3ies s LEU 319 Ca 0.68 -0.59 -0.22 0.00 0.69 0.00 0.00 54.13 54.69 3ies s LEU 319 Cb -0.50 -1.39 -0.07 0.00 -0.43 0.00 0.00 46.19 43.80 3ies s LEU 319 CO 0.43 0.02 1.16 -0.94 -0.29 0.00 0.00 176.35 176.73 3ies s SER 320 N 1.11 6.07 0.39 3.68 1.04 -1.26 -4.90 113.70 119.83 3ies s SER 320 Ca -0.01 2.28 0.07 0.00 0.48 0.00 0.00 55.95 58.77 3ies s SER 320 Cb -0.14 -2.60 0.79 0.00 0.10 0.00 0.00 66.02 64.17 3ies s SER 320 CO -0.08 -0.98 1.99 0.07 0.98 0.00 0.00 173.24 175.22 3ies h LYS 321 N 1.86 0.49 0.00 4.02 2.10 -1.92 -1.58 116.57 121.55 3ies h LYS 321 Ca -0.49 -0.06 -0.24 0.00 -2.00 0.00 0.00 60.65 57.86 3ies h LYS 321 Cb 1.25 -0.10 0.01 0.00 -0.90 0.00 0.00 32.23 32.49 3ies h LYS 321 CO 0.59 0.41 -0.97 1.05 -2.00 0.00 0.00 179.45 178.53 3ies h GLU 322 N 0.49 0.47 -0.71 0.07 9.09 -1.97 0.10 114.58 122.12 3ies h GLU 322 Ca 0.12 -0.51 -0.04 0.00 0.05 0.00 0.00 59.36 58.98 3ies h GLU 322 Cb 0.09 0.15 -0.03 0.00 -1.65 0.00 0.00 28.75 27.31 3ies h GLU 322 CO -0.01 1.16 0.29 0.28 0.05 0.00 0.00 179.01 180.78 3ies h VAL 323 N 0.26 1.25 -0.43 -1.06 2.07 -1.90 -0.97 116.25 115.47 3ies h VAL 323 Ca -0.09 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.67 3ies h VAL 323 Cb 1.62 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3ies h VAL 323 CO 0.17 0.31 0.27 1.23 0.02 0.00 0.00 177.57 179.57 3ies h GLY 324 N 1.01 0.61 1.12 2.17 0.00 -1.13 -1.55 103.07 105.28 3ies h GLY 324 Ca 0.24 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3ies h GLY 324 CO -0.02 0.23 0.22 0.83 0.00 0.00 0.00 176.54 177.80 3ies h GLU 325 N 0.57 1.11 -0.75 4.80 5.08 -0.67 -1.09 114.58 123.63 3ies h GLU 325 Ca 0.16 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3ies h GLU 325 Cb -0.04 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 3ies h GLU 325 CO -0.03 0.94 0.31 0.00 -1.00 0.00 0.00 179.01 179.23 3ies h ALA 326 N 1.17 0.98 -0.16 3.43 0.00 -0.90 -1.28 119.26 122.50 3ies h ALA 326 Ca 0.23 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3ies h ALA 326 Cb 0.30 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ies h ALA 326 CO -0.01 0.59 -0.27 0.28 0.00 0.00 0.00 179.25 179.85 3ies h VAL 327 N 1.08 1.35 -0.68 0.00 2.07 -1.08 -1.82 116.25 117.17 3ies h VAL 327 Ca 0.25 -1.50 0.04 0.00 0.82 0.00 0.00 66.70 66.32 3ies h VAL 327 Cb 0.20 1.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 3ies h VAL 327 CO -0.02 0.45 0.41 0.00 0.02 0.00 0.00 177.57 178.42 3ies h ALA 328 N 0.58 0.89 -0.48 1.67 0.00 -1.11 -1.64 119.26 119.17 3ies h ALA 328 Ca 0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3ies h ALA 328 Cb 0.84 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3ies h ALA 328 CO 0.06 0.14 -0.03 -0.22 0.00 0.00 0.00 179.25 179.20 3ies h LYS 329 N 0.78 0.87 -0.18 0.00 3.11 -1.20 0.19 116.57 120.13 3ies h LYS 329 Ca 0.28 -0.29 -0.03 0.00 -2.81 0.00 0.00 60.65 57.81 3ies h LYS 329 Cb 0.08 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.23 3ies h LYS 329 CO -0.13 0.93 -0.01 0.00 -2.81 0.00 0.00 179.45 177.42 3ies h ARG 330 N 0.73 0.26 -0.53 1.90 3.08 -0.86 -2.02 114.38 116.94 3ies h ARG 330 Ca 0.13 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3ies h ARG 330 Cb 0.55 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3ies h ARG 330 CO 0.03 0.29 0.00 1.19 -1.07 0.00 0.00 179.97 180.41 3ies n PHE 331 N -4.37 0.70 -3.64 3.04 3.72 -0.66 -4.79 117.46 111.45 3ies n PHE 331 Ca -0.00 -0.35 -0.23 0.00 -0.05 0.00 0.00 57.45 56.82 3ies n PHE 331 Cb 0.18 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.78 3ies n PHE 331 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3ies n HIS 332 N 1.37 -2.38 -4.25 1.38 8.25 -0.46 -5.00 115.22 114.14 3ies n HIS 332 Ca 0.21 0.94 -0.29 0.00 -0.26 0.00 0.00 57.72 58.31 3ies n HIS 332 Cb 0.56 -4.69 -0.10 0.00 1.12 0.00 0.00 29.99 26.88 3ies n HIS 332 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3ies s LEU 333 N -6.92 2.98 0.41 2.41 1.43 0.53 -5.02 118.68 114.49 3ies s LEU 333 Ca 0.32 -0.45 0.18 0.00 -1.03 0.00 0.00 54.13 53.15 3ies s LEU 333 Cb -0.15 -1.76 0.87 0.00 0.03 0.00 0.00 46.19 45.19 3ies s LEU 333 CO 0.77 0.16 1.85 -0.65 0.23 0.00 0.00 176.35 178.71 3ies h PRO 334 N 3.48 0.00 0.00 1.29 0.11 -1.92 -3.37 132.00 131.59 3ies h PRO 334 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3ies h PRO 334 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3ies h PRO 334 CO 0.51 0.32 0.00 0.41 -0.21 0.00 0.00 178.00 179.03 3ies n GLY 335 N -0.30 1.66 3.26 -0.55 0.00 -1.26 -5.01 105.19 102.99 3ies n GLY 335 Ca -0.01 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 3ies n GLY 335 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ies s ILE 336 N -2.53 1.87 -0.75 -0.61 -1.09 -1.26 -4.67 121.20 112.15 3ies s ILE 336 Ca 0.00 -1.00 -0.20 0.00 -2.23 0.00 0.00 60.65 57.23 3ies s ILE 336 Cb 0.00 -1.56 0.11 0.00 -1.58 0.00 0.00 42.46 39.42 3ies s ILE 336 CO 0.00 0.53 0.96 -0.60 -1.23 0.00 0.00 174.94 174.59 3ies s ARG 337 N -0.40 3.30 0.33 2.79 6.06 -0.30 -4.91 118.95 125.82 3ies s ARG 337 Ca 0.05 -1.38 -0.06 0.00 -2.50 0.00 0.00 55.73 51.85 3ies s ARG 337 Cb -0.10 -4.51 -0.05 0.00 0.06 0.00 0.00 34.95 30.35 3ies s ARG 337 CO 0.00 -1.71 0.62 -0.65 -2.50 0.00 0.00 175.30 171.06 3ies s GLN 338 N 3.04 3.64 0.00 5.12 -0.21 -1.26 -1.88 119.66 128.11 3ies s GLN 338 Ca 0.23 0.09 -0.02 0.00 0.02 0.00 0.00 55.36 55.69 3ies s GLN 338 Cb -0.14 -2.57 -0.01 0.00 1.00 0.00 0.00 33.01 31.29 3ies s GLN 338 CO 0.01 0.12 0.03 0.20 -2.12 0.00 0.00 175.29 173.53 3ies s GLY 339 N -3.30 0.09 -0.08 3.09 0.00 0.04 -1.51 107.32 105.64 3ies s GLY 339 Ca 0.45 -0.21 0.03 0.00 0.00 0.00 0.00 44.72 44.99 3ies s GLY 339 CO 0.32 -0.28 -0.18 -0.47 0.00 0.00 0.00 173.10 172.50 3ies s TYR 340 N -0.84 1.99 0.30 1.90 6.14 0.11 -4.16 117.35 122.78 3ies s TYR 340 Ca -0.09 -0.80 -0.20 0.00 0.64 0.00 0.00 57.07 56.62 3ies s TYR 340 Cb -0.06 -1.38 0.03 0.00 0.42 0.00 0.00 41.96 40.97 3ies s TYR 340 CO -0.00 -0.36 0.75 0.20 0.64 0.00 0.00 175.55 176.78 3ies s GLY 341 N 0.55 0.01 0.28 8.97 0.00 -1.26 -0.90 107.32 114.97 3ies s GLY 341 Ca -0.16 -0.40 0.07 0.00 0.00 0.00 0.00 44.72 44.23 3ies s GLY 341 CO 0.05 -0.12 -0.07 1.08 0.00 0.00 0.00 173.10 174.04 3ies s LEU 342 N -2.96 2.52 0.28 0.66 1.43 -1.26 -4.83 118.68 114.52 3ies s LEU 342 Ca 0.12 -1.17 0.01 0.00 -1.03 0.00 0.00 54.13 52.06 3ies s LEU 342 Cb -0.06 -0.69 0.53 0.00 0.03 0.00 0.00 46.19 46.00 3ies s LEU 342 CO 0.08 -0.30 1.86 0.74 0.23 0.00 0.00 176.35 178.96 3ies h THR 343 N 2.28 0.97 0.00 5.49 2.02 -1.92 -0.59 112.91 121.16 3ies h THR 343 Ca -0.40 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.43 3ies h THR 343 Cb 1.24 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 3ies h THR 343 CO 0.67 0.19 0.00 -0.62 0.37 0.00 0.00 175.52 176.12 3ies n GLU 344 N -4.57 0.06 -0.22 6.66 4.71 -1.26 -1.65 120.64 124.37 3ies n GLU 344 Ca 0.18 0.25 0.07 0.00 -0.01 0.00 0.00 57.16 57.64 3ies n GLU 344 Cb 0.31 -1.50 0.16 0.00 -1.01 0.00 0.00 31.44 29.40 3ies n GLU 344 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3ies n THR 345 N -1.42 1.63 0.00 2.62 -2.24 -0.24 -0.86 114.28 113.77 3ies n THR 345 Ca 0.04 -1.57 0.00 0.00 -2.27 0.00 0.00 64.05 60.25 3ies n THR 345 Cb 0.13 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 3ies n THR 345 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3ies n THR 346 N -0.44 0.00 -3.32 4.28 -1.04 -0.66 -4.52 114.28 108.58 3ies n THR 346 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 3ies n THR 346 Cb 0.60 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 3ies n THR 346 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3ies n SER 347 N 2.85 0.33 -4.73 8.00 2.88 -1.26 -4.74 113.62 116.94 3ies n SER 347 Ca 0.00 -0.32 -0.41 0.00 -1.33 0.00 0.00 58.87 56.81 3ies n SER 347 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 3ies n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ies s ALA 348 N -2.00 3.47 -0.93 -1.46 0.00 -1.26 -4.18 121.76 115.39 3ies s ALA 348 Ca 0.00 0.99 0.10 0.00 0.00 0.00 0.00 51.96 53.05 3ies s ALA 348 Cb 0.00 -3.45 -0.00 0.00 0.00 0.00 0.00 23.12 19.67 3ies s ALA 348 CO 0.00 -0.45 0.64 0.44 0.00 0.00 0.00 175.76 176.39 3ies n ILE 349 N 2.96 0.00 -4.55 0.00 -0.00 -0.08 -4.85 119.36 112.84 3ies n ILE 349 Ca 0.06 -0.39 -0.31 0.00 -0.00 0.00 0.00 62.75 62.11 3ies n ILE 349 Cb 0.44 1.12 -0.17 0.00 -0.00 0.00 0.00 39.64 41.04 3ies n ILE 349 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 3ies s LEU 350 N -1.64 1.99 -0.01 7.28 1.43 -1.03 -1.69 118.68 125.02 3ies s LEU 350 Ca 0.08 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 3ies s LEU 350 Cb 0.08 -1.34 -0.00 0.00 0.03 0.00 0.00 46.19 44.96 3ies s LEU 350 CO 0.26 0.05 -0.04 -0.63 0.23 0.00 0.00 176.35 176.22 3ies s ILE 351 N 0.92 0.35 -0.19 -0.59 1.01 -0.47 -0.71 121.20 121.52 3ies s ILE 351 Ca -0.06 -0.17 -0.33 0.00 0.00 0.00 0.00 60.65 60.09 3ies s ILE 351 Cb -0.15 -0.32 -0.10 0.00 0.01 0.00 0.00 42.46 41.90 3ies s ILE 351 CO -0.03 0.11 2.05 0.41 0.00 0.00 0.00 174.94 177.48 3ies n THR 352 N 3.09 0.43 -2.21 2.92 -1.04 -0.57 -1.63 114.28 115.27 3ies n THR 352 Ca -0.14 -0.23 -0.41 0.00 -2.04 0.00 0.00 64.05 61.23 3ies n THR 352 Cb 0.58 -1.99 -0.03 0.00 -1.82 0.00 0.00 70.33 67.07 3ies n THR 352 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3ies s PRO 353 N 5.21 4.42 0.14 -2.82 0.02 -1.26 -4.81 135.00 135.90 3ies s PRO 353 Ca 0.99 2.09 -0.31 0.00 0.02 0.00 0.00 61.00 63.79 3ies s PRO 353 Cb -0.65 -3.14 -0.11 0.00 0.02 0.00 0.00 34.50 30.63 3ies s PRO 353 CO 0.47 -0.14 1.82 -1.91 -0.33 0.00 0.00 177.00 176.91 3ies n GLU 354 N 1.54 2.80 -0.78 5.54 4.07 0.08 -1.03 120.64 132.86 3ies n GLU 354 Ca 0.02 1.02 0.00 0.00 -0.06 0.00 0.00 57.16 58.14 3ies n GLU 354 Cb 0.43 -2.90 0.00 0.00 -0.06 0.00 0.00 31.44 28.90 3ies n GLU 354 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ies n GLY 355 N 4.19 1.22 2.57 8.31 0.00 -1.26 -4.89 105.19 115.33 3ies n GLY 355 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 3ies n GLY 355 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ies n ASP 356 N 0.00 2.69 -4.83 1.61 2.03 -0.20 -5.07 116.55 112.78 3ies n ASP 356 Ca 0.00 -2.81 -0.33 0.00 0.52 0.00 0.00 54.79 52.17 3ies n ASP 356 Cb 0.00 -0.46 -0.07 0.00 -0.72 0.00 0.00 41.12 39.87 3ies n ASP 356 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 3ies s ASP 357 N -3.54 6.91 -0.11 1.67 -4.77 -1.24 -4.49 116.67 111.10 3ies s ASP 357 Ca 0.35 1.56 -0.02 0.00 -3.30 0.00 0.00 52.55 51.14 3ies s ASP 357 Cb 0.39 -2.48 0.04 0.00 -1.09 0.00 0.00 42.92 39.77 3ies s ASP 357 CO -0.02 -0.28 0.04 -0.75 0.70 0.00 0.00 175.17 174.85 3ies s LYS 358 N -3.01 0.39 0.17 2.11 2.20 -1.26 -5.08 119.74 115.25 3ies s LYS 358 Ca 0.58 0.02 -0.34 0.00 -0.36 0.00 0.00 55.97 55.88 3ies s LYS 358 Cb -0.10 -1.26 -0.14 0.00 -1.51 0.00 0.00 37.83 34.81 3ies s LYS 358 CO 0.15 -0.44 1.44 -2.30 -0.36 0.00 0.00 175.35 173.84 3ies n PRO 359 N 5.18 1.82 0.00 4.03 -0.02 -1.26 -1.19 135.00 143.56 3ies n PRO 359 Ca -0.07 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3ies n PRO 359 Cb 0.49 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3ies n PRO 359 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ies n GLY 360 N 2.74 1.86 3.88 -1.23 0.00 -1.26 -4.94 105.19 106.23 3ies n GLY 360 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3ies n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ies s ALA 361 N -2.33 3.27 -2.18 4.61 0.00 -0.33 -4.66 121.76 120.13 3ies s ALA 361 Ca 0.00 -0.24 0.20 0.00 0.00 0.00 0.00 51.96 51.92 3ies s ALA 361 Cb 0.00 -2.80 0.31 0.00 0.00 0.00 0.00 23.12 20.63 3ies s ALA 361 CO 0.00 -0.32 1.26 1.55 0.00 0.00 0.00 175.76 178.25 3ies n VAL 362 N -2.02 0.39 0.00 0.00 3.14 0.25 -4.78 118.33 115.31 3ies n VAL 362 Ca 0.03 -0.70 0.00 0.00 -2.96 0.00 0.00 64.34 60.71 3ies n VAL 362 Cb 0.54 1.06 0.00 0.00 -1.06 0.00 0.00 33.84 34.38 3ies n VAL 362 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3ies n GLY 363 N 1.21 -0.97 3.43 7.55 0.00 -1.25 -3.49 105.19 111.68 3ies n GLY 363 Ca 0.15 -2.00 -0.23 0.00 0.00 0.00 0.00 46.02 43.95 3ies n GLY 363 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ies s LYS 364 N 0.00 1.57 0.19 1.61 1.02 -0.65 -0.26 119.74 123.23 3ies s LYS 364 Ca 0.00 -1.69 -0.33 0.00 0.02 0.00 0.00 55.97 53.98 3ies s LYS 364 Cb 0.00 -1.61 -0.13 0.00 -0.52 0.00 0.00 37.83 35.56 3ies s LYS 364 CO 0.00 0.30 1.59 0.28 -0.92 0.00 0.00 175.35 176.60 3ies n VAL 365 N -0.43 0.23 -1.74 3.17 0.31 -1.26 -1.37 118.33 117.24 3ies n VAL 365 Ca -0.07 -0.06 -0.31 0.00 -0.01 0.00 0.00 64.34 63.89 3ies n VAL 365 Cb 0.59 -1.66 0.03 0.00 -0.91 0.00 0.00 33.84 31.89 3ies n VAL 365 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3ies s VAL 366 N 0.75 4.29 0.40 2.52 -7.23 -0.68 -4.15 120.40 116.30 3ies s VAL 366 Ca 0.75 0.78 -0.24 0.00 -1.81 0.00 0.00 61.98 61.46 3ies s VAL 366 Cb -0.62 -3.58 -0.12 0.00 0.56 0.00 0.00 36.38 32.62 3ies s VAL 366 CO 0.39 -0.94 0.84 -2.65 -0.31 0.00 0.00 175.10 172.43 3ies n PRO 367 N -2.86 1.03 -0.23 4.82 -0.02 -1.26 -1.92 135.00 134.56 3ies n PRO 367 Ca 0.07 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3ies n PRO 367 Cb 0.54 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 3ies n PRO 367 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3ies n PHE 368 N -0.55 0.00 -3.63 6.00 3.72 -1.26 -4.95 117.46 116.79 3ies n PHE 368 Ca 0.11 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.30 3ies n PHE 368 Cb 0.38 -0.08 -0.03 0.00 -0.94 0.00 0.00 39.48 38.81 3ies n PHE 368 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3ies s PHE 369 N -3.08 2.84 0.05 1.38 0.40 -0.81 -4.34 117.98 114.43 3ies s PHE 369 Ca 0.00 -0.37 0.02 0.00 -0.60 0.00 0.00 56.93 55.98 3ies s PHE 369 Cb 0.00 -1.99 -0.03 0.00 0.51 0.00 0.00 43.02 41.51 3ies s PHE 369 CO 0.00 0.01 -0.07 -1.83 0.70 0.00 0.00 175.22 174.03 3ies s GLU 370 N -4.09 0.56 0.02 0.44 -1.05 -0.21 -1.89 118.70 112.48 3ies s GLU 370 Ca 0.45 -0.86 0.01 0.00 -0.15 0.00 0.00 54.97 54.41 3ies s GLU 370 Cb -0.05 -0.21 -0.02 0.00 -0.44 0.00 0.00 34.13 33.41 3ies s GLU 370 CO 0.28 0.02 -0.03 0.00 0.95 0.00 0.00 175.26 176.47 3ies s ALA 371 N -1.88 0.20 0.13 -0.84 0.00 0.57 -1.32 121.76 118.60 3ies s ALA 371 Ca -0.06 -0.48 -0.06 0.00 0.00 0.00 0.00 51.96 51.36 3ies s ALA 371 Cb -0.07 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 3ies s ALA 371 CO -0.01 -0.08 0.16 -1.59 0.00 0.00 0.00 175.76 174.23 3ies s LYS 372 N -1.10 0.96 -0.01 0.00 -2.85 -0.52 -0.95 119.74 115.27 3ies s LYS 372 Ca -0.10 -1.22 0.07 0.00 -1.00 0.00 0.00 55.97 53.72 3ies s LYS 372 Cb -0.07 0.31 -0.02 0.00 -2.06 0.00 0.00 37.83 35.98 3ies s LYS 372 CO -0.00 -0.31 -0.24 0.14 0.10 0.00 0.00 175.35 175.04 3ies s VAL 373 N -3.96 2.28 0.04 1.79 -7.23 -1.26 -1.09 120.40 110.96 3ies s VAL 373 Ca 0.16 -1.10 0.08 0.00 -1.81 0.00 0.00 61.98 59.31 3ies s VAL 373 Cb 0.05 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 35.13 3ies s VAL 373 CO -0.03 0.53 -0.24 0.68 -0.31 0.00 0.00 175.10 175.73 3ies s VAL 374 N -0.69 1.95 0.22 1.32 -7.23 -0.32 -0.84 120.40 114.82 3ies s VAL 374 Ca 0.11 -1.27 -0.32 0.00 -1.81 0.00 0.00 61.98 58.68 3ies s VAL 374 Cb -0.10 -1.67 -0.13 0.00 0.56 0.00 0.00 36.38 35.04 3ies s VAL 374 CO 0.00 0.34 1.59 -0.67 -0.31 0.00 0.00 175.10 176.06 3ies n ASP 375 N 1.91 3.44 0.00 4.85 -0.08 0.11 -0.75 116.55 126.03 3ies n ASP 375 Ca -0.17 1.10 0.05 0.00 -1.51 0.00 0.00 54.79 54.26 3ies n ASP 375 Cb 0.52 -1.50 0.26 0.00 2.34 0.00 0.00 41.12 42.74 3ies n ASP 375 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3ies n LEU 376 N 3.09 0.00 0.04 -2.67 4.77 -1.26 -1.87 117.00 119.10 3ies n LEU 376 Ca 0.14 0.17 -0.01 0.00 -0.03 0.00 0.00 56.01 56.28 3ies n LEU 376 Cb 0.33 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3ies n LEU 376 CO 0.63 -0.12 -0.07 0.47 -1.33 0.00 0.00 177.39 176.97 3ies n ASP 377 N -1.17 1.19 -0.14 -1.43 8.00 -1.26 -4.82 116.55 116.93 3ies n ASP 377 Ca 0.06 0.16 0.14 0.00 0.71 0.00 0.00 54.79 55.85 3ies n ASP 377 Cb 0.06 -0.38 0.50 0.00 -0.02 0.00 0.00 41.12 41.28 3ies n ASP 377 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3ies n THR 378 N -3.59 0.00 -0.69 -3.53 -2.24 -1.24 -4.85 114.28 98.13 3ies n THR 378 Ca -0.01 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3ies n THR 378 Cb 0.06 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 3ies n THR 378 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ies n GLY 379 N 1.34 0.18 3.83 3.38 0.00 -0.78 -4.90 105.19 108.23 3ies n GLY 379 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3ies n GLY 379 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ies s LYS 380 N -0.98 3.38 0.16 1.61 1.02 -1.26 -4.57 119.74 119.10 3ies s LYS 380 Ca 0.00 1.01 -0.30 0.00 0.02 0.00 0.00 55.97 56.70 3ies s LYS 380 Cb 0.00 -2.05 -0.07 0.00 -0.52 0.00 0.00 37.83 35.19 3ies s LYS 380 CO 0.00 -0.75 1.05 0.99 -0.92 0.00 0.00 175.35 175.72 3ies s THR 381 N -2.78 4.06 0.28 2.17 2.01 -1.26 0.10 115.64 120.22 3ies s THR 381 Ca 0.60 1.77 0.06 0.00 0.31 0.00 0.00 61.69 64.43 3ies s THR 381 Cb -0.13 -4.13 -0.02 0.00 0.01 0.00 0.00 72.50 68.22 3ies s THR 381 CO 0.44 0.30 0.37 -0.76 -0.69 0.00 0.00 174.62 174.28 3ies s LEU 382 N -0.31 4.07 0.00 4.42 1.43 -0.02 -4.88 118.68 123.39 3ies s LEU 382 Ca 0.48 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 3ies s LEU 382 Cb -0.27 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.25 3ies s LEU 382 CO 0.33 -0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.31 3ies n GLY 383 N -1.45 0.92 3.77 -3.19 0.00 -1.26 -4.73 105.19 99.24 3ies n GLY 383 Ca -0.05 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 3ies n GLY 383 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ies s VAL 384 N 0.58 2.39 -1.22 1.61 0.11 -1.26 -2.58 120.40 120.03 3ies s VAL 384 Ca 0.00 0.39 0.00 0.00 -2.93 0.00 0.00 61.98 59.44 3ies s VAL 384 Cb 0.00 -3.25 0.00 0.00 -1.53 0.00 0.00 36.38 31.60 3ies s VAL 384 CO 0.00 0.09 0.00 0.59 -3.33 0.00 0.00 175.10 172.45 3ies n ASN 385 N 0.63 -4.55 -4.57 3.54 3.02 0.59 -4.98 115.26 108.93 3ies n ASN 385 Ca 0.00 0.28 -0.34 0.00 -0.03 0.00 0.00 54.58 54.50 3ies n ASN 385 Cb 0.40 -3.06 -0.11 0.00 -0.61 0.00 0.00 39.78 36.40 3ies n ASN 385 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3ies s GLN 386 N -2.90 3.07 -0.04 3.52 -0.21 -1.06 -4.97 119.66 117.06 3ies s GLN 386 Ca 0.00 -0.51 -0.21 0.00 0.02 0.00 0.00 55.36 54.66 3ies s GLN 386 Cb 0.00 -2.72 -0.05 0.00 1.00 0.00 0.00 33.01 31.24 3ies s GLN 386 CO 0.00 0.54 0.59 1.03 -2.12 0.00 0.00 175.29 175.34 3ies s ARG 387 N -0.47 4.34 0.00 2.91 0.52 -1.26 -4.43 118.95 120.57 3ies s ARG 387 Ca 0.07 0.71 0.00 0.00 -0.52 0.00 0.00 55.73 55.99 3ies s ARG 387 Cb -0.12 -3.38 0.00 0.00 0.52 0.00 0.00 34.95 31.97 3ies s ARG 387 CO 0.02 0.28 0.00 0.41 0.02 0.00 0.00 175.30 176.03 3ies n GLY 388 N 2.71 1.56 3.72 -3.53 0.00 -0.94 -4.79 105.19 103.90 3ies n GLY 388 Ca -0.06 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 3ies n GLY 388 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ies s GLU 389 N -1.97 4.59 0.04 1.61 2.12 0.07 -0.95 118.70 124.20 3ies s GLU 389 Ca 0.00 1.40 -0.30 0.00 0.36 0.00 0.00 54.97 56.43 3ies s GLU 389 Cb 0.00 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 3ies s GLU 389 CO 0.00 0.02 1.08 -1.17 -0.54 0.00 0.00 175.26 174.66 3ies s LEU 390 N 0.74 4.38 0.00 2.70 2.96 0.13 -1.17 118.68 128.43 3ies s LEU 390 Ca 0.50 1.84 0.04 0.00 -0.22 0.00 0.00 54.13 56.29 3ies s LEU 390 Cb -0.21 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.89 3ies s LEU 390 CO 0.28 -0.35 -0.13 0.00 -1.32 0.00 0.00 176.35 174.83 3ies s VAL 392 N -0.46 0.36 -0.12 0.00 -7.23 -0.61 -1.44 120.40 110.91 3ies s VAL 392 Ca 0.04 -1.37 -0.07 0.00 -1.81 0.00 0.00 61.98 58.77 3ies s VAL 392 Cb -0.06 -0.93 0.04 0.00 0.56 0.00 0.00 36.38 36.00 3ies s VAL 392 CO 0.00 -0.66 0.29 -0.60 -0.31 0.00 0.00 175.10 173.81 3ies s ARG 393 N -2.54 0.27 0.00 4.82 3.52 -0.44 -0.49 118.95 124.09 3ies s ARG 393 Ca -0.04 0.55 0.00 0.00 -0.13 0.00 0.00 55.73 56.11 3ies s ARG 393 Cb -0.03 -0.04 0.00 0.00 -1.56 0.00 0.00 34.95 33.32 3ies s ARG 393 CO -0.04 -0.13 0.00 0.41 -0.81 0.00 0.00 175.30 174.73 3ies n GLY 394 N 3.95 0.75 0.10 8.12 0.00 -1.26 -1.04 105.19 115.80 3ies n GLY 394 Ca -0.22 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.80 3ies n GLY 394 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ies n PRO 395 N -0.49 1.08 0.00 1.61 -0.04 -1.26 -2.63 135.00 133.28 3ies n PRO 395 Ca 0.00 -0.12 0.08 0.00 -0.04 0.00 0.00 63.50 63.43 3ies n PRO 395 Cb 0.00 -1.07 0.04 0.00 -0.04 0.00 0.00 33.50 32.43 3ies n PRO 395 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3ies n MET 396 N -0.37 1.53 -1.92 0.54 2.81 -1.26 -4.13 117.12 114.31 3ies n MET 396 Ca 0.01 -1.18 -0.41 0.00 -1.81 0.00 0.00 57.70 54.31 3ies n MET 396 Cb 0.05 -1.31 -0.01 0.00 -0.71 0.00 0.00 33.22 31.24 3ies n MET 396 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3ies s ILE 397 N -1.67 2.33 0.78 2.02 -1.09 -1.08 -3.39 121.20 119.11 3ies s ILE 397 Ca 0.17 0.32 -0.14 0.00 -2.23 0.00 0.00 60.65 58.77 3ies s ILE 397 Cb 0.14 -3.20 0.05 0.00 -1.58 0.00 0.00 42.46 37.87 3ies s ILE 397 CO 0.31 0.07 1.08 1.15 -1.23 0.00 0.00 174.94 176.32 3ies n MET 398 N 0.84 0.29 0.18 2.79 0.00 -0.04 -4.91 117.12 116.27 3ies n MET 398 Ca 0.02 0.17 0.04 0.00 0.00 0.00 0.00 57.70 57.93 3ies n MET 398 Cb 0.40 -2.33 0.30 0.00 0.00 0.00 0.00 33.22 31.59 3ies n MET 398 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 3ies h SER 399 N -0.68 0.00 -0.33 3.17 4.64 -1.68 -3.49 113.55 115.18 3ies h SER 399 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3ies h SER 399 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3ies h SER 399 CO 0.46 0.42 0.00 0.61 -0.87 0.00 0.00 176.83 177.45 3ies n GLY 400 N 0.22 2.51 3.76 -0.77 0.00 -1.25 -5.04 105.19 104.61 3ies n GLY 400 Ca -0.00 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.53 3ies n GLY 400 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ies s TYR 401 N -2.00 3.76 -0.02 1.61 2.02 -1.26 -1.61 117.35 119.85 3ies s TYR 401 Ca 0.00 1.80 -0.30 0.00 -0.37 0.00 0.00 57.07 58.20 3ies s TYR 401 Cb 0.00 -3.14 -0.06 0.00 -0.40 0.00 0.00 41.96 38.35 3ies s TYR 401 CO 0.00 -0.10 1.65 0.08 -1.57 0.00 0.00 175.55 175.61 3ies s VAL 402 N -1.18 3.47 -1.49 0.71 1.01 0.97 -2.62 120.40 121.27 3ies s VAL 402 Ca 0.43 0.66 -0.05 0.00 0.00 0.00 0.00 61.98 63.03 3ies s VAL 402 Cb -0.29 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.68 3ies s VAL 402 CO 0.37 -0.04 0.48 -3.20 0.00 0.00 0.00 175.10 172.70 3ies n ASN 403 N 6.75 -5.43 -2.97 3.32 5.15 -1.26 -4.75 115.26 116.07 3ies n ASN 403 Ca 0.17 -0.25 -0.15 0.00 -0.60 0.00 0.00 54.58 53.75 3ies n ASN 403 Cb 0.42 -4.43 0.01 0.00 -0.53 0.00 0.00 39.78 35.26 3ies n ASN 403 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3ies n ASN 404 N -2.37 -0.96 0.28 1.20 2.85 -1.08 -4.99 115.26 110.19 3ies n ASN 404 Ca -0.11 -3.20 0.17 0.00 -0.11 0.00 0.00 54.58 51.33 3ies n ASN 404 Cb 0.61 0.59 0.77 0.00 1.24 0.00 0.00 39.78 42.99 3ies n ASN 404 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3ies h PRO 405 N 3.42 0.00 0.03 1.20 0.13 -1.91 -2.35 132.00 132.52 3ies h PRO 405 Ca -0.01 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3ies h PRO 405 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3ies h PRO 405 CO 0.35 0.04 -0.01 0.93 -0.23 0.00 0.00 178.00 179.08 3ies h GLU 406 N 0.00 -0.03 -0.79 0.86 3.07 -1.96 0.16 114.58 115.89 3ies h GLU 406 Ca -0.00 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 58.93 3ies h GLU 406 Cb 0.42 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.29 3ies h GLU 406 CO 0.01 0.25 0.52 0.00 -1.40 0.00 0.00 179.01 178.38 3ies h ALA 407 N 0.65 1.65 -0.37 3.43 0.00 -1.94 0.02 119.26 122.70 3ies h ALA 407 Ca -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3ies h ALA 407 Cb 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3ies h ALA 407 CO 0.01 0.23 0.05 1.15 0.00 0.00 0.00 179.25 180.68 3ies h THR 408 N 0.84 1.24 -0.03 0.00 2.02 -0.90 -2.70 112.91 113.38 3ies h THR 408 Ca 0.34 -0.86 -0.09 0.00 0.77 0.00 0.00 66.41 66.57 3ies h THR 408 Cb 0.26 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3ies h THR 408 CO -0.12 0.29 -0.41 0.78 0.37 0.00 0.00 175.52 176.43 3ies h ASN 409 N 0.45 0.06 0.47 4.18 2.35 -0.46 0.44 115.58 123.07 3ies h ASN 409 Ca 0.11 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.77 3ies h ASN 409 Cb 0.37 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 3ies h ASN 409 CO 0.01 0.47 -0.30 0.00 -1.65 0.00 0.00 177.43 175.95 3ies h ALA 410 N 1.54 1.28 0.05 -0.83 0.00 -0.83 -3.31 119.26 117.17 3ies h ALA 410 Ca 0.00 -0.28 -0.37 0.00 0.00 0.00 0.00 54.91 54.27 3ies h ALA 410 Cb 0.74 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 3ies h ALA 410 CO 0.06 0.38 -2.21 -0.11 0.00 0.00 0.00 179.25 177.37 3ies n LEU 411 N -3.87 2.24 -4.20 0.00 7.94 -0.79 -4.89 117.00 113.43 3ies n LEU 411 Ca -0.02 0.07 -0.33 0.00 -1.11 0.00 0.00 56.01 54.62 3ies n LEU 411 Cb 0.38 -0.68 -0.16 0.00 0.53 0.00 0.00 43.42 43.49 3ies n LEU 411 CO 0.36 0.79 -0.53 -0.63 -1.11 0.00 0.00 177.39 176.27 3ies s ILE 412 N -2.54 2.20 0.77 1.96 1.01 0.08 -1.31 121.20 123.37 3ies s ILE 412 Ca -0.24 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.44 3ies s ILE 412 Cb 0.08 -1.88 0.14 0.00 0.01 0.00 0.00 42.46 40.81 3ies s ILE 412 CO 0.72 0.54 1.06 1.51 0.00 0.00 0.00 174.94 178.77 3ies s ASP 413 N 0.76 4.08 0.58 3.58 1.47 -0.55 -4.46 116.67 122.13 3ies s ASP 413 Ca -0.08 -0.26 0.28 0.00 1.18 0.00 0.00 52.55 53.67 3ies s ASP 413 Cb -0.16 -0.04 1.68 0.00 -0.34 0.00 0.00 42.92 44.07 3ies s ASP 413 CO -0.00 -2.05 2.16 0.07 0.68 0.00 0.00 175.17 176.02 3ies h LYS 414 N -0.76 0.00 -0.44 2.11 5.09 -1.92 -1.67 116.57 118.98 3ies h LYS 414 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.36 3ies h LYS 414 Cb 1.26 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.59 3ies h LYS 414 CO 0.39 0.00 0.00 -0.25 -2.09 0.00 0.00 179.45 177.50 3ies n ASP 415 N -3.89 2.58 0.00 7.07 8.00 -1.26 -4.91 116.55 124.14 3ies n ASP 415 Ca -0.00 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.54 3ies n ASP 415 Cb 0.23 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 3ies n ASP 415 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ies n GLY 416 N 1.28 0.71 3.69 0.44 0.00 -0.63 -5.04 105.19 105.63 3ies n GLY 416 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3ies n GLY 416 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ies s TRP 417 N -2.58 3.49 -0.16 1.61 0.52 -1.26 -4.58 118.94 115.99 3ies s TRP 417 Ca 0.00 1.39 -0.21 0.00 0.02 0.00 0.00 56.10 57.29 3ies s TRP 417 Cb 0.00 -3.03 -0.03 0.00 -1.15 0.00 0.00 33.47 29.26 3ies s TRP 417 CO 0.00 -0.16 0.65 -1.17 0.02 0.00 0.00 176.95 176.29 3ies s LEU 418 N 1.78 4.20 -0.53 2.99 0.20 0.36 -1.49 118.68 126.19 3ies s LEU 418 Ca 0.42 0.93 -0.18 0.00 0.69 0.00 0.00 54.13 55.99 3ies s LEU 418 Cb -0.18 -2.94 0.08 0.00 -0.43 0.00 0.00 46.19 42.72 3ies s LEU 418 CO 0.16 -0.22 0.61 -1.00 -0.29 0.00 0.00 176.35 175.61 3ies s HIS 419 N 1.56 3.07 0.40 5.38 3.76 -0.42 -1.57 115.29 127.48 3ies s HIS 419 Ca 0.31 -0.75 0.15 0.00 -0.15 0.00 0.00 55.06 54.62 3ies s HIS 419 Cb -0.16 -3.62 0.90 0.00 1.11 0.00 0.00 32.58 30.81 3ies s HIS 419 CO 0.12 -1.07 1.92 0.66 -0.85 0.00 0.00 174.74 175.52 3ies h SER 420 N 9.00 0.00 0.00 1.40 4.64 -1.60 -3.46 113.55 123.53 3ies h SER 420 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3ies h SER 420 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3ies h SER 420 CO 0.99 0.27 0.00 0.61 -0.87 0.00 0.00 176.83 177.83 3ies n GLY 421 N -0.71 1.09 3.89 -0.77 0.00 -1.26 -5.04 105.19 102.39 3ies n GLY 421 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3ies n GLY 421 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ies s ASP 422 N -3.07 6.51 -0.14 1.61 1.01 -1.26 -1.48 116.67 119.84 3ies s ASP 422 Ca 0.00 0.58 -0.15 0.00 0.71 0.00 0.00 52.55 53.68 3ies s ASP 422 Cb 0.00 -2.09 -0.04 0.00 1.01 0.00 0.00 42.92 41.79 3ies s ASP 422 CO 0.00 0.21 0.36 -0.63 0.21 0.00 0.00 175.17 175.32 3ies s ILE 423 N -1.37 5.26 0.21 0.77 1.01 0.13 -0.69 121.20 126.52 3ies s ILE 423 Ca 0.30 0.70 -0.05 0.00 0.00 0.00 0.00 60.65 61.60 3ies s ILE 423 Cb -0.13 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 3ies s ILE 423 CO 0.18 0.37 0.25 0.00 0.00 0.00 0.00 174.94 175.74 3ies s ALA 424 N 0.47 0.60 0.10 9.38 0.00 -0.13 -0.36 121.76 131.82 3ies s ALA 424 Ca 0.20 -1.35 -0.07 0.00 0.00 0.00 0.00 51.96 50.74 3ies s ALA 424 Cb -0.14 1.21 -0.01 0.00 0.00 0.00 0.00 23.12 24.18 3ies s ALA 424 CO 0.06 -0.67 0.17 1.52 0.00 0.00 0.00 175.76 176.84 3ies s TYR 425 N -4.09 0.30 0.17 0.00 -0.85 -0.63 -2.22 117.35 110.03 3ies s TYR 425 Ca 0.31 -0.73 0.11 0.00 -0.52 0.00 0.00 57.07 56.23 3ies s TYR 425 Cb 0.04 -0.13 -0.04 0.00 0.38 0.00 0.00 41.96 42.21 3ies s TYR 425 CO 0.09 -0.56 -0.23 1.67 -1.52 0.00 0.00 175.55 175.01 3ies s TRP 426 N -3.90 2.36 0.13 -3.49 1.48 -1.26 -0.65 118.94 113.60 3ies s TRP 426 Ca 0.09 -0.34 0.01 0.00 -1.06 0.00 0.00 56.10 54.80 3ies s TRP 426 Cb 0.05 -1.20 0.01 0.00 -1.16 0.00 0.00 33.47 31.17 3ies s TRP 426 CO -0.08 0.45 0.11 -0.40 -4.06 0.00 0.00 176.95 172.97 3ies n ASP 427 N 0.44 1.28 0.00 -2.66 5.68 -0.13 -0.30 116.55 120.86 3ies n ASP 427 Ca -0.14 -1.43 0.13 0.00 -0.50 0.00 0.00 54.79 52.84 3ies n ASP 427 Cb 0.55 -0.02 0.57 0.00 -1.14 0.00 0.00 41.12 41.08 3ies n ASP 427 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3ies n GLU 428 N -0.87 0.07 -0.11 0.11 0.00 -1.26 -0.54 120.64 118.05 3ies n GLU 428 Ca 0.00 0.05 0.12 0.00 0.00 0.00 0.00 57.16 57.33 3ies n GLU 428 Cb 0.15 -1.50 0.25 0.00 0.00 0.00 0.00 31.44 30.34 3ies n GLU 428 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3ies n ASP 429 N -1.46 2.79 -0.79 -1.84 8.00 -1.26 -4.95 116.55 117.04 3ies n ASP 429 Ca 0.07 -1.89 -0.10 0.00 0.71 0.00 0.00 54.79 53.58 3ies n ASP 429 Cb 0.28 -0.14 -0.04 0.00 -0.02 0.00 0.00 41.12 41.20 3ies n ASP 429 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ies n GLU 430 N 1.09 -0.71 -2.44 -1.24 1.02 0.30 -5.02 120.64 113.63 3ies n GLU 430 Ca 0.17 0.86 -0.41 0.00 -0.02 0.00 0.00 57.16 57.76 3ies n GLU 430 Cb 0.52 -4.79 -0.04 0.00 -0.02 0.00 0.00 31.44 27.11 3ies n GLU 430 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3ies s HIS 431 N -2.38 3.52 -0.02 -0.32 3.76 -1.26 -4.54 115.29 114.04 3ies s HIS 431 Ca 0.00 1.59 -0.03 0.00 -0.15 0.00 0.00 55.06 56.47 3ies s HIS 431 Cb 0.00 -3.34 -0.04 0.00 1.11 0.00 0.00 32.58 30.31 3ies s HIS 431 CO 0.00 -0.79 0.18 -0.06 -0.85 0.00 0.00 174.74 173.21 3ies s PHE 432 N -0.65 3.55 -0.10 1.40 0.40 0.64 -0.96 117.98 122.27 3ies s PHE 432 Ca 0.48 0.38 0.00 0.00 -0.60 0.00 0.00 56.93 57.19 3ies s PHE 432 Cb -0.32 -1.84 0.02 0.00 0.51 0.00 0.00 43.02 41.39 3ies s PHE 432 CO 0.39 0.66 -0.08 -0.06 0.70 0.00 0.00 175.22 176.82 3ies s PHE 433 N -1.28 1.41 -0.07 0.36 0.40 0.18 -0.58 117.98 118.40 3ies s PHE 433 Ca 0.26 -0.64 -0.19 0.00 -0.60 0.00 0.00 56.93 55.75 3ies s PHE 433 Cb -0.13 -1.15 -0.05 0.00 0.51 0.00 0.00 43.02 42.21 3ies s PHE 433 CO 0.17 -0.43 0.54 0.42 0.70 0.00 0.00 175.22 176.62 3ies s ILE 434 N 1.41 5.08 0.00 0.64 -1.09 -1.26 -1.60 121.20 124.37 3ies s ILE 434 Ca -0.01 1.11 0.00 0.00 -2.23 0.00 0.00 60.65 59.52 3ies s ILE 434 Cb -0.13 -3.88 0.00 0.00 -1.58 0.00 0.00 42.46 36.87 3ies s ILE 434 CO -0.05 0.35 0.00 0.52 -1.23 0.00 0.00 174.94 174.54 3ies n VAL 435 N 3.32 0.00 -3.85 2.92 0.31 0.51 -4.99 118.33 116.54 3ies n VAL 435 Ca -0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.26 3ies n VAL 435 Cb 0.51 -0.01 0.01 0.00 -0.91 0.00 0.00 33.84 33.44 3ies n VAL 435 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3ies s ASP 436 N -1.54 -0.03 0.05 4.52 2.15 -1.06 -4.99 116.67 115.78 3ies s ASP 436 Ca 0.00 -0.44 0.03 0.00 0.43 0.00 0.00 52.55 52.57 3ies s ASP 436 Cb 0.00 0.35 -0.03 0.00 -0.30 0.00 0.00 42.92 42.95 3ies s ASP 436 CO 0.00 -0.69 -0.09 -0.60 -0.17 0.00 0.00 175.17 173.62 3ies s ARG 437 N -2.31 0.62 0.00 4.34 3.52 -1.26 0.21 118.95 124.07 3ies s ARG 437 Ca 0.21 -0.87 0.08 0.00 -0.13 0.00 0.00 55.73 55.03 3ies s ARG 437 Cb -0.01 -0.37 0.46 0.00 -1.56 0.00 0.00 34.95 33.47 3ies s ARG 437 CO 0.02 0.06 0.92 1.28 -0.81 0.00 0.00 175.30 176.77