#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pa3 h LEU 6 N 0.00 0.10 0.17 2.46 3.38 -2.01 -1.75 115.31 117.65 2pa3 h LEU 6 Ca 0.00 -0.05 -0.30 0.00 0.09 0.00 0.00 57.88 57.62 2pa3 h LEU 6 Cb 0.00 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 40.74 2pa3 h LEU 6 CO 0.00 0.61 -1.32 -0.08 0.09 0.00 0.00 178.44 177.73 2pa3 h GLU 7 N 0.07 0.39 -0.15 1.13 4.57 -2.01 -3.39 114.58 115.19 2pa3 h GLU 7 Ca -0.00 -0.65 -0.22 0.00 -1.18 0.00 0.00 59.36 57.30 2pa3 h GLU 7 Cb 0.96 0.24 0.01 0.00 -0.16 0.00 0.00 28.75 29.80 2pa3 h GLU 7 CO 0.07 1.31 -0.79 0.87 -1.18 0.00 0.00 179.01 179.30 2pa3 h LYS 8 N 0.11 0.79 -0.77 1.92 1.57 -1.87 -2.61 116.57 115.71 2pa3 h LYS 8 Ca -0.18 -0.65 0.22 0.00 -1.87 0.00 0.00 60.65 58.17 2pa3 h LYS 8 Cb 2.03 0.14 -0.03 0.00 0.08 0.00 0.00 32.23 34.45 2pa3 h LYS 8 CO 0.23 1.25 1.07 -0.44 -0.57 0.00 0.00 179.45 181.00 2pa3 h ASP 9 N 0.54 0.00 -0.45 0.86 3.45 -1.51 0.15 116.42 119.46 2pa3 h ASP 9 Ca -0.05 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.41 2pa3 h ASP 9 Cb 1.42 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.19 2pa3 h ASP 9 CO 0.16 0.00 0.00 0.29 -1.57 0.00 0.00 179.24 178.12 2pa3 n LYS 10 N -3.17 2.45 -3.58 3.56 4.76 -0.98 -4.54 118.16 116.66 2pa3 n LYS 10 Ca 0.17 -2.21 -0.41 0.00 -2.87 0.00 0.00 58.31 52.99 2pa3 n LYS 10 Cb 1.31 -1.51 -0.11 0.00 -1.84 0.00 0.00 35.03 32.89 2pa3 n LYS 10 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2pa3 s ILE 11 N -1.41 4.61 -0.02 -0.18 1.01 0.04 -5.01 121.20 120.25 2pa3 s ILE 11 Ca 0.40 -0.93 -0.22 0.00 0.00 0.00 0.00 60.65 59.90 2pa3 s ILE 11 Cb 0.22 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 39.03 2pa3 s ILE 11 CO 0.31 -0.30 0.67 -0.75 0.00 0.00 0.00 174.94 174.87 2pa3 s LYS 12 N 1.55 4.40 -0.20 2.79 2.20 -1.26 -4.45 119.74 124.77 2pa3 s LYS 12 Ca 0.02 0.85 -0.01 0.00 -0.36 0.00 0.00 55.97 56.47 2pa3 s LYS 12 Cb -0.20 -3.38 0.01 0.00 -1.51 0.00 0.00 37.83 32.74 2pa3 s LYS 12 CO 0.06 0.24 -0.12 -0.06 -0.36 0.00 0.00 175.35 175.12 2pa3 s PHE 13 N 0.18 2.87 -0.36 4.03 0.40 0.08 -1.46 117.98 123.72 2pa3 s PHE 13 Ca 0.35 -1.30 -0.12 0.00 -0.60 0.00 0.00 56.93 55.26 2pa3 s PHE 13 Cb -0.18 -2.01 0.01 0.00 0.51 0.00 0.00 43.02 41.35 2pa3 s PHE 13 CO 0.19 -0.68 0.22 -1.17 0.70 0.00 0.00 175.22 174.47 2pa3 s LEU 14 N 1.38 4.63 -0.22 -0.37 2.96 0.37 -0.85 118.68 126.58 2pa3 s LEU 14 Ca 0.05 -0.79 -0.05 0.00 -0.22 0.00 0.00 54.13 53.13 2pa3 s LEU 14 Cb -0.14 -2.06 -0.01 0.00 0.50 0.00 0.00 46.19 44.48 2pa3 s LEU 14 CO -0.08 -0.33 -0.02 -0.76 -1.32 0.00 0.00 176.35 173.84 2pa3 s LEU 15 N 1.62 3.03 0.39 -0.68 1.43 -0.56 -0.32 118.68 123.59 2pa3 s LEU 15 Ca 0.04 -0.34 0.06 0.00 -1.03 0.00 0.00 54.13 52.86 2pa3 s LEU 15 Cb -0.18 -1.78 -0.08 0.00 0.03 0.00 0.00 46.19 44.18 2pa3 s LEU 15 CO 0.08 -0.02 0.02 0.68 0.23 0.00 0.00 176.35 177.34 2pa3 s VAL 16 N 1.47 1.80 -1.79 -1.59 -7.23 0.01 -1.12 120.40 111.95 2pa3 s VAL 16 Ca 0.05 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 2pa3 s VAL 16 Cb -0.14 -2.94 0.00 0.00 0.56 0.00 0.00 36.38 33.85 2pa3 s VAL 16 CO -0.01 -0.00 0.00 -0.62 -0.31 0.00 0.00 175.10 174.15 2pa3 n GLU 17 N -0.90 -1.18 -2.88 4.82 1.02 -0.95 -3.98 120.64 116.59 2pa3 n GLU 17 Ca -0.04 1.09 -0.03 0.00 -0.02 0.00 0.00 57.16 58.15 2pa3 n GLU 17 Cb 0.67 -5.31 0.01 0.00 -0.02 0.00 0.00 31.44 26.79 2pa3 n GLU 17 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pa3 n GLY 18 N -0.90 -1.05 3.76 0.62 0.00 0.25 -4.81 105.19 103.05 2pa3 n GLY 18 Ca -0.17 0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 2pa3 n GLY 18 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pa3 s VAL 19 N -3.08 2.97 0.47 1.61 -7.23 -1.26 -4.98 120.40 108.91 2pa3 s VAL 19 Ca 0.10 0.32 -0.23 0.00 -1.81 0.00 0.00 61.98 60.35 2pa3 s VAL 19 Cb -0.01 -2.90 -0.07 0.00 0.56 0.00 0.00 36.38 33.96 2pa3 s VAL 19 CO 0.64 -0.41 1.26 -2.28 -0.31 0.00 0.00 175.10 174.00 2pa3 s HIS 20 N -3.00 2.67 0.57 2.82 2.46 -1.26 -4.89 115.29 114.66 2pa3 s HIS 20 Ca 0.62 1.45 0.27 0.00 0.47 0.00 0.00 55.06 57.88 2pa3 s HIS 20 Cb -0.16 -3.59 1.53 0.00 -0.13 0.00 0.00 32.58 30.23 2pa3 s HIS 20 CO 0.56 -2.09 2.02 1.96 -2.47 0.00 0.00 174.74 174.72 2pa3 h GLN 21 N 2.02 0.00 -0.09 2.88 1.08 -1.94 -0.89 115.11 118.16 2pa3 h GLN 21 Ca -0.50 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 56.70 2pa3 h GLN 21 Cb 1.26 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.69 2pa3 h GLN 21 CO 0.60 0.00 0.05 0.87 -0.95 0.00 0.00 178.83 179.40 2pa3 h LYS 22 N 0.00 0.12 -0.75 1.46 1.57 -1.92 -0.08 116.57 116.97 2pa3 h LYS 22 Ca 0.16 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2pa3 h LYS 22 Cb 0.79 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.03 2pa3 h LYS 22 CO -0.00 0.08 0.50 0.00 -0.57 0.00 0.00 179.45 179.46 2pa3 h ALA 23 N 1.94 1.48 0.00 3.86 0.00 -1.31 -0.97 119.26 124.26 2pa3 h ALA 23 Ca 0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2pa3 h ALA 23 Cb -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2pa3 h ALA 23 CO -0.01 0.47 -0.23 -0.07 0.00 0.00 0.00 179.25 179.42 2pa3 h LEU 24 N 1.00 0.00 -0.11 0.00 4.07 -1.16 -2.43 115.31 116.68 2pa3 h LEU 24 Ca 0.28 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 58.18 2pa3 h LEU 24 Cb -0.08 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.65 2pa3 h LEU 24 CO -0.07 0.23 -0.16 -0.33 -1.08 0.00 0.00 178.44 177.03 2pa3 h GLU 25 N 0.00 0.30 -0.55 1.13 5.08 -0.49 -1.84 114.58 118.22 2pa3 h GLU 25 Ca -0.00 -0.18 0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2pa3 h GLU 25 Cb 1.17 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.38 2pa3 h GLU 25 CO 0.03 0.75 0.23 0.77 -1.00 0.00 0.00 179.01 179.79 2pa3 h SER 26 N -0.12 0.27 -0.62 1.42 0.02 -1.21 -0.15 113.55 113.16 2pa3 h SER 26 Ca 0.01 0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 2pa3 h SER 26 Cb 0.72 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.23 2pa3 h SER 26 CO 0.04 0.18 0.38 -0.07 -1.14 0.00 0.00 176.83 176.22 2pa3 h LEU 27 N 0.43 0.62 -0.19 5.07 4.07 -1.38 -0.91 115.31 123.03 2pa3 h LEU 27 Ca 0.26 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 58.01 2pa3 h LEU 27 Cb 0.26 -0.13 0.01 0.00 1.08 0.00 0.00 40.66 41.88 2pa3 h LEU 27 CO -0.24 0.43 -0.74 0.03 -1.08 0.00 0.00 178.44 176.84 2pa3 h ARG 28 N 0.75 0.80 -0.08 1.13 3.08 -0.85 -1.09 114.38 118.12 2pa3 h ARG 28 Ca 0.25 -0.63 -0.01 0.00 0.07 0.00 0.00 59.98 59.66 2pa3 h ARG 28 Cb 0.02 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 2pa3 h ARG 28 CO -0.10 1.24 0.01 0.00 -1.07 0.00 0.00 179.97 180.05 2pa3 h ALA 29 N 0.58 1.87 -0.02 0.04 0.00 -0.62 0.64 119.26 121.75 2pa3 h ALA 29 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2pa3 h ALA 29 Cb 1.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2pa3 h ALA 29 CO 0.15 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.51 2pa3 n ALA 30 N -2.52 2.62 -0.34 0.00 0.00 -0.38 -4.89 120.51 114.99 2pa3 n ALA 30 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2pa3 n ALA 30 Cb 0.12 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.25 2pa3 n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pa3 n GLY 31 N 0.91 0.77 3.53 0.00 0.00 0.22 -5.03 105.19 105.59 2pa3 n GLY 31 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2pa3 n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pa3 s TYR 32 N -2.74 3.13 -0.01 1.61 2.02 -0.43 -4.53 117.35 116.41 2pa3 s TYR 32 Ca 0.00 0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.72 2pa3 s TYR 32 Cb 0.00 -3.09 -0.00 0.00 -0.40 0.00 0.00 41.96 38.47 2pa3 s TYR 32 CO 0.00 -0.69 0.11 0.25 -1.57 0.00 0.00 175.55 173.65 2pa3 n THR 33 N 5.59 0.00 -2.60 -0.71 -2.24 -1.26 -3.23 114.28 109.83 2pa3 n THR 33 Ca -0.04 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.81 2pa3 n THR 33 Cb 0.48 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 2pa3 n THR 33 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2pa3 n ASN 34 N -0.79 4.95 -4.25 3.42 4.05 -1.26 -4.92 115.26 116.46 2pa3 n ASN 34 Ca 0.00 -2.92 -0.33 0.00 0.45 0.00 0.00 54.58 51.78 2pa3 n ASN 34 Cb 0.00 -1.73 -0.16 0.00 1.23 0.00 0.00 39.78 39.12 2pa3 n ASN 34 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2pa3 s ILE 35 N 4.01 2.48 -0.49 -1.44 1.01 -1.26 -0.74 121.20 124.77 2pa3 s ILE 35 Ca 0.53 -0.84 -0.15 0.00 0.00 0.00 0.00 60.65 60.19 2pa3 s ILE 35 Cb 0.04 -2.02 0.09 0.00 0.01 0.00 0.00 42.46 40.57 2pa3 s ILE 35 CO 0.07 0.53 0.42 -0.70 0.00 0.00 0.00 174.94 175.26 2pa3 s GLU 36 N 0.72 2.97 -0.13 2.79 2.12 -0.03 -4.96 118.70 122.19 2pa3 s GLU 36 Ca -0.08 -1.44 -0.08 0.00 0.36 0.00 0.00 54.97 53.73 2pa3 s GLU 36 Cb -0.16 -4.16 -0.04 0.00 0.26 0.00 0.00 34.13 30.03 2pa3 s GLU 36 CO 0.01 -1.10 0.16 0.12 -0.54 0.00 0.00 175.26 173.92 2pa3 s PHE 37 N 1.63 3.57 -0.07 5.30 2.19 -1.26 -1.49 117.98 127.85 2pa3 s PHE 37 Ca 0.04 0.53 0.00 0.00 0.33 0.00 0.00 56.93 57.83 2pa3 s PHE 37 Cb -0.26 -2.01 0.02 0.00 -1.31 0.00 0.00 43.02 39.46 2pa3 s PHE 37 CO 0.06 0.64 -0.05 -1.01 1.83 0.00 0.00 175.22 176.69 2pa3 s HIS 38 N -0.75 0.99 0.23 10.12 3.76 -0.28 -5.00 115.29 124.36 2pa3 s HIS 38 Ca 0.14 -0.36 0.27 0.00 -0.15 0.00 0.00 55.06 54.97 2pa3 s HIS 38 Cb -0.12 -0.88 1.19 0.00 1.11 0.00 0.00 32.58 33.88 2pa3 s HIS 38 CO 0.04 -0.31 1.94 -0.22 -0.85 0.00 0.00 174.74 175.34 2pa3 h LYS 39 N 7.65 0.00 -6.17 1.40 3.64 -1.91 0.84 116.57 122.03 2pa3 h LYS 39 Ca -0.30 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.57 2pa3 h LYS 39 Cb 1.15 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.92 2pa3 h LYS 39 CO 0.40 0.16 -0.48 0.20 -2.27 0.00 0.00 179.45 177.46 2pa3 s GLY 40 N -4.24 1.82 -0.22 5.01 0.00 -1.26 -2.40 107.32 106.03 2pa3 s GLY 40 Ca -0.01 -1.70 -0.29 0.00 0.00 0.00 0.00 44.72 42.73 2pa3 s GLY 40 CO 0.60 -1.63 1.43 0.00 0.00 0.00 0.00 173.10 173.50 2pa3 s ALA 41 N -2.34 3.43 0.37 3.20 0.00 -1.26 -2.57 121.76 122.60 2pa3 s ALA 41 Ca 0.40 0.39 -0.28 0.00 0.00 0.00 0.00 51.96 52.47 2pa3 s ALA 41 Cb -0.05 -3.76 -0.10 0.00 0.00 0.00 0.00 23.12 19.21 2pa3 s ALA 41 CO 0.25 -1.65 1.37 -0.51 0.00 0.00 0.00 175.76 175.22 2pa3 s LEU 42 N 4.41 4.32 0.60 0.00 1.02 -1.26 -5.02 118.68 122.74 2pa3 s LEU 42 Ca 0.63 2.81 -0.04 0.00 0.02 0.00 0.00 54.13 57.54 2pa3 s LEU 42 Cb -0.22 -3.74 0.02 0.00 0.02 0.00 0.00 46.19 42.27 2pa3 s LEU 42 CO 0.24 -0.77 0.88 1.51 0.02 0.00 0.00 176.35 178.23 2pa3 s ASP 43 N -0.45 5.37 0.25 2.29 -4.77 -1.26 -4.68 116.67 113.42 2pa3 s ASP 43 Ca 0.53 0.48 -0.08 0.00 -3.30 0.00 0.00 52.55 50.18 2pa3 s ASP 43 Cb -0.42 -1.40 0.43 0.00 -1.09 0.00 0.00 42.92 40.44 2pa3 s ASP 43 CO 0.55 -1.17 1.61 -0.78 0.70 0.00 0.00 175.17 176.08 2pa3 h ASP 44 N -0.18 -0.55 0.91 2.11 1.82 -1.98 0.57 116.42 119.13 2pa3 h ASP 44 Ca -0.45 0.23 -0.14 0.00 -0.39 0.00 0.00 57.03 56.28 2pa3 h ASP 44 Cb 1.28 0.43 -0.02 0.00 0.68 0.00 0.00 39.33 41.70 2pa3 h ASP 44 CO 0.59 -0.24 -0.67 1.05 -1.61 0.00 0.00 179.24 178.36 2pa3 h GLU 45 N 0.04 0.00 0.00 0.28 4.11 -1.99 -1.81 114.58 115.21 2pa3 h GLU 45 Ca 0.42 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.66 2pa3 h GLU 45 Cb 0.72 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 2pa3 h GLU 45 CO -0.77 0.67 -1.20 -0.56 0.07 0.00 0.00 179.01 177.22 2pa3 h GLN 46 N 0.00 0.00 0.46 1.06 3.07 -1.28 -2.78 115.11 115.64 2pa3 h GLN 46 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.71 2pa3 h GLN 46 Cb 1.30 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.86 2pa3 h GLN 46 CO 0.09 0.50 -0.25 1.25 0.09 0.00 0.00 178.83 180.50 2pa3 h LEU 47 N 0.00 -0.61 -2.22 0.06 5.85 0.01 -1.73 115.31 116.67 2pa3 h LEU 47 Ca -0.13 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.67 2pa3 h LEU 47 Cb 1.66 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.86 2pa3 h LEU 47 CO 0.07 -0.41 0.15 0.11 -0.34 0.00 0.00 178.44 178.02 2pa3 h LYS 48 N -0.66 0.00 0.13 1.25 1.57 -1.33 0.11 116.57 117.63 2pa3 h LYS 48 Ca -0.06 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.44 2pa3 h LYS 48 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2pa3 h LYS 48 CO 0.08 0.00 -1.33 1.49 -0.57 0.00 0.00 179.45 179.12 2pa3 h GLU 49 N 0.00 0.27 0.00 3.15 4.81 -1.38 -3.26 114.58 118.17 2pa3 h GLU 49 Ca 0.07 -0.46 -0.24 0.00 -0.13 0.00 0.00 59.36 58.60 2pa3 h GLU 49 Cb 0.37 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 2pa3 h GLU 49 CO -0.00 1.19 -1.28 0.77 -0.73 0.00 0.00 179.01 178.96 2pa3 h SER 50 N 0.07 0.00 1.38 1.04 0.02 -0.10 -3.26 113.55 112.70 2pa3 h SER 50 Ca -0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2pa3 h SER 50 Cb 1.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.53 2pa3 h SER 50 CO 0.19 0.99 -0.08 0.00 -1.14 0.00 0.00 176.83 176.79 2pa3 n ILE 51 N -3.22 0.54 -0.21 3.27 3.06 -0.27 -4.16 119.36 118.37 2pa3 n ILE 51 Ca -0.07 -0.27 -0.01 0.00 -2.50 0.00 0.00 62.75 59.89 2pa3 n ILE 51 Cb 0.98 -0.52 0.09 0.00 0.54 0.00 0.00 39.64 40.74 2pa3 n ILE 51 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 2pa3 h ARG 52 N 0.00 0.56 -0.50 9.51 2.43 -1.60 -1.00 114.38 123.78 2pa3 h ARG 52 Ca 0.00 -0.03 -0.26 0.00 -0.81 0.00 0.00 59.98 58.88 2pa3 h ARG 52 Cb 0.73 -0.13 -0.15 0.00 -0.42 0.00 0.00 29.97 30.00 2pa3 h ARG 52 CO 0.00 0.37 0.09 -0.40 -1.51 0.00 0.00 179.97 178.52 2pa3 n ASP 53 N -4.86 2.78 -4.70 -3.80 5.75 -1.26 -2.76 116.55 107.71 2pa3 n ASP 53 Ca 0.08 -3.74 -0.37 0.00 -0.01 0.00 0.00 54.79 50.75 2pa3 n ASP 53 Cb 0.20 -0.68 -0.07 0.00 -1.03 0.00 0.00 41.12 39.53 2pa3 n ASP 53 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2pa3 s ALA 54 N -3.26 3.56 0.09 2.12 0.00 -0.38 -4.67 121.76 119.22 2pa3 s ALA 54 Ca 0.48 -0.48 -0.11 0.00 0.00 0.00 0.00 51.96 51.85 2pa3 s ALA 54 Cb 0.42 -2.52 -0.21 0.00 0.00 0.00 0.00 23.12 20.81 2pa3 s ALA 54 CO 0.02 -0.11 1.20 0.45 0.00 0.00 0.00 175.76 177.32 2pa3 h HIS 55 N 7.04 0.88 -3.96 0.00 3.86 -1.41 -3.13 115.15 118.43 2pa3 h HIS 55 Ca -0.39 -0.51 -0.31 0.00 -1.16 0.00 0.00 60.37 58.00 2pa3 h HIS 55 Cb 1.17 -0.09 -0.22 0.00 1.06 0.00 0.00 27.41 29.32 2pa3 h HIS 55 CO 0.64 1.34 -0.75 -0.06 0.86 0.00 0.00 177.93 179.97 2pa3 s PHE 56 N -3.17 0.77 -0.06 2.45 0.08 -0.82 0.70 117.98 117.93 2pa3 s PHE 56 Ca -0.08 -0.44 0.03 0.00 0.12 0.00 0.00 56.93 56.56 2pa3 s PHE 56 Cb 0.07 -0.46 0.01 0.00 -0.57 0.00 0.00 43.02 42.07 2pa3 s PHE 56 CO 0.91 -0.04 -0.12 -1.50 -0.10 0.00 0.00 175.22 174.36 2pa3 s ILE 57 N -1.18 1.12 -0.10 0.64 2.07 -1.17 -0.48 121.20 122.12 2pa3 s ILE 57 Ca -0.07 -0.49 -0.01 0.00 -1.41 0.00 0.00 60.65 58.67 2pa3 s ILE 57 Cb -0.09 -1.01 -0.03 0.00 0.13 0.00 0.00 42.46 41.46 2pa3 s ILE 57 CO 0.01 0.35 -0.04 -0.83 -1.91 0.00 0.00 174.94 172.51 2pa3 s GLY 58 N 0.52 1.74 0.33 1.50 0.00 0.57 -0.54 107.32 111.43 2pa3 s GLY 58 Ca -0.12 -0.85 -0.00 0.00 0.00 0.00 0.00 44.72 43.75 2pa3 s GLY 58 CO 0.03 -0.48 0.43 1.47 0.00 0.00 0.00 173.10 174.55 2pa3 n LEU 59 N 2.57 0.00 0.00 0.66 -0.00 -0.61 -0.81 117.00 118.81 2pa3 n LEU 59 Ca -0.18 -2.74 0.00 0.00 -0.00 0.00 0.00 56.01 53.09 2pa3 n LEU 59 Cb 0.53 2.26 0.00 0.00 -0.00 0.00 0.00 43.42 46.21 2pa3 n LEU 59 CO 0.29 -0.60 0.00 0.54 -0.00 0.00 0.00 177.39 177.62 2pa3 n ARG 60 N -0.55 0.21 0.04 1.47 1.74 -1.26 -1.23 116.66 117.08 2pa3 n ARG 60 Ca 0.02 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.21 2pa3 n ARG 60 Cb 0.56 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.97 2pa3 n ARG 60 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2pa3 n SER 61 N 0.00 0.56 0.02 0.55 3.41 -1.26 -4.26 113.62 112.65 2pa3 n SER 61 Ca 0.00 -0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 2pa3 n SER 61 Cb 0.00 0.93 -0.13 0.00 -0.26 0.00 0.00 64.21 64.75 2pa3 n SER 61 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2pa3 h ARG 62 N 0.00 0.00 -6.56 4.33 3.08 -1.99 -3.45 114.38 109.79 2pa3 h ARG 62 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 2pa3 h ARG 62 Cb 0.87 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.93 2pa3 h ARG 62 CO 0.00 0.76 0.63 0.99 -1.07 0.00 0.00 179.97 181.29 2pa3 s THR 63 N -2.66 3.58 -0.91 2.04 2.01 -1.26 -4.98 115.64 113.46 2pa3 s THR 63 Ca -0.02 1.18 -0.13 0.00 0.31 0.00 0.00 61.69 63.04 2pa3 s THR 63 Cb 0.09 -3.76 0.23 0.00 0.01 0.00 0.00 72.50 69.08 2pa3 s THR 63 CO 0.82 0.12 0.88 -1.00 -0.69 0.00 0.00 174.62 174.75 2pa3 s HIS 64 N 0.80 3.89 -0.68 4.92 3.76 -1.26 -4.63 115.29 122.09 2pa3 s HIS 64 Ca 0.60 -2.18 -0.27 0.00 -0.15 0.00 0.00 55.06 53.06 2pa3 s HIS 64 Cb -0.34 -3.84 0.00 0.00 1.11 0.00 0.00 32.58 29.51 2pa3 s HIS 64 CO 0.32 -0.99 1.62 -0.51 -0.85 0.00 0.00 174.74 174.32 2pa3 s LEU 65 N -0.17 3.24 0.45 0.89 1.43 0.17 -4.90 118.68 119.77 2pa3 s LEU 65 Ca 0.22 -0.05 0.07 0.00 -1.03 0.00 0.00 54.13 53.34 2pa3 s LEU 65 Cb -0.10 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.57 2pa3 s LEU 65 CO -0.09 -2.15 0.37 0.28 0.23 0.00 0.00 176.35 174.99 2pa3 s THR 66 N 7.65 2.38 0.20 5.49 -1.32 -1.26 -1.92 115.64 126.86 2pa3 s THR 66 Ca 0.54 -1.42 -0.14 0.00 -1.21 0.00 0.00 61.69 59.45 2pa3 s THR 66 Cb -0.10 -2.79 0.21 0.00 -1.51 0.00 0.00 72.50 68.30 2pa3 s THR 66 CO 0.17 0.00 1.63 -0.08 -2.21 0.00 0.00 174.62 174.13 2pa3 h GLU 67 N 1.00 -0.02 -0.63 7.08 4.81 -1.92 0.40 114.58 125.30 2pa3 h GLU 67 Ca -0.40 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.77 2pa3 h GLU 67 Cb 1.27 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 2pa3 h GLU 67 CO 0.59 -0.01 0.14 -0.44 -0.73 0.00 0.00 179.01 178.56 2pa3 h ASP 68 N -0.02 0.95 -0.13 1.04 3.45 -1.97 0.67 116.42 120.40 2pa3 h ASP 68 Ca 0.28 -0.19 -0.03 0.00 0.43 0.00 0.00 57.03 57.52 2pa3 h ASP 68 Cb 0.45 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 38.97 2pa3 h ASP 68 CO -0.62 0.92 -0.03 0.58 -1.57 0.00 0.00 179.24 178.52 2pa3 h VAL 69 N 0.95 1.29 -0.45 -1.35 2.07 -1.62 -0.72 116.25 116.43 2pa3 h VAL 69 Ca 0.20 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 2pa3 h VAL 69 Cb 0.35 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 2pa3 h VAL 69 CO 0.00 0.28 0.22 0.40 0.02 0.00 0.00 177.57 178.49 2pa3 h ILE 70 N -0.06 1.18 0.00 4.57 2.04 0.03 -1.50 117.51 123.77 2pa3 h ILE 70 Ca 0.03 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 2pa3 h ILE 70 Cb 0.44 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2pa3 h ILE 70 CO 0.01 0.20 -0.07 0.78 0.00 0.00 0.00 178.15 179.07 2pa3 h ASN 71 N 0.58 0.00 1.01 1.72 2.35 0.61 -1.94 115.58 119.91 2pa3 h ASN 71 Ca 0.15 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.75 2pa3 h ASN 71 Cb 0.11 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 2pa3 h ASN 71 CO -0.02 0.07 -1.05 0.00 -1.65 0.00 0.00 177.43 174.78 2pa3 h ALA 72 N 1.93 0.64 -1.98 -0.83 0.00 -0.68 -3.44 119.26 114.90 2pa3 h ALA 72 Ca -0.00 -0.73 -0.58 0.00 0.00 0.00 0.00 54.91 53.61 2pa3 h ALA 72 Cb 0.27 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2pa3 h ALA 72 CO 0.01 0.86 1.35 0.00 0.00 0.00 0.00 179.25 181.47 2pa3 s ALA 73 N -2.91 2.92 -0.86 0.00 0.00 -0.61 -4.80 121.76 115.51 2pa3 s ALA 73 Ca -0.00 0.61 0.24 0.00 0.00 0.00 0.00 51.96 52.80 2pa3 s ALA 73 Cb 0.08 -4.01 0.23 0.00 0.00 0.00 0.00 23.12 19.42 2pa3 s ALA 73 CO 0.79 -2.52 1.20 -0.85 0.00 0.00 0.00 175.76 174.38 2pa3 n GLU 74 N 8.40 0.11 -0.11 0.00 0.28 -1.11 -4.14 120.64 124.07 2pa3 n GLU 74 Ca 0.25 0.01 0.08 0.00 -0.16 0.00 0.00 57.16 57.34 2pa3 n GLU 74 Cb 0.45 -1.54 0.11 0.00 1.43 0.00 0.00 31.44 31.89 2pa3 n GLU 74 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2pa3 n LYS 75 N -1.68 1.29 -2.67 3.44 5.02 -1.25 -5.05 118.16 117.26 2pa3 n LYS 75 Ca 0.04 -2.29 -0.43 0.00 -2.02 0.00 0.00 58.31 53.61 2pa3 n LYS 75 Cb 0.37 -1.34 -0.02 0.00 -0.02 0.00 0.00 35.03 34.02 2pa3 n LYS 75 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2pa3 s LEU 76 N -2.38 3.95 -0.12 -0.35 2.96 -1.18 -4.13 118.68 117.42 2pa3 s LEU 76 Ca 0.25 1.00 -0.08 0.00 -0.22 0.00 0.00 54.13 55.08 2pa3 s LEU 76 Cb 0.22 -3.49 -0.26 0.00 0.50 0.00 0.00 46.19 43.16 2pa3 s LEU 76 CO 0.02 -0.86 0.37 0.52 -1.32 0.00 0.00 176.35 175.09 2pa3 n VAL 77 N 5.85 1.77 -3.56 1.68 0.31 0.22 -4.84 118.33 119.76 2pa3 n VAL 77 Ca 0.11 -0.61 -0.11 0.00 -0.01 0.00 0.00 64.34 63.72 2pa3 n VAL 77 Cb 0.47 -1.77 -0.03 0.00 -0.91 0.00 0.00 33.84 31.61 2pa3 n VAL 77 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pa3 s ALA 78 N -2.54 -1.37 -0.03 3.52 0.00 -1.19 -3.99 121.76 116.16 2pa3 s ALA 78 Ca -0.23 0.20 0.05 0.00 0.00 0.00 0.00 51.96 51.99 2pa3 s ALA 78 Cb 0.06 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 24.03 2pa3 s ALA 78 CO 0.76 -0.80 -0.19 0.42 0.00 0.00 0.00 175.76 175.95 2pa3 s ILE 79 N -3.80 1.50 -0.28 0.00 1.01 -0.68 -3.02 121.20 115.92 2pa3 s ILE 79 Ca 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.90 2pa3 s ILE 79 Cb -0.01 -1.26 0.06 0.00 0.01 0.00 0.00 42.46 41.25 2pa3 s ILE 79 CO -0.09 0.43 -0.05 -0.83 0.00 0.00 0.00 174.94 174.40 2pa3 s GLY 80 N -0.29 1.72 -1.05 6.18 0.00 0.30 -0.89 107.32 113.29 2pa3 s GLY 80 Ca 0.03 -1.78 -0.21 0.00 0.00 0.00 0.00 44.72 42.76 2pa3 s GLY 80 CO 0.00 0.66 1.41 0.00 0.00 0.00 0.00 173.10 175.18 2pa3 s ALA 81 N 1.18 3.04 -0.36 3.20 0.00 0.34 -1.58 121.76 127.59 2pa3 s ALA 81 Ca -0.07 -2.55 -0.09 0.00 0.00 0.00 0.00 51.96 49.26 2pa3 s ALA 81 Cb -0.20 -4.41 -0.09 0.00 0.00 0.00 0.00 23.12 18.43 2pa3 s ALA 81 CO -0.03 -3.37 1.52 1.19 0.00 0.00 0.00 175.76 175.07 2pa3 n PHE 82 N 8.04 0.61 -3.87 0.00 3.01 -0.36 -4.02 117.46 120.86 2pa3 n PHE 82 Ca 0.33 -1.08 -0.04 0.00 1.01 0.00 0.00 57.45 57.67 2pa3 n PHE 82 Cb 0.49 -1.06 0.02 0.00 -0.01 0.00 0.00 39.48 38.92 2pa3 n PHE 82 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pa3 s ALA 83 N 4.81 -1.40 -0.12 4.37 0.00 -1.26 -4.79 121.76 123.37 2pa3 s ALA 83 Ca 0.28 -0.45 -0.22 0.00 0.00 0.00 0.00 51.96 51.57 2pa3 s ALA 83 Cb 0.07 0.75 -0.19 0.00 0.00 0.00 0.00 23.12 23.74 2pa3 s ALA 83 CO 0.05 -1.05 0.65 0.82 0.00 0.00 0.00 175.76 176.23 2pa3 h ILE 84 N 2.00 1.31 -3.63 0.00 2.04 -1.82 -2.45 117.51 114.96 2pa3 h ILE 84 Ca -0.29 -1.89 -0.44 0.00 1.00 0.00 0.00 64.86 63.24 2pa3 h ILE 84 Cb 1.22 2.44 0.18 0.00 -0.74 0.00 0.00 36.82 39.93 2pa3 h ILE 84 CO 0.37 0.43 0.12 -0.83 0.00 0.00 0.00 178.15 178.25 2pa3 s GLY 85 N -3.94 1.55 0.00 5.37 0.00 -1.26 -4.66 107.32 104.39 2pa3 s GLY 85 Ca -0.14 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 44.20 2pa3 s GLY 85 CO 0.53 0.30 0.04 -0.37 0.00 0.00 0.00 173.10 173.60 2pa3 n THR 86 N -4.50 0.00 0.64 0.90 5.66 -1.26 -4.94 114.28 110.78 2pa3 n THR 86 Ca 0.05 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.14 2pa3 n THR 86 Cb 0.57 0.49 0.39 0.00 -1.55 0.00 0.00 70.33 70.23 2pa3 n THR 86 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2pa3 n ASN 87 N 0.00 0.00 -0.06 1.09 5.03 -1.26 -1.68 115.26 118.38 2pa3 n ASN 87 Ca 0.00 0.48 0.14 0.00 0.87 0.00 0.00 54.58 56.07 2pa3 n ASN 87 Cb 0.31 -0.49 0.68 0.00 -1.02 0.00 0.00 39.78 39.26 2pa3 n ASN 87 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2pa3 n GLN 88 N -1.49 0.56 -5.11 3.52 3.00 -1.26 -4.78 117.38 111.82 2pa3 n GLN 88 Ca 0.05 -0.12 -0.32 0.00 -0.01 0.00 0.00 57.00 56.60 2pa3 n GLN 88 Cb 0.21 -1.50 -0.15 0.00 0.00 0.00 0.00 30.24 28.80 2pa3 n GLN 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2pa3 s VAL 89 N -2.52 2.44 -0.63 5.09 1.01 -0.67 -0.66 120.40 124.46 2pa3 s VAL 89 Ca 0.29 -0.93 -0.21 0.00 0.00 0.00 0.00 61.98 61.13 2pa3 s VAL 89 Cb 0.20 -1.93 0.08 0.00 0.00 0.00 0.00 36.38 34.74 2pa3 s VAL 89 CO 0.47 0.57 0.85 -0.62 0.00 0.00 0.00 175.10 176.37 2pa3 s ASP 90 N -0.20 6.18 0.08 3.32 3.68 -0.81 -4.90 116.67 124.02 2pa3 s ASP 90 Ca -0.02 -1.15 -0.25 0.00 2.13 0.00 0.00 52.55 53.26 2pa3 s ASP 90 Cb -0.13 -2.37 -0.16 0.00 -1.45 0.00 0.00 42.92 38.81 2pa3 s ASP 90 CO 0.03 -1.29 1.68 -0.07 0.13 0.00 0.00 175.17 175.65 2pa3 h LEU 91 N 10.74 -0.14 -0.88 -1.34 4.07 -1.91 -1.98 115.31 123.87 2pa3 h LEU 91 Ca -0.29 -0.03 0.12 0.00 0.08 0.00 0.00 57.88 57.77 2pa3 h LEU 91 Cb 1.08 0.04 -0.08 0.00 1.08 0.00 0.00 40.66 42.77 2pa3 h LEU 91 CO 1.14 -0.07 0.50 0.44 -1.08 0.00 0.00 178.44 179.38 2pa3 h ASP 92 N -0.20 0.69 0.02 -0.43 3.32 -1.94 0.20 116.42 118.07 2pa3 h ASP 92 Ca -0.02 0.07 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 2pa3 h ASP 92 Cb 0.16 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2pa3 h ASP 92 CO 0.03 0.34 -0.35 0.00 -1.72 0.00 0.00 179.24 177.55 2pa3 h ALA 93 N 1.52 1.01 -0.35 3.45 0.00 -1.90 0.10 119.26 123.09 2pa3 h ALA 93 Ca 0.45 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 2pa3 h ALA 93 Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2pa3 h ALA 93 CO -0.30 0.60 -0.28 0.00 0.00 0.00 0.00 179.25 179.27 2pa3 h ALA 94 N 1.25 0.50 0.49 0.00 0.00 -0.55 -3.14 119.26 117.81 2pa3 h ALA 94 Ca 0.04 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2pa3 h ALA 94 Cb 0.79 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2pa3 h ALA 94 CO 0.06 0.52 -0.45 0.00 0.00 0.00 0.00 179.25 179.38 2pa3 h ALA 95 N 0.75 -1.13 -1.46 0.00 0.00 -0.12 0.34 119.26 117.65 2pa3 h ALA 95 Ca 0.06 -0.18 0.42 0.00 0.00 0.00 0.00 54.91 55.22 2pa3 h ALA 95 Cb 0.85 0.66 -0.06 0.00 0.00 0.00 0.00 17.79 19.24 2pa3 h ALA 95 CO 0.07 -1.15 1.06 0.87 0.00 0.00 0.00 179.25 180.11 2pa3 h LYS 96 N -0.92 0.00 -0.64 0.00 1.57 -0.84 1.84 116.57 117.58 2pa3 h LYS 96 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2pa3 h LYS 96 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2pa3 h LYS 96 CO -0.03 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.39 2pa3 n ARG 97 N -4.08 2.57 -3.02 3.15 1.74 -0.95 -4.93 116.66 111.14 2pa3 n ARG 97 Ca 0.32 -2.42 -0.12 0.00 -0.77 0.00 0.00 57.85 54.85 2pa3 n ARG 97 Cb 1.52 -1.53 0.05 0.00 -1.02 0.00 0.00 32.46 31.48 2pa3 n ARG 97 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pa3 n GLY 98 N 1.58 0.02 3.14 -0.13 0.00 0.62 -4.91 105.19 105.51 2pa3 n GLY 98 Ca 0.22 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2pa3 n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pa3 s ILE 99 N -3.20 2.95 0.47 -0.61 1.01 0.12 -4.89 121.20 117.04 2pa3 s ILE 99 Ca 0.20 -1.68 -0.20 0.00 0.00 0.00 0.00 60.65 58.96 2pa3 s ILE 99 Cb -0.09 -2.83 -0.09 0.00 0.01 0.00 0.00 42.46 39.46 2pa3 s ILE 99 CO 0.44 -0.31 1.00 -2.16 0.00 0.00 0.00 174.94 173.91 2pa3 s PRO 100 N 1.18 3.96 -0.21 2.79 0.04 -1.26 -3.97 135.00 137.53 2pa3 s PRO 100 Ca -0.00 1.26 -0.02 0.00 0.04 0.00 0.00 61.00 62.27 2pa3 s PRO 100 Cb -0.20 -2.13 -0.00 0.00 0.04 0.00 0.00 34.50 32.21 2pa3 s PRO 100 CO -0.03 -0.28 -0.09 0.08 0.04 0.00 0.00 177.00 176.72 2pa3 s VAL 101 N -2.08 3.03 0.26 -0.36 1.01 -1.26 -1.69 120.40 119.31 2pa3 s VAL 101 Ca 0.65 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 62.08 2pa3 s VAL 101 Cb -0.13 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 2pa3 s VAL 101 CO 0.18 0.46 0.28 -0.36 0.00 0.00 0.00 175.10 175.66 2pa3 s PHE 102 N 1.38 3.20 0.00 5.22 0.08 -0.07 -0.96 117.98 126.83 2pa3 s PHE 102 Ca 0.05 -0.11 0.00 0.00 0.12 0.00 0.00 56.93 56.99 2pa3 s PHE 102 Cb -0.14 -1.55 0.00 0.00 -0.57 0.00 0.00 43.02 40.76 2pa3 s PHE 102 CO -0.05 0.42 0.00 0.27 -0.10 0.00 0.00 175.22 175.75 2pa3 n ASN 103 N -1.31 0.00 -3.40 1.36 6.94 -1.26 -0.50 115.26 117.09 2pa3 n ASN 103 Ca -0.07 0.00 -0.26 0.00 -0.02 0.00 0.00 54.58 54.23 2pa3 n ASN 103 Cb 0.58 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.90 2pa3 n ASN 103 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2pa3 s ALA 104 N -1.27 0.77 -0.47 -2.53 0.00 -0.92 -4.65 121.76 112.68 2pa3 s ALA 104 Ca 0.00 -1.87 0.24 0.00 0.00 0.00 0.00 51.96 50.32 2pa3 s ALA 104 Cb 0.00 -1.70 0.33 0.00 0.00 0.00 0.00 23.12 21.74 2pa3 s ALA 104 CO 0.00 -2.07 1.44 -1.00 0.00 0.00 0.00 175.76 174.12 2pa3 h PRO 105 N 6.49 0.00 -1.19 0.00 0.13 -1.86 -3.34 132.00 132.23 2pa3 h PRO 105 Ca 0.13 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.81 2pa3 h PRO 105 Cb 0.97 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.69 2pa3 h PRO 105 CO 0.28 0.00 -1.02 1.19 -0.23 0.00 0.00 178.00 178.22 2pa3 n PHE 106 N -2.68 2.02 1.32 1.56 3.72 -1.26 -4.77 117.46 117.36 2pa3 n PHE 106 Ca 0.03 -2.90 0.13 0.00 -0.05 0.00 0.00 57.45 54.66 2pa3 n PHE 106 Cb 0.50 -0.26 0.38 0.00 -0.94 0.00 0.00 39.48 39.16 2pa3 n PHE 106 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2pa3 n SER 107 N -0.23 1.69 -1.69 4.37 7.64 -1.26 -4.48 113.62 119.66 2pa3 n SER 107 Ca 0.21 -1.45 -0.11 0.00 1.01 0.00 0.00 58.87 58.53 2pa3 n SER 107 Cb 0.76 0.07 0.08 0.00 -1.01 0.00 0.00 64.21 64.10 2pa3 n SER 107 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2pa3 n ASN 108 N 0.17 3.33 -0.01 6.43 2.04 -1.26 -4.69 115.26 121.28 2pa3 n ASN 108 Ca 0.16 -3.46 -0.07 0.00 -0.44 0.00 0.00 54.58 50.77 2pa3 n ASN 108 Cb 0.40 -0.41 0.11 0.00 -2.53 0.00 0.00 39.78 37.36 2pa3 n ASN 108 CO 0.00 0.00 0.00 0.71 -0.44 0.00 0.00 177.26 177.53 2pa3 h THR 109 N 2.61 1.30 0.18 5.53 1.35 -1.95 -2.99 112.91 118.94 2pa3 h THR 109 Ca 0.16 -1.54 -0.01 0.00 -0.55 0.00 0.00 66.41 64.47 2pa3 h THR 109 Cb 1.38 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 2pa3 h THR 109 CO 0.43 0.49 -0.09 -0.09 -0.25 0.00 0.00 175.52 176.01 2pa3 h ARG 110 N 0.46 -0.24 -0.68 4.72 9.65 -1.95 -2.17 114.38 124.18 2pa3 h ARG 110 Ca 0.04 0.02 0.14 0.00 -1.10 0.00 0.00 59.98 59.08 2pa3 h ARG 110 Cb 0.88 0.05 -0.13 0.00 -1.39 0.00 0.00 29.97 29.38 2pa3 h ARG 110 CO 0.08 -0.01 -0.16 0.77 2.80 0.00 0.00 179.97 183.44 2pa3 h SER 111 N -0.43 -0.62 -0.40 -3.80 0.02 -1.82 0.27 113.55 106.77 2pa3 h SER 111 Ca -0.03 0.20 -0.11 0.00 -0.84 0.00 0.00 61.79 61.01 2pa3 h SER 111 Cb 0.34 0.42 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 2pa3 h SER 111 CO 0.04 -0.22 -0.17 0.58 -1.14 0.00 0.00 176.83 175.92 2pa3 h VAL 112 N 0.00 1.27 -0.13 2.27 2.07 -1.38 -1.95 116.25 118.40 2pa3 h VAL 112 Ca 0.33 -1.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 2pa3 h VAL 112 Cb 0.50 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2pa3 h VAL 112 CO -0.69 0.44 0.08 0.00 0.02 0.00 0.00 177.57 177.42 2pa3 h ALA 113 N 1.03 0.17 -0.32 1.67 0.00 -0.48 -2.23 119.26 119.09 2pa3 h ALA 113 Ca 0.12 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2pa3 h ALA 113 Cb 0.70 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2pa3 h ALA 113 CO 0.05 -0.32 0.15 0.93 0.00 0.00 0.00 179.25 180.07 2pa3 h GLU 114 N 0.13 0.31 -0.86 0.00 5.08 -0.86 -1.54 114.58 116.84 2pa3 h GLU 114 Ca 0.05 -0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.51 2pa3 h GLU 114 Cb 0.04 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.14 2pa3 h GLU 114 CO -0.01 0.21 0.48 1.25 -1.00 0.00 0.00 179.01 179.94 2pa3 h LEU 115 N 0.32 0.65 -0.74 1.33 5.85 -1.11 0.15 115.31 121.76 2pa3 h LEU 115 Ca 0.13 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.83 2pa3 h LEU 115 Cb 0.05 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2pa3 h LEU 115 CO -0.10 0.32 -0.00 0.58 -0.34 0.00 0.00 178.44 178.90 2pa3 h VAL 116 N 0.74 1.26 0.20 1.05 2.07 -0.73 -0.41 116.25 120.43 2pa3 h VAL 116 Ca 0.44 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 2pa3 h VAL 116 Cb 0.52 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2pa3 h VAL 116 CO -0.30 0.40 -0.10 0.40 0.02 0.00 0.00 177.57 177.99 2pa3 h ILE 117 N 0.88 0.87 -0.74 4.57 1.08 0.16 0.20 117.51 124.53 2pa3 h ILE 117 Ca 0.16 -0.40 0.10 0.00 -0.39 0.00 0.00 64.86 64.33 2pa3 h ILE 117 Cb 0.52 1.11 -0.07 0.00 -3.07 0.00 0.00 36.82 35.31 2pa3 h ILE 117 CO 0.03 0.09 0.38 1.23 -0.69 0.00 0.00 178.15 179.19 2pa3 h GLY 118 N -0.47 1.13 0.85 5.37 0.00 -1.04 -1.58 103.07 107.34 2pa3 h GLY 118 Ca -0.03 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 2pa3 h GLY 118 CO 0.05 0.05 -0.02 0.83 0.00 0.00 0.00 176.54 177.45 2pa3 h GLU 119 N 0.63 0.46 0.00 4.80 5.08 -0.65 -2.64 114.58 122.26 2pa3 h GLU 119 Ca 0.37 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.51 2pa3 h GLU 119 Cb 0.41 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2pa3 h GLU 119 CO -0.28 0.65 -0.30 1.37 -1.00 0.00 0.00 179.01 179.44 2pa3 h LEU 120 N 0.23 0.00 0.70 1.33 8.10 -0.72 0.61 115.31 125.56 2pa3 h LEU 120 Ca 0.07 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 58.03 2pa3 h LEU 120 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.67 2pa3 h LEU 120 CO 0.02 0.30 -0.37 -0.07 -4.11 0.00 0.00 178.44 174.21 2pa3 h LEU 121 N 0.00 -0.91 -0.59 0.17 3.38 -1.08 -0.45 115.31 115.84 2pa3 h LEU 121 Ca -0.00 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 2pa3 h LEU 121 Cb 0.63 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2pa3 h LEU 121 CO 0.04 -0.61 -0.43 -0.07 0.09 0.00 0.00 178.44 177.46 2pa3 h LEU 122 N -0.99 0.69 -0.21 1.67 3.38 -1.24 -2.84 115.31 115.76 2pa3 h LEU 122 Ca -0.09 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.58 2pa3 h LEU 122 Cb 0.78 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2pa3 h LEU 122 CO 0.13 1.02 0.06 -0.07 0.09 0.00 0.00 178.44 179.67 2pa3 h LEU 123 N 0.52 0.05 -2.17 1.67 3.38 -0.83 -0.49 115.31 117.45 2pa3 h LEU 123 Ca 0.04 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2pa3 h LEU 123 Cb 0.95 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2pa3 h LEU 123 CO 0.09 0.06 0.15 -0.07 0.09 0.00 0.00 178.44 178.76 2pa3 h LEU 124 N 0.15 0.00 -2.99 1.67 3.38 -0.84 0.23 115.31 116.92 2pa3 h LEU 124 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2pa3 h LEU 124 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2pa3 h LEU 124 CO -0.10 0.00 0.00 0.54 0.09 0.00 0.00 178.44 178.97 2pa3 n ARG 125 N -2.78 2.96 -2.22 1.13 5.12 -0.29 -1.59 116.66 119.00 2pa3 n ARG 125 Ca -0.02 -2.34 -0.20 0.00 -1.93 0.00 0.00 57.85 53.36 2pa3 n ARG 125 Cb 0.20 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 30.01 2pa3 n ARG 125 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2pa3 n GLY 126 N 0.39 0.05 0.18 -0.13 0.00 0.07 -4.90 105.19 100.84 2pa3 n GLY 126 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 2pa3 n GLY 126 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2pa3 h VAL 127 N 0.00 1.28 -0.62 1.61 2.07 -1.51 -2.17 116.25 116.90 2pa3 h VAL 127 Ca -0.46 -2.41 -0.01 0.00 0.82 0.00 0.00 66.70 64.64 2pa3 h VAL 127 Cb 1.34 2.61 -0.03 0.00 -1.52 0.00 0.00 31.29 33.69 2pa3 h VAL 127 CO 0.57 0.74 0.36 -0.65 0.02 0.00 0.00 177.57 178.61 2pa3 h PRO 128 N 0.31 0.86 -0.01 1.57 0.11 -1.85 0.24 132.00 133.24 2pa3 h PRO 128 Ca -0.17 -0.09 0.03 0.00 0.11 0.00 0.00 66.00 65.88 2pa3 h PRO 128 Cb 1.86 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.76 2pa3 h PRO 128 CO 0.23 0.64 -0.18 1.49 -0.21 0.00 0.00 178.00 179.96 2pa3 h GLU 129 N 0.85 -0.28 0.00 1.05 4.81 -1.57 -0.79 114.58 118.63 2pa3 h GLU 129 Ca 0.22 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 2pa3 h GLU 129 Cb 0.01 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 2pa3 h GLU 129 CO -0.04 -0.19 -0.15 0.00 -0.73 0.00 0.00 179.01 177.90 2pa3 h ALA 130 N 0.62 1.23 0.07 2.92 0.00 -1.05 -2.68 119.26 120.37 2pa3 h ALA 130 Ca 0.06 -0.14 -0.28 0.00 0.00 0.00 0.00 54.91 54.55 2pa3 h ALA 130 Cb 0.37 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2pa3 h ALA 130 CO -0.18 0.19 -1.42 -0.97 0.00 0.00 0.00 179.25 176.87 2pa3 h ASN 131 N 0.00 0.23 -0.25 0.00 -0.73 -0.47 -0.92 115.58 113.44 2pa3 h ASN 131 Ca -0.00 -0.31 0.02 0.00 1.87 0.00 0.00 56.30 57.88 2pa3 h ASN 131 Cb 0.43 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 38.93 2pa3 h ASN 131 CO 0.02 1.26 0.11 0.00 -0.37 0.00 0.00 177.43 178.44 2pa3 h ALA 132 N 0.71 0.29 -0.53 1.57 0.00 -1.01 -2.63 119.26 117.65 2pa3 h ALA 132 Ca -0.19 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.77 2pa3 h ALA 132 Cb 1.95 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.69 2pa3 h ALA 132 CO 0.14 -0.30 0.30 0.87 0.00 0.00 0.00 179.25 180.26 2pa3 h LYS 133 N 0.23 0.58 -0.37 0.00 1.57 -1.45 -2.84 116.57 114.28 2pa3 h LYS 133 Ca 0.10 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 2pa3 h LYS 133 Cb 0.05 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2pa3 h LYS 133 CO -0.09 0.38 0.05 0.00 -0.57 0.00 0.00 179.45 179.22 2pa3 h ALA 134 N 1.26 1.40 0.00 3.86 0.00 -0.89 0.17 119.26 125.05 2pa3 h ALA 134 Ca 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2pa3 h ALA 134 Cb 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2pa3 h ALA 134 CO -0.12 0.43 0.00 0.72 0.00 0.00 0.00 179.25 180.28 2pa3 n HIS 135 N -4.30 0.74 -0.13 0.00 8.25 -1.01 -1.95 115.22 116.82 2pa3 n HIS 135 Ca 0.02 0.28 0.11 0.00 -0.26 0.00 0.00 57.72 57.87 2pa3 n HIS 135 Cb 0.22 -0.95 0.30 0.00 1.12 0.00 0.00 29.99 30.68 2pa3 n HIS 135 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2pa3 n ARG 136 N -2.16 2.56 0.00 -0.41 1.74 0.54 -4.93 116.66 113.99 2pa3 n ARG 136 Ca 0.03 -2.42 0.00 0.00 -0.77 0.00 0.00 57.85 54.69 2pa3 n ARG 136 Cb 0.26 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 2pa3 n ARG 136 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pa3 n GLY 137 N 1.57 2.84 3.75 -0.13 0.00 -0.82 -5.03 105.19 107.37 2pa3 n GLY 137 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 2pa3 n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pa3 s VAL 138 N -1.95 4.57 -0.38 1.61 0.11 -0.85 -4.96 120.40 118.54 2pa3 s VAL 138 Ca 0.00 1.71 -0.02 0.00 -2.93 0.00 0.00 61.98 60.74 2pa3 s VAL 138 Cb 0.00 -4.15 0.10 0.00 -1.53 0.00 0.00 36.38 30.80 2pa3 s VAL 138 CO 0.00 0.42 0.15 0.86 -3.33 0.00 0.00 175.10 173.20 2pa3 s TRP 139 N -0.45 3.58 -0.68 1.54 -0.11 -1.26 -2.57 118.94 118.98 2pa3 s TRP 139 Ca 0.38 -2.44 0.05 0.00 1.22 0.00 0.00 56.10 55.31 2pa3 s TRP 139 Cb -0.22 -3.02 0.18 0.00 -1.50 0.00 0.00 33.47 28.91 2pa3 s TRP 139 CO 0.25 -0.95 0.50 0.09 -4.62 0.00 0.00 176.95 172.23 2pa3 n ASN 140 N 4.54 2.77 -4.55 5.86 5.03 -1.26 -5.03 115.26 122.62 2pa3 n ASN 140 Ca -0.03 -3.16 -0.38 0.00 0.87 0.00 0.00 54.58 51.88 2pa3 n ASN 140 Cb 0.42 -0.73 -0.03 0.00 -1.02 0.00 0.00 39.78 38.41 2pa3 n ASN 140 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 2pa3 s LYS 141 N -1.43 2.73 -0.77 3.52 2.20 -1.26 -4.82 119.74 119.91 2pa3 s LYS 141 Ca 0.27 0.38 0.03 0.00 -0.36 0.00 0.00 55.97 56.29 2pa3 s LYS 141 Cb -0.02 -4.41 0.23 0.00 -1.51 0.00 0.00 37.83 32.12 2pa3 s LYS 141 CO -0.16 -2.67 0.79 1.28 -0.36 0.00 0.00 175.35 174.22 2pa3 n LEU 142 N 12.22 4.03 0.05 5.43 4.77 -1.26 -4.96 117.00 137.28 2pa3 n LEU 142 Ca 0.19 -5.29 0.13 0.00 -0.03 0.00 0.00 56.01 51.01 2pa3 n LEU 142 Cb 0.51 -0.87 0.50 0.00 -2.33 0.00 0.00 43.42 41.23 2pa3 n LEU 142 CO 0.70 1.82 0.90 0.00 -1.33 0.00 0.00 177.39 179.49 2pa3 n ALA 143 N 1.52 2.21 -0.34 -1.18 0.00 -1.26 -4.34 120.51 117.11 2pa3 n ALA 143 Ca 0.25 -0.05 0.21 0.00 0.00 0.00 0.00 53.44 53.85 2pa3 n ALA 143 Cb 0.38 -1.45 0.45 0.00 0.00 0.00 0.00 19.45 18.83 2pa3 n ALA 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pa3 h ALA 144 N 2.70 1.96 -0.22 0.00 0.00 -2.02 -2.34 119.26 119.35 2pa3 h ALA 144 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2pa3 h ALA 144 Cb 0.57 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2pa3 h ALA 144 CO 0.00 -0.48 0.00 0.41 0.00 0.00 0.00 179.25 179.18 2pa3 n GLY 145 N -1.34 3.16 3.78 0.00 0.00 -1.26 -5.00 105.19 104.52 2pa3 n GLY 145 Ca 0.29 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 2pa3 n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pa3 s SER 146 N -1.26 7.37 0.12 1.61 0.01 -0.88 -4.94 113.70 115.73 2pa3 s SER 146 Ca 0.21 1.80 0.03 0.00 1.31 0.00 0.00 55.95 59.30 2pa3 s SER 146 Cb 0.13 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 2pa3 s SER 146 CO 0.10 0.01 -0.09 -0.36 0.41 0.00 0.00 173.24 173.30 2pa3 s PHE 147 N -1.49 1.11 0.38 2.43 0.08 -0.62 -5.01 117.98 114.87 2pa3 s PHE 147 Ca 0.47 -0.79 -0.18 0.00 0.12 0.00 0.00 56.93 56.55 2pa3 s PHE 147 Cb -0.20 -0.59 -0.10 0.00 -0.57 0.00 0.00 43.02 41.56 2pa3 s PHE 147 CO 0.25 -0.00 0.86 -1.21 -0.10 0.00 0.00 175.22 175.02 2pa3 s GLU 148 N -3.59 4.14 0.27 0.44 2.02 -1.26 -4.39 118.70 116.33 2pa3 s GLU 148 Ca 0.13 0.93 0.03 0.00 0.02 0.00 0.00 54.97 56.07 2pa3 s GLU 148 Cb 0.02 -2.30 0.38 0.00 0.10 0.00 0.00 34.13 32.34 2pa3 s GLU 148 CO -0.01 0.05 1.69 0.00 0.02 0.00 0.00 175.26 177.02 2pa3 h ALA 149 N 2.08 1.06 -2.99 5.21 0.00 -1.92 -3.44 119.26 119.26 2pa3 h ALA 149 Ca -0.48 -0.38 -0.54 0.00 0.00 0.00 0.00 54.91 53.50 2pa3 h ALA 149 Cb 1.18 -0.11 0.12 0.00 0.00 0.00 0.00 17.79 18.98 2pa3 h ALA 149 CO 0.63 0.58 0.68 0.50 0.00 0.00 0.00 179.25 181.64 2pa3 s ARG 150 N -4.37 3.59 0.00 0.00 3.52 -1.25 -1.74 118.95 118.70 2pa3 s ARG 150 Ca -0.06 2.38 0.00 0.00 -0.13 0.00 0.00 55.73 57.92 2pa3 s ARG 150 Cb 0.13 -2.59 0.00 0.00 -1.56 0.00 0.00 34.95 30.94 2pa3 s ARG 150 CO 0.79 -0.88 0.00 0.41 -0.81 0.00 0.00 175.30 174.81 2pa3 n GLY 151 N 0.61 1.96 3.93 8.12 0.00 0.23 -4.93 105.19 115.11 2pa3 n GLY 151 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 2pa3 n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pa3 s LYS 152 N -0.24 2.92 -0.30 1.61 3.01 -0.71 -4.78 119.74 121.25 2pa3 s LYS 152 Ca 0.00 -1.16 -0.08 0.00 -1.01 0.00 0.00 55.97 53.72 2pa3 s LYS 152 Cb 0.00 -2.66 -0.00 0.00 -1.01 0.00 0.00 37.83 34.15 2pa3 s LYS 152 CO 0.00 0.04 0.11 0.15 0.51 0.00 0.00 175.35 176.17 2pa3 s LYS 153 N -4.11 3.26 -0.20 1.68 1.02 -1.26 -0.67 119.74 119.45 2pa3 s LYS 153 Ca 0.44 -0.76 -0.18 0.00 0.02 0.00 0.00 55.97 55.49 2pa3 s LYS 153 Cb -0.08 -3.46 -0.03 0.00 -0.52 0.00 0.00 37.83 33.74 2pa3 s LYS 153 CO 0.29 -0.41 0.49 -1.17 -0.92 0.00 0.00 175.35 173.63 2pa3 s LEU 154 N 1.56 4.15 -0.39 3.17 2.96 -0.29 0.37 118.68 130.20 2pa3 s LEU 154 Ca 0.04 0.63 -0.13 0.00 -0.22 0.00 0.00 54.13 54.45 2pa3 s LEU 154 Cb -0.17 -2.66 0.02 0.00 0.50 0.00 0.00 46.19 43.88 2pa3 s LEU 154 CO 0.04 -0.16 0.26 -0.83 -1.32 0.00 0.00 176.35 174.35 2pa3 s GLY 155 N 1.14 1.98 -0.16 7.98 0.00 0.45 -1.10 107.32 117.61 2pa3 s GLY 155 Ca 0.23 -1.68 -0.11 0.00 0.00 0.00 0.00 44.72 43.15 2pa3 s GLY 155 CO 0.09 0.88 0.21 -0.42 0.00 0.00 0.00 173.10 173.86 2pa3 s ILE 156 N 1.64 5.36 -0.33 0.90 1.01 0.18 -1.20 121.20 128.76 2pa3 s ILE 156 Ca 0.04 0.38 -0.02 0.00 0.00 0.00 0.00 60.65 61.05 2pa3 s ILE 156 Cb -0.19 -3.54 0.07 0.00 0.01 0.00 0.00 42.46 38.81 2pa3 s ILE 156 CO 0.09 0.45 0.06 -0.63 0.00 0.00 0.00 174.94 174.91 2pa3 s ILE 157 N 0.14 3.05 0.00 2.92 1.01 -0.65 -1.11 121.20 126.56 2pa3 s ILE 157 Ca 0.13 -1.61 0.00 0.00 0.00 0.00 0.00 60.65 59.17 2pa3 s ILE 157 Cb -0.12 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.48 2pa3 s ILE 157 CO 0.02 -0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.28 2pa3 n GLY 158 N 4.60 0.76 2.32 6.18 0.00 -0.85 0.01 105.19 118.22 2pa3 n GLY 158 Ca -0.09 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 2pa3 n GLY 158 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2pa3 n TYR 159 N 0.00 2.16 -0.47 1.61 9.36 -1.26 -3.75 117.16 124.81 2pa3 n TYR 159 Ca 0.00 -2.81 0.00 0.00 3.32 0.00 0.00 57.90 58.41 2pa3 n TYR 159 Cb 0.00 -2.20 0.00 0.00 -0.63 0.00 0.00 39.34 36.51 2pa3 n TYR 159 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2pa3 n GLY 160 N 2.93 1.76 0.08 2.98 0.00 -1.26 -4.57 105.19 107.10 2pa3 n GLY 160 Ca 0.70 -1.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 2pa3 n GLY 160 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2pa3 h HIS 161 N 0.00 0.16 0.04 1.61 3.86 -1.93 -1.86 115.15 117.04 2pa3 h HIS 161 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2pa3 h HIS 161 Cb 0.00 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.42 2pa3 h HIS 161 CO 0.00 0.11 -0.02 0.82 0.86 0.00 0.00 177.93 179.70 2pa3 h ILE 162 N 0.17 1.36 -0.86 2.45 2.04 -1.89 -3.09 117.51 117.68 2pa3 h ILE 162 Ca 0.05 -1.42 0.23 0.00 1.00 0.00 0.00 64.86 64.71 2pa3 h ILE 162 Cb -0.01 2.28 -0.14 0.00 -0.74 0.00 0.00 36.82 38.21 2pa3 h ILE 162 CO -0.01 0.35 0.16 1.23 0.00 0.00 0.00 178.15 179.88 2pa3 h GLY 163 N -0.69 1.24 1.10 5.37 0.00 -1.64 0.10 103.07 108.54 2pa3 h GLY 163 Ca -0.01 0.02 -0.14 0.00 0.00 0.00 0.00 47.33 47.20 2pa3 h GLY 163 CO 0.01 -0.37 -0.30 -0.91 0.00 0.00 0.00 176.54 174.97 2pa3 h THR 164 N 0.16 1.27 -0.59 4.70 1.35 -1.38 -1.03 112.91 117.40 2pa3 h THR 164 Ca 0.53 -1.47 -0.07 0.00 -0.55 0.00 0.00 66.41 64.85 2pa3 h THR 164 Cb 1.04 1.30 -0.02 0.00 -1.73 0.00 0.00 68.15 68.74 2pa3 h THR 164 CO -0.69 0.50 0.11 -0.61 -0.25 0.00 0.00 175.52 174.58 2pa3 h GLN 165 N 0.77 0.97 -0.25 4.72 5.75 -1.25 -2.19 115.11 123.62 2pa3 h GLN 165 Ca 0.08 -0.25 0.05 0.00 -0.15 0.00 0.00 58.65 58.38 2pa3 h GLN 165 Cb 0.89 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 29.27 2pa3 h GLN 165 CO 0.08 0.91 -0.08 1.25 -2.65 0.00 0.00 178.83 178.33 2pa3 h LEU 166 N 0.87 -0.29 -0.74 -2.39 5.85 -0.69 -1.41 115.31 116.51 2pa3 h LEU 166 Ca 0.18 0.08 0.04 0.00 0.84 0.00 0.00 57.88 59.02 2pa3 h LEU 166 Cb 0.39 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 2pa3 h LEU 166 CO 0.01 -0.11 0.46 1.23 -0.34 0.00 0.00 178.44 179.69 2pa3 h GLY 167 N -0.03 1.07 1.01 3.75 0.00 -0.92 0.28 103.07 108.23 2pa3 h GLY 167 Ca 0.13 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 2pa3 h GLY 167 CO -0.28 0.28 -0.37 -2.22 0.00 0.00 0.00 176.54 173.95 2pa3 h ILE 168 N 0.89 0.24 -0.74 2.60 2.04 -0.97 -1.01 117.51 120.55 2pa3 h ILE 168 Ca 0.30 -0.01 0.15 0.00 1.00 0.00 0.00 64.86 66.31 2pa3 h ILE 168 Cb 0.05 0.24 -0.10 0.00 -0.74 0.00 0.00 36.82 36.27 2pa3 h ILE 168 CO -0.12 0.00 0.23 -0.07 0.00 0.00 0.00 178.15 178.19 2pa3 h LEU 169 N -1.04 0.13 -1.81 1.44 3.38 -0.84 -0.96 115.31 115.61 2pa3 h LEU 169 Ca -0.11 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2pa3 h LEU 169 Cb 0.80 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2pa3 h LEU 169 CO 0.17 0.02 0.02 0.00 0.09 0.00 0.00 178.44 178.75 2pa3 h ALA 170 N 1.58 1.85 -0.17 1.53 0.00 -0.17 -2.25 119.26 121.63 2pa3 h ALA 170 Ca 0.41 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 55.08 2pa3 h ALA 170 Cb 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2pa3 h ALA 170 CO -0.46 0.12 -0.69 0.93 0.00 0.00 0.00 179.25 179.16 2pa3 h GLU 171 N 0.14 0.68 -0.15 0.00 5.08 0.17 -1.46 114.58 119.04 2pa3 h GLU 171 Ca 0.04 -0.51 0.04 0.00 -1.00 0.00 0.00 59.36 57.93 2pa3 h GLU 171 Cb 0.07 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2pa3 h GLU 171 CO -0.00 1.13 0.16 0.77 -1.00 0.00 0.00 179.01 180.07 2pa3 h SER 172 N 0.48 0.00 -0.03 1.42 0.02 -0.89 0.22 113.55 114.77 2pa3 h SER 172 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2pa3 h SER 172 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2pa3 h SER 172 CO 0.14 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 176.01 2pa3 n LEU 173 N -3.87 1.38 0.00 5.07 7.99 -1.00 -4.92 117.00 121.64 2pa3 n LEU 173 Ca 0.01 -0.47 0.00 0.00 -0.01 0.00 0.00 56.01 55.53 2pa3 n LEU 173 Cb 0.28 -0.01 0.00 0.00 -0.11 0.00 0.00 43.42 43.58 2pa3 n LEU 173 CO 0.28 0.24 0.00 0.61 -1.51 0.00 0.00 177.39 177.01 2pa3 n GLY 174 N 1.15 0.49 3.93 -0.72 0.00 0.78 -3.91 105.19 106.92 2pa3 n GLY 174 Ca 0.19 -0.90 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 2pa3 n GLY 174 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2pa3 s MET 175 N -2.51 3.32 -0.25 1.61 -1.94 -0.58 -0.60 119.30 118.35 2pa3 s MET 175 Ca 0.00 -0.21 -0.15 0.00 -1.71 0.00 0.00 55.69 53.62 2pa3 s MET 175 Cb 0.00 -2.52 -0.04 0.00 2.01 0.00 0.00 34.83 34.28 2pa3 s MET 175 CO 0.00 -0.15 0.38 0.71 -0.01 0.00 0.00 175.02 175.95 2pa3 s TYR 176 N -2.56 3.28 -0.18 -0.03 2.02 0.16 -4.40 117.35 115.64 2pa3 s TYR 176 Ca 0.46 0.46 -0.12 0.00 -0.37 0.00 0.00 57.07 57.50 2pa3 s TYR 176 Cb -0.10 -2.55 -0.05 0.00 -0.40 0.00 0.00 41.96 38.86 2pa3 s TYR 176 CO 0.40 -0.16 0.23 0.08 -1.57 0.00 0.00 175.55 174.52 2pa3 s VAL 177 N 1.85 5.34 0.02 0.71 1.01 -1.26 -1.14 120.40 126.93 2pa3 s VAL 177 Ca 0.16 0.41 0.06 0.00 0.00 0.00 0.00 61.98 62.60 2pa3 s VAL 177 Cb -0.15 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 2pa3 s VAL 177 CO 0.09 0.40 -0.18 -0.31 0.00 0.00 0.00 175.10 175.11 2pa3 s TYR 178 N 0.48 1.55 0.04 5.22 2.02 -0.26 -2.50 117.35 123.90 2pa3 s TYR 178 Ca 0.13 -0.33 0.02 0.00 -0.37 0.00 0.00 57.07 56.52 2pa3 s TYR 178 Cb -0.12 -0.95 -0.02 0.00 -0.40 0.00 0.00 41.96 40.46 2pa3 s TYR 178 CO 0.02 0.03 -0.08 -0.59 -1.57 0.00 0.00 175.55 173.36 2pa3 s PHE 179 N -0.65 0.69 -0.15 2.71 -0.71 -0.32 0.51 117.98 120.06 2pa3 s PHE 179 Ca 0.06 -0.48 -0.01 0.00 -1.04 0.00 0.00 56.93 55.46 2pa3 s PHE 179 Cb -0.08 -0.41 -0.01 0.00 -1.21 0.00 0.00 43.02 41.31 2pa3 s PHE 179 CO 0.01 -0.07 -0.11 -0.47 -1.34 0.00 0.00 175.22 173.23 2pa3 s TYR 180 N -1.31 2.85 -0.01 3.49 5.04 -0.26 -0.90 117.35 126.25 2pa3 s TYR 180 Ca -0.09 -0.76 0.01 0.00 -2.44 0.00 0.00 57.07 53.79 2pa3 s TYR 180 Cb -0.10 -1.90 0.00 0.00 0.35 0.00 0.00 41.96 40.31 2pa3 s TYR 180 CO 0.00 -0.31 -0.02 0.34 -1.34 0.00 0.00 175.55 174.22 2pa3 s ASP 181 N 0.64 0.31 0.66 4.32 -1.08 -1.26 -2.00 116.67 118.25 2pa3 s ASP 181 Ca -0.06 -0.04 0.44 0.00 -0.52 0.00 0.00 52.55 52.36 2pa3 s ASP 181 Cb -0.15 -0.06 2.39 0.00 -1.46 0.00 0.00 42.92 43.64 2pa3 s ASP 181 CO 0.03 0.01 2.35 0.16 0.52 0.00 0.00 175.17 178.23 2pa3 h ILE 182 N 5.26 0.00 -2.48 4.11 3.07 -1.98 -3.41 117.51 122.07 2pa3 h ILE 182 Ca -0.28 0.00 -0.61 0.00 1.55 0.00 0.00 64.86 65.52 2pa3 h ILE 182 Cb 1.19 0.98 -0.14 0.00 -0.27 0.00 0.00 36.82 38.58 2pa3 h ILE 182 CO 0.50 0.00 -0.74 -1.83 -1.05 0.00 0.00 178.15 175.03 2pa3 s GLU 183 N -4.13 1.85 0.28 0.16 -1.05 -1.26 -5.12 118.70 109.42 2pa3 s GLU 183 Ca -0.05 -1.58 -0.28 0.00 -0.15 0.00 0.00 54.97 52.91 2pa3 s GLU 183 Cb 0.13 -1.93 -0.09 0.00 -0.44 0.00 0.00 34.13 31.80 2pa3 s GLU 183 CO 0.40 0.36 0.96 1.21 0.95 0.00 0.00 175.26 179.14 2pa3 s ASN 184 N -3.32 7.47 0.05 0.83 2.47 -1.26 -5.05 114.94 116.13 2pa3 s ASN 184 Ca 0.28 1.94 0.00 0.00 0.42 0.00 0.00 52.86 55.50 2pa3 s ASN 184 Cb -0.06 -2.60 -0.03 0.00 -1.45 0.00 0.00 41.25 37.11 2pa3 s ASN 184 CO 0.15 0.03 -0.04 -0.54 -3.72 0.00 0.00 177.10 172.98 2pa3 s LYS 185 N -1.56 0.53 -0.43 0.43 -0.14 -1.26 -5.12 119.74 112.19 2pa3 s LYS 185 Ca 0.45 -0.96 -0.24 0.00 -1.36 0.00 0.00 55.97 53.85 2pa3 s LYS 185 Cb -0.24 0.05 0.02 0.00 -1.68 0.00 0.00 37.83 35.99 2pa3 s LYS 185 CO 0.30 -0.06 0.86 -1.17 -0.76 0.00 0.00 175.35 174.52 2pa3 s LEU 186 N -2.25 4.10 0.54 3.17 1.98 -1.26 -4.97 118.68 119.98 2pa3 s LEU 186 Ca -0.03 0.13 -0.21 0.00 -2.89 0.00 0.00 54.13 51.14 2pa3 s LEU 186 Cb -0.01 -3.11 -0.07 0.00 0.66 0.00 0.00 46.19 43.67 2pa3 s LEU 186 CO -0.05 -0.94 1.00 -2.65 -1.89 0.00 0.00 176.35 171.82 2pa3 n PRO 187 N 6.88 1.12 -4.13 0.98 -0.02 -1.26 -5.06 135.00 133.51 2pa3 n PRO 187 Ca 0.05 0.42 -0.23 0.00 -2.02 0.00 0.00 63.50 61.71 2pa3 n PRO 187 Cb 0.48 -2.15 -0.05 0.00 -0.02 0.00 0.00 33.50 31.76 2pa3 n PRO 187 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pa3 s LEU 188 N -1.54 3.74 0.00 2.45 1.43 -1.26 -4.90 118.68 118.60 2pa3 s LEU 188 Ca 0.71 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 2pa3 s LEU 188 Cb -0.46 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.46 2pa3 s LEU 188 CO 0.51 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.69 2pa3 n GLY 189 N -0.92 2.76 1.42 -3.19 0.00 -1.26 -0.97 105.19 103.02 2pa3 n GLY 189 Ca -0.08 0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 2pa3 n GLY 189 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pa3 n ASN 190 N 2.10 3.36 -4.14 1.61 5.03 -1.26 -5.01 115.26 116.95 2pa3 n ASN 190 Ca 0.00 -3.50 -0.29 0.00 0.87 0.00 0.00 54.58 51.66 2pa3 n ASN 190 Cb 0.00 -0.67 0.25 0.00 -1.02 0.00 0.00 39.78 38.34 2pa3 n ASN 190 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2pa3 n ALA 191 N -0.85 -3.62 -3.60 5.41 0.00 -0.15 -4.70 120.51 113.00 2pa3 n ALA 191 Ca 0.36 -1.39 -0.07 0.00 0.00 0.00 0.00 53.44 52.35 2pa3 n ALA 191 Cb 1.17 -1.75 -0.08 0.00 0.00 0.00 0.00 19.45 18.80 2pa3 n ALA 191 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2pa3 s THR 192 N -2.28 -0.73 0.28 0.00 2.01 -1.04 -4.86 115.64 109.03 2pa3 s THR 192 Ca 0.64 0.11 -0.29 0.00 0.31 0.00 0.00 61.69 62.46 2pa3 s THR 192 Cb -0.19 -0.76 -0.09 0.00 0.01 0.00 0.00 72.50 71.47 2pa3 s THR 192 CO 0.62 0.03 1.06 -1.58 -0.69 0.00 0.00 174.62 174.07 2pa3 s GLN 193 N 2.67 4.65 -0.07 4.92 0.74 -1.26 -1.18 119.66 130.13 2pa3 s GLN 193 Ca -0.00 1.72 0.05 0.00 0.05 0.00 0.00 55.36 57.18 2pa3 s GLN 193 Cb -0.12 -3.15 -0.01 0.00 1.10 0.00 0.00 33.01 30.82 2pa3 s GLN 193 CO -0.15 0.24 -0.24 0.08 -0.55 0.00 0.00 175.29 174.68 2pa3 s VAL 194 N -1.21 2.18 -0.01 1.34 1.01 -0.07 -4.88 120.40 118.76 2pa3 s VAL 194 Ca 0.45 -1.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.23 2pa3 s VAL 194 Cb -0.30 -1.80 -0.10 0.00 0.00 0.00 0.00 36.38 34.17 2pa3 s VAL 194 CO 0.38 0.57 0.83 1.56 0.00 0.00 0.00 175.10 178.44 2pa3 h GLN 195 N 6.15 -0.64 -6.34 2.72 7.50 -1.96 -3.41 115.11 119.12 2pa3 h GLN 195 Ca -0.31 0.04 -0.51 0.00 0.50 0.00 0.00 58.65 58.37 2pa3 h GLN 195 Cb 1.19 0.14 -0.01 0.00 0.05 0.00 0.00 27.48 28.85 2pa3 h GLN 195 CO 0.48 -0.43 -0.26 -1.58 -1.50 0.00 0.00 178.83 175.54 2pa3 s HIS 196 N -3.77 3.48 0.12 2.96 2.46 -1.26 -4.95 115.29 114.34 2pa3 s HIS 196 Ca -0.10 0.39 0.21 0.00 0.47 0.00 0.00 55.06 56.03 2pa3 s HIS 196 Cb 0.01 -1.90 0.74 0.00 -0.13 0.00 0.00 32.58 31.30 2pa3 s HIS 196 CO 0.29 0.28 1.75 1.25 -2.47 0.00 0.00 174.74 175.84 2pa3 h LEU 197 N 1.62 0.00 -1.23 8.88 6.46 -2.01 -3.17 115.31 125.87 2pa3 h LEU 197 Ca -0.48 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.29 2pa3 h LEU 197 Cb 1.20 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 41.09 2pa3 h LEU 197 CO 0.66 0.31 0.53 0.28 -0.62 0.00 0.00 178.44 179.59 2pa3 h SER 198 N 0.00 0.90 -0.03 1.25 0.02 -1.98 -0.75 113.55 112.96 2pa3 h SER 198 Ca -0.00 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 2pa3 h SER 198 Cb 0.87 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.19 2pa3 h SER 198 CO 0.04 0.64 -0.17 0.44 -1.14 0.00 0.00 176.83 176.65 2pa3 h ASP 199 N 1.06 0.20 -0.30 3.07 3.32 -1.96 -2.48 116.42 119.33 2pa3 h ASP 199 Ca 0.30 -0.66 0.06 0.00 0.02 0.00 0.00 57.03 56.74 2pa3 h ASP 199 Cb -0.09 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.32 2pa3 h ASP 199 CO -0.07 0.83 -0.42 0.25 -1.72 0.00 0.00 179.24 178.11 2pa3 h LEU 200 N -0.42 -1.37 -1.37 1.55 5.85 -1.59 -1.87 115.31 116.09 2pa3 h LEU 200 Ca -0.01 0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.97 2pa3 h LEU 200 Cb 0.83 0.59 -0.05 0.00 0.37 0.00 0.00 40.66 42.40 2pa3 h LEU 200 CO 0.03 -0.39 0.48 -0.07 -0.34 0.00 0.00 178.44 178.15 2pa3 h LEU 201 N -0.39 0.67 -0.48 2.25 4.07 -1.16 -2.24 115.31 118.03 2pa3 h LEU 201 Ca 0.11 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.94 2pa3 h LEU 201 Cb 0.60 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.19 2pa3 h LEU 201 CO -0.50 0.43 -0.28 0.78 -1.08 0.00 0.00 178.44 177.79 2pa3 h ASN 202 N 0.76 0.99 0.10 -0.43 -0.26 -0.87 -3.06 115.58 112.81 2pa3 h ASN 202 Ca 0.31 -0.40 0.00 0.00 -0.56 0.00 0.00 56.30 55.65 2pa3 h ASN 202 Cb 0.25 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 37.24 2pa3 h ASN 202 CO -0.10 1.19 -0.96 1.15 -1.06 0.00 0.00 177.43 177.65 2pa3 n MET 203 N -4.09 0.04 -2.90 0.81 0.00 -0.87 -4.18 117.12 105.93 2pa3 n MET 203 Ca -0.01 -0.01 -0.40 0.00 0.00 0.00 0.00 57.70 57.28 2pa3 n MET 203 Cb 0.49 -1.50 -0.04 0.00 0.00 0.00 0.00 33.22 32.16 2pa3 n MET 203 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2pa3 s SER 204 N -3.10 7.25 0.09 3.17 0.01 -0.87 -4.80 113.70 115.45 2pa3 s SER 204 Ca 0.08 1.50 0.05 0.00 1.31 0.00 0.00 55.95 58.89 2pa3 s SER 204 Cb 0.16 -2.50 -0.23 0.00 0.21 0.00 0.00 66.02 63.67 2pa3 s SER 204 CO 0.84 -0.07 1.16 0.44 0.41 0.00 0.00 173.24 176.01 2pa3 h ASP 205 N 6.05 0.09 -3.40 2.44 3.32 -0.45 -3.39 116.42 121.09 2pa3 h ASP 205 Ca -0.43 -0.10 -0.45 0.00 0.02 0.00 0.00 57.03 56.07 2pa3 h ASP 205 Cb 1.21 -0.03 -0.35 0.00 0.22 0.00 0.00 39.33 40.38 2pa3 h ASP 205 CO 0.73 1.08 -0.79 -0.69 -1.72 0.00 0.00 179.24 177.85 2pa3 s VAL 206 N -2.68 0.72 -0.16 -1.35 1.01 -0.70 -1.23 120.40 116.01 2pa3 s VAL 206 Ca -0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 61.98 61.76 2pa3 s VAL 206 Cb 0.09 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 2pa3 s VAL 206 CO 0.83 0.28 -0.13 -0.69 0.00 0.00 0.00 175.10 175.39 2pa3 s VAL 207 N 1.04 2.87 0.01 2.92 1.01 -0.51 0.17 120.40 127.91 2pa3 s VAL 207 Ca -0.09 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.25 2pa3 s VAL 207 Cb -0.14 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 2pa3 s VAL 207 CO -0.00 0.51 -0.17 -0.55 0.00 0.00 0.00 175.10 174.88 2pa3 s SER 208 N 0.76 2.01 -0.21 3.32 0.15 -0.34 0.11 113.70 119.50 2pa3 s SER 208 Ca -0.05 -0.39 -0.05 0.00 0.70 0.00 0.00 55.95 56.16 2pa3 s SER 208 Cb -0.15 -0.19 -0.02 0.00 -1.71 0.00 0.00 66.02 63.94 2pa3 s SER 208 CO 0.01 0.16 -0.01 -0.76 1.20 0.00 0.00 173.24 173.84 2pa3 s LEU 209 N -0.73 3.20 -0.42 3.45 1.43 -0.80 -1.64 118.68 123.16 2pa3 s LEU 209 Ca 0.06 -0.24 0.10 0.00 -1.03 0.00 0.00 54.13 53.02 2pa3 s LEU 209 Cb -0.07 -1.81 0.33 0.00 0.03 0.00 0.00 46.19 44.66 2pa3 s LEU 209 CO 0.00 0.04 0.74 1.41 0.23 0.00 0.00 176.35 178.78 2pa3 n HIS 210 N 4.38 0.96 -4.20 0.29 8.25 0.10 -3.38 115.22 121.61 2pa3 n HIS 210 Ca -0.17 -3.83 -0.26 0.00 -0.26 0.00 0.00 57.72 53.20 2pa3 n HIS 210 Cb 0.52 -0.43 -0.06 0.00 1.12 0.00 0.00 29.99 31.14 2pa3 n HIS 210 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2pa3 s VAL 211 N -2.61 1.98 0.70 1.59 -7.23 -1.25 -4.46 120.40 109.13 2pa3 s VAL 211 Ca 0.41 -1.72 0.03 0.00 -1.81 0.00 0.00 61.98 58.89 2pa3 s VAL 211 Cb 0.30 -2.70 0.13 0.00 0.56 0.00 0.00 36.38 34.67 2pa3 s VAL 211 CO -0.09 0.00 0.96 -0.81 -0.31 0.00 0.00 175.10 174.85 2pa3 n PRO 212 N -1.33 0.09 -3.54 4.82 -0.04 -1.26 -4.57 135.00 129.16 2pa3 n PRO 212 Ca -0.04 -2.92 -0.41 0.00 -0.04 0.00 0.00 63.50 60.09 2pa3 n PRO 212 Cb 0.65 -0.55 -0.10 0.00 -0.04 0.00 0.00 33.50 33.46 2pa3 n PRO 212 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2pa3 s GLU 213 N -5.03 2.78 0.17 0.54 2.12 -1.26 -4.75 118.70 113.27 2pa3 s GLU 213 Ca 0.66 -1.29 -0.05 0.00 0.36 0.00 0.00 54.97 54.66 2pa3 s GLU 213 Cb -0.04 -3.86 0.02 0.00 0.26 0.00 0.00 34.13 30.51 2pa3 s GLU 213 CO 0.43 -0.88 0.31 0.27 -0.54 0.00 0.00 175.26 174.86 2pa3 n ASN 214 N 5.02 -0.89 0.23 -1.70 0.23 -1.26 -5.05 115.26 111.84 2pa3 n ASN 214 Ca -0.11 -1.74 0.10 0.00 -0.53 0.00 0.00 54.58 52.30 2pa3 n ASN 214 Cb 0.44 1.51 0.54 0.00 -2.08 0.00 0.00 39.78 40.20 2pa3 n ASN 214 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 2pa3 h PRO 215 N 0.00 0.00 0.00 -0.53 0.13 -1.97 -2.53 132.00 127.09 2pa3 h PRO 215 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2pa3 h PRO 215 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2pa3 h PRO 215 CO 0.18 0.22 0.00 -1.13 -0.23 0.00 0.00 178.00 177.04 2pa3 n SER 216 N -3.55 0.51 -0.00 1.44 3.41 -1.26 -3.63 113.62 110.54 2pa3 n SER 216 Ca -0.01 0.59 0.03 0.00 -0.26 0.00 0.00 58.87 59.22 2pa3 n SER 216 Cb 0.37 -0.71 -0.04 0.00 -0.26 0.00 0.00 64.21 63.56 2pa3 n SER 216 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2pa3 n THR 217 N -2.03 0.00 -1.67 6.66 -2.24 -1.06 -4.76 114.28 109.18 2pa3 n THR 217 Ca 0.04 -0.17 -0.65 0.00 -2.27 0.00 0.00 64.05 61.00 2pa3 n THR 217 Cb 0.29 0.51 -0.09 0.00 -2.10 0.00 0.00 70.33 68.94 2pa3 n THR 217 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2pa3 n LYS 218 N -1.56 0.03 -1.22 -0.78 3.00 -0.98 -1.30 118.16 115.34 2pa3 n LYS 218 Ca -0.01 0.01 -0.06 0.00 -0.00 0.00 0.00 58.31 58.26 2pa3 n LYS 218 Cb 0.12 -1.51 -0.02 0.00 0.00 0.00 0.00 35.03 33.61 2pa3 n LYS 218 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2pa3 n ASN 219 N 3.23 -1.60 -0.34 3.14 5.03 0.11 -4.81 115.26 120.01 2pa3 n ASN 219 Ca 0.27 0.16 0.16 0.00 0.87 0.00 0.00 54.58 56.04 2pa3 n ASN 219 Cb -0.01 -1.76 0.32 0.00 -1.02 0.00 0.00 39.78 37.31 2pa3 n ASN 219 CO 0.00 0.00 0.00 -0.03 -1.83 0.00 0.00 177.26 175.40 2pa3 h MET 220 N 0.00 0.01 -4.97 3.52 1.85 -1.05 -3.25 114.93 111.04 2pa3 h MET 220 Ca -0.12 -0.00 -0.68 0.00 -0.61 0.00 0.00 59.70 58.29 2pa3 h MET 220 Cb 0.42 -0.00 -0.18 0.00 0.43 0.00 0.00 31.60 32.27 2pa3 h MET 220 CO 0.18 0.00 0.31 -1.64 -0.40 0.00 0.00 176.91 175.36 2pa3 s MET 221 N -5.97 3.10 0.34 0.39 -1.94 -0.45 -4.82 119.30 109.95 2pa3 s MET 221 Ca -0.13 -1.17 0.02 0.00 -1.71 0.00 0.00 55.69 52.70 2pa3 s MET 221 Cb 0.30 -4.28 -0.01 0.00 2.01 0.00 0.00 34.83 32.85 2pa3 s MET 221 CO 0.78 -1.65 0.07 0.41 -0.01 0.00 0.00 175.02 174.62 2pa3 n GLY 222 N 5.29 3.53 0.32 -0.03 0.00 -1.23 -0.84 105.19 112.24 2pa3 n GLY 222 Ca -0.06 -2.16 0.13 0.00 0.00 0.00 0.00 46.02 43.93 2pa3 n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pa3 h ALA 223 N 1.41 1.14 0.09 4.61 0.00 -1.91 0.23 119.26 124.84 2pa3 h ALA 223 Ca -0.27 0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2pa3 h ALA 223 Cb 0.96 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2pa3 h ALA 223 CO 0.44 -0.53 -0.05 -0.22 0.00 0.00 0.00 179.25 178.90 2pa3 h LYS 224 N 0.07 -0.12 -0.13 0.00 3.64 -1.98 -1.12 116.57 116.94 2pa3 h LYS 224 Ca 0.56 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.94 2pa3 h LYS 224 Cb 1.12 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 2pa3 h LYS 224 CO -0.80 0.02 0.07 0.93 -2.27 0.00 0.00 179.45 177.39 2pa3 h GLU 225 N -0.24 0.19 -0.90 1.90 3.07 -0.97 -2.44 114.58 115.18 2pa3 h GLU 225 Ca -0.01 -0.02 0.11 0.00 -0.50 0.00 0.00 59.36 58.93 2pa3 h GLU 225 Cb 0.20 -0.04 -0.08 0.00 -0.84 0.00 0.00 28.75 27.99 2pa3 h GLU 225 CO 0.02 0.22 0.54 0.82 -1.40 0.00 0.00 179.01 179.21 2pa3 h ILE 226 N 0.10 0.90 0.00 3.13 2.04 -0.98 -1.83 117.51 120.87 2pa3 h ILE 226 Ca 0.05 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.61 2pa3 h ILE 226 Cb 0.09 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.13 2pa3 h ILE 226 CO -0.01 0.16 0.00 -1.54 0.00 0.00 0.00 178.15 176.76 2pa3 n SER 227 N -4.70 0.00 0.05 1.72 3.41 -0.42 -1.74 113.62 111.93 2pa3 n SER 227 Ca 0.16 -0.31 0.13 0.00 -0.26 0.00 0.00 58.87 58.59 2pa3 n SER 227 Cb 0.32 -0.20 0.36 0.00 -0.26 0.00 0.00 64.21 64.43 2pa3 n SER 227 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2pa3 n LEU 228 N -1.20 0.55 -4.76 1.04 4.32 -0.69 -4.89 117.00 111.36 2pa3 n LEU 228 Ca 0.15 0.37 -0.34 0.00 -0.02 0.00 0.00 56.01 56.16 2pa3 n LEU 228 Cb 0.17 -0.31 0.03 0.00 -1.62 0.00 0.00 43.42 41.70 2pa3 n LEU 228 CO 0.18 -0.05 0.78 -0.04 -1.22 0.00 0.00 177.39 177.04 2pa3 s MET 229 N -3.08 2.98 0.37 3.23 -1.94 -0.71 -2.84 119.30 117.30 2pa3 s MET 229 Ca 0.10 1.59 -0.25 0.00 -1.71 0.00 0.00 55.69 55.42 2pa3 s MET 229 Cb 0.15 -1.96 -0.10 0.00 2.01 0.00 0.00 34.83 34.94 2pa3 s MET 229 CO 0.63 -1.15 1.00 -1.59 -0.01 0.00 0.00 175.02 173.91 2pa3 s LYS 230 N -3.63 4.36 0.38 2.03 -2.85 -1.16 -4.90 119.74 113.97 2pa3 s LYS 230 Ca 0.72 1.42 -0.28 0.00 -1.00 0.00 0.00 55.97 56.82 2pa3 s LYS 230 Cb -0.24 -2.64 -0.11 0.00 -2.06 0.00 0.00 37.83 32.78 2pa3 s LYS 230 CO 0.35 0.05 1.47 -2.30 0.10 0.00 0.00 175.35 175.02 2pa3 n PRO 231 N 0.19 2.60 -0.85 1.78 -0.02 -1.26 -1.07 135.00 136.36 2pa3 n PRO 231 Ca 0.04 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 2pa3 n PRO 231 Cb 0.50 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 2pa3 n PRO 231 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pa3 n GLY 232 N 0.49 0.83 2.95 -1.23 0.00 0.07 -5.01 105.19 103.29 2pa3 n GLY 232 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 2pa3 n GLY 232 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pa3 n SER 233 N 0.00 -0.14 -4.26 1.61 3.41 -0.23 -3.76 113.62 110.25 2pa3 n SER 233 Ca 0.00 -1.33 -0.26 0.00 -0.26 0.00 0.00 58.87 57.02 2pa3 n SER 233 Cb 0.00 -0.79 -0.14 0.00 -0.26 0.00 0.00 64.21 63.02 2pa3 n SER 233 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2pa3 s LEU 234 N 0.00 2.16 -0.12 1.04 1.43 -0.36 -0.76 118.68 122.07 2pa3 s LEU 234 Ca 0.58 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 2pa3 s LEU 234 Cb -0.02 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 45.20 2pa3 s LEU 234 CO 0.41 0.17 -0.21 -0.22 0.23 0.00 0.00 176.35 176.73 2pa3 s LEU 235 N -1.15 2.24 -0.04 1.79 2.96 -1.14 -1.43 118.68 121.91 2pa3 s LEU 235 Ca 0.08 -0.53 0.06 0.00 -0.22 0.00 0.00 54.13 53.52 2pa3 s LEU 235 Cb -0.09 -1.47 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 2pa3 s LEU 235 CO 0.02 0.13 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.33 2pa3 s ILE 236 N 0.55 1.76 -0.23 6.68 1.01 0.12 -1.88 121.20 129.21 2pa3 s ILE 236 Ca -0.12 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 59.58 2pa3 s ILE 236 Cb -0.17 -1.49 0.08 0.00 0.01 0.00 0.00 42.46 40.89 2pa3 s ILE 236 CO 0.04 0.50 0.07 0.21 0.00 0.00 0.00 174.94 175.76 2pa3 s ASN 237 N -0.20 3.18 -0.17 3.58 3.04 0.48 -1.91 114.94 122.93 2pa3 s ASN 237 Ca -0.00 -1.05 0.14 0.00 0.04 0.00 0.00 52.86 51.99 2pa3 s ASN 237 Cb -0.11 -0.56 0.37 0.00 -1.54 0.00 0.00 41.25 39.40 2pa3 s ASN 237 CO 0.02 -0.36 1.19 0.00 -3.04 0.00 0.00 177.10 174.91 2pa3 n ALA 238 N 5.07 3.12 -1.41 1.71 0.00 -1.26 -1.71 120.51 126.04 2pa3 n ALA 238 Ca -0.07 -2.98 0.00 0.00 0.00 0.00 0.00 53.44 50.39 2pa3 n ALA 238 Cb 0.45 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.52 2pa3 n ALA 238 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2pa3 n SER 239 N -1.10 0.00 -4.10 0.00 3.41 -1.22 -4.95 113.62 105.66 2pa3 n SER 239 Ca 0.17 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.58 2pa3 n SER 239 Cb 0.70 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.51 2pa3 n SER 239 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2pa3 s ARG 240 N 0.00 0.95 0.00 4.33 1.81 -1.26 -4.96 118.95 119.82 2pa3 s ARG 240 Ca 0.00 -0.57 0.04 0.00 -1.72 0.00 0.00 55.73 53.48 2pa3 s ARG 240 Cb 0.00 -0.93 0.24 0.00 -0.45 0.00 0.00 34.95 33.80 2pa3 s ARG 240 CO 0.00 0.24 0.64 0.41 -0.68 0.00 0.00 175.30 175.92 2pa3 n GLY 241 N 2.39 -0.15 0.34 -3.53 0.00 -1.26 -2.67 105.19 100.30 2pa3 n GLY 241 Ca -0.16 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 45.87 2pa3 n GLY 241 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pa3 n THR 242 N -0.90 0.35 0.75 2.61 -2.24 -1.26 -1.65 114.28 111.94 2pa3 n THR 242 Ca 0.03 -0.68 0.12 0.00 -2.27 0.00 0.00 64.05 61.25 2pa3 n THR 242 Cb 0.01 0.92 0.11 0.00 -2.10 0.00 0.00 70.33 69.28 2pa3 n THR 242 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2pa3 n VAL 243 N 0.32 0.13 -4.53 2.28 0.31 -1.09 0.05 118.33 115.81 2pa3 n VAL 243 Ca 0.05 -0.15 -0.26 0.00 -0.01 0.00 0.00 64.34 63.98 2pa3 n VAL 243 Cb 0.25 0.23 -0.17 0.00 -0.91 0.00 0.00 33.84 33.24 2pa3 n VAL 243 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2pa3 s VAL 244 N -3.11 1.22 -0.80 2.52 1.01 -1.26 -1.34 120.40 118.63 2pa3 s VAL 244 Ca 0.07 -0.51 -0.25 0.00 0.00 0.00 0.00 61.98 61.29 2pa3 s VAL 244 Cb 0.15 -1.12 -0.09 0.00 0.00 0.00 0.00 36.38 35.32 2pa3 s VAL 244 CO 0.76 0.38 2.21 -0.62 0.00 0.00 0.00 175.10 177.82 2pa3 s ASP 245 N 0.80 4.47 0.18 3.32 -1.08 -0.02 -4.83 116.67 119.51 2pa3 s ASP 245 Ca -0.12 -0.14 -0.15 0.00 -0.52 0.00 0.00 52.55 51.62 2pa3 s ASP 245 Cb -0.15 -2.55 0.16 0.00 -1.46 0.00 0.00 42.92 38.91 2pa3 s ASP 245 CO 0.02 -3.31 1.66 0.40 0.52 0.00 0.00 175.17 174.46 2pa3 h ILE 246 N 7.49 0.54 -0.28 4.11 1.08 -1.96 -0.26 117.51 128.23 2pa3 h ILE 246 Ca 0.01 -0.01 -0.03 0.00 -0.39 0.00 0.00 64.86 64.44 2pa3 h ILE 246 Cb 1.03 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 35.28 2pa3 h ILE 246 CO 1.10 0.01 0.05 -0.65 -0.69 0.00 0.00 178.15 177.97 2pa3 h PRO 247 N 0.03 0.40 -0.33 2.37 0.11 -1.99 0.13 132.00 132.72 2pa3 h PRO 247 Ca 0.24 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 2pa3 h PRO 247 Cb 0.36 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 2pa3 h PRO 247 CO -0.47 0.39 0.18 0.00 -0.21 0.00 0.00 178.00 177.89 2pa3 h ALA 248 N 1.67 0.43 -0.02 -0.75 0.00 -1.54 -1.62 119.26 117.42 2pa3 h ALA 248 Ca 0.09 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2pa3 h ALA 248 Cb 0.19 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2pa3 h ALA 248 CO -0.00 -0.04 -0.22 1.25 0.00 0.00 0.00 179.25 180.24 2pa3 h LEU 249 N 0.41 -0.64 -0.89 0.00 5.85 -0.61 -0.14 115.31 119.30 2pa3 h LEU 249 Ca 0.12 0.09 0.20 0.00 0.84 0.00 0.00 57.88 59.13 2pa3 h LEU 249 Cb 0.07 0.27 -0.12 0.00 0.37 0.00 0.00 40.66 41.25 2pa3 h LEU 249 CO -0.02 -0.28 0.41 0.00 -0.34 0.00 0.00 178.44 178.21 2pa3 h ALA 250 N 0.56 1.41 -0.11 1.25 0.00 -0.58 -0.19 119.26 121.61 2pa3 h ALA 250 Ca 0.07 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2pa3 h ALA 250 Cb 0.42 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2pa3 h ALA 250 CO -0.21 -0.28 0.04 -0.44 0.00 0.00 0.00 179.25 178.36 2pa3 h ASP 251 N 0.46 0.15 0.32 0.00 3.32 -0.20 -1.78 116.42 118.70 2pa3 h ASP 251 Ca 0.54 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.37 2pa3 h ASP 251 Cb 0.97 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 2pa3 h ASP 251 CO -0.49 0.28 -0.26 0.00 -1.72 0.00 0.00 179.24 177.06 2pa3 h ALA 252 N 0.88 1.46 -0.14 3.45 0.00 0.26 -0.27 119.26 124.89 2pa3 h ALA 252 Ca 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2pa3 h ALA 252 Cb 0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2pa3 h ALA 252 CO -0.00 0.32 -0.03 -0.07 0.00 0.00 0.00 179.25 179.47 2pa3 h LEU 253 N 0.00 0.27 -2.16 0.00 4.07 -0.97 -1.12 115.31 115.40 2pa3 h LEU 253 Ca -0.00 -0.36 -0.01 0.00 0.08 0.00 0.00 57.88 57.59 2pa3 h LEU 253 Cb 0.49 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.15 2pa3 h LEU 253 CO 0.03 0.57 -0.06 0.00 -1.08 0.00 0.00 178.44 177.90 2pa3 h ALA 254 N 0.71 1.50 -0.28 1.53 0.00 -0.77 -2.25 119.26 119.70 2pa3 h ALA 254 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2pa3 h ALA 254 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2pa3 h ALA 254 CO 0.01 0.08 0.00 -1.13 0.00 0.00 0.00 179.25 178.21 2pa3 n SER 255 N -3.88 2.60 -2.43 0.00 3.41 -0.16 -4.94 113.62 108.22 2pa3 n SER 255 Ca -0.03 -1.87 -0.12 0.00 -0.26 0.00 0.00 58.87 56.60 2pa3 n SER 255 Cb 0.15 -0.18 -0.01 0.00 -0.26 0.00 0.00 64.21 63.91 2pa3 n SER 255 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2pa3 n LYS 256 N 0.94 -2.26 0.08 4.33 4.76 -0.85 -4.86 118.16 120.31 2pa3 n LYS 256 Ca 0.18 0.56 -0.07 0.00 -2.87 0.00 0.00 58.31 56.11 2pa3 n LYS 256 Cb 0.47 -5.15 0.04 0.00 -1.84 0.00 0.00 35.03 28.55 2pa3 n LYS 256 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2pa3 h HIS 257 N 0.00 0.29 -3.39 2.13 2.76 -1.47 -3.41 115.15 112.07 2pa3 h HIS 257 Ca -0.28 -0.14 -0.67 0.00 -2.20 0.00 0.00 60.37 57.09 2pa3 h HIS 257 Cb 1.20 -0.04 -0.14 0.00 1.55 0.00 0.00 27.41 29.98 2pa3 h HIS 257 CO 0.71 0.90 -0.65 -0.51 -1.30 0.00 0.00 177.93 177.07 2pa3 s LEU 258 N -7.61 3.47 0.05 0.26 1.43 -1.11 -0.75 118.68 114.42 2pa3 s LEU 258 Ca -0.03 -0.02 0.24 0.00 -1.03 0.00 0.00 54.13 53.29 2pa3 s LEU 258 Cb 0.11 -1.99 0.28 0.00 0.03 0.00 0.00 46.19 44.62 2pa3 s LEU 258 CO 0.82 0.28 1.24 0.00 0.23 0.00 0.00 176.35 178.92 2pa3 n ALA 259 N 1.43 3.36 0.00 4.21 0.00 0.06 -4.61 120.51 124.96 2pa3 n ALA 259 Ca -0.15 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 52.95 2pa3 n ALA 259 Cb 0.53 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.90 2pa3 n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pa3 n GLY 260 N 1.41 -1.57 3.64 0.00 0.00 -1.25 -4.92 105.19 102.51 2pa3 n GLY 260 Ca 0.04 -1.06 -0.07 0.00 0.00 0.00 0.00 46.02 44.92 2pa3 n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pa3 s ALA 261 N -1.70 -1.58 -0.01 4.61 0.00 -1.03 -2.90 121.76 119.16 2pa3 s ALA 261 Ca 0.00 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.29 2pa3 s ALA 261 Cb 0.00 0.69 0.01 0.00 0.00 0.00 0.00 23.12 23.82 2pa3 s ALA 261 CO 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 175.76 174.85 2pa3 s ALA 262 N -3.50 0.22 -0.05 0.00 0.00 -0.79 0.60 121.76 118.25 2pa3 s ALA 262 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.02 2pa3 s ALA 262 Cb -0.02 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.00 2pa3 s ALA 262 CO -0.03 0.01 -0.03 0.42 0.00 0.00 0.00 175.76 176.14 2pa3 s ILE 263 N 0.26 0.44 -0.35 0.00 -1.09 -0.26 -0.39 121.20 119.80 2pa3 s ILE 263 Ca -0.02 -0.03 0.10 0.00 -2.23 0.00 0.00 60.65 58.47 2pa3 s ILE 263 Cb -0.05 -0.51 -0.12 0.00 -1.58 0.00 0.00 42.46 40.21 2pa3 s ILE 263 CO -0.01 0.22 0.37 -0.67 -1.23 0.00 0.00 174.94 173.62 2pa3 n ASP 264 N 4.33 1.03 -4.01 3.58 2.03 -0.69 -1.49 116.55 121.32 2pa3 n ASP 264 Ca -0.21 -0.55 -0.13 0.00 0.52 0.00 0.00 54.79 54.42 2pa3 n ASP 264 Cb 0.51 1.12 -0.12 0.00 -0.72 0.00 0.00 41.12 41.90 2pa3 n ASP 264 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2pa3 s VAL 265 N -2.13 0.41 0.10 5.18 -7.23 -1.26 0.51 120.40 115.98 2pa3 s VAL 265 Ca 0.02 -0.77 0.00 0.00 -1.81 0.00 0.00 61.98 59.42 2pa3 s VAL 265 Cb 0.07 -0.45 -0.04 0.00 0.56 0.00 0.00 36.38 36.52 2pa3 s VAL 265 CO 0.41 -0.25 -0.02 -0.36 -0.31 0.00 0.00 175.10 174.57 2pa3 s PHE 266 N -0.99 0.80 0.29 2.82 0.40 -1.26 -4.51 117.98 115.53 2pa3 s PHE 266 Ca -0.07 -1.04 -0.00 0.00 -0.60 0.00 0.00 56.93 55.21 2pa3 s PHE 266 Cb -0.07 -0.49 0.49 0.00 0.51 0.00 0.00 43.02 43.45 2pa3 s PHE 266 CO 0.00 -0.31 1.89 -1.35 0.70 0.00 0.00 175.22 176.16 2pa3 h PRO 267 N 2.97 1.05 -3.97 0.24 0.11 -1.71 -3.39 132.00 127.31 2pa3 h PRO 267 Ca -0.35 -0.06 -0.36 0.00 0.11 0.00 0.00 66.00 65.33 2pa3 h PRO 267 Cb 1.17 -0.24 -0.33 0.00 0.11 0.00 0.00 31.00 31.71 2pa3 h PRO 267 CO 0.64 0.70 -0.76 0.95 -0.21 0.00 0.00 178.00 179.32 2pa3 s THR 268 N -5.96 0.37 -0.04 -1.15 -4.23 -1.26 -4.95 115.64 98.42 2pa3 s THR 268 Ca -0.12 -0.07 0.06 0.00 -1.18 0.00 0.00 61.69 60.39 2pa3 s THR 268 Cb 0.20 -0.40 -0.02 0.00 1.34 0.00 0.00 72.50 73.62 2pa3 s THR 268 CO 0.81 0.17 -0.22 -1.61 -0.54 0.00 0.00 174.62 173.23 2pa3 s GLU 269 N 0.72 2.31 0.07 3.99 2.02 -1.26 -4.98 118.70 121.56 2pa3 s GLU 269 Ca -0.08 -0.85 -0.31 0.00 0.02 0.00 0.00 54.97 53.74 2pa3 s GLU 269 Cb -0.12 -2.17 -0.17 0.00 0.10 0.00 0.00 34.13 31.78 2pa3 s GLU 269 CO -0.01 0.55 0.76 -2.30 0.02 0.00 0.00 175.26 174.29 2pa3 n PRO 270 N 2.47 0.00 0.17 0.39 -0.02 -1.26 -4.85 135.00 131.90 2pa3 n PRO 270 Ca -0.17 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.45 2pa3 n PRO 270 Cb 0.52 -1.16 0.50 0.00 -0.02 0.00 0.00 33.50 33.33 2pa3 n PRO 270 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pa3 h ALA 271 N 1.97 1.00 -2.26 3.55 0.00 -1.94 -3.47 119.26 118.12 2pa3 h ALA 271 Ca -0.37 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 2pa3 h ALA 271 Cb 1.28 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.90 2pa3 h ALA 271 CO 0.55 0.00 0.20 -0.08 0.00 0.00 0.00 179.25 179.92 2pa3 s THR 272 N -3.36 0.00 -2.00 0.00 -1.32 -1.26 -5.01 115.64 102.69 2pa3 s THR 272 Ca 0.05 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 2pa3 s THR 272 Cb 0.09 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.09 2pa3 s THR 272 CO 0.49 0.00 0.40 0.59 -2.21 0.00 0.00 174.62 173.89 2pa3 n ASN 273 N 0.57 0.00 0.00 8.08 4.13 -1.26 -1.30 115.26 125.48 2pa3 n ASN 273 Ca -0.18 -0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.07 2pa3 n ASN 273 Cb 0.59 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.83 2pa3 n ASN 273 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2pa3 n SER 274 N -0.89 0.50 -4.84 6.41 2.88 -1.26 -4.98 113.62 111.45 2pa3 n SER 274 Ca 0.00 -0.76 -0.33 0.00 -1.33 0.00 0.00 58.87 56.45 2pa3 n SER 274 Cb 0.00 0.37 -0.06 0.00 -0.75 0.00 0.00 64.21 63.76 2pa3 n SER 274 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2pa3 s ASP 275 N -0.37 6.84 0.49 -3.46 1.01 -0.42 -5.07 116.67 115.70 2pa3 s ASP 275 Ca 0.00 1.38 -0.20 0.00 0.71 0.00 0.00 52.55 54.44 2pa3 s ASP 275 Cb 0.00 -2.41 -0.08 0.00 1.01 0.00 0.00 42.92 41.44 2pa3 s ASP 275 CO 0.00 -0.21 1.05 -2.16 0.21 0.00 0.00 175.17 174.06 2pa3 s PRO 276 N -2.90 3.75 -0.09 8.23 0.04 -1.26 -4.92 135.00 137.84 2pa3 s PRO 276 Ca 0.54 1.39 -0.02 0.00 0.04 0.00 0.00 61.00 62.96 2pa3 s PRO 276 Cb -0.11 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 2pa3 s PRO 276 CO 0.17 -0.48 -0.01 0.12 0.04 0.00 0.00 177.00 176.85 2pa3 s PHE 277 N -1.95 3.13 -0.06 0.56 5.36 -1.26 -4.68 117.98 119.08 2pa3 s PHE 277 Ca 0.68 0.13 0.00 0.00 -0.96 0.00 0.00 56.93 56.78 2pa3 s PHE 277 Cb -0.17 -1.81 0.02 0.00 -0.34 0.00 0.00 43.02 40.72 2pa3 s PHE 277 CO 0.21 0.40 -0.03 0.99 -1.46 0.00 0.00 175.22 175.32 2pa3 s THR 278 N -0.71 0.54 -0.12 0.12 2.01 -1.26 -5.14 115.64 111.09 2pa3 s THR 278 Ca 0.11 -0.06 -0.23 0.00 0.31 0.00 0.00 61.69 61.82 2pa3 s THR 278 Cb -0.12 -0.61 0.06 0.00 0.01 0.00 0.00 72.50 71.84 2pa3 s THR 278 CO 0.02 0.26 0.57 -0.55 -0.69 0.00 0.00 174.62 174.23 2pa3 s SER 279 N 1.38 -0.55 0.41 3.53 0.15 -1.26 -4.99 113.70 112.37 2pa3 s SER 279 Ca -0.04 0.79 0.19 0.00 0.70 0.00 0.00 55.95 57.60 2pa3 s SER 279 Cb -0.13 0.78 1.13 0.00 -1.71 0.00 0.00 66.02 66.08 2pa3 s SER 279 CO -0.03 -0.41 1.79 -0.65 1.20 0.00 0.00 173.24 175.15 2pa3 h PRO 280 N 4.09 0.36 0.00 5.44 0.11 -2.01 -1.38 132.00 138.61 2pa3 h PRO 280 Ca -0.28 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.79 2pa3 h PRO 280 Cb 1.16 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2pa3 h PRO 280 CO 0.28 0.24 -0.10 -0.07 -0.21 0.00 0.00 178.00 178.15 2pa3 h LEU 281 N 0.37 0.00 -0.72 2.35 -0.00 -1.94 -3.10 115.31 112.27 2pa3 h LEU 281 Ca 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.44 2pa3 h LEU 281 Cb 1.48 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.14 2pa3 h LEU 281 CO -0.25 0.10 0.15 0.00 -0.00 0.00 0.00 178.44 178.44 2pa3 n ALA 282 N -2.20 0.79 0.66 1.53 0.00 -0.52 -0.58 120.51 120.18 2pa3 n ALA 282 Ca -0.01 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.65 2pa3 n ALA 282 Cb 0.27 -0.93 0.17 0.00 0.00 0.00 0.00 19.45 18.96 2pa3 n ALA 282 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2pa3 n GLU 283 N -1.88 0.23 -3.41 0.00 2.13 -1.17 -4.76 120.64 111.79 2pa3 n GLU 283 Ca -0.01 0.06 -0.41 0.00 0.66 0.00 0.00 57.16 57.46 2pa3 n GLU 283 Cb 0.17 -1.64 -0.09 0.00 0.27 0.00 0.00 31.44 30.15 2pa3 n GLU 283 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2pa3 s PHE 284 N -3.14 3.21 0.43 4.31 0.40 0.25 -4.95 117.98 118.49 2pa3 s PHE 284 Ca 0.07 -0.01 0.13 0.00 -0.60 0.00 0.00 56.93 56.51 2pa3 s PHE 284 Cb 0.14 -2.66 0.94 0.00 0.51 0.00 0.00 43.02 41.96 2pa3 s PHE 284 CO 0.72 -0.42 1.97 -0.44 0.70 0.00 0.00 175.22 177.76 2pa3 h ASP 285 N 8.45 0.06 0.00 1.36 3.32 -1.86 -2.74 116.42 125.02 2pa3 h ASP 285 Ca -0.30 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2pa3 h ASP 285 Cb 1.15 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2pa3 h ASP 285 CO 0.69 0.24 0.00 -0.46 -1.72 0.00 0.00 179.24 177.98 2pa3 n ASN 286 N -4.31 1.29 -4.20 6.45 6.94 -1.26 -2.70 115.26 117.47 2pa3 n ASN 286 Ca -0.02 -1.96 -0.27 0.00 -0.02 0.00 0.00 54.58 52.31 2pa3 n ASN 286 Cb 0.25 -0.49 -0.16 0.00 -2.36 0.00 0.00 39.78 37.02 2pa3 n ASN 286 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2pa3 s VAL 287 N -0.84 1.63 -0.16 3.53 1.01 -1.04 -2.45 120.40 122.08 2pa3 s VAL 287 Ca 0.00 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 61.04 2pa3 s VAL 287 Cb 0.00 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 2pa3 s VAL 287 CO 0.00 0.46 0.10 -0.76 0.00 0.00 0.00 175.10 174.90 2pa3 s LEU 288 N -0.31 4.08 -0.14 3.92 1.43 0.20 -4.95 118.68 122.91 2pa3 s LEU 288 Ca 0.04 0.24 -0.00 0.00 -1.03 0.00 0.00 54.13 53.37 2pa3 s LEU 288 Cb -0.10 -2.02 0.03 0.00 0.03 0.00 0.00 46.19 44.13 2pa3 s LEU 288 CO 0.00 0.25 -0.09 -0.76 0.23 0.00 0.00 176.35 175.99 2pa3 s LEU 289 N -0.09 1.47 0.00 1.79 1.02 -1.26 -1.11 118.68 120.50 2pa3 s LEU 289 Ca 0.09 -0.46 0.05 0.00 0.02 0.00 0.00 54.13 53.82 2pa3 s LEU 289 Cb -0.12 -0.97 -0.01 0.00 0.02 0.00 0.00 46.19 45.11 2pa3 s LEU 289 CO 0.00 -0.12 -0.14 0.42 0.02 0.00 0.00 176.35 176.54 2pa3 s THR 290 N 1.62 1.12 -1.40 5.49 -4.23 -0.55 -5.01 115.64 112.67 2pa3 s THR 290 Ca 0.04 -0.70 -0.12 0.00 -1.18 0.00 0.00 61.69 59.73 2pa3 s THR 290 Cb -0.13 -0.95 0.08 0.00 1.34 0.00 0.00 72.50 72.83 2pa3 s THR 290 CO -0.09 0.25 2.13 -0.81 -0.54 0.00 0.00 174.62 175.56 2pa3 n PRO 291 N 2.54 3.13 -3.75 3.99 -0.04 -1.26 -4.17 135.00 135.44 2pa3 n PRO 291 Ca -0.15 -2.90 -0.31 0.00 -0.04 0.00 0.00 63.50 60.10 2pa3 n PRO 291 Cb 0.55 -3.16 0.03 0.00 -0.04 0.00 0.00 33.50 30.88 2pa3 n PRO 291 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2pa3 n HIS 292 N 5.29 -1.90 -0.11 0.54 -0.00 0.18 -4.91 115.22 114.31 2pa3 n HIS 292 Ca 0.49 0.49 0.00 0.00 -0.00 0.00 0.00 57.72 58.70 2pa3 n HIS 292 Cb 0.38 -3.19 0.00 0.00 -0.00 0.00 0.00 29.99 27.17 2pa3 n HIS 292 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.34 176.78 2pa3 n ILE 293 N -3.87 0.00 -0.14 3.57 -5.35 -1.26 -4.75 119.36 107.55 2pa3 n ILE 293 Ca -0.13 -0.43 -0.03 0.00 -0.27 0.00 0.00 62.75 61.89 2pa3 n ILE 293 Cb 0.60 1.11 -0.02 0.00 -1.74 0.00 0.00 39.64 39.58 2pa3 n ILE 293 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pa3 n GLY 294 N 0.22 -0.85 1.96 3.28 0.00 -1.26 0.81 105.19 109.35 2pa3 n GLY 294 Ca 0.00 0.41 -0.01 0.00 0.00 0.00 0.00 46.02 46.42 2pa3 n GLY 294 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pa3 n GLY 295 N -1.11 3.34 3.27 -0.02 0.00 -1.26 -2.87 105.19 106.54 2pa3 n GLY 295 Ca 0.02 -0.95 -0.44 0.00 0.00 0.00 0.00 46.02 44.65 2pa3 n GLY 295 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pa3 s SER 296 N -0.89 6.58 0.18 1.61 0.01 0.24 -4.80 113.70 116.63 2pa3 s SER 296 Ca 0.54 -3.05 -0.01 0.00 1.31 0.00 0.00 55.95 54.75 2pa3 s SER 296 Cb 0.43 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 64.49 2pa3 s SER 296 CO 0.14 -0.43 0.09 0.42 0.41 0.00 0.00 173.24 173.87 2pa3 s THR 297 N -0.38 0.15 0.23 1.44 -4.23 -1.26 -5.02 115.64 106.57 2pa3 s THR 297 Ca 0.22 -1.96 -0.07 0.00 -1.18 0.00 0.00 61.69 58.69 2pa3 s THR 297 Cb -0.11 -2.31 0.21 0.00 1.34 0.00 0.00 72.50 71.63 2pa3 s THR 297 CO -0.08 -0.22 1.87 1.56 -0.54 0.00 0.00 174.62 177.21 2pa3 h GLN 298 N 2.70 1.24 -0.44 3.99 4.20 -1.99 -1.51 115.11 123.29 2pa3 h GLN 298 Ca -0.36 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.23 2pa3 h GLN 298 Cb 1.23 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 2pa3 h GLN 298 CO 0.57 0.88 0.29 0.93 -0.67 0.00 0.00 178.83 180.83 2pa3 h GLU 299 N 1.26 0.58 -0.82 1.46 3.07 -1.98 -1.12 114.58 117.03 2pa3 h GLU 299 Ca 0.32 -0.04 0.05 0.00 -0.50 0.00 0.00 59.36 59.20 2pa3 h GLU 299 Cb -0.03 -0.13 -0.06 0.00 -0.84 0.00 0.00 28.75 27.69 2pa3 h GLU 299 CO -0.06 0.39 0.51 0.00 -1.40 0.00 0.00 179.01 178.45 2pa3 h ALA 300 N 1.16 1.11 -0.58 3.43 0.00 -1.73 -0.86 119.26 121.79 2pa3 h ALA 300 Ca 0.16 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2pa3 h ALA 300 Cb -0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 2pa3 h ALA 300 CO -0.04 0.28 0.11 1.96 0.00 0.00 0.00 179.25 181.56 2pa3 h GLN 301 N 0.96 0.92 -0.63 0.00 1.08 -0.71 -1.40 115.11 115.33 2pa3 h GLN 301 Ca 0.35 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 2pa3 h GLN 301 Cb 0.11 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.38 2pa3 h GLN 301 CO -0.15 0.84 0.39 0.93 -0.95 0.00 0.00 178.83 179.90 2pa3 h GLU 302 N 0.87 0.84 -0.05 1.46 5.08 -0.40 -1.19 114.58 121.19 2pa3 h GLU 302 Ca 0.18 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2pa3 h GLU 302 Cb 0.37 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2pa3 h GLU 302 CO 0.01 0.58 0.03 -0.91 -1.00 0.00 0.00 179.01 177.71 2pa3 h ASN 303 N 0.85 0.06 -0.98 1.42 2.35 -0.79 -1.88 115.58 116.61 2pa3 h ASN 303 Ca 0.23 -0.08 0.05 0.00 -0.55 0.00 0.00 56.30 55.95 2pa3 h ASN 303 Cb -0.06 -0.02 -0.06 0.00 0.05 0.00 0.00 38.32 38.23 2pa3 h ASN 303 CO -0.05 0.12 0.63 0.40 -1.65 0.00 0.00 177.43 176.89 2pa3 h ILE 304 N -0.00 1.11 -0.31 2.81 2.04 -1.12 0.47 117.51 122.51 2pa3 h ILE 304 Ca 0.02 -0.40 -0.14 0.00 1.00 0.00 0.00 64.86 65.33 2pa3 h ILE 304 Cb 0.07 -0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 35.98 2pa3 h ILE 304 CO -0.00 0.21 -0.35 1.23 0.00 0.00 0.00 178.15 179.24 2pa3 h GLY 305 N 1.18 0.85 0.89 5.37 0.00 -0.95 -2.24 103.07 108.17 2pa3 h GLY 305 Ca 0.41 -0.90 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 2pa3 h GLY 305 CO -0.16 0.81 -0.23 1.41 0.00 0.00 0.00 176.54 178.37 2pa3 h LEU 306 N 0.54 -0.55 0.09 3.11 4.07 -0.83 -2.39 115.31 119.35 2pa3 h LEU 306 Ca 0.04 -0.03 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 2pa3 h LEU 306 Cb 0.94 0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.81 2pa3 h LEU 306 CO 0.08 -0.31 -0.15 -0.33 -1.08 0.00 0.00 178.44 176.65 2pa3 h GLU 307 N -0.77 -0.25 -0.79 1.13 5.08 -0.88 -0.60 114.58 117.50 2pa3 h GLU 307 Ca -0.07 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2pa3 h GLU 307 Cb 0.55 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 2pa3 h GLU 307 CO 0.11 -0.16 0.49 0.28 -1.00 0.00 0.00 179.01 178.72 2pa3 h VAL 308 N -0.26 1.21 -0.29 3.13 2.07 -1.53 0.95 116.25 121.53 2pa3 h VAL 308 Ca -0.01 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 2pa3 h VAL 308 Cb 0.24 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 2pa3 h VAL 308 CO -0.05 0.22 0.15 0.00 0.02 0.00 0.00 177.57 177.90 2pa3 h ALA 309 N 1.46 0.38 -0.50 1.67 0.00 -1.33 -2.04 119.26 118.90 2pa3 h ALA 309 Ca 0.29 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.20 2pa3 h ALA 309 Cb -0.07 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.52 2pa3 h ALA 309 CO -0.06 -0.07 -0.01 0.78 0.00 0.00 0.00 179.25 179.90 2pa3 h GLY 310 N 0.34 0.50 0.73 0.00 0.00 0.74 0.11 103.07 105.49 2pa3 h GLY 310 Ca 0.10 0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.54 2pa3 h GLY 310 CO -0.01 -0.14 0.17 0.50 0.00 0.00 0.00 176.54 177.06 2pa3 h LYS 311 N 0.11 0.34 -0.12 4.80 1.57 -0.61 0.40 116.57 123.06 2pa3 h LYS 311 Ca 0.25 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.03 2pa3 h LYS 311 Cb 0.38 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2pa3 h LYS 311 CO -0.42 0.23 -0.02 -0.07 -0.57 0.00 0.00 179.45 178.59 2pa3 h LEU 312 N 0.35 -0.09 -0.08 2.94 4.07 -0.75 0.90 115.31 122.66 2pa3 h LEU 312 Ca 0.17 0.03 0.04 0.00 0.08 0.00 0.00 57.88 58.21 2pa3 h LEU 312 Cb 0.12 0.07 -0.05 0.00 1.08 0.00 0.00 40.66 41.87 2pa3 h LEU 312 CO -0.15 -0.03 -0.25 0.40 -1.08 0.00 0.00 178.44 177.33 2pa3 h ILE 313 N 0.01 0.41 -0.08 1.22 2.04 0.01 -0.40 117.51 120.73 2pa3 h ILE 313 Ca 0.06 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.96 2pa3 h ILE 313 Cb 0.08 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 2pa3 h ILE 313 CO -0.11 0.00 -0.28 0.11 0.00 0.00 0.00 178.15 177.87 2pa3 h LYS 314 N -0.35 -0.37 -0.47 2.37 1.57 -0.03 0.50 116.57 119.79 2pa3 h LYS 314 Ca 0.08 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.98 2pa3 h LYS 314 Cb 0.47 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 2pa3 h LYS 314 CO -0.27 -0.25 0.32 -0.92 -0.57 0.00 0.00 179.45 177.76 2pa3 h TYR 315 N -0.38 0.27 0.17 -1.35 3.20 -0.56 0.42 116.97 118.74 2pa3 h TYR 315 Ca 0.08 0.01 -0.30 0.00 3.14 0.00 0.00 58.73 61.66 2pa3 h TYR 315 Cb 0.51 -0.09 0.03 0.00 1.54 0.00 0.00 36.73 38.72 2pa3 h TYR 315 CO -0.35 0.14 -1.29 1.03 -1.64 0.00 0.00 178.16 176.05 2pa3 h SER 316 N 0.26 0.84 0.40 -2.11 0.87 -0.13 -2.34 113.55 111.34 2pa3 h SER 316 Ca 0.22 -0.87 -0.26 0.00 -1.23 0.00 0.00 61.79 59.65 2pa3 h SER 316 Cb 0.51 -0.27 0.01 0.00 -0.44 0.00 0.00 62.40 62.21 2pa3 h SER 316 CO -0.04 1.63 -1.11 0.44 -0.53 0.00 0.00 176.83 177.21 2pa3 h ASP 317 N 0.17 0.56 0.00 6.23 3.32 0.13 -3.41 116.42 123.42 2pa3 h ASP 317 Ca -0.21 -0.52 0.00 0.00 0.02 0.00 0.00 57.03 56.32 2pa3 h ASP 317 Cb 1.98 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 41.35 2pa3 h ASP 317 CO 0.24 1.35 0.00 -0.46 -1.72 0.00 0.00 179.24 178.65 2pa3 n ASN 318 N -3.68 0.00 0.00 6.45 2.04 0.13 -4.89 115.26 115.31 2pa3 n ASN 318 Ca -0.09 -1.00 0.00 0.00 -0.44 0.00 0.00 54.58 53.05 2pa3 n ASN 318 Cb 0.93 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 38.18 2pa3 n ASN 318 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2pa3 n GLY 319 N 0.00 0.75 3.73 4.83 0.00 -0.88 -4.81 105.19 108.81 2pa3 n GLY 319 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2pa3 n GLY 319 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pa3 s SER 320 N -2.48 6.57 -0.17 1.61 0.15 -1.26 -4.83 113.70 113.29 2pa3 s SER 320 Ca 0.00 2.69 0.17 0.00 0.70 0.00 0.00 55.95 59.50 2pa3 s SER 320 Cb 0.00 -2.61 0.40 0.00 -1.71 0.00 0.00 66.02 62.10 2pa3 s SER 320 CO 0.00 -0.80 1.28 0.35 1.20 0.00 0.00 173.24 175.26 2pa3 n THR 321 N 3.22 2.12 -1.67 6.45 -2.24 0.04 -4.08 114.28 118.12 2pa3 n THR 321 Ca 0.11 -2.28 -0.48 0.00 -2.27 0.00 0.00 64.05 59.12 2pa3 n THR 321 Cb 0.39 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.32 2pa3 n THR 321 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2pa3 n LEU 322 N -1.07 3.00 0.00 3.22 7.94 -1.25 -1.70 117.00 127.14 2pa3 n LEU 322 Ca 0.20 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 56.14 2pa3 n LEU 322 Cb 0.77 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 43.36 2pa3 n LEU 322 CO 0.07 -0.30 0.00 -1.54 -1.11 0.00 0.00 177.39 174.51 2pa3 n SER 323 N 4.66 0.00 -4.57 1.96 3.41 -1.26 -5.01 113.62 112.82 2pa3 n SER 323 Ca 0.20 0.00 -0.47 0.00 -0.26 0.00 0.00 58.87 58.34 2pa3 n SER 323 Cb 0.27 -0.55 -0.03 0.00 -0.26 0.00 0.00 64.21 63.64 2pa3 n SER 323 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pa3 n ALA 324 N 0.89 -0.71 1.12 7.33 0.00 -0.69 -4.74 120.51 123.72 2pa3 n ALA 324 Ca 0.00 0.43 0.12 0.00 0.00 0.00 0.00 53.44 53.99 2pa3 n ALA 324 Cb 0.00 -1.98 0.21 0.00 0.00 0.00 0.00 19.45 17.67 2pa3 n ALA 324 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2pa3 n VAL 325 N 0.73 0.00 -0.43 0.00 0.24 -0.13 -4.28 118.33 114.45 2pa3 n VAL 325 Ca 0.13 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 2pa3 n VAL 325 Cb 0.28 0.67 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 2pa3 n VAL 325 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2pa3 n ASN 326 N -0.69 0.76 -4.49 -1.34 6.94 -1.26 -5.02 115.26 110.16 2pa3 n ASN 326 Ca 0.10 -1.19 -0.23 0.00 -0.02 0.00 0.00 54.58 53.24 2pa3 n ASN 326 Cb 0.38 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.69 2pa3 n ASN 326 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2pa3 s PHE 327 N -0.19 2.13 0.09 -2.53 5.36 -1.26 -4.78 117.98 116.81 2pa3 s PHE 327 Ca 0.00 -0.75 -0.28 0.00 -0.96 0.00 0.00 56.93 54.94 2pa3 s PHE 327 Cb 0.00 -1.34 -0.06 0.00 -0.34 0.00 0.00 43.02 41.28 2pa3 s PHE 327 CO 0.00 0.27 0.89 -1.25 -1.46 0.00 0.00 175.22 173.66 2pa3 s PRO 328 N -3.76 4.63 -0.12 10.12 0.04 -1.26 -4.86 135.00 139.79 2pa3 s PRO 328 Ca 0.33 1.31 -0.26 0.00 0.04 0.00 0.00 61.00 62.42 2pa3 s PRO 328 Cb 0.07 -3.37 -0.02 0.00 0.04 0.00 0.00 34.50 31.22 2pa3 s PRO 328 CO 0.15 0.26 0.86 -1.21 0.04 0.00 0.00 177.00 177.09 2pa3 s GLU 329 N -0.08 4.38 -0.14 4.56 2.02 -1.26 -4.83 118.70 123.35 2pa3 s GLU 329 Ca 0.43 1.11 -0.14 0.00 0.02 0.00 0.00 54.97 56.40 2pa3 s GLU 329 Cb -0.22 -3.53 0.04 0.00 0.10 0.00 0.00 34.13 30.52 2pa3 s GLU 329 CO 0.27 -0.21 0.39 0.54 0.02 0.00 0.00 175.26 176.27 2pa3 s VAL 330 N 1.71 0.00 -0.11 2.63 0.11 -1.26 -4.79 120.40 118.69 2pa3 s VAL 330 Ca 0.42 -0.01 -0.12 0.00 -2.93 0.00 0.00 61.98 59.34 2pa3 s VAL 330 Cb -0.18 -0.55 0.03 0.00 -1.53 0.00 0.00 36.38 34.16 2pa3 s VAL 330 CO 0.17 -0.01 0.33 -0.55 -3.33 0.00 0.00 175.10 171.71 2pa3 s SER 331 N 0.17 -0.33 -0.04 3.54 0.15 -1.26 -0.78 113.70 115.15 2pa3 s SER 331 Ca -0.00 0.61 -0.01 0.00 0.70 0.00 0.00 55.95 57.24 2pa3 s SER 331 Cb -0.03 0.64 0.03 0.00 -1.71 0.00 0.00 66.02 64.95 2pa3 s SER 331 CO 0.01 -0.15 0.08 -0.76 1.20 0.00 0.00 173.24 173.62 2pa3 s LEU 332 N 0.02 0.75 0.78 3.45 1.43 -1.26 -5.00 118.68 118.86 2pa3 s LEU 332 Ca -0.01 0.15 -0.15 0.00 -1.03 0.00 0.00 54.13 53.09 2pa3 s LEU 332 Cb -0.03 0.08 0.02 0.00 0.03 0.00 0.00 46.19 46.29 2pa3 s LEU 332 CO 0.01 -0.16 0.79 -2.65 0.23 0.00 0.00 176.35 174.57 2pa3 n PRO 333 N 4.43 0.21 -2.63 1.29 -0.01 -1.26 -4.93 135.00 132.10 2pa3 n PRO 333 Ca -0.22 0.13 -0.42 0.00 -0.01 0.00 0.00 63.50 62.97 2pa3 n PRO 333 Cb 0.50 -2.09 -0.03 0.00 -0.01 0.00 0.00 33.50 31.88 2pa3 n PRO 333 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 175.50 175.01 2pa3 s LEU 334 N -2.50 4.26 -0.16 2.45 0.05 -1.26 -5.04 118.68 116.49 2pa3 s LEU 334 Ca 0.68 1.61 -0.13 0.00 0.05 0.00 0.00 54.13 56.34 2pa3 s LEU 334 Cb -0.31 -3.56 0.04 0.00 -2.05 0.00 0.00 46.19 40.32 2pa3 s LEU 334 CO 0.56 -0.47 0.41 -1.38 -0.55 0.00 0.00 176.35 174.91 2pa3 s HIS 335 N 2.01 -0.47 0.00 3.48 -3.43 -1.26 -5.16 115.29 110.46 2pa3 s HIS 335 Ca 0.50 1.12 0.00 0.00 -0.80 0.00 0.00 55.06 55.89 2pa3 s HIS 335 Cb -0.20 0.17 0.00 0.00 -1.43 0.00 0.00 32.58 31.12 2pa3 s HIS 335 CO 0.19 -0.23 0.00 0.28 -2.00 0.00 0.00 174.74 172.98 2pa3 n VAL 336 N 3.06 0.00 0.00 -5.38 0.31 -1.26 -4.84 118.33 110.22 2pa3 n VAL 336 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 2pa3 n VAL 336 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 2pa3 n VAL 336 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pa3 n GLY 337 N 0.00 -0.61 3.24 2.92 0.00 -1.26 -4.72 105.19 104.75 2pa3 n GLY 337 Ca 0.00 -2.03 -0.29 0.00 0.00 0.00 0.00 46.02 43.71 2pa3 n GLY 337 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pa3 s ARG 338 N 0.00 1.92 -0.06 1.61 1.81 0.33 -4.91 118.95 119.65 2pa3 s ARG 338 Ca 0.00 -0.79 -0.02 0.00 -1.72 0.00 0.00 55.73 53.20 2pa3 s ARG 338 Cb 0.00 -1.79 -0.04 0.00 -0.45 0.00 0.00 34.95 32.67 2pa3 s ARG 338 CO 0.00 0.44 0.05 0.50 -0.68 0.00 0.00 175.30 175.61 2pa3 s ARG 339 N -0.40 3.07 0.11 3.54 6.06 -1.26 -1.24 118.95 128.83 2pa3 s ARG 339 Ca 0.05 -0.40 -0.01 0.00 -2.50 0.00 0.00 55.73 52.88 2pa3 s ARG 339 Cb -0.10 -2.87 -0.04 0.00 0.06 0.00 0.00 34.95 32.00 2pa3 s ARG 339 CO 0.00 0.69 0.02 -0.51 -2.50 0.00 0.00 175.30 173.01 2pa3 s LEU 340 N -1.21 2.04 0.11 -0.88 1.02 0.29 -1.70 118.68 118.34 2pa3 s LEU 340 Ca 0.17 -1.14 -0.04 0.00 0.02 0.00 0.00 54.13 53.14 2pa3 s LEU 340 Cb -0.12 0.23 -0.02 0.00 0.02 0.00 0.00 46.19 46.30 2pa3 s LEU 340 CO 0.07 -0.67 0.11 0.00 0.02 0.00 0.00 176.35 175.88 2pa3 s MET 341 N -3.99 0.87 -0.26 1.70 0.23 -0.50 -1.22 119.30 116.13 2pa3 s MET 341 Ca 0.19 -1.22 -0.11 0.00 -1.03 0.00 0.00 55.69 53.52 2pa3 s MET 341 Cb 0.07 0.28 0.10 0.00 -1.53 0.00 0.00 34.83 33.76 2pa3 s MET 341 CO -0.02 -0.26 0.58 -1.58 -2.03 0.00 0.00 175.02 171.71 2pa3 s HIS 342 N -3.96 -1.06 0.09 3.16 5.04 -0.77 -2.42 115.29 115.37 2pa3 s HIS 342 Ca 0.14 1.97 0.06 0.00 -1.54 0.00 0.00 55.06 55.69 2pa3 s HIS 342 Cb 0.06 0.59 -0.04 0.00 0.04 0.00 0.00 32.58 33.23 2pa3 s HIS 342 CO -0.05 -0.55 -0.04 0.42 -2.34 0.00 0.00 174.74 172.18 2pa3 s ILE 343 N 2.35 3.77 0.04 0.89 1.09 0.66 -1.78 121.20 128.21 2pa3 s ILE 343 Ca -0.06 -1.09 -0.28 0.00 -1.10 0.00 0.00 60.65 58.11 2pa3 s ILE 343 Cb -0.10 -2.78 0.10 0.00 -1.06 0.00 0.00 42.46 38.62 2pa3 s ILE 343 CO -0.17 0.12 1.21 -1.38 -0.10 0.00 0.00 174.94 174.62 2pa3 s HIS 344 N -1.27 -0.01 0.29 3.97 -3.43 -0.65 -0.73 115.29 113.46 2pa3 s HIS 344 Ca 0.24 -0.17 -0.10 0.00 -0.80 0.00 0.00 55.06 54.23 2pa3 s HIS 344 Cb -0.11 0.59 -0.07 0.00 -1.43 0.00 0.00 32.58 31.55 2pa3 s HIS 344 CO 0.16 -0.44 0.63 -1.21 -2.00 0.00 0.00 174.74 171.89 2pa3 s GLU 345 N -2.36 3.82 -1.16 -0.38 2.02 -0.66 -1.50 118.70 118.48 2pa3 s GLU 345 Ca 0.20 0.36 -0.19 0.00 0.02 0.00 0.00 54.97 55.36 2pa3 s GLU 345 Cb 0.01 -2.55 0.08 0.00 0.10 0.00 0.00 34.13 31.78 2pa3 s GLU 345 CO -0.01 0.20 1.55 1.21 0.02 0.00 0.00 175.26 178.23 2pa3 s ASN 346 N -2.61 6.74 0.04 -0.19 2.47 0.53 -4.64 114.94 117.27 2pa3 s ASN 346 Ca 0.49 -2.15 0.04 0.00 0.42 0.00 0.00 52.86 51.66 2pa3 s ASN 346 Cb -0.11 -2.54 -0.02 0.00 -1.45 0.00 0.00 41.25 37.14 2pa3 s ASN 346 CO 0.23 -1.22 -0.13 -0.13 -3.72 0.00 0.00 177.10 172.14 2pa3 s ARG 347 N 3.99 0.86 0.27 0.43 0.52 -1.26 -4.93 118.95 118.83 2pa3 s ARG 347 Ca 0.48 -0.73 -0.28 0.00 -0.52 0.00 0.00 55.73 54.68 2pa3 s ARG 347 Cb 0.01 -0.84 -0.14 0.00 0.52 0.00 0.00 34.95 34.49 2pa3 s ARG 347 CO -0.01 0.21 0.96 -2.30 0.02 0.00 0.00 175.30 174.18 2pa3 n PRO 348 N 1.90 1.18 0.00 3.54 -0.02 -1.26 -3.47 135.00 136.87 2pa3 n PRO 348 Ca -0.18 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2pa3 n PRO 348 Cb 0.55 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 2pa3 n PRO 348 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pa3 n GLY 349 N 1.37 2.72 0.07 -1.23 0.00 -1.26 -4.92 105.19 101.94 2pa3 n GLY 349 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 2pa3 n GLY 349 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2pa3 h VAL 350 N 0.00 1.29 -0.51 1.61 2.07 -1.91 -1.84 116.25 116.97 2pa3 h VAL 350 Ca 0.00 -1.08 0.05 0.00 0.82 0.00 0.00 66.70 66.50 2pa3 h VAL 350 Cb 0.00 2.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 2pa3 h VAL 350 CO 0.00 0.27 0.24 0.25 0.02 0.00 0.00 177.57 178.35 2pa3 h LEU 351 N -0.52 0.32 0.31 2.57 5.85 -1.91 0.20 115.31 122.13 2pa3 h LEU 351 Ca -0.00 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2pa3 h LEU 351 Cb 0.48 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2pa3 h LEU 351 CO 0.01 0.22 -0.28 0.74 -0.34 0.00 0.00 178.44 178.79 2pa3 h THR 352 N 0.46 0.41 -0.78 1.05 2.02 -1.97 0.15 112.91 114.25 2pa3 h THR 352 Ca 0.23 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.55 2pa3 h THR 352 Cb 0.18 0.41 -0.14 0.00 -1.74 0.00 0.00 68.15 66.85 2pa3 h THR 352 CO -0.18 0.00 -0.30 0.00 0.37 0.00 0.00 175.52 175.41 2pa3 h ALA 353 N -0.03 0.24 -0.74 6.16 0.00 -0.85 0.84 119.26 124.88 2pa3 h ALA 353 Ca -0.02 0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.19 2pa3 h ALA 353 Cb 0.55 0.78 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 2pa3 h ALA 353 CO -0.04 -0.55 0.45 1.25 0.00 0.00 0.00 179.25 180.36 2pa3 h LEU 354 N -0.06 0.73 -0.13 0.00 6.46 -0.00 -2.74 115.31 119.56 2pa3 h LEU 354 Ca 0.33 0.01 -0.21 0.00 -0.12 0.00 0.00 57.88 57.89 2pa3 h LEU 354 Cb 0.58 -0.14 0.01 0.00 -0.73 0.00 0.00 40.66 40.38 2pa3 h LEU 354 CO -0.82 0.49 -0.73 0.78 -0.62 0.00 0.00 178.44 177.53 2pa3 h ASN 355 N 0.86 0.87 -0.93 1.25 2.35 0.11 -3.19 115.58 116.91 2pa3 h ASN 355 Ca 0.31 -0.64 0.26 0.00 -0.55 0.00 0.00 56.30 55.68 2pa3 h ASN 355 Cb 0.09 -0.26 -0.14 0.00 0.05 0.00 0.00 38.32 38.06 2pa3 h ASN 355 CO -0.14 1.38 0.36 0.50 -1.65 0.00 0.00 177.43 177.87 2pa3 h LYS 356 N 0.43 0.26 -0.07 0.81 3.64 0.81 0.53 116.57 122.99 2pa3 h LYS 356 Ca -0.05 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2pa3 h LYS 356 Cb 1.37 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.13 2pa3 h LYS 356 CO 0.15 0.17 0.41 0.82 -2.27 0.00 0.00 179.45 178.73 2pa3 h ILE 357 N 0.26 0.05 0.00 2.00 1.08 -1.48 -1.83 117.51 117.60 2pa3 h ILE 357 Ca 0.62 0.00 -0.23 0.00 -0.39 0.00 0.00 64.86 64.86 2pa3 h ILE 357 Cb 1.30 0.61 -0.04 0.00 -3.07 0.00 0.00 36.82 35.61 2pa3 h ILE 357 CO -0.63 0.00 -1.87 0.49 -0.69 0.00 0.00 178.15 175.45 2pa3 n PHE 358 N -2.98 0.00 0.40 1.37 3.72 0.18 -4.07 117.46 116.09 2pa3 n PHE 358 Ca -0.00 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.24 2pa3 n PHE 358 Cb 0.47 -0.60 -0.08 0.00 -0.94 0.00 0.00 39.48 38.33 2pa3 n PHE 358 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2pa3 h ALA 359 N 0.32 -1.15 0.00 4.37 0.00 -1.12 1.15 119.26 122.83 2pa3 h ALA 359 Ca -0.34 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2pa3 h ALA 359 Cb 1.65 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.85 2pa3 h ALA 359 CO -0.02 -1.07 0.19 1.05 0.00 0.00 0.00 179.25 179.41 2pa3 h GLU 360 N -1.16 0.00 -0.15 0.00 4.11 -1.58 1.91 114.58 117.71 2pa3 h GLU 360 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.32 2pa3 h GLU 360 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2pa3 h GLU 360 CO 0.17 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.29 2pa3 n GLN 361 N -2.33 2.17 -3.70 1.06 6.02 -1.08 -4.95 117.38 114.57 2pa3 n GLN 361 Ca -0.01 -1.73 -0.22 0.00 -0.01 0.00 0.00 57.00 55.02 2pa3 n GLN 361 Cb 0.23 -1.47 0.03 0.00 1.02 0.00 0.00 30.24 30.05 2pa3 n GLN 361 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pa3 n GLY 362 N 1.33 -0.30 3.52 1.08 0.00 0.65 -5.03 105.19 106.44 2pa3 n GLY 362 Ca 0.17 0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.98 2pa3 n GLY 362 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pa3 s VAL 363 N -3.64 3.77 -0.38 1.61 1.01 0.39 -5.01 120.40 118.16 2pa3 s VAL 363 Ca 0.04 -0.42 -0.27 0.00 0.00 0.00 0.00 61.98 61.33 2pa3 s VAL 363 Cb -0.02 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.77 2pa3 s VAL 363 CO 0.81 0.54 1.01 0.21 0.00 0.00 0.00 175.10 177.67 2pa3 s ASN 364 N -0.09 6.74 -0.49 3.32 2.47 -1.26 -4.25 114.94 121.39 2pa3 s ASN 364 Ca 0.01 0.69 -0.28 0.00 0.42 0.00 0.00 52.86 53.71 2pa3 s ASN 364 Cb -0.13 -2.50 -0.00 0.00 -1.45 0.00 0.00 41.25 37.16 2pa3 s ASN 364 CO 0.03 -0.95 1.62 -0.63 -3.72 0.00 0.00 177.10 173.45 2pa3 s ILE 365 N 3.73 3.62 0.08 -5.21 1.01 -1.26 -1.73 121.20 121.44 2pa3 s ILE 365 Ca 0.42 0.55 -0.17 0.00 0.00 0.00 0.00 60.65 61.45 2pa3 s ILE 365 Cb -0.11 -4.08 -0.09 0.00 0.01 0.00 0.00 42.46 38.19 2pa3 s ILE 365 CO 0.20 -0.85 1.44 0.00 0.00 0.00 0.00 174.94 175.74 2pa3 h ALA 366 N 12.40 0.36 -2.68 9.38 0.00 -1.84 -3.48 119.26 133.41 2pa3 h ALA 366 Ca -0.28 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 2pa3 h ALA 366 Cb 1.13 -0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.71 2pa3 h ALA 366 CO 1.14 0.22 -0.19 0.00 0.00 0.00 0.00 179.25 180.42 2pa3 s ALA 367 N -4.59 -0.59 -0.25 0.00 0.00 -1.21 -4.99 121.76 110.12 2pa3 s ALA 367 Ca -0.13 -0.35 -0.26 0.00 0.00 0.00 0.00 51.96 51.22 2pa3 s ALA 367 Cb 0.07 0.67 0.07 0.00 0.00 0.00 0.00 23.12 23.93 2pa3 s ALA 367 CO 0.78 -0.62 0.72 -1.14 0.00 0.00 0.00 175.76 175.50 2pa3 s GLN 368 N -3.85 0.86 -0.03 0.00 0.74 -1.26 -1.36 119.66 114.76 2pa3 s GLN 368 Ca 0.06 0.92 0.01 0.00 0.05 0.00 0.00 55.36 56.39 2pa3 s GLN 368 Cb 0.03 0.42 0.02 0.00 1.10 0.00 0.00 33.01 34.57 2pa3 s GLN 368 CO -0.09 -0.12 -0.01 -0.47 -0.55 0.00 0.00 175.29 174.05 2pa3 s TYR 369 N 0.22 0.32 -0.02 1.67 6.14 -0.72 -5.00 117.35 119.96 2pa3 s TYR 369 Ca -0.01 -0.02 0.00 0.00 0.64 0.00 0.00 57.07 57.69 2pa3 s TYR 369 Cb -0.04 -0.38 0.02 0.00 0.42 0.00 0.00 41.96 41.98 2pa3 s TYR 369 CO 0.02 -0.11 0.01 -1.17 0.64 0.00 0.00 175.55 174.94 2pa3 s LEU 370 N 0.83 1.37 0.16 6.97 1.98 -1.26 -0.65 118.68 128.08 2pa3 s LEU 370 Ca -0.08 0.00 0.02 0.00 -2.89 0.00 0.00 54.13 51.18 2pa3 s LEU 370 Cb -0.12 -0.11 -0.05 0.00 0.66 0.00 0.00 46.19 46.58 2pa3 s LEU 370 CO -0.01 -0.08 -0.01 -1.58 -1.89 0.00 0.00 176.35 172.77 2pa3 s GLN 371 N 0.74 1.07 -0.26 1.98 -0.44 -0.08 -5.00 119.66 117.67 2pa3 s GLN 371 Ca -0.07 -1.50 -0.08 0.00 -2.50 0.00 0.00 55.36 51.22 2pa3 s GLN 371 Cb -0.10 -0.28 0.12 0.00 -1.64 0.00 0.00 33.01 31.11 2pa3 s GLN 371 CO -0.02 -0.10 0.55 0.99 0.50 0.00 0.00 175.29 177.21 2pa3 s THR 372 N -3.63 -0.85 0.70 -0.34 2.01 -1.26 -0.67 115.64 111.59 2pa3 s THR 372 Ca 0.22 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.28 2pa3 s THR 372 Cb 0.06 -0.87 0.12 0.00 0.01 0.00 0.00 72.50 71.82 2pa3 s THR 372 CO 0.02 0.02 0.96 -0.94 -0.69 0.00 0.00 174.62 173.99 2pa3 s SER 373 N 2.77 4.47 0.19 3.53 1.04 0.16 -4.96 113.70 120.91 2pa3 s SER 373 Ca -0.01 -0.42 -0.14 0.00 0.48 0.00 0.00 55.95 55.85 2pa3 s SER 373 Cb -0.12 0.01 0.21 0.00 0.10 0.00 0.00 66.02 66.21 2pa3 s SER 373 CO -0.17 -1.78 1.30 0.00 0.98 0.00 0.00 173.24 173.58 2pa3 n ALA 374 N -2.74 -0.09 0.29 5.32 0.00 -1.26 -2.53 120.51 119.49 2pa3 n ALA 374 Ca 0.15 0.84 0.03 0.00 0.00 0.00 0.00 53.44 54.46 2pa3 n ALA 374 Cb 0.61 -0.38 -0.02 0.00 0.00 0.00 0.00 19.45 19.66 2pa3 n ALA 374 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pa3 n GLN 375 N -5.24 3.53 -4.42 0.00 10.64 -1.26 -4.85 117.38 115.78 2pa3 n GLN 375 Ca 0.09 -0.26 -0.22 0.00 -1.83 0.00 0.00 57.00 54.78 2pa3 n GLN 375 Cb 0.34 -0.89 -0.10 0.00 -0.86 0.00 0.00 30.24 28.73 2pa3 n GLN 375 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 2pa3 s MET 376 N -1.28 1.53 0.01 2.61 1.75 -1.05 -0.35 119.30 122.52 2pa3 s MET 376 Ca 0.04 -1.71 0.00 0.00 -1.25 0.00 0.00 55.69 52.78 2pa3 s MET 376 Cb 0.05 -1.45 -0.01 0.00 2.84 0.00 0.00 34.83 36.26 2pa3 s MET 376 CO 0.20 0.24 -0.02 0.20 -0.65 0.00 0.00 175.02 174.99 2pa3 s GLY 377 N -3.43 0.15 0.01 2.11 0.00 -0.56 0.36 107.32 105.96 2pa3 s GLY 377 Ca 0.27 -0.29 0.03 0.00 0.00 0.00 0.00 44.72 44.73 2pa3 s GLY 377 CO 0.11 -0.32 -0.10 -0.47 0.00 0.00 0.00 173.10 172.32 2pa3 s TYR 378 N -0.65 0.90 -0.18 1.90 5.04 0.15 -1.63 117.35 122.88 2pa3 s TYR 378 Ca -0.06 -0.26 -0.09 0.00 -2.44 0.00 0.00 57.07 54.21 2pa3 s TYR 378 Cb -0.05 -0.56 0.07 0.00 0.35 0.00 0.00 41.96 41.77 2pa3 s TYR 378 CO -0.00 -0.01 0.43 0.54 -1.34 0.00 0.00 175.55 175.17 2pa3 s VAL 379 N -0.58 -0.14 0.12 3.14 0.11 -0.74 -0.90 120.40 121.41 2pa3 s VAL 379 Ca 0.01 0.10 0.01 0.00 -2.93 0.00 0.00 61.98 59.17 2pa3 s VAL 379 Cb -0.06 -0.65 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 2pa3 s VAL 379 CO 0.00 0.04 0.26 -0.69 -3.33 0.00 0.00 175.10 171.39 2pa3 s VAL 380 N 1.65 5.34 -0.14 2.04 1.01 0.18 -1.85 120.40 128.63 2pa3 s VAL 380 Ca -0.08 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 2pa3 s VAL 380 Cb -0.09 -3.70 0.07 0.00 0.00 0.00 0.00 36.38 32.66 2pa3 s VAL 380 CO -0.13 -0.00 0.29 -0.63 0.00 0.00 0.00 175.10 174.62 2pa3 s ILE 381 N -1.66 -0.44 0.07 2.22 1.09 -0.36 -1.76 121.20 120.37 2pa3 s ILE 381 Ca 0.35 0.26 -0.03 0.00 -1.10 0.00 0.00 60.65 60.13 2pa3 s ILE 381 Cb -0.12 -0.47 -0.05 0.00 -1.06 0.00 0.00 42.46 40.76 2pa3 s ILE 381 CO 0.28 0.11 0.27 -1.81 -0.10 0.00 0.00 174.94 173.69 2pa3 s ASP 382 N 2.41 6.42 -0.03 3.58 1.01 -0.46 -0.55 116.67 129.05 2pa3 s ASP 382 Ca 0.00 0.42 -0.21 0.00 0.71 0.00 0.00 52.55 53.47 2pa3 s ASP 382 Cb -0.12 -2.02 0.04 0.00 1.01 0.00 0.00 42.92 41.83 2pa3 s ASP 382 CO -0.09 0.16 0.45 0.27 0.21 0.00 0.00 175.17 176.17 2pa3 s ILE 383 N -1.50 0.04 -0.50 0.77 -4.36 -0.37 -2.60 121.20 112.67 2pa3 s ILE 383 Ca 0.35 -0.29 -0.17 0.00 -0.26 0.00 0.00 60.65 60.27 2pa3 s ILE 383 Cb -0.13 -0.76 0.07 0.00 1.25 0.00 0.00 42.46 42.90 2pa3 s ILE 383 CO 0.24 -0.16 0.53 -1.61 0.24 0.00 0.00 174.94 174.18 2pa3 s GLU 384 N -1.27 3.05 0.29 0.37 2.02 -0.71 -0.51 118.70 121.94 2pa3 s GLU 384 Ca -0.13 -1.19 -0.20 0.00 0.02 0.00 0.00 54.97 53.47 2pa3 s GLU 384 Cb -0.03 -4.15 0.03 0.00 0.10 0.00 0.00 34.13 30.08 2pa3 s GLU 384 CO 0.06 -1.19 0.77 0.00 0.02 0.00 0.00 175.26 174.93 2pa3 s ALA 385 N 2.15 -1.16 0.40 5.21 0.00 -1.26 -4.34 121.76 122.76 2pa3 s ALA 385 Ca 0.09 -0.38 -0.13 0.00 0.00 0.00 0.00 51.96 51.54 2pa3 s ALA 385 Cb -0.23 0.79 -0.08 0.00 0.00 0.00 0.00 23.12 23.60 2pa3 s ALA 385 CO 0.08 -1.03 0.80 -0.51 0.00 0.00 0.00 175.76 175.11 2pa3 s ASP 386 N -2.97 6.64 0.23 0.00 1.01 -1.26 -4.80 116.67 115.51 2pa3 s ASP 386 Ca 0.12 1.27 -0.08 0.00 0.71 0.00 0.00 52.55 54.58 2pa3 s ASP 386 Cb -0.05 -2.38 0.37 0.00 1.01 0.00 0.00 42.92 41.87 2pa3 s ASP 386 CO 0.08 -0.36 1.69 -0.08 0.21 0.00 0.00 175.17 176.70 2pa3 h GLU 387 N 1.56 0.23 -0.62 8.23 4.81 -1.99 0.40 114.58 127.20 2pa3 h GLU 387 Ca -0.47 -0.01 0.11 0.00 -0.13 0.00 0.00 59.36 58.85 2pa3 h GLU 387 Cb 1.18 -0.05 -0.12 0.00 0.63 0.00 0.00 28.75 30.39 2pa3 h GLU 387 CO 0.64 0.15 -0.33 -0.44 -0.73 0.00 0.00 179.01 178.30 2pa3 h ASP 388 N 0.24 -1.16 0.10 1.04 3.45 -2.00 -1.05 116.42 117.04 2pa3 h ASP 388 Ca 0.36 0.23 -0.11 0.00 0.43 0.00 0.00 57.03 57.95 2pa3 h ASP 388 Cb 0.59 0.58 -0.01 0.00 -0.56 0.00 0.00 39.33 39.93 2pa3 h ASP 388 CO -0.48 -0.30 -0.38 0.58 -1.57 0.00 0.00 179.24 177.10 2pa3 h VAL 389 N -0.14 1.30 0.39 -1.35 2.07 -1.36 -2.67 116.25 114.48 2pa3 h VAL 389 Ca 0.24 -1.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 2pa3 h VAL 389 Cb 0.55 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 2pa3 h VAL 389 CO -0.70 0.45 -0.19 0.00 0.02 0.00 0.00 177.57 177.16 2pa3 h ALA 390 N 1.29 -0.52 -0.29 1.67 0.00 -0.44 -0.87 119.26 120.10 2pa3 h ALA 390 Ca 0.03 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.87 2pa3 h ALA 390 Cb 0.81 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.72 2pa3 h ALA 390 CO 0.06 -0.74 -0.28 0.93 0.00 0.00 0.00 179.25 179.22 2pa3 h GLU 391 N -0.61 -0.26 -0.77 0.00 4.39 -1.04 0.26 114.58 116.55 2pa3 h GLU 391 Ca -0.05 0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.73 2pa3 h GLU 391 Cb 0.45 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.10 2pa3 h GLU 391 CO 0.09 -0.17 0.46 0.87 -1.16 0.00 0.00 179.01 179.09 2pa3 h LYS 392 N -0.27 0.81 -0.57 2.33 1.79 -1.43 -1.20 116.57 118.05 2pa3 h LYS 392 Ca 0.15 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.56 2pa3 h LYS 392 Cb 0.50 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.94 2pa3 h LYS 392 CO -0.44 0.54 0.31 0.00 -1.08 0.00 0.00 179.45 178.78 2pa3 h ALA 393 N 1.38 0.72 -0.52 3.86 0.00 0.41 -2.03 119.26 123.08 2pa3 h ALA 393 Ca 0.34 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.26 2pa3 h ALA 393 Cb 0.18 -0.23 -0.09 0.00 0.00 0.00 0.00 17.79 17.65 2pa3 h ALA 393 CO -0.18 0.24 -0.05 1.25 0.00 0.00 0.00 179.25 180.51 2pa3 h LEU 394 N 0.76 -0.33 0.10 0.00 5.85 0.64 0.40 115.31 122.74 2pa3 h LEU 394 Ca 0.20 0.14 0.02 0.00 0.84 0.00 0.00 57.88 59.08 2pa3 h LEU 394 Cb 0.04 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 2pa3 h LEU 394 CO -0.03 -0.12 -0.37 -0.61 -0.34 0.00 0.00 178.44 176.97 2pa3 h GLN 395 N 0.07 -0.57 -0.88 1.25 5.75 -0.97 0.18 115.11 119.93 2pa3 h GLN 395 Ca 0.26 0.04 0.08 0.00 -0.15 0.00 0.00 58.65 58.88 2pa3 h GLN 395 Cb 0.40 0.13 -0.06 0.00 1.07 0.00 0.00 27.48 29.02 2pa3 h GLN 395 CO -0.48 -0.38 0.57 0.00 -2.65 0.00 0.00 178.83 175.89 2pa3 h ALA 396 N -0.01 1.58 -0.36 3.38 0.00 -0.62 -1.85 119.26 121.37 2pa3 h ALA 396 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2pa3 h ALA 396 Cb 0.63 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2pa3 h ALA 396 CO -0.23 0.27 0.20 0.52 0.00 0.00 0.00 179.25 180.01 2pa3 h MET 397 N 0.95 0.50 -0.91 0.00 2.86 0.11 -1.74 114.93 116.71 2pa3 h MET 397 Ca 0.39 -0.06 0.19 0.00 -2.06 0.00 0.00 59.70 58.17 2pa3 h MET 397 Cb 0.28 -0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.77 2pa3 h MET 397 CO -0.15 0.41 0.59 0.87 1.06 0.00 0.00 176.91 179.69 2pa3 h LYS 398 N 0.46 0.47 0.00 1.72 1.57 0.11 -2.06 116.57 118.84 2pa3 h LYS 398 Ca 0.13 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2pa3 h LYS 398 Cb 0.05 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 2pa3 h LYS 398 CO -0.02 0.31 -0.09 0.00 -0.57 0.00 0.00 179.45 179.08 2pa3 h ALA 399 N 1.61 1.11 -2.43 3.86 0.00 -0.82 -3.45 119.26 119.14 2pa3 h ALA 399 Ca 0.48 -0.08 -0.53 0.00 0.00 0.00 0.00 54.91 54.78 2pa3 h ALA 399 Cb 1.07 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.87 2pa3 h ALA 399 CO -0.20 0.11 1.12 0.42 0.00 0.00 0.00 179.25 180.70 2pa3 s ILE 400 N -3.93 2.89 -0.10 0.00 1.01 -0.78 -4.88 121.20 115.41 2pa3 s ILE 400 Ca -0.01 0.20 -0.41 0.00 0.00 0.00 0.00 60.65 60.42 2pa3 s ILE 400 Cb 0.11 -3.13 -0.20 0.00 0.01 0.00 0.00 42.46 39.26 2pa3 s ILE 400 CO 0.55 -0.01 1.23 -2.65 0.00 0.00 0.00 174.94 174.06 2pa3 n PRO 401 N 6.37 0.15 0.00 2.79 -0.02 -1.26 -0.23 135.00 142.80 2pa3 n PRO 401 Ca 0.18 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2pa3 n PRO 401 Cb 0.40 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 2pa3 n PRO 401 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pa3 n GLY 402 N 2.20 2.33 3.64 -1.23 0.00 -1.26 -4.90 105.19 105.96 2pa3 n GLY 402 Ca 0.22 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.73 2pa3 n GLY 402 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2pa3 n THR 403 N -2.00 0.11 -0.12 2.61 -1.04 0.68 -1.65 114.28 112.87 2pa3 n THR 403 Ca 0.00 -0.02 -0.25 0.00 -2.04 0.00 0.00 64.05 61.74 2pa3 n THR 403 Cb 0.00 -1.18 -0.11 0.00 -1.82 0.00 0.00 70.33 67.22 2pa3 n THR 403 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2pa3 n ILE 404 N 3.35 1.55 -3.44 12.58 5.41 0.09 -4.92 119.36 133.97 2pa3 n ILE 404 Ca 0.20 -0.33 -0.12 0.00 1.00 0.00 0.00 62.75 63.50 2pa3 n ILE 404 Cb 0.22 -1.85 -0.02 0.00 -0.71 0.00 0.00 39.64 37.27 2pa3 n ILE 404 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2pa3 s ARG 405 N -2.47 1.26 0.21 0.38 3.52 -0.90 -4.98 118.95 115.96 2pa3 s ARG 405 Ca -0.34 -0.47 -0.14 0.00 -0.13 0.00 0.00 55.73 54.64 2pa3 s ARG 405 Cb 0.11 0.58 0.01 0.00 -1.56 0.00 0.00 34.95 34.08 2pa3 s ARG 405 CO 0.56 -0.55 0.46 0.00 -0.81 0.00 0.00 175.30 174.95 2pa3 s ALA 406 N -3.71 -0.53 -0.09 6.12 0.00 -1.26 -0.24 121.76 122.04 2pa3 s ALA 406 Ca 0.02 -0.57 -0.30 0.00 0.00 0.00 0.00 51.96 51.11 2pa3 s ALA 406 Cb -0.01 0.91 0.10 0.00 0.00 0.00 0.00 23.12 24.12 2pa3 s ALA 406 CO -0.12 -0.79 0.87 0.50 0.00 0.00 0.00 175.76 176.22 2pa3 s ARG 407 N -3.94 0.79 -0.66 0.00 3.52 -1.02 -4.98 118.95 112.67 2pa3 s ARG 407 Ca 0.15 0.09 -0.00 0.00 -0.13 0.00 0.00 55.73 55.84 2pa3 s ARG 407 Cb -0.00 0.37 0.17 0.00 -1.56 0.00 0.00 34.95 33.93 2pa3 s ARG 407 CO 0.01 -0.27 0.47 -1.17 -0.81 0.00 0.00 175.30 173.53 2pa3 s LEU 408 N -1.40 5.02 0.57 -0.88 2.96 -1.26 -1.41 118.68 122.29 2pa3 s LEU 408 Ca -0.03 -3.19 0.27 0.00 -0.22 0.00 0.00 54.13 50.96 2pa3 s LEU 408 Cb -0.00 -1.79 1.53 0.00 0.50 0.00 0.00 46.19 46.43 2pa3 s LEU 408 CO 0.02 -0.26 2.04 -0.07 -1.32 0.00 0.00 176.35 176.76 2pa3 h LEU 409 N 6.50 0.00 0.00 -0.68 3.38 -1.67 -3.48 115.31 119.35 2pa3 h LEU 409 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2pa3 h LEU 409 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2pa3 h LEU 409 CO 0.73 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.26