#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tuf s LEU 16 N 0.00 4.36 0.00 -2.13 0.20 -1.26 -3.11 118.68 116.74 1tuf s LEU 16 Ca 0.00 1.86 0.00 0.00 0.69 0.00 0.00 54.13 56.68 1tuf s LEU 16 Cb 0.00 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.19 1tuf s LEU 16 CO 0.00 -0.41 0.00 0.61 -0.29 0.00 0.00 176.35 176.26 1tuf n GLY 17 N 3.13 3.13 3.36 7.98 0.00 -1.26 -4.79 105.19 116.74 1tuf n GLY 17 Ca 0.08 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 1tuf n GLY 17 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1tuf s ASN 18 N -0.71 7.12 0.00 1.61 0.01 -1.18 -4.84 114.94 116.95 1tuf s ASN 18 Ca 0.00 -3.22 0.27 0.00 -0.71 0.00 0.00 52.86 49.20 1tuf s ASN 18 Cb 0.00 -2.24 0.88 0.00 0.41 0.00 0.00 41.25 40.30 1tuf s ASN 18 CO 0.00 -0.45 1.68 0.47 -1.51 0.00 0.00 177.10 177.28 1tuf n ASP 19 N 3.58 0.24 -0.52 -1.22 8.00 -1.26 -4.07 116.55 121.30 1tuf n ASP 19 Ca 0.23 0.14 0.07 0.00 0.71 0.00 0.00 54.79 55.94 1tuf n ASP 19 Cb 0.42 -0.14 0.17 0.00 -0.02 0.00 0.00 41.12 41.56 1tuf n ASP 19 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1tuf n THR 20 N -1.50 1.74 -4.43 -3.53 -2.24 -1.26 -5.01 114.28 98.06 1tuf n THR 20 Ca 0.06 -1.67 -0.26 0.00 -2.27 0.00 0.00 64.05 59.91 1tuf n THR 20 Cb 0.34 0.01 -0.11 0.00 -2.10 0.00 0.00 70.33 68.47 1tuf n THR 20 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1tuf s VAL 21 N -2.20 2.35 0.25 2.28 -7.23 -1.26 -0.07 120.40 114.52 1tuf s VAL 21 Ca 0.30 -2.08 -0.21 0.00 -1.81 0.00 0.00 61.98 58.18 1tuf s VAL 21 Cb 0.23 -2.14 0.03 0.00 0.56 0.00 0.00 36.38 35.07 1tuf s VAL 21 CO 0.08 -0.16 0.68 -1.83 -0.31 0.00 0.00 175.10 173.55 1tuf s GLU 22 N -2.78 1.65 -0.36 4.82 -1.05 -0.55 -4.99 118.70 115.43 1tuf s GLU 22 Ca 0.22 -0.87 -0.01 0.00 -0.15 0.00 0.00 54.97 54.16 1tuf s GLU 22 Cb -0.07 0.60 0.09 0.00 -0.44 0.00 0.00 34.13 34.30 1tuf s GLU 22 CO 0.10 -0.74 0.10 0.42 0.95 0.00 0.00 175.26 176.09 1tuf s ILE 23 N -3.88 2.93 0.00 1.83 1.01 -1.26 -0.17 121.20 121.65 1tuf s ILE 23 Ca 0.09 -1.93 0.00 0.00 0.00 0.00 0.00 60.65 58.81 1tuf s ILE 23 Cb -0.04 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.48 1tuf s ILE 23 CO 0.02 -0.49 0.00 0.29 0.00 0.00 0.00 174.94 174.76 1tuf n LYS 24 N 4.52 0.00 -2.04 2.79 5.02 -0.62 -4.70 118.16 123.13 1tuf n LYS 24 Ca -0.04 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.84 1tuf n LYS 24 Cb 0.42 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.43 1tuf n LYS 24 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1tuf n ASP 25 N 0.00 6.98 -1.83 4.39 8.00 -1.26 -4.50 116.55 128.34 1tuf n ASP 25 Ca 0.00 -3.07 -0.18 0.00 0.71 0.00 0.00 54.79 52.25 1tuf n ASP 25 Cb 0.00 -1.43 -0.03 0.00 -0.02 0.00 0.00 41.12 39.64 1tuf n ASP 25 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tuf n GLY 26 N 2.32 0.36 2.99 0.44 0.00 -1.26 -4.94 105.19 105.09 1tuf n GLY 26 Ca 0.56 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.31 1tuf n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tuf s ARG 27 N -4.43 0.39 -0.00 1.61 0.52 -1.26 -0.39 118.95 115.39 1tuf s ARG 27 Ca 0.00 -0.45 -0.24 0.00 -0.52 0.00 0.00 55.73 54.53 1tuf s ARG 27 Cb 0.00 -0.23 -0.05 0.00 0.52 0.00 0.00 34.95 35.19 1tuf s ARG 27 CO 0.00 0.05 0.71 0.12 0.02 0.00 0.00 175.30 176.20 1tuf s PHE 28 N -0.80 3.67 -0.02 -0.53 5.36 0.29 -1.59 117.98 124.37 1tuf s PHE 28 Ca -0.06 1.35 0.05 0.00 -0.96 0.00 0.00 56.93 57.31 1tuf s PHE 28 Cb -0.06 -2.77 -0.01 0.00 -0.34 0.00 0.00 43.02 39.83 1tuf s PHE 28 CO -0.00 0.23 -0.18 -0.06 -1.46 0.00 0.00 175.22 173.74 1tuf s PHE 29 N 0.21 1.70 -0.24 10.12 0.40 0.76 -1.67 117.98 129.26 1tuf s PHE 29 Ca 0.37 -0.38 -0.01 0.00 -0.60 0.00 0.00 56.93 56.31 1tuf s PHE 29 Cb -0.19 -1.11 0.03 0.00 0.51 0.00 0.00 43.02 42.25 1tuf s PHE 29 CO 0.20 -0.07 -0.09 0.42 0.70 0.00 0.00 175.22 176.38 1tuf s ILE 30 N -0.29 2.67 -1.55 0.64 1.01 0.14 -1.48 121.20 122.33 1tuf s ILE 30 Ca 0.04 -1.06 -0.02 0.00 0.00 0.00 0.00 60.65 59.61 1tuf s ILE 30 Cb -0.09 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 40.06 1tuf s ILE 30 CO 0.00 0.24 0.21 0.47 0.00 0.00 0.00 174.94 175.87 1tuf n ASP 31 N 4.64 -5.46 0.00 3.58 8.00 0.90 -0.83 116.55 127.38 1tuf n ASP 31 Ca -0.17 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.24 1tuf n ASP 31 Cb 0.47 -4.51 0.00 0.00 -0.02 0.00 0.00 41.12 37.06 1tuf n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tuf n GLY 32 N -1.14 0.82 3.76 0.44 0.00 -1.26 -4.94 105.19 102.88 1tuf n GLY 32 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 1tuf n GLY 32 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tuf s TYR 33 N -3.18 3.45 -0.23 1.61 2.02 -0.01 -5.03 117.35 115.98 1tuf s TYR 33 Ca 0.00 0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 56.82 1tuf s TYR 33 Cb 0.00 -2.14 -0.04 0.00 -0.40 0.00 0.00 41.96 39.38 1tuf s TYR 33 CO 0.00 0.37 1.88 0.34 -1.57 0.00 0.00 175.55 176.57 1tuf s ASP 34 N 0.10 5.97 0.22 2.29 -1.08 -1.26 -0.68 116.67 122.22 1tuf s ASP 34 Ca 0.10 1.68 -0.08 0.00 -0.52 0.00 0.00 52.55 53.74 1tuf s ASP 34 Cb -0.11 -2.52 0.30 0.00 -1.46 0.00 0.00 42.92 39.12 1tuf s ASP 34 CO -0.00 -1.59 1.79 0.00 0.52 0.00 0.00 175.17 175.89 1tuf h ALA 35 N 12.63 0.93 -0.68 3.66 0.00 -1.68 -0.83 119.26 133.29 1tuf h ALA 35 Ca -0.37 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1tuf h ALA 35 Cb 1.19 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1tuf h ALA 35 CO 0.99 -0.03 0.25 0.82 0.00 0.00 0.00 179.25 181.29 1tuf h ILE 36 N 0.61 1.25 -0.44 0.00 2.04 -1.90 -1.70 117.51 117.37 1tuf h ILE 36 Ca 0.33 -0.79 -0.07 0.00 1.00 0.00 0.00 64.86 65.32 1tuf h ILE 36 Cb 0.30 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1tuf h ILE 36 CO -0.24 0.31 -0.03 -0.33 0.00 0.00 0.00 178.15 177.86 1tuf h GLU 37 N 0.97 0.73 -0.48 2.37 5.08 -1.76 -0.01 114.58 121.48 1tuf h GLU 37 Ca 0.22 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1tuf h GLU 37 Cb 0.24 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1tuf h GLU 37 CO -0.01 0.77 0.26 -0.07 -1.00 0.00 0.00 179.01 178.95 1tuf h LEU 38 N 0.68 0.60 -0.70 1.33 3.38 -0.80 0.13 115.31 119.93 1tuf h LEU 38 Ca 0.13 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1tuf h LEU 38 Cb 0.47 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1tuf h LEU 38 CO 0.02 0.53 0.44 0.00 0.09 0.00 0.00 178.44 179.52 1tuf h ALA 39 N 1.10 0.90 -0.65 1.53 0.00 -0.79 0.13 119.26 121.48 1tuf h ALA 39 Ca 0.17 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1tuf h ALA 39 Cb 0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1tuf h ALA 39 CO -0.03 0.35 0.10 0.93 0.00 0.00 0.00 179.25 180.60 1tuf h GLU 40 N 0.96 1.08 0.05 0.00 4.39 -0.40 0.22 114.58 120.88 1tuf h GLU 40 Ca 0.25 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1tuf h GLU 40 Cb -0.06 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 1tuf h GLU 40 CO -0.05 1.00 -0.03 -0.22 -1.16 0.00 0.00 179.01 178.55 1tuf h LYS 41 N 1.00 -0.07 0.00 2.33 3.64 -0.38 -3.36 116.57 119.72 1tuf h LYS 41 Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1tuf h LYS 41 Cb 0.45 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1tuf h LYS 41 CO 0.01 0.53 -0.78 1.19 -2.27 0.00 0.00 179.45 178.13 1tuf n PHE 42 N -4.80 0.07 0.00 1.91 3.72 0.41 -5.08 117.46 113.69 1tuf n PHE 42 Ca -0.08 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1tuf n PHE 42 Cb 0.31 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 1tuf n PHE 42 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1tuf n GLY 43 N 1.47 -0.98 3.19 1.37 0.00 0.77 -5.01 105.19 106.00 1tuf n GLY 43 Ca 0.04 -1.65 -0.15 0.00 0.00 0.00 0.00 46.02 44.26 1tuf n GLY 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1tuf s THR 44 N -1.62 0.99 0.61 2.61 -4.23 -1.26 -4.17 115.64 108.57 1tuf s THR 44 Ca 0.00 -1.69 -0.18 0.00 -1.18 0.00 0.00 61.69 58.64 1tuf s THR 44 Cb 0.00 -1.43 -0.03 0.00 1.34 0.00 0.00 72.50 72.39 1tuf s THR 44 CO 0.00 -0.57 1.20 -2.16 -0.54 0.00 0.00 174.62 172.55 1tuf s PRO 45 N -2.88 2.90 -0.08 3.99 0.04 -1.26 -4.96 135.00 132.75 1tuf s PRO 45 Ca 0.07 1.77 -0.03 0.00 0.04 0.00 0.00 61.00 62.85 1tuf s PRO 45 Cb -0.02 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.63 1tuf s PRO 45 CO 0.00 -1.25 0.17 -1.17 0.04 0.00 0.00 177.00 174.79 1tuf s LEU 46 N -4.22 0.32 -0.03 -3.56 2.96 -0.57 -3.81 118.68 109.76 1tuf s LEU 46 Ca 0.76 0.35 -0.22 0.00 -0.22 0.00 0.00 54.13 54.80 1tuf s LEU 46 Cb -0.29 0.37 -0.05 0.00 0.50 0.00 0.00 46.19 46.73 1tuf s LEU 46 CO 0.34 -0.19 0.65 -0.31 -1.32 0.00 0.00 176.35 175.52 1tuf s TYR 47 N 1.70 3.64 -0.18 5.38 2.02 -0.28 0.17 117.35 129.79 1tuf s TYR 47 Ca -0.04 1.24 0.01 0.00 -0.37 0.00 0.00 57.07 57.91 1tuf s TYR 47 Cb -0.12 -2.71 0.03 0.00 -0.40 0.00 0.00 41.96 38.76 1tuf s TYR 47 CO -0.06 0.22 -0.13 0.08 -1.57 0.00 0.00 175.55 174.09 1tuf s VAL 48 N 0.27 1.72 -0.17 0.71 1.01 0.14 -1.00 120.40 123.09 1tuf s VAL 48 Ca 0.34 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 1tuf s VAL 48 Cb -0.18 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1tuf s VAL 48 CO 0.18 0.32 0.05 -0.04 0.00 0.00 0.00 175.10 175.61 1tuf s MET 49 N 1.39 3.87 -0.37 2.72 -1.94 0.45 -1.29 119.30 124.13 1tuf s MET 49 Ca 0.02 -0.35 -0.18 0.00 -1.71 0.00 0.00 55.69 53.47 1tuf s MET 49 Cb -0.15 -3.16 0.00 0.00 2.01 0.00 0.00 34.83 33.53 1tuf s MET 49 CO -0.10 0.33 0.49 0.45 -0.01 0.00 0.00 175.02 176.18 1tuf s SER 50 N 0.21 6.28 0.15 3.03 0.15 -0.33 -0.66 113.70 122.53 1tuf s SER 50 Ca 0.04 -0.19 -0.15 0.00 0.70 0.00 0.00 55.95 56.34 1tuf s SER 50 Cb -0.12 -2.25 0.02 0.00 -1.71 0.00 0.00 66.02 61.95 1tuf s SER 50 CO 0.01 -0.50 1.72 -0.08 1.20 0.00 0.00 173.24 175.58 1tuf h GLU 51 N 8.54 0.66 -0.49 5.44 4.81 -1.60 -2.64 114.58 129.30 1tuf h GLU 51 Ca -0.28 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 58.81 1tuf h GLU 51 Cb 1.12 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 1tuf h GLU 51 CO 0.78 0.57 0.15 0.93 -0.73 0.00 0.00 179.01 180.70 1tuf h GLU 52 N 0.59 0.73 -0.69 1.92 4.39 -1.93 -1.89 114.58 117.70 1tuf h GLU 52 Ca 0.16 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 1tuf h GLU 52 Cb 0.13 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 1tuf h GLU 52 CO -0.02 0.64 0.25 0.37 -1.16 0.00 0.00 179.01 179.09 1tuf h GLN 53 N 0.72 1.06 -0.73 2.33 5.75 -1.88 0.73 115.11 123.09 1tuf h GLN 53 Ca 0.17 -0.21 -0.05 0.00 -0.15 0.00 0.00 58.65 58.40 1tuf h GLN 53 Cb 0.22 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 1tuf h GLN 53 CO -0.01 0.90 0.25 0.82 -2.65 0.00 0.00 178.83 178.14 1tuf h ILE 54 N 1.00 1.26 -0.64 2.39 2.04 -1.08 -0.50 117.51 121.99 1tuf h ILE 54 Ca 0.23 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 1tuf h ILE 54 Cb 0.26 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1tuf h ILE 54 CO -0.01 0.34 0.29 0.11 0.00 0.00 0.00 178.15 178.88 1tuf h LYS 55 N 1.07 0.92 -0.39 2.37 1.57 -0.86 -0.90 116.57 120.35 1tuf h LYS 55 Ca 0.24 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1tuf h LYS 55 Cb 0.28 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1tuf h LYS 55 CO -0.01 0.75 0.18 0.82 -0.57 0.00 0.00 179.45 180.61 1tuf h ILE 56 N 0.88 1.18 -0.38 1.86 2.04 -0.33 0.13 117.51 122.89 1tuf h ILE 56 Ca 0.22 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1tuf h ILE 56 Cb 0.14 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1tuf h ILE 56 CO -0.03 0.19 0.20 0.78 0.00 0.00 0.00 178.15 179.29 1tuf h ASN 57 N 0.48 0.47 0.35 1.72 2.35 -0.82 -0.77 115.58 119.36 1tuf h ASN 57 Ca 0.13 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1tuf h ASN 57 Cb 0.14 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1tuf h ASN 57 CO -0.02 0.44 -0.17 0.22 -1.65 0.00 0.00 177.43 176.26 1tuf h TYR 58 N 0.48 -0.43 -0.86 1.19 3.20 -1.01 -2.78 116.97 116.76 1tuf h TYR 58 Ca 0.13 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.14 1tuf h TYR 58 Cb 0.07 0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.42 1tuf h TYR 58 CO -0.02 -0.22 0.56 -0.91 -1.64 0.00 0.00 178.16 175.93 1tuf h ASN 59 N -0.54 0.58 -0.31 -2.11 2.35 -0.55 0.65 115.58 115.65 1tuf h ASN 59 Ca -0.05 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1tuf h ASN 59 Cb 0.40 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 1tuf h ASN 59 CO 0.08 0.29 0.20 0.03 -1.65 0.00 0.00 177.43 176.38 1tuf h ARG 60 N 0.61 0.41 0.00 0.81 3.08 -0.86 0.11 114.38 118.55 1tuf h ARG 60 Ca 0.43 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.45 1tuf h ARG 60 Cb 0.77 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1tuf h ARG 60 CO -0.18 0.29 -0.00 1.88 -1.07 0.00 0.00 179.97 180.88 1tuf h TYR 61 N 0.43 -0.00 -0.45 3.04 0.05 -0.79 -1.98 116.97 117.26 1tuf h TYR 61 Ca 0.11 -0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.94 1tuf h TYR 61 Cb -0.03 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.67 1tuf h TYR 61 CO 0.00 0.65 0.20 0.82 -1.05 0.00 0.00 178.16 178.77 1tuf h ILE 62 N -0.66 0.91 -0.27 -2.88 1.08 -0.99 -1.54 117.51 113.16 1tuf h ILE 62 Ca -0.00 -0.14 -0.03 0.00 -0.39 0.00 0.00 64.86 64.30 1tuf h ILE 62 Cb 0.65 0.49 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 1tuf h ILE 62 CO 0.00 0.07 0.04 -0.08 -0.69 0.00 0.00 178.15 177.49 1tuf h GLU 63 N 0.39 0.45 0.00 2.37 4.57 -0.88 -0.60 114.58 120.89 1tuf h GLU 63 Ca 0.20 -0.12 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 1tuf h GLU 63 Cb 0.16 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1tuf h GLU 63 CO -0.17 0.57 -0.08 0.00 -1.18 0.00 0.00 179.01 178.15 1tuf h ALA 64 N 0.86 1.29 -0.06 2.92 0.00 -1.02 -2.96 119.26 120.29 1tuf h ALA 64 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1tuf h ALA 64 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1tuf h ALA 64 CO 0.01 0.10 0.00 1.19 0.00 0.00 0.00 179.25 180.55 1tuf n PHE 65 N -3.61 0.06 0.18 0.00 3.72 -0.61 -4.52 117.46 112.69 1tuf n PHE 65 Ca -0.02 -0.05 0.17 0.00 -0.05 0.00 0.00 57.45 57.49 1tuf n PHE 65 Cb 0.20 -0.00 0.80 0.00 -0.94 0.00 0.00 39.48 39.53 1tuf n PHE 65 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1tuf h LYS 66 N 2.51 0.00 -0.42 -1.08 2.10 -0.93 1.00 116.57 119.75 1tuf h LYS 66 Ca 0.00 0.00 0.06 0.00 -2.00 0.00 0.00 60.65 58.71 1tuf h LYS 66 Cb 0.56 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.87 1tuf h LYS 66 CO 0.00 0.00 0.28 -0.09 -2.00 0.00 0.00 179.45 177.64 1tuf h ARG 67 N 0.00 0.31 -0.21 0.07 2.43 -1.79 -2.95 114.38 112.24 1tuf h ARG 67 Ca 0.10 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1tuf h ARG 67 Cb 0.52 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1tuf h ARG 67 CO -0.00 0.21 0.13 2.35 -1.51 0.00 0.00 179.97 181.14 1tuf h TRP 68 N 0.32 0.28 -0.02 2.20 2.91 -1.13 -1.78 115.95 118.72 1tuf h TRP 68 Ca 0.18 -0.00 -0.15 0.00 1.13 0.00 0.00 58.89 60.05 1tuf h TRP 68 Cb 0.31 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 28.86 1tuf h TRP 68 CO -0.00 0.22 -0.66 1.49 -1.03 0.00 0.00 178.44 178.45 1tuf h GLU 69 N 0.25 0.10 0.00 2.65 4.81 -1.63 -1.71 114.58 119.05 1tuf h GLU 69 Ca 0.07 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1tuf h GLU 69 Cb 0.02 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1tuf h GLU 69 CO -0.01 0.72 -0.25 0.93 -0.73 0.00 0.00 179.01 179.67 1tuf h GLU 70 N 0.07 0.00 0.00 1.92 5.08 -1.34 0.32 114.58 120.63 1tuf h GLU 70 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1tuf h GLU 70 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1tuf h GLU 70 CO 0.09 0.25 -0.78 0.39 -1.00 0.00 0.00 179.01 177.96 1tuf n GLU 71 N -3.67 1.54 0.00 2.33 1.02 -0.69 -4.65 120.64 116.52 1tuf n GLU 71 Ca -0.01 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1tuf n GLU 71 Cb 0.37 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 1tuf n GLU 71 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1tuf n THR 72 N -1.39 0.00 -0.41 2.62 -2.24 -0.66 -5.00 114.28 107.21 1tuf n THR 72 Ca 0.03 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1tuf n THR 72 Cb 0.26 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 1tuf n THR 72 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tuf n GLY 73 N 0.67 2.15 3.91 3.38 0.00 0.11 -5.00 105.19 110.40 1tuf n GLY 73 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1tuf n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tuf s LYS 74 N -0.01 2.97 0.28 1.61 -0.14 -1.26 -4.96 119.74 118.23 1tuf s LYS 74 Ca 0.00 0.14 -0.17 0.00 -1.36 0.00 0.00 55.97 54.58 1tuf s LYS 74 Cb 0.00 -2.22 -0.09 0.00 -1.68 0.00 0.00 37.83 33.85 1tuf s LYS 74 CO 0.00 -0.74 0.73 -1.21 -0.76 0.00 0.00 175.35 173.37 1tuf s GLU 75 N -5.06 4.10 -0.21 1.68 2.02 -1.26 -3.78 118.70 116.19 1tuf s GLU 75 Ca 0.54 0.74 -0.02 0.00 0.02 0.00 0.00 54.97 56.26 1tuf s GLU 75 Cb -0.11 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.51 1tuf s GLU 75 CO 0.47 0.26 -0.10 0.12 0.02 0.00 0.00 175.26 176.02 1tuf s PHE 76 N -1.79 2.89 -0.06 1.61 5.36 -1.26 -0.99 117.98 123.74 1tuf s PHE 76 Ca 0.49 -1.24 0.05 0.00 -0.96 0.00 0.00 56.93 55.28 1tuf s PHE 76 Cb -0.13 -2.03 -0.01 0.00 -0.34 0.00 0.00 43.02 40.51 1tuf s PHE 76 CO 0.19 -0.66 -0.23 0.42 -1.46 0.00 0.00 175.22 173.48 1tuf s ILE 77 N 1.40 2.23 -0.28 3.12 1.01 0.41 -4.99 121.20 124.10 1tuf s ILE 77 Ca 0.05 -1.00 -0.11 0.00 0.00 0.00 0.00 60.65 59.59 1tuf s ILE 77 Cb -0.14 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 1tuf s ILE 77 CO -0.07 0.57 0.18 -0.69 0.00 0.00 0.00 174.94 174.92 1tuf s VAL 78 N -0.19 5.13 -0.76 2.92 1.01 -1.26 -1.90 120.40 125.36 1tuf s VAL 78 Ca -0.02 0.06 -0.07 0.00 0.00 0.00 0.00 61.98 61.94 1tuf s VAL 78 Cb -0.14 -3.47 0.20 0.00 0.00 0.00 0.00 36.38 32.97 1tuf s VAL 78 CO 0.03 0.23 0.63 0.00 0.00 0.00 0.00 175.10 176.00 1tuf s ALA 79 N 1.73 3.90 0.10 5.51 0.00 0.62 0.87 121.76 134.48 1tuf s ALA 79 Ca 0.07 -3.39 -0.35 0.00 0.00 0.00 0.00 51.96 48.29 1tuf s ALA 79 Cb -0.16 -3.04 -0.15 0.00 0.00 0.00 0.00 23.12 19.77 1tuf s ALA 79 CO 0.10 -2.18 1.49 0.98 0.00 0.00 0.00 175.76 176.14 1tuf n TYR 80 N 3.48 1.92 -2.57 0.00 9.36 -1.11 -3.75 117.16 124.50 1tuf n TYR 80 Ca 0.12 0.43 -0.42 0.00 3.32 0.00 0.00 57.90 61.36 1tuf n TYR 80 Cb 0.41 -2.45 -0.03 0.00 -0.63 0.00 0.00 39.34 36.64 1tuf n TYR 80 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1tuf s ALA 81 N 0.93 2.87 0.00 2.98 0.00 -0.45 0.10 121.76 128.19 1tuf s ALA 81 Ca 0.83 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1tuf s ALA 81 Cb -0.82 -4.15 0.00 0.00 0.00 0.00 0.00 23.12 18.15 1tuf s ALA 81 CO 0.43 -2.99 0.39 0.66 0.00 0.00 0.00 175.76 174.25 1tuf n TYR 82 N 8.92 0.00 0.00 0.00 4.02 -0.95 -4.28 117.16 124.87 1tuf n TYR 82 Ca 0.05 -0.04 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1tuf n TYR 82 Cb 0.49 -0.35 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 1tuf n TYR 82 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1tuf n ALA 84 N 2.76 0.00 0.00 -0.72 0.00 -1.26 -2.77 120.51 118.51 1tuf n ALA 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1tuf n ALA 84 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1tuf n ALA 84 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1tuf n ASN 85 N 0.00 0.00 -1.59 0.00 2.85 -1.26 -0.21 115.26 115.05 1tuf n ASN 85 Ca 0.00 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.32 1tuf n ASN 85 Cb 0.00 0.00 0.09 0.00 1.24 0.00 0.00 39.78 41.11 1tuf n ASN 85 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1tuf n ALA 86 N 0.00 4.69 -1.91 5.20 0.00 -1.12 -4.78 120.51 122.59 1tuf n ALA 86 Ca 0.00 -3.59 -0.42 0.00 0.00 0.00 0.00 53.44 49.43 1tuf n ALA 86 Cb 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 1tuf n ALA 86 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1tuf s ASN 87 N -3.31 6.58 0.33 0.00 3.84 -1.26 -4.82 114.94 116.30 1tuf s ASN 87 Ca 0.48 2.65 0.12 0.00 0.21 0.00 0.00 52.86 56.31 1tuf s ASN 87 Cb 0.41 -2.60 1.01 0.00 -0.55 0.00 0.00 41.25 39.52 1tuf s ASN 87 CO 0.00 -0.81 1.65 0.25 -2.79 0.00 0.00 177.10 175.41 1tuf h LEU 88 N 6.38 0.38 -0.30 3.21 6.46 -1.96 -0.04 115.31 129.43 1tuf h LEU 88 Ca -0.43 0.20 -0.07 0.00 -0.12 0.00 0.00 57.88 57.46 1tuf h LEU 88 Cb 1.21 0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 41.31 1tuf h LEU 88 CO 0.88 -0.16 -0.07 0.00 -0.62 0.00 0.00 178.44 178.48 1tuf h ALA 89 N 1.85 0.42 -0.24 1.25 0.00 -1.89 -1.20 119.26 119.44 1tuf h ALA 89 Ca 0.70 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 1tuf h ALA 89 Cb 1.57 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1tuf h ALA 89 CO -0.63 0.24 0.14 0.82 0.00 0.00 0.00 179.25 179.82 1tuf h ILE 90 N 0.35 1.09 -0.53 0.00 1.08 -1.41 0.19 117.51 118.29 1tuf h ILE 90 Ca 0.08 -0.21 -0.08 0.00 -0.39 0.00 0.00 64.86 64.26 1tuf h ILE 90 Cb 0.55 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 35.07 1tuf h ILE 90 CO 0.03 0.08 0.01 0.71 -0.69 0.00 0.00 178.15 178.29 1tuf h THR 91 N 0.30 1.25 -0.78 -0.27 1.35 -1.34 -0.68 112.91 112.75 1tuf h THR 91 Ca 0.09 -1.05 0.02 0.00 -0.55 0.00 0.00 66.41 64.91 1tuf h THR 91 Cb 0.01 0.83 -0.04 0.00 -1.73 0.00 0.00 68.15 67.22 1tuf h THR 91 CO -0.02 0.38 0.50 -0.09 -0.25 0.00 0.00 175.52 176.04 1tuf h ARG 92 N 0.83 0.97 0.16 4.72 9.65 -0.75 0.59 114.38 130.56 1tuf h ARG 92 Ca 0.16 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.97 1tuf h ARG 92 Cb 0.48 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 28.85 1tuf h ARG 92 CO 0.02 0.64 -0.08 1.25 2.80 0.00 0.00 179.97 184.61 1tuf h LEU 93 N 1.00 -0.19 -1.11 3.80 7.12 -0.04 -2.01 115.31 123.89 1tuf h LEU 93 Ca 0.30 -0.19 -0.05 0.00 0.13 0.00 0.00 57.88 58.07 1tuf h LEU 93 Cb -0.04 0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.11 1tuf h LEU 93 CO -0.09 0.09 0.06 -0.07 -0.13 0.00 0.00 178.44 178.30 1tuf h LEU 94 N -0.46 0.64 -0.71 2.25 3.38 -0.82 -2.24 115.31 117.36 1tuf h LEU 94 Ca -0.02 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.88 1tuf h LEU 94 Cb 0.36 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1tuf h LEU 94 CO 0.04 0.67 0.42 0.00 0.09 0.00 0.00 178.44 179.66 1tuf h ALA 95 N 1.41 0.95 0.00 1.53 0.00 0.37 -0.80 119.26 122.71 1tuf h ALA 95 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1tuf h ALA 95 Cb 0.32 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1tuf h ALA 95 CO 0.00 0.13 -0.18 0.87 0.00 0.00 0.00 179.25 180.08 1tuf h LYS 96 N 0.78 0.00 0.00 0.00 1.57 -0.81 -2.00 116.57 116.12 1tuf h LYS 96 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1tuf h LYS 96 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1tuf h LYS 96 CO -0.16 0.18 0.00 1.28 -0.57 0.00 0.00 179.45 180.19 1tuf n LEU 97 N -3.41 0.00 0.00 2.94 4.77 -0.39 -4.85 117.00 116.05 1tuf n LEU 97 Ca -0.00 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1tuf n LEU 97 Cb 0.38 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1tuf n LEU 97 CO 0.32 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1tuf n GLY 98 N 0.97 0.73 3.79 -0.72 0.00 -0.75 -5.05 105.19 104.17 1tuf n GLY 98 Ca 0.12 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1tuf n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tuf n GLY 100 N -0.72 0.93 3.14 0.00 0.00 0.25 -4.56 105.19 104.24 1tuf n GLY 100 Ca 0.09 -1.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 1tuf n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tuf s ALA 101 N -2.71 -0.76 -0.48 4.61 0.00 -0.19 -2.74 121.76 119.49 1tuf s ALA 101 Ca 0.00 1.21 -0.10 0.00 0.00 0.00 0.00 51.96 53.07 1tuf s ALA 101 Cb 0.00 -0.75 0.12 0.00 0.00 0.00 0.00 23.12 22.49 1tuf s ALA 101 CO 0.00 -0.22 0.36 0.34 0.00 0.00 0.00 175.76 176.24 1tuf s ASP 102 N 1.30 5.75 0.09 0.00 2.15 0.28 -1.52 116.67 124.73 1tuf s ASP 102 Ca -0.09 -1.90 0.02 0.00 0.43 0.00 0.00 52.55 51.01 1tuf s ASP 102 Cb -0.09 -2.03 -0.04 0.00 -0.30 0.00 0.00 42.92 40.46 1tuf s ASP 102 CO -0.10 -0.71 0.15 0.68 -0.17 0.00 0.00 175.17 175.01 1tuf s VAL 103 N 1.38 4.86 -0.02 1.11 -7.23 -0.58 -2.24 120.40 117.69 1tuf s VAL 103 Ca 0.05 -0.68 0.03 0.00 -1.81 0.00 0.00 61.98 59.57 1tuf s VAL 103 Cb -0.27 -3.39 0.05 0.00 0.56 0.00 0.00 36.38 33.33 1tuf s VAL 103 CO -0.00 0.08 0.85 1.33 -0.31 0.00 0.00 175.10 177.04 1tuf n VAL 104 N 0.21 0.55 -3.51 1.32 0.24 -1.26 -0.49 118.33 115.38 1tuf n VAL 104 Ca -0.07 -0.61 -0.11 0.00 -2.04 0.00 0.00 64.34 61.50 1tuf n VAL 104 Cb 0.52 0.56 -0.02 0.00 -1.47 0.00 0.00 33.84 33.42 1tuf n VAL 104 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1tuf s SER 105 N -0.95 -0.47 0.34 -1.34 1.04 -1.26 -4.78 113.70 106.28 1tuf s SER 105 Ca 0.05 -0.13 0.04 0.00 0.48 0.00 0.00 55.95 56.38 1tuf s SER 105 Cb 0.05 0.59 0.66 0.00 0.10 0.00 0.00 66.02 67.42 1tuf s SER 105 CO 0.00 -0.99 1.96 1.23 0.98 0.00 0.00 173.24 176.42 1tuf h GLY 106 N 2.07 1.04 1.42 7.32 0.00 -1.98 -0.97 103.07 111.97 1tuf h GLY 106 Ca -0.32 -0.34 -0.10 0.00 0.00 0.00 0.00 47.33 46.57 1tuf h GLY 106 CO 0.38 0.27 -0.17 -1.33 0.00 0.00 0.00 176.54 175.68 1tuf h GLY 107 N 0.85 0.74 1.27 4.60 0.00 -1.98 0.33 103.07 108.87 1tuf h GLY 107 Ca 0.32 -0.58 -0.17 0.00 0.00 0.00 0.00 47.33 46.89 1tuf h GLY 107 CO -0.10 0.53 -0.52 0.83 0.00 0.00 0.00 176.54 177.28 1tuf h GLU 108 N 0.61 0.78 -0.44 4.80 5.08 -1.61 -0.59 114.58 123.21 1tuf h GLU 108 Ca 0.10 -0.48 -0.04 0.00 -1.00 0.00 0.00 59.36 57.94 1tuf h GLU 108 Cb 0.64 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1tuf h GLU 108 CO 0.04 1.10 0.11 1.25 -1.00 0.00 0.00 179.01 180.52 1tuf h LEU 109 N 0.60 0.67 -0.45 1.33 6.46 -1.15 0.44 115.31 123.20 1tuf h LEU 109 Ca 0.02 -0.23 0.05 0.00 -0.12 0.00 0.00 57.88 57.60 1tuf h LEU 109 Cb 1.11 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.81 1tuf h LEU 109 CO 0.11 0.73 0.19 0.22 -0.62 0.00 0.00 178.44 179.06 1tuf h TYR 110 N 0.57 0.34 -0.18 1.25 3.20 -0.77 1.00 116.97 122.37 1tuf h TYR 110 Ca 0.14 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 1tuf h TYR 110 Cb 0.32 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1tuf h TYR 110 CO 0.02 0.15 -0.02 0.82 -1.64 0.00 0.00 178.16 177.49 1tuf h ILE 111 N 0.38 1.27 -0.37 1.81 2.04 -0.73 -1.87 117.51 120.03 1tuf h ILE 111 Ca 0.20 -0.92 0.07 0.00 1.00 0.00 0.00 64.86 65.21 1tuf h ILE 111 Cb 0.16 1.51 -0.06 0.00 -0.74 0.00 0.00 36.82 37.69 1tuf h ILE 111 CO -0.18 0.28 -0.01 0.00 0.00 0.00 0.00 178.15 178.24 1tuf h ALA 112 N 0.76 0.32 -0.16 1.87 0.00 0.34 0.32 119.26 122.71 1tuf h ALA 112 Ca 0.05 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1tuf h ALA 112 Cb 0.43 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1tuf h ALA 112 CO 0.01 -0.40 -0.28 0.87 0.00 0.00 0.00 179.25 179.45 1tuf h LYS 113 N 0.09 0.31 0.00 0.00 1.79 -0.78 -2.07 116.57 115.91 1tuf h LYS 113 Ca 0.18 -0.11 -0.03 0.00 -2.18 0.00 0.00 60.65 58.51 1tuf h LYS 113 Cb 0.25 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1tuf h LYS 113 CO -0.31 0.57 -0.12 -0.07 -1.08 0.00 0.00 179.45 178.43 1tuf h LEU 114 N 0.27 0.00 -0.82 2.94 3.38 -0.60 -2.84 115.31 117.64 1tuf h LEU 114 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1tuf h LEU 114 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1tuf h LEU 114 CO 0.05 0.12 0.00 -1.20 0.09 0.00 0.00 178.44 177.50 1tuf n SER 115 N -3.17 1.22 -2.30 -0.43 7.64 0.03 -4.91 113.62 111.70 1tuf n SER 115 Ca 0.02 -1.74 -0.16 0.00 1.01 0.00 0.00 58.87 58.01 1tuf n SER 115 Cb 0.49 -0.10 0.03 0.00 -1.01 0.00 0.00 64.21 63.62 1tuf n SER 115 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1tuf n ASN 116 N 0.06 -4.84 -4.71 6.43 3.02 -1.07 -4.70 115.26 109.45 1tuf n ASN 116 Ca 0.13 -0.24 -0.41 0.00 -0.03 0.00 0.00 54.58 54.03 1tuf n ASN 116 Cb 0.24 -3.63 -0.04 0.00 -0.61 0.00 0.00 39.78 35.73 1tuf n ASN 116 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1tuf s VAL 117 N -3.04 4.98 0.28 2.41 1.01 -0.98 -4.93 120.40 120.12 1tuf s VAL 117 Ca 0.26 1.66 -0.30 0.00 0.00 0.00 0.00 61.98 63.61 1tuf s VAL 117 Cb -0.12 -4.14 -0.11 0.00 0.00 0.00 0.00 36.38 32.02 1tuf s VAL 117 CO 0.32 0.22 1.52 -2.84 0.00 0.00 0.00 175.10 174.32 1tuf s PRO 118 N 0.86 4.19 0.45 2.72 0.02 -1.26 -4.69 135.00 137.30 1tuf s PRO 118 Ca 0.43 2.45 0.14 0.00 0.02 0.00 0.00 61.00 64.03 1tuf s PRO 118 Cb -0.19 -3.06 1.06 0.00 0.02 0.00 0.00 34.50 32.34 1tuf s PRO 118 CO 0.22 -0.53 2.03 0.77 -0.33 0.00 0.00 177.00 179.16 1tuf h SER 119 N 4.79 0.29 0.00 2.53 0.02 -1.90 0.14 113.55 119.43 1tuf h SER 119 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1tuf h SER 119 Cb 1.22 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1tuf h SER 119 CO 0.77 0.19 0.00 2.29 -1.14 0.00 0.00 176.83 178.95 1tuf n LYS 120 N -4.47 0.72 -0.14 3.45 2.85 -1.26 -0.95 118.16 118.36 1tuf n LYS 120 Ca 0.06 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.36 1tuf n LYS 120 Cb 0.26 -1.06 0.06 0.00 -0.65 0.00 0.00 35.03 33.64 1tuf n LYS 120 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1tuf n LYS 121 N -0.56 1.23 -4.73 -1.58 5.02 0.03 -4.73 118.16 112.84 1tuf n LYS 121 Ca 0.02 -1.69 -0.33 0.00 -2.02 0.00 0.00 58.31 54.29 1tuf n LYS 121 Cb 0.01 -1.02 -0.15 0.00 -0.02 0.00 0.00 35.03 33.84 1tuf n LYS 121 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1tuf s ILE 122 N -1.41 2.70 0.13 -0.18 1.01 -0.68 -1.02 121.20 121.76 1tuf s ILE 122 Ca 0.13 -0.77 0.11 0.00 0.00 0.00 0.00 60.65 60.11 1tuf s ILE 122 Cb 0.11 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 1tuf s ILE 122 CO 0.01 0.53 -0.26 0.68 0.00 0.00 0.00 174.94 175.90 1tuf s VAL 123 N 0.57 2.21 -0.18 2.92 -7.23 -0.57 -1.40 120.40 116.71 1tuf s VAL 123 Ca -0.10 -1.76 0.01 0.00 -1.81 0.00 0.00 61.98 58.33 1tuf s VAL 123 Cb -0.16 -1.96 0.02 0.00 0.56 0.00 0.00 36.38 34.84 1tuf s VAL 123 CO 0.04 0.06 -0.18 0.12 -0.31 0.00 0.00 175.10 174.83 1tuf s PHE 124 N -1.11 2.74 0.34 2.82 2.19 -0.40 -1.53 117.98 123.04 1tuf s PHE 124 Ca 0.14 -1.66 0.08 0.00 0.33 0.00 0.00 56.93 55.82 1tuf s PHE 124 Cb -0.10 -1.88 -0.04 0.00 -1.31 0.00 0.00 43.02 39.70 1tuf s PHE 124 CO 0.06 -0.80 0.18 -0.80 1.83 0.00 0.00 175.22 175.69 1tuf s ASN 125 N 1.30 4.86 0.00 6.13 0.01 0.35 0.23 114.94 127.82 1tuf s ASN 125 Ca 0.04 -0.68 0.00 0.00 -0.71 0.00 0.00 52.86 51.50 1tuf s ASN 125 Cb -0.14 -0.81 0.00 0.00 0.41 0.00 0.00 41.25 40.71 1tuf s ASN 125 CO -0.12 -0.30 0.00 0.61 -1.51 0.00 0.00 177.10 175.78 1tuf n GLY 126 N -1.21 4.68 0.05 0.66 0.00 -1.26 -4.15 105.19 103.96 1tuf n GLY 126 Ca -0.03 -0.78 0.13 0.00 0.00 0.00 0.00 46.02 45.34 1tuf n GLY 126 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1tuf n ASN 127 N 0.00 0.43 -3.16 1.61 6.94 -1.26 -4.38 115.26 115.44 1tuf n ASN 127 Ca 0.00 -0.20 -0.22 0.00 -0.02 0.00 0.00 54.58 54.14 1tuf n ASN 127 Cb 0.00 -0.01 -0.06 0.00 -2.36 0.00 0.00 39.78 37.35 1tuf n ASN 127 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1tuf s LYS 129 N -1.18 4.30 0.75 0.00 1.02 -1.26 -5.03 119.74 118.33 1tuf s LYS 129 Ca 0.35 1.27 -0.12 0.00 0.02 0.00 0.00 55.97 57.50 1tuf s LYS 129 Cb 0.20 -3.61 0.04 0.00 -0.52 0.00 0.00 37.83 33.94 1tuf s LYS 129 CO -0.12 -0.49 1.11 0.95 -0.92 0.00 0.00 175.35 175.88 1tuf s THR 130 N 2.70 3.13 0.27 2.17 -4.23 -1.26 -4.87 115.64 113.55 1tuf s THR 130 Ca 0.43 0.37 -0.04 0.00 -1.18 0.00 0.00 61.69 61.26 1tuf s THR 130 Cb -0.16 -3.30 0.25 0.00 1.34 0.00 0.00 72.50 70.62 1tuf s THR 130 CO 0.10 -0.48 1.93 0.50 -0.54 0.00 0.00 174.62 176.13 1tuf h LYS 131 N -0.83 1.20 -0.78 3.99 3.64 -1.98 -1.24 116.57 120.57 1tuf h LYS 131 Ca -0.46 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 58.86 1tuf h LYS 131 Cb 1.27 -0.26 -0.05 0.00 -0.41 0.00 0.00 32.23 32.78 1tuf h LYS 131 CO 0.63 0.82 0.50 1.49 -2.27 0.00 0.00 179.45 180.62 1tuf h GLU 132 N 1.23 0.95 -0.13 1.90 4.81 -2.00 -1.30 114.58 120.05 1tuf h GLU 132 Ca 0.33 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 59.32 1tuf h GLU 132 Cb -0.10 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.06 1tuf h GLU 132 CO -0.07 0.63 -0.65 0.93 -0.73 0.00 0.00 179.01 179.12 1tuf h GLU 133 N 0.98 0.49 -0.70 1.92 5.08 -1.80 -2.83 114.58 117.73 1tuf h GLU 133 Ca 0.31 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1tuf h GLU 133 Cb -0.02 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1tuf h GLU 133 CO -0.10 0.97 0.16 0.82 -1.00 0.00 0.00 179.01 179.86 1tuf h ILE 134 N 0.35 1.26 -0.85 3.13 2.04 -0.78 -0.63 117.51 122.04 1tuf h ILE 134 Ca -0.02 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 64.87 1tuf h ILE 134 Cb 1.21 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.81 1tuf h ILE 134 CO 0.12 0.38 0.56 0.40 0.00 0.00 0.00 178.15 179.61 1tuf h ILE 135 N 1.06 1.19 -0.02 -0.67 2.04 -1.19 0.61 117.51 120.52 1tuf h ILE 135 Ca 0.22 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1tuf h ILE 135 Cb 0.39 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1tuf h ILE 135 CO 0.01 0.21 0.01 -0.03 0.00 0.00 0.00 178.15 178.34 1tuf h MET 136 N 1.13 0.02 -0.71 2.37 4.05 -1.16 0.60 114.93 121.23 1tuf h MET 136 Ca 0.32 -0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.76 1tuf h MET 136 Cb -0.08 -0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.67 1tuf h MET 136 CO -0.09 0.14 0.45 0.78 0.23 0.00 0.00 176.91 178.43 1tuf h GLY 137 N -0.10 1.02 0.76 1.39 0.00 -0.64 -1.12 103.07 104.38 1tuf h GLY 137 Ca 0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1tuf h GLY 137 CO -0.00 0.31 -0.07 -2.22 0.00 0.00 0.00 176.54 174.56 1tuf h ILE 138 N 0.89 0.98 -0.73 2.60 2.04 -0.73 -0.89 117.51 121.68 1tuf h ILE 138 Ca 0.28 -0.51 0.16 0.00 1.00 0.00 0.00 64.86 65.78 1tuf h ILE 138 Cb -0.01 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 1tuf h ILE 138 CO -0.10 0.12 0.49 -0.33 0.00 0.00 0.00 178.15 178.34 1tuf h GLU 139 N -0.43 0.32 -0.00 2.37 4.39 -0.67 0.63 114.58 121.20 1tuf h GLU 139 Ca -0.02 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1tuf h GLU 139 Cb 0.34 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1tuf h GLU 139 CO 0.03 0.21 -0.21 0.00 -1.16 0.00 0.00 179.01 177.88 1tuf n ALA 140 N -2.55 2.85 -3.75 3.43 0.00 -0.44 -4.95 120.51 115.11 1tuf n ALA 140 Ca 0.14 -0.21 -0.25 0.00 0.00 0.00 0.00 53.44 53.12 1tuf n ALA 140 Cb 0.56 -1.32 0.04 0.00 0.00 0.00 0.00 19.45 18.74 1tuf n ALA 140 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1tuf n ASN 141 N -1.47 -3.38 -4.57 0.00 4.05 0.22 -4.79 115.26 105.33 1tuf n ASN 141 Ca 0.07 -0.75 -0.32 0.00 0.45 0.00 0.00 54.58 54.03 1tuf n ASN 141 Cb 0.33 -4.22 0.15 0.00 1.23 0.00 0.00 39.78 37.27 1tuf n ASN 141 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 1tuf n ILE 142 N -4.53 0.20 -0.28 -1.44 -5.35 -0.95 -4.62 119.36 102.40 1tuf n ILE 142 Ca -0.12 -0.10 0.02 0.00 -0.27 0.00 0.00 62.75 62.28 1tuf n ILE 142 Cb 0.60 -0.87 0.15 0.00 -1.74 0.00 0.00 39.64 37.78 1tuf n ILE 142 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1tuf h ARG 143 N -1.66 0.74 -1.32 6.28 2.43 0.18 -3.42 114.38 117.60 1tuf h ARG 143 Ca -0.43 -0.04 0.15 0.00 -0.81 0.00 0.00 59.98 58.84 1tuf h ARG 143 Cb 1.28 -0.17 -0.26 0.00 -0.42 0.00 0.00 29.97 30.40 1tuf h ARG 143 CO 0.39 0.49 0.73 0.00 -1.51 0.00 0.00 179.97 180.07 1tuf s ALA 144 N -6.05 -2.03 -0.19 2.80 0.00 -1.18 -4.64 121.76 110.46 1tuf s ALA 144 Ca -0.12 1.74 -0.16 0.00 0.00 0.00 0.00 51.96 53.42 1tuf s ALA 144 Cb 0.18 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 1tuf s ALA 144 CO 0.78 -0.26 0.39 -0.06 0.00 0.00 0.00 175.76 176.61 1tuf s PHE 145 N -0.89 3.39 -1.23 0.00 0.08 -0.04 -1.27 117.98 118.02 1tuf s PHE 145 Ca 0.04 0.63 -0.14 0.00 0.12 0.00 0.00 56.93 57.58 1tuf s PHE 145 Cb -0.01 -2.51 0.16 0.00 -0.57 0.00 0.00 43.02 40.09 1tuf s PHE 145 CO -0.04 0.03 1.50 0.09 -0.10 0.00 0.00 175.22 176.70 1tuf n ASN 146 N 4.32 5.17 -4.64 1.36 3.02 0.13 0.72 115.26 125.35 1tuf n ASN 146 Ca -0.09 -2.97 -0.55 0.00 -0.03 0.00 0.00 54.58 50.94 1tuf n ASN 146 Cb 0.51 -1.59 -0.07 0.00 -0.61 0.00 0.00 39.78 38.02 1tuf n ASN 146 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1tuf n VAL 147 N 4.81 0.12 0.57 2.41 0.31 0.55 -4.47 118.33 122.62 1tuf n VAL 147 Ca 0.39 -0.02 0.10 0.00 -0.01 0.00 0.00 64.34 64.80 1tuf n VAL 147 Cb 0.43 -0.91 -0.13 0.00 -0.91 0.00 0.00 33.84 32.32 1tuf n VAL 147 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1tuf n ASP 148 N 3.61 0.58 -3.46 4.52 -0.08 -1.26 -1.33 116.55 119.12 1tuf n ASP 148 Ca 0.22 -0.55 -0.11 0.00 -1.51 0.00 0.00 54.79 52.84 1tuf n ASP 148 Cb 0.15 1.38 -0.02 0.00 2.34 0.00 0.00 41.12 44.97 1tuf n ASP 148 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1tuf s SER 149 N -3.66 -0.49 0.43 1.67 1.04 -1.26 -3.90 113.70 107.52 1tuf s SER 149 Ca 0.01 0.06 0.11 0.00 0.48 0.00 0.00 55.95 56.61 1tuf s SER 149 Cb 0.15 0.51 0.92 0.00 0.10 0.00 0.00 66.02 67.70 1tuf s SER 149 CO 0.88 -0.80 2.00 0.40 0.98 0.00 0.00 173.24 176.70 1tuf h ILE 150 N 2.08 1.12 -0.55 -1.02 2.04 -1.96 -0.62 117.51 118.60 1tuf h ILE 150 Ca -0.29 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 1tuf h ILE 150 Cb 1.27 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 1tuf h ILE 150 CO 0.35 0.16 0.17 -1.28 0.00 0.00 0.00 178.15 177.55 1tuf h SER 151 N 0.22 0.77 -0.13 1.72 0.87 -2.00 -1.91 113.55 113.08 1tuf h SER 151 Ca 0.05 -0.12 -0.18 0.00 -1.23 0.00 0.00 61.79 60.31 1tuf h SER 151 Cb 0.20 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1tuf h SER 151 CO 0.01 0.73 -0.57 -0.08 -0.53 0.00 0.00 176.83 176.38 1tuf h GLU 152 N 0.81 0.73 0.00 2.24 4.81 -1.54 -2.67 114.58 118.96 1tuf h GLU 152 Ca 0.18 -0.48 0.02 0.00 -0.13 0.00 0.00 59.36 58.96 1tuf h GLU 152 Cb 0.24 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1tuf h GLU 152 CO -0.01 1.10 -0.14 1.25 -0.73 0.00 0.00 179.01 180.48 1tuf h LEU 153 N 0.55 -0.41 -0.62 1.64 6.46 -0.83 0.15 115.31 122.24 1tuf h LEU 153 Ca 0.01 0.06 0.04 0.00 -0.12 0.00 0.00 57.88 57.86 1tuf h LEU 153 Cb 1.16 0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 41.22 1tuf h LEU 153 CO 0.12 -0.20 0.37 0.40 -0.62 0.00 0.00 178.44 178.51 1tuf h ILE 154 N -0.24 1.04 -0.14 4.05 2.04 -1.37 -0.86 117.51 122.04 1tuf h ILE 154 Ca 0.05 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 1tuf h ILE 154 Cb 0.30 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1tuf h ILE 154 CO -0.13 0.13 0.08 0.25 0.00 0.00 0.00 178.15 178.48 1tuf h LEU 155 N 0.72 0.17 -0.05 1.44 6.46 -1.08 0.11 115.31 123.08 1tuf h LEU 155 Ca 0.26 -0.07 0.02 0.00 -0.12 0.00 0.00 57.88 57.97 1tuf h LEU 155 Cb 0.06 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 39.92 1tuf h LEU 155 CO -0.12 0.19 -0.10 0.40 -0.62 0.00 0.00 178.44 178.19 1tuf h ILE 156 N 0.14 0.73 -0.02 4.05 2.04 -0.20 0.99 117.51 125.24 1tuf h ILE 156 Ca 0.05 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.92 1tuf h ILE 156 Cb 0.06 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1tuf h ILE 156 CO -0.01 0.00 -0.04 -1.13 0.00 0.00 0.00 178.15 176.97 1tuf h ASN 157 N -0.15 -0.13 -0.89 1.72 -0.73 -1.05 0.16 115.58 114.52 1tuf h ASN 157 Ca 0.05 0.02 0.05 0.00 1.87 0.00 0.00 56.30 58.30 1tuf h ASN 157 Cb 0.22 0.06 -0.06 0.00 0.27 0.00 0.00 38.32 38.82 1tuf h ASN 157 CO -0.14 -0.07 0.57 -0.33 -0.37 0.00 0.00 177.43 177.09 1tuf h GLU 158 N -0.07 1.03 -0.44 6.67 4.39 -0.52 0.78 114.58 126.42 1tuf h GLU 158 Ca 0.03 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.55 1tuf h GLU 158 Cb 0.10 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 1tuf h GLU 158 CO -0.06 0.68 -0.16 1.15 -1.16 0.00 0.00 179.01 179.46 1tuf h THR 159 N 1.06 1.27 -0.23 1.13 2.02 -0.33 -2.11 112.91 115.73 1tuf h THR 159 Ca 0.37 -1.30 -0.07 0.00 0.77 0.00 0.00 66.41 66.18 1tuf h THR 159 Cb 0.10 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1tuf h THR 159 CO -0.15 0.44 -0.18 0.00 0.37 0.00 0.00 175.52 176.00 1tuf h ALA 160 N 0.85 1.27 0.95 6.16 0.00 -0.26 -1.90 119.26 126.33 1tuf h ALA 160 Ca 0.10 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1tuf h ALA 160 Cb 0.72 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1tuf h ALA 160 CO 0.05 0.48 -0.46 -0.22 0.00 0.00 0.00 179.25 179.11 1tuf h LYS 161 N 0.36 -1.23 -0.88 0.00 3.64 -0.48 0.47 116.57 118.45 1tuf h LYS 161 Ca 0.06 0.08 0.17 0.00 -1.27 0.00 0.00 60.65 59.69 1tuf h LYS 161 Cb 0.53 0.28 -0.07 0.00 -0.41 0.00 0.00 32.23 32.56 1tuf h LYS 161 CO 0.03 -0.82 0.57 0.93 -2.27 0.00 0.00 179.45 177.90 1tuf h GLU 162 N -1.33 0.54 0.00 1.90 5.08 -1.29 0.24 114.58 119.72 1tuf h GLU 162 Ca -0.13 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1tuf h GLU 162 Cb 0.98 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1tuf h GLU 162 CO 0.21 0.36 0.00 -0.07 -1.00 0.00 0.00 179.01 178.51 1tuf h LEU 163 N 0.56 0.00 -1.06 1.33 3.38 -1.14 -3.47 115.31 114.91 1tuf h LEU 163 Ca 0.45 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.24 1tuf h LEU 163 Cb 0.89 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.71 1tuf h LEU 163 CO -0.19 0.00 -0.32 0.61 0.09 0.00 0.00 178.44 178.63 1tuf n GLY 164 N 1.14 0.24 3.28 0.83 0.00 0.86 -5.03 105.19 106.51 1tuf n GLY 164 Ca 0.05 -0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 1tuf n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tuf s GLU 165 N -5.46 1.52 -0.10 1.61 0.41 -0.26 -5.04 118.70 111.38 1tuf s GLU 165 Ca 0.23 -1.79 0.02 0.00 -0.41 0.00 0.00 54.97 53.02 1tuf s GLU 165 Cb -0.10 0.32 -0.02 0.00 -1.78 0.00 0.00 34.13 32.55 1tuf s GLU 165 CO 0.33 -0.55 -0.15 0.99 -0.49 0.00 0.00 175.26 175.39 1tuf s THR 166 N -3.75 2.90 -0.18 3.63 2.01 -1.26 -4.31 115.64 114.69 1tuf s THR 166 Ca 0.38 -0.74 -0.07 0.00 0.31 0.00 0.00 61.69 61.57 1tuf s THR 166 Cb 0.04 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 1tuf s THR 166 CO 0.19 0.55 0.07 0.00 -0.69 0.00 0.00 174.62 174.74 1tuf s ALA 167 N 0.02 3.44 -0.06 7.40 0.00 -0.81 -4.94 121.76 126.80 1tuf s ALA 167 Ca -0.05 -0.74 -0.28 0.00 0.00 0.00 0.00 51.96 50.89 1tuf s ALA 167 Cb -0.14 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.04 1tuf s ALA 167 CO 0.04 0.22 0.92 -0.80 0.00 0.00 0.00 175.76 176.14 1tuf s ASN 168 N 0.24 7.22 0.00 0.00 0.01 -1.26 -0.59 114.94 120.56 1tuf s ASN 168 Ca 0.04 1.49 0.03 0.00 -0.71 0.00 0.00 52.86 53.71 1tuf s ASN 168 Cb -0.12 -2.52 -0.01 0.00 0.41 0.00 0.00 41.25 39.00 1tuf s ASN 168 CO 0.00 -0.29 -0.10 0.68 -1.51 0.00 0.00 177.10 175.88 1tuf s VAL 169 N 1.34 0.81 0.35 1.60 -7.23 -0.29 -0.86 120.40 116.12 1tuf s VAL 169 Ca 0.47 -0.56 0.07 0.00 -1.81 0.00 0.00 61.98 60.15 1tuf s VAL 169 Cb -0.19 -0.70 -0.07 0.00 0.56 0.00 0.00 36.38 35.98 1tuf s VAL 169 CO 0.22 0.14 -0.02 0.00 -0.31 0.00 0.00 175.10 175.13 1tuf s ALA 170 N -0.41 2.80 -0.13 1.32 0.00 0.22 -0.36 121.76 125.20 1tuf s ALA 170 Ca 0.02 -2.13 0.00 0.00 0.00 0.00 0.00 51.96 49.86 1tuf s ALA 170 Cb -0.05 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.31 1tuf s ALA 170 CO -0.00 -0.10 -0.13 -0.06 0.00 0.00 0.00 175.76 175.47 1tuf s PHE 171 N -2.86 1.98 -0.43 0.00 0.40 -0.48 -0.33 117.98 116.27 1tuf s PHE 171 Ca 0.34 -1.06 -0.29 0.00 -0.60 0.00 0.00 56.93 55.32 1tuf s PHE 171 Cb 0.07 -1.48 0.02 0.00 0.51 0.00 0.00 43.02 42.14 1tuf s PHE 171 CO 0.16 -0.60 1.20 0.50 0.70 0.00 0.00 175.22 177.18 1tuf s ARG 172 N 1.43 3.76 0.24 0.44 3.52 -0.45 -0.27 118.95 127.63 1tuf s ARG 172 Ca 0.03 0.78 0.07 0.00 -0.13 0.00 0.00 55.73 56.47 1tuf s ARG 172 Cb -0.13 -3.90 -0.04 0.00 -1.56 0.00 0.00 34.95 29.32 1tuf s ARG 172 CO -0.08 -1.32 0.17 0.96 -0.81 0.00 0.00 175.30 174.21 1tuf s ILE 173 N 4.52 4.35 -0.33 4.11 -4.36 0.18 0.05 121.20 129.72 1tuf s ILE 173 Ca 0.51 -1.41 0.03 0.00 -0.26 0.00 0.00 60.65 59.52 1tuf s ILE 173 Cb -0.10 -3.32 0.09 0.00 1.25 0.00 0.00 42.46 40.37 1tuf s ILE 173 CO 0.29 -0.31 0.03 0.20 0.24 0.00 0.00 174.94 175.38 1tuf s ASN 174 N -3.70 4.76 0.70 4.36 0.01 -0.53 -4.57 114.94 115.97 1tuf s ASN 174 Ca 0.32 -1.90 -0.16 0.00 -0.71 0.00 0.00 52.86 50.42 1tuf s ASN 174 Cb -0.08 -1.64 0.02 0.00 0.41 0.00 0.00 41.25 39.96 1tuf s ASN 174 CO 0.24 -0.35 1.19 -2.84 -1.51 0.00 0.00 177.10 173.83 1tuf s PRO 175 N 1.00 2.39 -1.41 -0.60 0.02 -1.26 -2.64 135.00 132.50 1tuf s PRO 175 Ca 0.05 1.70 -0.15 0.00 0.02 0.00 0.00 61.00 62.62 1tuf s PRO 175 Cb -0.20 -1.87 0.03 0.00 0.02 0.00 0.00 34.50 32.49 1tuf s PRO 175 CO -0.06 -1.63 2.16 -1.71 -0.33 0.00 0.00 177.00 175.42 1tuf n ASN 176 N -2.50 3.93 -4.77 2.53 5.15 -1.26 -4.93 115.26 113.42 1tuf n ASN 176 Ca 0.13 -2.84 -0.41 0.00 -0.60 0.00 0.00 54.58 50.86 1tuf n ASN 176 Cb 0.50 -1.65 -0.01 0.00 -0.53 0.00 0.00 39.78 38.10 1tuf n ASN 176 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1tuf s VAL 177 N 3.44 2.22 0.01 3.44 1.01 -1.26 -4.94 120.40 124.32 1tuf s VAL 177 Ca 0.48 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.37 1tuf s VAL 177 Cb 0.13 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.32 1tuf s VAL 177 CO -0.06 0.04 1.47 0.21 0.00 0.00 0.00 175.10 176.76 1tuf s ASN 178 N 0.05 6.78 0.23 3.32 3.84 -1.26 -4.76 114.94 123.14 1tuf s ASN 178 Ca 0.56 2.20 -0.07 0.00 0.21 0.00 0.00 52.86 55.76 1tuf s ASN 178 Cb -0.45 -2.56 0.33 0.00 -0.55 0.00 0.00 41.25 38.02 1tuf s ASN 178 CO 0.55 -0.77 1.79 -0.65 -2.79 0.00 0.00 177.10 175.23 1tuf h PRO 179 N 8.04 0.61 0.27 0.43 0.11 -1.92 -3.00 132.00 136.54 1tuf h PRO 179 Ca -0.39 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 1tuf h PRO 179 Cb 1.18 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1tuf h PRO 179 CO 0.91 0.41 -0.13 0.87 -0.21 0.00 0.00 178.00 179.85 1tuf h LYS 180 N 0.63 -0.34 0.00 1.05 1.79 -1.95 -2.42 116.57 115.33 1tuf h LYS 180 Ca 0.35 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 1tuf h LYS 180 Cb 0.34 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1tuf h LYS 180 CO -0.25 -0.12 0.00 0.25 -1.08 0.00 0.00 179.45 178.24 1tuf n THR 181 N -5.18 0.00 -3.87 -0.16 -2.24 -1.14 -4.17 114.28 97.53 1tuf n THR 181 Ca -0.10 1.16 -0.30 0.00 -2.27 0.00 0.00 64.05 62.55 1tuf n THR 181 Cb 0.21 -1.88 -0.11 0.00 -2.10 0.00 0.00 70.33 66.44 1tuf n THR 181 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1tuf s HIS 182 N -1.64 3.56 0.19 4.78 3.76 -1.17 -4.99 115.29 119.77 1tuf s HIS 182 Ca 0.00 -3.26 -0.25 0.00 -0.15 0.00 0.00 55.06 51.41 1tuf s HIS 182 Cb 0.00 -2.82 0.08 0.00 1.11 0.00 0.00 32.58 30.95 1tuf s HIS 182 CO 0.00 -0.61 1.55 -1.35 -0.85 0.00 0.00 174.74 173.48 1tuf h PRO 183 N 5.69 -0.06 0.15 8.40 0.11 -1.59 0.34 132.00 145.03 1tuf h PRO 183 Ca 0.11 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.23 1tuf h PRO 183 Cb 0.79 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 1tuf h PRO 183 CO 0.73 -0.04 -0.16 0.87 -0.21 0.00 0.00 178.00 179.19 1tuf h LYS 184 N -0.06 -0.33 -0.87 1.05 1.57 -1.94 -1.09 116.57 114.89 1tuf h LYS 184 Ca 0.24 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.08 1tuf h LYS 184 Cb 0.52 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.85 1tuf h LYS 184 CO -0.90 -0.22 0.56 0.82 -0.57 0.00 0.00 179.45 179.14 1tuf h ILE 185 N -0.35 1.11 0.16 1.86 5.03 -1.72 -2.39 117.51 121.23 1tuf h ILE 185 Ca 0.01 -0.37 -0.01 0.00 -0.12 0.00 0.00 64.86 64.38 1tuf h ILE 185 Cb 0.34 -0.04 0.00 0.00 -3.03 0.00 0.00 36.82 34.09 1tuf h ILE 185 CO -0.06 0.19 -0.08 -1.28 -0.68 0.00 0.00 178.15 176.25 1tuf h SER 186 N 1.06 -0.19 -0.23 1.72 0.87 -0.64 -2.85 113.55 113.30 1tuf h SER 186 Ca 0.36 -0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.82 1tuf h SER 186 Cb 0.05 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1tuf h SER 186 CO -0.13 -0.01 0.15 0.74 -0.53 0.00 0.00 176.83 177.05 1tuf h THR 187 N -0.36 1.04 0.19 2.23 2.02 -1.06 -2.97 112.91 114.00 1tuf h THR 187 Ca -0.02 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1tuf h THR 187 Cb 0.28 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1tuf h THR 187 CO 0.04 0.05 -0.09 1.23 0.37 0.00 0.00 175.52 177.12 1tuf h GLY 188 N 0.29 -0.26 -0.02 2.16 0.00 -1.33 -0.43 103.07 103.47 1tuf h GLY 188 Ca 0.09 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1tuf h GLY 188 CO -0.02 -0.09 0.00 1.04 0.00 0.00 0.00 176.54 177.47 1tuf n LEU 189 N -5.03 0.00 0.00 3.11 4.77 -1.08 -1.65 117.00 117.12 1tuf n LEU 189 Ca -0.09 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1tuf n LEU 189 Cb 0.24 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1tuf n LEU 189 CO 0.31 0.00 -0.31 0.29 -1.33 0.00 0.00 177.39 176.35 1tuf n LYS 190 N -0.49 0.00 0.01 3.23 5.02 -1.12 -4.86 118.16 119.95 1tuf n LYS 190 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 1tuf n LYS 190 Cb 0.00 -0.77 -0.06 0.00 -0.02 0.00 0.00 35.03 34.18 1tuf n LYS 190 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1tuf n LYS 191 N -2.18 0.21 -1.93 1.97 5.02 -0.19 -4.98 118.16 116.09 1tuf n LYS 191 Ca 0.00 -0.04 -0.30 0.00 -2.02 0.00 0.00 58.31 55.95 1tuf n LYS 191 Cb 0.31 -1.53 0.17 0.00 -0.02 0.00 0.00 35.03 33.96 1tuf n LYS 191 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1tuf s ASN 192 N -3.57 3.34 0.00 4.39 0.02 -0.66 -5.01 114.94 113.45 1tuf s ASN 192 Ca 0.04 0.35 0.25 0.00 -1.02 0.00 0.00 52.86 52.48 1tuf s ASN 192 Cb 0.15 -0.46 0.53 0.00 0.02 0.00 0.00 41.25 41.49 1tuf s ASN 192 CO 0.85 -2.60 1.42 2.29 0.02 0.00 0.00 177.10 179.07 1tuf n LYS 193 N -3.70 0.86 -3.08 -0.60 2.85 -1.26 -4.97 118.16 108.26 1tuf n LYS 193 Ca 0.14 -0.58 -0.28 0.00 -1.05 0.00 0.00 58.31 56.54 1tuf n LYS 193 Cb 0.60 -1.49 -0.02 0.00 -0.65 0.00 0.00 35.03 33.47 1tuf n LYS 193 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1tuf s PHE 194 N -2.54 3.50 0.27 5.58 0.08 -1.26 -4.93 117.98 118.68 1tuf s PHE 194 Ca 0.22 0.74 0.00 0.00 0.12 0.00 0.00 56.93 58.01 1tuf s PHE 194 Cb 0.19 -2.20 0.00 0.00 -0.57 0.00 0.00 43.02 40.43 1tuf s PHE 194 CO 0.55 0.00 0.00 0.41 -0.10 0.00 0.00 175.22 176.09 1tuf n GLY 195 N -1.41 -2.01 3.36 4.36 0.00 -1.25 -4.88 105.19 103.36 1tuf n GLY 195 Ca -0.01 -1.26 -0.35 0.00 0.00 0.00 0.00 46.02 44.40 1tuf n GLY 195 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tuf s LEU 196 N -5.95 3.09 0.25 0.99 1.43 0.11 -4.78 118.68 113.82 1tuf s LEU 196 Ca 0.00 -0.32 -0.31 0.00 -1.03 0.00 0.00 54.13 52.47 1tuf s LEU 196 Cb 0.00 -1.80 -0.13 0.00 0.03 0.00 0.00 46.19 44.29 1tuf s LEU 196 CO 0.00 -0.01 1.49 -0.67 0.23 0.00 0.00 176.35 177.39 1tuf n ASP 197 N 4.77 3.17 -0.08 2.29 4.64 -1.26 -1.45 116.55 128.62 1tuf n ASP 197 Ca -0.17 1.14 -0.13 0.00 -1.38 0.00 0.00 54.79 54.24 1tuf n ASP 197 Cb 0.51 -1.49 -0.07 0.00 -1.04 0.00 0.00 41.12 39.03 1tuf n ASP 197 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 1tuf h VAL 198 N 3.21 0.66 -0.72 5.18 2.07 -1.86 0.14 116.25 124.92 1tuf h VAL 198 Ca -0.46 -1.71 0.13 0.00 0.82 0.00 0.00 66.70 65.48 1tuf h VAL 198 Cb 1.26 1.46 -0.13 0.00 -1.52 0.00 0.00 31.29 32.35 1tuf h VAL 198 CO 0.78 0.22 -0.30 -0.08 0.02 0.00 0.00 177.57 178.22 1tuf h GLU 199 N -1.00 -0.08 0.00 1.57 4.81 -1.92 0.15 114.58 118.11 1tuf h GLU 199 Ca -0.16 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1tuf h GLU 199 Cb 0.87 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1tuf h GLU 199 CO -0.09 -0.05 0.00 -1.13 -0.73 0.00 0.00 179.01 177.00 1tuf n SER 200 N -5.47 0.00 0.00 1.04 3.41 -1.26 -4.85 113.62 106.49 1tuf n SER 200 Ca 0.07 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1tuf n SER 200 Cb 0.38 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1tuf n SER 200 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tuf n GLY 201 N -0.01 0.94 0.28 5.00 0.00 0.53 -4.94 105.19 107.00 1tuf n GLY 201 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 1tuf n GLY 201 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1tuf h ILE 202 N 0.00 1.19 -0.01 -0.61 2.04 -1.68 -0.80 117.51 117.64 1tuf h ILE 202 Ca 0.00 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.51 1tuf h ILE 202 Cb 0.00 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 1tuf h ILE 202 CO 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 178.15 178.31 1tuf h ALA 203 N 1.26 -0.02 -0.21 1.87 0.00 -0.92 0.32 119.26 121.55 1tuf h ALA 203 Ca 0.26 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1tuf h ALA 203 Cb -0.10 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1tuf h ALA 203 CO -0.06 -0.52 0.05 1.98 0.00 0.00 0.00 179.25 180.70 1tuf h MET 204 N -0.05 0.13 -0.53 0.00 1.85 -1.78 -1.84 114.93 112.71 1tuf h MET 204 Ca 0.02 -0.01 0.07 0.00 -0.61 0.00 0.00 59.70 59.17 1tuf h MET 204 Cb 0.07 -0.03 -0.06 0.00 0.43 0.00 0.00 31.60 32.01 1tuf h MET 204 CO -0.04 0.09 0.20 -0.22 -0.40 0.00 0.00 176.91 176.54 1tuf h LYS 205 N 0.13 0.37 -0.45 0.39 3.64 -0.79 -0.07 116.57 119.80 1tuf h LYS 205 Ca 0.10 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1tuf h LYS 205 Cb 0.09 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1tuf h LYS 205 CO -0.12 0.25 0.25 0.00 -2.27 0.00 0.00 179.45 177.56 1tuf h ALA 206 N 1.35 0.57 -0.23 5.00 0.00 -0.54 -1.35 119.26 124.06 1tuf h ALA 206 Ca 0.26 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1tuf h ALA 206 Cb 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1tuf h ALA 206 CO -0.25 0.09 0.00 0.82 0.00 0.00 0.00 179.25 179.90 1tuf h ILE 207 N 0.59 1.25 -0.73 0.00 2.04 -0.84 -0.40 117.51 119.43 1tuf h ILE 207 Ca 0.16 -0.88 0.05 0.00 1.00 0.00 0.00 64.86 65.19 1tuf h ILE 207 Cb 0.04 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 1tuf h ILE 207 CO -0.03 0.27 0.48 0.11 0.00 0.00 0.00 178.15 178.98 1tuf h LYS 208 N 0.17 0.80 -0.36 2.37 1.57 -0.96 -1.72 116.57 118.44 1tuf h LYS 208 Ca 0.07 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1tuf h LYS 208 Cb 0.40 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1tuf h LYS 208 CO 0.01 0.53 -0.19 1.98 -0.57 0.00 0.00 179.45 181.21 1tuf h MET 209 N 0.83 0.76 -0.78 3.15 4.05 -0.91 -3.06 114.93 118.98 1tuf h MET 209 Ca 0.30 -0.34 -0.02 0.00 -0.28 0.00 0.00 59.70 59.36 1tuf h MET 209 Cb 0.15 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.89 1tuf h MET 209 CO -0.09 0.96 0.42 0.00 0.23 0.00 0.00 176.91 178.43 1tuf h ALA 210 N 0.78 1.28 0.00 0.39 0.00 -0.31 -2.09 119.26 119.32 1tuf h ALA 210 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1tuf h ALA 210 Cb 0.74 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1tuf h ALA 210 CO 0.06 0.58 0.00 -0.07 0.00 0.00 0.00 179.25 179.82 1tuf h LEU 211 N 1.09 0.00 0.00 0.00 3.38 -1.23 -1.71 115.31 116.84 1tuf h LEU 211 Ca 0.27 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.99 1tuf h LEU 211 Cb 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1tuf h LEU 211 CO -0.04 0.00 -1.76 -0.62 0.09 0.00 0.00 178.44 176.10 1tuf n GLU 212 N -2.49 0.64 -2.03 1.13 -0.58 -0.79 -4.92 120.64 111.60 1tuf n GLU 212 Ca -0.01 0.19 -0.38 0.00 -0.42 0.00 0.00 57.16 56.54 1tuf n GLU 212 Cb 0.09 -1.73 0.01 0.00 -0.57 0.00 0.00 31.44 29.24 1tuf n GLU 212 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1tuf s MET 213 N -2.72 3.60 0.00 3.49 -1.94 -0.64 -4.94 119.30 116.14 1tuf s MET 213 Ca -0.05 2.05 0.24 0.00 -1.71 0.00 0.00 55.69 56.22 1tuf s MET 213 Cb 0.08 -2.45 0.34 0.00 2.01 0.00 0.00 34.83 34.81 1tuf s MET 213 CO 0.83 -0.76 1.30 -1.91 -0.01 0.00 0.00 175.02 174.46 1tuf n GLU 214 N -0.50 0.55 -0.39 2.03 2.13 -1.26 -4.31 120.64 118.88 1tuf n GLU 214 Ca 0.07 -0.39 0.07 0.00 0.66 0.00 0.00 57.16 57.57 1tuf n GLU 214 Cb 0.46 -1.49 0.19 0.00 0.27 0.00 0.00 31.44 30.86 1tuf n GLU 214 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1tuf n TYR 215 N -0.89 0.24 -4.21 4.31 4.02 -1.26 -5.00 117.16 114.37 1tuf n TYR 215 Ca 0.08 -1.24 -0.18 0.00 -0.01 0.00 0.00 57.90 56.55 1tuf n TYR 215 Cb 0.37 -0.25 -0.12 0.00 -0.02 0.00 0.00 39.34 39.33 1tuf n TYR 215 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1tuf s VAL 216 N -3.05 1.22 -0.29 -0.72 -7.23 -1.26 -1.93 120.40 107.14 1tuf s VAL 216 Ca 0.37 -1.51 0.01 0.00 -1.81 0.00 0.00 61.98 59.04 1tuf s VAL 216 Cb 0.33 -1.30 0.09 0.00 0.56 0.00 0.00 36.38 36.06 1tuf s VAL 216 CO -0.00 -0.31 0.04 0.21 -0.31 0.00 0.00 175.10 174.72 1tuf s ASN 217 N -2.08 4.07 -0.16 4.85 3.04 0.24 -4.87 114.94 120.02 1tuf s ASN 217 Ca 0.03 -1.56 -0.29 0.00 0.04 0.00 0.00 52.86 51.08 1tuf s ASN 217 Cb -0.07 -1.11 -0.05 0.00 -1.54 0.00 0.00 41.25 38.47 1tuf s ASN 217 CO 0.02 -0.35 2.00 -0.69 -3.04 0.00 0.00 177.10 175.05 1tuf s VAL 218 N 1.40 3.18 -0.09 -5.21 1.01 -1.26 -1.13 120.40 118.30 1tuf s VAL 218 Ca 0.05 0.20 0.14 0.00 0.00 0.00 0.00 61.98 62.37 1tuf s VAL 218 Cb -0.18 -3.20 -0.21 0.00 0.00 0.00 0.00 36.38 32.79 1tuf s VAL 218 CO -0.14 -0.10 0.17 0.52 0.00 0.00 0.00 175.10 175.55 1tuf n VAL 219 N 6.89 0.59 -3.54 2.92 0.31 0.52 -4.82 118.33 121.21 1tuf n VAL 219 Ca 0.24 -0.52 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1tuf n VAL 219 Cb 0.44 -0.30 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 1tuf n VAL 219 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1tuf n GLY 220 N 1.89 -0.89 3.47 2.92 0.00 -1.24 -0.23 105.19 111.10 1tuf n GLY 220 Ca -0.15 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 44.68 1tuf n GLY 220 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1tuf s VAL 221 N -3.00 2.47 0.05 1.61 -7.23 -1.00 -1.38 120.40 111.91 1tuf s VAL 221 Ca 0.00 -2.38 -0.01 0.00 -1.81 0.00 0.00 61.98 57.78 1tuf s VAL 221 Cb 0.00 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 1tuf s VAL 221 CO 0.00 -0.38 -0.03 -2.28 -0.31 0.00 0.00 175.10 172.10 1tuf s HIS 222 N -2.45 0.52 -0.28 2.82 5.04 0.63 -1.37 115.29 120.20 1tuf s HIS 222 Ca 0.29 -1.00 -0.23 0.00 -1.54 0.00 0.00 55.06 52.58 1tuf s HIS 222 Cb -0.05 -0.38 0.11 0.00 0.04 0.00 0.00 32.58 32.30 1tuf s HIS 222 CO 0.15 -0.34 0.93 0.00 -2.34 0.00 0.00 174.74 173.13 1tuf s HIS 224 N 0.57 0.36 -1.30 0.00 5.04 -1.26 -1.91 115.29 116.79 1tuf s HIS 224 Ca -0.01 0.03 0.20 0.00 -1.54 0.00 0.00 55.06 53.74 1tuf s HIS 224 Cb -0.05 -0.59 -0.13 0.00 0.04 0.00 0.00 32.58 31.85 1tuf s HIS 224 CO -0.07 -0.23 0.90 0.44 -2.34 0.00 0.00 174.74 173.43 1tuf n ILE 225 N 4.98 0.00 -3.19 0.89 -5.35 -1.26 -5.03 119.36 110.39 1tuf n ILE 225 Ca -0.10 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 1tuf n ILE 225 Cb 0.50 1.10 0.00 0.00 -1.74 0.00 0.00 39.64 39.50 1tuf n ILE 225 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1tuf n GLY 226 N 1.41 -0.62 3.08 3.28 0.00 -1.26 -4.82 105.19 106.26 1tuf n GLY 226 Ca 0.06 -1.33 -0.09 0.00 0.00 0.00 0.00 46.02 44.66 1tuf n GLY 226 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tuf s SER 227 N -4.00 0.22 -1.36 1.61 0.15 -1.26 -3.73 113.70 105.33 1tuf s SER 227 Ca 0.00 -0.56 -0.04 0.00 0.70 0.00 0.00 55.95 56.05 1tuf s SER 227 Cb 0.00 0.19 0.02 0.00 -1.71 0.00 0.00 66.02 64.52 1tuf s SER 227 CO 0.00 -0.45 0.86 1.67 1.20 0.00 0.00 173.24 176.51 1tuf n GLN 228 N 0.96 -5.59 -3.11 5.44 -0.06 -0.85 -4.94 117.38 109.23 1tuf n GLN 228 Ca -0.20 0.66 -0.40 0.00 -2.00 0.00 0.00 57.00 55.06 1tuf n GLN 228 Cb 0.58 -5.42 -0.06 0.00 -4.06 0.00 0.00 30.24 21.28 1tuf n GLN 228 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1tuf s LEU 229 N -6.85 4.11 -0.40 1.69 1.43 0.15 -4.56 118.68 114.25 1tuf s LEU 229 Ca 0.23 0.78 0.05 0.00 -1.03 0.00 0.00 54.13 54.16 1tuf s LEU 229 Cb -0.11 -2.88 0.50 0.00 0.03 0.00 0.00 46.19 43.73 1tuf s LEU 229 CO 0.80 -0.32 1.59 0.35 0.23 0.00 0.00 176.35 179.00 1tuf n THR 230 N 4.92 2.88 -3.77 5.49 -2.24 -1.26 -0.41 114.28 119.89 1tuf n THR 230 Ca -0.01 -3.05 -0.14 0.00 -2.27 0.00 0.00 64.05 58.57 1tuf n THR 230 Cb 0.49 -0.73 -0.16 0.00 -2.10 0.00 0.00 70.33 67.84 1tuf n THR 230 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1tuf s ASP 231 N -2.48 0.03 0.26 3.42 -1.08 -1.26 -4.56 116.67 110.99 1tuf s ASP 231 Ca 0.52 0.09 0.13 0.00 -0.52 0.00 0.00 52.55 52.77 1tuf s ASP 231 Cb 0.44 -0.01 0.19 0.00 -1.46 0.00 0.00 42.92 42.08 1tuf s ASP 231 CO 0.02 -0.12 1.50 -0.29 0.52 0.00 0.00 175.17 176.79 1tuf h ILE 232 N 6.14 1.19 -0.67 4.11 6.09 -1.97 -3.35 117.51 129.06 1tuf h ILE 232 Ca -0.43 -2.36 0.13 0.00 -1.37 0.00 0.00 64.86 60.83 1tuf h ILE 232 Cb 1.13 2.38 -0.13 0.00 0.47 0.00 0.00 36.82 40.67 1tuf h ILE 232 CO 0.47 0.61 -0.16 -1.28 -3.07 0.00 0.00 178.15 174.72 1tuf h SER 233 N 0.00 -0.60 -0.37 2.19 0.87 -2.00 -1.47 113.55 112.17 1tuf h SER 233 Ca -0.01 0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1tuf h SER 233 Cb 1.33 0.41 -0.02 0.00 -0.44 0.00 0.00 62.40 63.68 1tuf h SER 233 CO 0.08 -0.22 0.23 -0.65 -0.53 0.00 0.00 176.83 175.75 1tuf h PRO 234 N 0.00 0.51 -0.14 2.24 0.11 -2.01 -2.16 132.00 130.55 1tuf h PRO 234 Ca 0.32 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.27 1tuf h PRO 234 Cb 0.49 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 1tuf h PRO 234 CO -0.68 0.36 -0.45 0.74 -0.21 0.00 0.00 178.00 177.75 1tuf h PHE 235 N 0.52 0.42 -0.06 0.65 0.04 -1.50 -1.07 116.94 115.95 1tuf h PHE 235 Ca 0.14 -0.13 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 1tuf h PHE 235 Cb -0.02 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.04 1tuf h PHE 235 CO 0.00 0.74 -0.01 0.82 -0.60 0.00 0.00 178.31 179.26 1tuf h ILE 236 N 0.28 1.28 -0.91 -0.55 2.04 -1.16 -1.28 117.51 117.22 1tuf h ILE 236 Ca 0.02 -0.89 0.03 0.00 1.00 0.00 0.00 64.86 65.03 1tuf h ILE 236 Cb 0.91 1.76 -0.05 0.00 -0.74 0.00 0.00 36.82 38.70 1tuf h ILE 236 CO 0.08 0.24 0.59 -0.08 0.00 0.00 0.00 178.15 178.98 1tuf h GLU 237 N -0.22 1.13 0.04 2.37 4.81 -1.31 -0.89 114.58 120.51 1tuf h GLU 237 Ca 0.02 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1tuf h GLU 237 Cb 0.39 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1tuf h GLU 237 CO 0.01 0.75 -0.02 1.49 -0.73 0.00 0.00 179.01 180.50 1tuf h GLU 238 N 1.16 -0.06 -0.42 1.92 4.81 -1.08 -1.01 114.58 119.91 1tuf h GLU 238 Ca 0.36 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.61 1tuf h GLU 238 Cb -0.01 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1tuf h GLU 238 CO -0.11 0.05 0.25 1.15 -0.73 0.00 0.00 179.01 179.62 1tuf h THR 239 N -0.15 1.06 0.32 0.32 2.02 -0.83 0.42 112.91 116.07 1tuf h THR 239 Ca -0.01 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 1tuf h THR 239 Cb 0.13 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1tuf h THR 239 CO 0.01 0.09 -0.15 -0.09 0.37 0.00 0.00 175.52 175.75 1tuf h ARG 240 N 0.51 -0.42 0.00 6.66 2.43 -1.08 0.14 114.38 122.62 1tuf h ARG 240 Ca 0.16 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 1tuf h ARG 240 Cb -0.00 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1tuf h ARG 240 CO -0.07 -0.25 -0.14 0.87 -1.51 0.00 0.00 179.97 178.86 1tuf h LYS 241 N -0.47 0.00 0.01 0.20 1.57 -0.99 0.18 116.57 117.07 1tuf h LYS 241 Ca -0.04 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.58 1tuf h LYS 241 Cb 0.36 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.68 1tuf h LYS 241 CO 0.07 0.14 -0.61 0.28 -0.57 0.00 0.00 179.45 178.76 1tuf h VAL 242 N 0.00 1.44 -0.15 0.50 2.07 -0.66 -2.97 116.25 116.48 1tuf h VAL 242 Ca -0.00 -2.12 -0.09 0.00 0.82 0.00 0.00 66.70 65.31 1tuf h VAL 242 Cb 0.45 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1tuf h VAL 242 CO 0.02 0.61 -0.29 0.24 0.02 0.00 0.00 177.57 178.17 1tuf h MET 243 N -0.13 0.29 -0.85 1.57 2.86 -0.10 -1.73 114.93 116.84 1tuf h MET 243 Ca -0.08 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1tuf h MET 243 Cb 1.34 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.94 1tuf h MET 243 CO 0.12 0.56 0.45 -0.44 1.06 0.00 0.00 176.91 178.66 1tuf h ASP 244 N 0.25 1.07 -0.67 1.22 3.32 -0.71 -1.06 116.42 119.85 1tuf h ASP 244 Ca 0.04 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 1tuf h ASP 244 Cb 0.65 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 1tuf h ASP 244 CO 0.05 0.88 0.14 0.15 -1.72 0.00 0.00 179.24 178.74 1tuf h PHE 245 N 1.19 1.14 -0.88 4.55 3.57 -1.25 -1.84 116.94 123.42 1tuf h PHE 245 Ca 0.30 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1tuf h PHE 245 Cb 0.06 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 38.43 1tuf h PHE 245 CO 0.01 0.95 0.52 0.28 -2.23 0.00 0.00 178.31 177.84 1tuf h VAL 246 N 1.01 1.25 -0.77 1.41 2.07 -0.74 -0.08 116.25 120.39 1tuf h VAL 246 Ca 0.21 -0.56 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1tuf h VAL 246 Cb 0.40 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 1tuf h VAL 246 CO 0.01 0.26 0.28 0.58 0.02 0.00 0.00 177.57 178.72 1tuf h VAL 247 N 1.22 1.26 -0.68 2.57 2.07 -0.79 0.21 116.25 122.11 1tuf h VAL 247 Ca 0.32 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1tuf h VAL 247 Cb -0.03 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 1tuf h VAL 247 CO -0.06 0.35 0.34 -0.33 0.02 0.00 0.00 177.57 177.88 1tuf h GLU 248 N 1.13 0.98 -0.69 1.57 5.08 -0.46 -1.42 114.58 120.76 1tuf h GLU 248 Ca 0.25 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1tuf h GLU 248 Cb 0.26 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1tuf h GLU 248 CO -0.02 0.77 0.24 -0.07 -1.00 0.00 0.00 179.01 178.93 1tuf h LEU 249 N 0.94 0.97 -0.85 1.33 3.38 -0.44 -2.60 115.31 118.05 1tuf h LEU 249 Ca 0.23 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1tuf h LEU 249 Cb 0.11 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1tuf h LEU 249 CO -0.03 0.89 0.56 0.50 0.09 0.00 0.00 178.44 180.45 1tuf h LYS 250 N 1.02 1.09 0.00 1.13 3.11 -0.08 0.16 116.57 123.00 1tuf h LYS 250 Ca 0.23 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 58.00 1tuf h LYS 250 Cb 0.25 -0.25 0.00 0.00 -1.00 0.00 0.00 32.23 31.24 1tuf h LYS 250 CO -0.01 0.72 0.00 0.39 -2.81 0.00 0.00 179.45 177.74 1tuf n GLU 251 N -4.51 0.05 -0.18 1.90 1.02 -0.62 -1.38 120.64 116.92 1tuf n GLU 251 Ca 0.09 0.17 0.12 0.00 -0.02 0.00 0.00 57.16 57.52 1tuf n GLU 251 Cb 0.03 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.17 1tuf n GLU 251 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1tuf n GLU 252 N -1.46 2.49 -1.36 3.49 -0.58 0.23 -4.92 120.64 118.53 1tuf n GLU 252 Ca 0.05 -2.26 -0.01 0.00 -0.42 0.00 0.00 57.16 54.52 1tuf n GLU 252 Cb 0.20 -1.51 -0.00 0.00 -0.57 0.00 0.00 31.44 29.55 1tuf n GLU 252 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1tuf n GLY 253 N 1.50 0.43 3.23 0.62 0.00 -0.48 -5.03 105.19 105.47 1tuf n GLY 253 Ca 0.19 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 1tuf n GLY 253 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tuf s ILE 254 N -2.06 3.16 0.25 -0.61 1.01 0.29 -4.99 121.20 118.25 1tuf s ILE 254 Ca 0.00 -0.97 -0.08 0.00 0.00 0.00 0.00 60.65 59.59 1tuf s ILE 254 Cb 0.00 -2.63 -0.07 0.00 0.01 0.00 0.00 42.46 39.77 1tuf s ILE 254 CO 0.00 0.14 0.55 -1.61 0.00 0.00 0.00 174.94 174.02 1tuf s GLU 255 N 1.36 3.76 -0.21 2.79 2.02 -1.26 -3.02 118.70 124.14 1tuf s GLU 255 Ca 0.00 0.21 0.02 0.00 0.02 0.00 0.00 54.97 55.22 1tuf s GLU 255 Cb -0.17 -2.64 0.03 0.00 0.10 0.00 0.00 34.13 31.45 1tuf s GLU 255 CO -0.02 0.29 -0.17 0.42 0.02 0.00 0.00 175.26 175.80 1tuf s ILE 256 N -1.89 2.08 -0.07 -1.63 -1.09 -1.26 -4.90 121.20 112.43 1tuf s ILE 256 Ca 0.47 -1.17 -0.22 0.00 -2.23 0.00 0.00 60.65 57.49 1tuf s ILE 256 Cb -0.11 -1.99 -0.17 0.00 -1.58 0.00 0.00 42.46 38.60 1tuf s ILE 256 CO 0.24 0.34 0.83 -0.08 -1.23 0.00 0.00 174.94 175.04 1tuf h GLU 257 N 7.89 -0.12 -6.59 2.79 4.81 -1.78 -3.42 114.58 118.16 1tuf h GLU 257 Ca -0.36 0.01 -0.65 0.00 -0.13 0.00 0.00 59.36 58.22 1tuf h GLU 257 Cb 1.10 0.03 -0.17 0.00 0.63 0.00 0.00 28.75 30.34 1tuf h GLU 257 CO 0.57 0.41 -0.78 -0.51 -0.73 0.00 0.00 179.01 177.98 1tuf s ASP 258 N -5.68 3.89 -0.19 1.04 1.01 0.68 -0.61 116.67 116.80 1tuf s ASP 258 Ca -0.13 -0.66 -0.02 0.00 0.71 0.00 0.00 52.55 52.45 1tuf s ASP 258 Cb -0.00 -0.52 0.06 0.00 1.01 0.00 0.00 42.92 43.46 1tuf s ASP 258 CO 0.51 0.13 0.00 -0.69 0.21 0.00 0.00 175.17 175.34 1tuf s VAL 259 N -1.52 0.82 -0.27 -1.27 1.01 -0.45 -2.39 120.40 116.34 1tuf s VAL 259 Ca 0.21 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 1tuf s VAL 259 Cb -0.09 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1tuf s VAL 259 CO 0.12 -0.12 0.13 0.21 0.00 0.00 0.00 175.10 175.44 1tuf s ASN 260 N 1.73 5.59 -0.03 3.32 3.84 -0.47 -1.29 114.94 127.62 1tuf s ASN 260 Ca -0.02 -0.14 0.21 0.00 0.21 0.00 0.00 52.86 53.12 1tuf s ASN 260 Cb -0.17 -2.02 0.65 0.00 -0.55 0.00 0.00 41.25 39.15 1tuf s ASN 260 CO -0.07 -0.06 1.55 0.18 -2.79 0.00 0.00 177.10 175.91 1tuf n LEU 261 N 4.99 4.13 0.00 3.21 4.77 -0.19 -1.53 117.00 132.39 1tuf n LEU 261 Ca -0.15 -2.13 0.00 0.00 -0.03 0.00 0.00 56.01 53.70 1tuf n LEU 261 Cb 0.51 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1tuf n LEU 261 CO 0.32 0.92 0.00 0.61 -1.33 0.00 0.00 177.39 177.92 1tuf n GLY 262 N 1.42 -0.63 0.00 -0.72 0.00 -0.80 -4.55 105.19 99.90 1tuf n GLY 262 Ca 0.24 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1tuf n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tuf n GLY 263 N 0.00 2.84 0.00 -0.02 0.00 -1.21 -1.49 105.19 105.31 1tuf n GLY 263 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1tuf n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tuf n GLY 264 N 5.00 1.63 3.68 -0.02 0.00 -1.24 -4.67 105.19 109.56 1tuf n GLY 264 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1tuf n GLY 264 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1tuf n LEU 265 N 0.00 3.66 -4.84 0.99 7.94 -1.26 0.34 117.00 123.83 1tuf n LEU 265 Ca 0.00 0.99 -0.31 0.00 -1.11 0.00 0.00 56.01 55.58 1tuf n LEU 265 Cb 0.00 -1.46 0.04 0.00 0.53 0.00 0.00 43.42 42.54 1tuf n LEU 265 CO 0.00 0.01 0.72 -0.83 -1.11 0.00 0.00 177.39 176.18 1tuf s GLY 266 N 3.09 1.65 0.28 -3.96 0.00 0.45 -4.07 107.32 104.77 1tuf s GLY 266 Ca 0.86 -0.07 0.10 0.00 0.00 0.00 0.00 44.72 45.61 1tuf s GLY 266 CO 0.43 0.25 -0.04 -0.26 0.00 0.00 0.00 173.10 173.48 1tuf s ILE 267 N -3.15 3.16 -1.34 0.90 -4.36 -1.26 -4.88 121.20 110.28 1tuf s ILE 267 Ca 0.58 -2.01 -0.16 0.00 -0.26 0.00 0.00 60.65 58.79 1tuf s ILE 267 Cb -0.13 -2.73 0.03 0.00 1.25 0.00 0.00 42.46 40.88 1tuf s ILE 267 CO 0.54 -0.36 2.01 -0.81 0.24 0.00 0.00 174.94 176.56 1tuf n PRO 268 N -0.85 2.83 -0.16 0.37 -0.04 -1.26 -4.69 135.00 131.19 1tuf n PRO 268 Ca -0.06 -2.80 -0.10 0.00 -0.04 0.00 0.00 63.50 60.51 1tuf n PRO 268 Cb 0.60 -3.36 -0.00 0.00 -0.04 0.00 0.00 33.50 30.69 1tuf n PRO 268 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1tuf h TYR 269 N 6.90 0.87 -3.37 0.54 0.05 -1.91 -3.39 116.97 116.67 1tuf h TYR 269 Ca 0.50 -0.15 -0.60 0.00 0.05 0.00 0.00 58.73 58.53 1tuf h TYR 269 Cb 0.74 -0.23 -0.09 0.00 1.01 0.00 0.00 36.73 38.16 1tuf h TYR 269 CO 1.42 0.84 0.30 0.71 -1.05 0.00 0.00 178.16 180.38 1tuf s TYR 270 N -5.02 3.34 -1.20 4.88 2.02 -1.26 -4.32 117.35 115.79 1tuf s TYR 270 Ca -0.13 1.03 0.29 0.00 -0.37 0.00 0.00 57.07 57.89 1tuf s TYR 270 Cb 0.11 -2.93 1.26 0.00 -0.40 0.00 0.00 41.96 39.99 1tuf s TYR 270 CO 0.81 -0.30 1.91 1.63 -1.57 0.00 0.00 175.55 178.03 1tuf n LYS 271 N 5.57 0.20 0.05 -0.62 4.76 -1.26 -3.61 118.16 123.25 1tuf n LYS 271 Ca 0.02 -0.02 -0.19 0.00 -2.87 0.00 0.00 58.31 55.25 1tuf n LYS 271 Cb 0.49 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 32.08 1tuf n LYS 271 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1tuf h ASP 272 N 0.06 0.83 -2.93 4.39 3.32 -1.95 -3.46 116.42 116.68 1tuf h ASP 272 Ca 0.00 -0.68 -0.66 0.00 0.02 0.00 0.00 57.03 55.72 1tuf h ASP 272 Cb 0.42 -0.25 -0.08 0.00 0.22 0.00 0.00 39.33 39.63 1tuf h ASP 272 CO 0.00 1.48 -0.53 -1.59 -1.72 0.00 0.00 179.24 176.87 1tuf s LYS 273 N -3.27 3.25 -0.08 3.56 -2.85 -1.24 -5.09 119.74 114.03 1tuf s LYS 273 Ca -0.09 -0.33 -0.17 0.00 -1.00 0.00 0.00 55.97 54.38 1tuf s LYS 273 Cb 0.07 -3.00 -0.05 0.00 -2.06 0.00 0.00 37.83 32.79 1tuf s LYS 273 CO 0.91 0.70 0.45 1.14 0.10 0.00 0.00 175.35 178.65 1tuf s GLN 274 N -1.48 4.22 0.33 1.78 -2.07 -1.26 -4.91 119.66 116.27 1tuf s GLN 274 Ca 0.21 0.42 0.09 0.00 -1.82 0.00 0.00 55.36 54.25 1tuf s GLN 274 Cb -0.12 -3.37 -0.06 0.00 -1.09 0.00 0.00 33.01 28.37 1tuf s GLN 274 CO 0.11 0.33 -0.08 0.96 -1.32 0.00 0.00 175.29 175.29 1tuf s ILE 275 N 0.07 2.10 0.59 3.63 -4.36 -1.26 -5.11 121.20 116.87 1tuf s ILE 275 Ca 0.25 -2.18 -0.20 0.00 -0.26 0.00 0.00 60.65 58.26 1tuf s ILE 275 Cb -0.16 -2.63 -0.03 0.00 1.25 0.00 0.00 42.46 40.90 1tuf s ILE 275 CO 0.11 -0.21 1.28 -2.84 0.24 0.00 0.00 174.94 173.52 1tuf s PRO 276 N -3.64 2.91 0.50 0.37 0.02 -1.26 -5.04 135.00 128.86 1tuf s PRO 276 Ca 0.32 2.02 0.07 0.00 0.02 0.00 0.00 61.00 63.44 1tuf s PRO 276 Cb 0.03 -2.01 0.03 0.00 0.02 0.00 0.00 34.50 32.57 1tuf s PRO 276 CO 0.16 -1.31 0.51 0.95 -0.33 0.00 0.00 177.00 176.98 1tuf s THR 277 N -1.44 2.19 0.41 0.99 -4.23 -1.26 -4.94 115.64 107.37 1tuf s THR 277 Ca 0.77 -1.29 0.08 0.00 -1.18 0.00 0.00 61.69 60.07 1tuf s THR 277 Cb -0.36 -2.48 0.27 0.00 1.34 0.00 0.00 72.50 71.28 1tuf s THR 277 CO 0.39 0.00 2.05 1.56 -0.54 0.00 0.00 174.62 178.09 1tuf h GLN 278 N 0.69 0.52 -0.73 3.99 7.50 -1.96 -1.36 115.11 123.75 1tuf h GLN 278 Ca -0.37 -0.03 -0.07 0.00 0.50 0.00 0.00 58.65 58.69 1tuf h GLN 278 Cb 1.29 -0.12 -0.03 0.00 0.05 0.00 0.00 27.48 28.67 1tuf h GLN 278 CO 0.52 0.35 0.20 -0.22 -1.50 0.00 0.00 178.83 178.18 1tuf h LYS 279 N 0.54 1.15 -0.28 1.46 1.63 -1.90 0.13 116.57 119.31 1tuf h LYS 279 Ca 0.17 -0.26 -0.11 0.00 -0.85 0.00 0.00 60.65 59.59 1tuf h LYS 279 Cb 0.01 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.47 1tuf h LYS 279 CO -0.04 1.00 -0.28 -0.44 -3.45 0.00 0.00 179.45 176.24 1tuf h ASP 280 N 1.10 0.56 -0.19 4.20 3.32 -1.66 -1.40 116.42 122.35 1tuf h ASP 280 Ca 0.23 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 1tuf h ASP 280 Cb 0.35 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1tuf h ASP 280 CO -0.00 0.82 -0.15 0.25 -1.72 0.00 0.00 179.24 178.44 1tuf h LEU 281 N 0.48 0.47 -0.24 1.55 5.85 -0.74 -1.94 115.31 120.73 1tuf h LEU 281 Ca 0.06 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 1tuf h LEU 281 Cb 0.73 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1tuf h LEU 281 CO 0.06 0.82 0.10 0.00 -0.34 0.00 0.00 178.44 179.08 1tuf h ALA 282 N 0.66 0.32 -0.87 1.25 0.00 -0.66 0.67 119.26 120.62 1tuf h ALA 282 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1tuf h ALA 282 Cb 0.67 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1tuf h ALA 282 CO 0.04 -0.10 0.56 -0.44 0.00 0.00 0.00 179.25 179.31 1tuf h ASP 283 N 0.25 1.01 -0.18 0.00 3.32 -1.28 0.33 116.42 119.86 1tuf h ASP 283 Ca 0.08 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 1tuf h ASP 283 Cb 0.16 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1tuf h ASP 283 CO -0.01 0.75 -0.06 0.00 -1.72 0.00 0.00 179.24 178.20 1tuf h ALA 284 N 1.43 0.26 0.23 3.45 0.00 -1.00 -2.37 119.26 121.25 1tuf h ALA 284 Ca 0.32 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1tuf h ALA 284 Cb -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1tuf h ALA 284 CO -0.07 0.04 -0.11 0.82 0.00 0.00 0.00 179.25 179.94 1tuf h ILE 285 N 0.07 0.70 -0.59 0.00 2.04 -0.49 -2.93 117.51 116.31 1tuf h ILE 285 Ca 0.05 -0.94 0.04 0.00 1.00 0.00 0.00 64.86 65.00 1tuf h ILE 285 Cb 0.51 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 1tuf h ILE 285 CO 0.02 0.17 0.33 0.40 0.00 0.00 0.00 178.15 179.07 1tuf h ILE 286 N -0.87 1.00 -0.54 -0.67 2.04 -0.49 0.91 117.51 118.89 1tuf h ILE 286 Ca -0.03 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1tuf h ILE 286 Cb 0.51 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1tuf h ILE 286 CO 0.05 0.12 0.35 0.78 0.00 0.00 0.00 178.15 179.44 1tuf h ASN 287 N 0.63 0.62 -0.45 1.72 2.35 -1.54 -0.79 115.58 118.13 1tuf h ASN 287 Ca 0.25 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.93 1tuf h ASN 287 Cb 0.11 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1tuf h ASN 287 CO -0.15 0.46 0.09 0.74 -1.65 0.00 0.00 177.43 176.93 1tuf h THR 288 N 0.73 1.24 0.14 2.81 2.02 -1.24 -3.19 112.91 115.41 1tuf h THR 288 Ca 0.20 -0.85 0.02 0.00 0.77 0.00 0.00 66.41 66.54 1tuf h THR 288 Cb -0.07 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 1tuf h THR 288 CO -0.04 0.30 -0.26 0.24 0.37 0.00 0.00 175.52 176.13 1tuf h MET 289 N 0.60 -0.47 -0.01 6.66 2.86 -0.48 -2.45 114.93 121.65 1tuf h MET 289 Ca 0.14 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1tuf h MET 289 Cb 0.35 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 1tuf h MET 289 CO 0.00 -0.31 0.23 -0.07 1.06 0.00 0.00 176.91 177.82 1tuf h LEU 290 N -0.48 0.00 0.00 1.22 3.38 -1.14 -0.63 115.31 117.65 1tuf h LEU 290 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1tuf h LEU 290 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1tuf h LEU 290 CO -0.14 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.68 1tuf n LYS 291 N -2.98 0.03 -0.08 1.13 5.02 -0.92 -2.01 118.16 118.35 1tuf n LYS 291 Ca -0.02 0.25 0.08 0.00 -2.02 0.00 0.00 58.31 56.60 1tuf n LYS 291 Cb 0.28 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 33.91 1tuf n LYS 291 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1tuf n TYR 292 N -1.47 0.21 0.17 2.13 4.02 -0.24 -4.60 117.16 117.37 1tuf n TYR 292 Ca 0.04 -0.17 0.19 0.00 -0.01 0.00 0.00 57.90 57.95 1tuf n TYR 292 Cb 0.15 -0.01 0.77 0.00 -0.02 0.00 0.00 39.34 40.24 1tuf n TYR 292 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1tuf h LYS 293 N 2.92 0.00 0.00 -0.72 2.10 -1.53 0.14 116.57 119.48 1tuf h LYS 293 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1tuf h LYS 293 Cb 0.70 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 1tuf h LYS 293 CO 0.00 0.00 -0.75 -0.44 -2.00 0.00 0.00 179.45 176.26 1tuf h ASP 294 N 0.00 0.00 0.00 7.07 3.45 -1.83 -3.38 116.42 121.74 1tuf h ASP 294 Ca 0.13 -0.14 -0.29 0.00 0.43 0.00 0.00 57.03 57.16 1tuf h ASP 294 Cb 0.91 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 39.63 1tuf h ASP 294 CO -0.00 0.07 -2.13 1.17 -1.57 0.00 0.00 179.24 176.78 1tuf n LYS 295 N -2.33 1.25 -3.96 3.56 0.00 -0.11 -5.02 118.16 111.56 1tuf n LYS 295 Ca 0.02 -0.01 -0.09 0.00 0.00 0.00 0.00 58.31 58.23 1tuf n LYS 295 Cb 0.48 -1.43 -0.10 0.00 0.00 0.00 0.00 35.03 33.99 1tuf n LYS 295 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1tuf s VAL 296 N -2.44 0.14 0.02 3.15 1.01 -0.35 -5.02 120.40 116.90 1tuf s VAL 296 Ca -0.08 -1.14 -0.30 0.00 0.00 0.00 0.00 61.98 60.46 1tuf s VAL 296 Cb 0.05 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 1tuf s VAL 296 CO 0.68 -0.63 1.06 -0.70 0.00 0.00 0.00 175.10 175.52 1tuf s GLU 297 N -2.52 4.51 0.14 2.72 2.12 -1.26 -4.15 118.70 120.25 1tuf s GLU 297 Ca -0.06 1.55 -0.33 0.00 0.36 0.00 0.00 54.97 56.49 1tuf s GLU 297 Cb -0.02 -3.42 -0.13 0.00 0.26 0.00 0.00 34.13 30.82 1tuf s GLU 297 CO -0.04 -0.14 1.67 -1.33 -0.54 0.00 0.00 175.26 174.88 1tuf n MET 298 N 3.96 2.37 -2.94 4.30 2.81 -1.26 -4.95 117.12 121.40 1tuf n MET 298 Ca 0.07 0.86 -0.21 0.00 -1.81 0.00 0.00 57.70 56.61 1tuf n MET 298 Cb 0.49 -2.67 0.07 0.00 -0.71 0.00 0.00 33.22 30.41 1tuf n MET 298 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1tuf s PRO 299 N 1.50 2.13 0.50 0.03 0.04 -1.26 -4.91 135.00 133.03 1tuf s PRO 299 Ca 0.80 -1.55 -0.21 0.00 0.04 0.00 0.00 61.00 60.08 1tuf s PRO 299 Cb -0.62 -2.57 -0.07 0.00 0.04 0.00 0.00 34.50 31.28 1tuf s PRO 299 CO 0.38 -1.02 1.15 -0.80 0.04 0.00 0.00 177.00 176.74 1tuf s ASN 300 N -4.70 5.94 -0.15 6.66 0.01 0.22 -4.79 114.94 118.14 1tuf s ASN 300 Ca 0.63 2.24 -0.03 0.00 -0.71 0.00 0.00 52.86 54.99 1tuf s ASN 300 Cb -0.05 -2.59 -0.02 0.00 0.41 0.00 0.00 41.25 38.99 1tuf s ASN 300 CO 0.40 -1.07 -0.06 -0.22 -1.51 0.00 0.00 177.10 174.64 1tuf s LEU 301 N -3.42 3.13 0.00 0.60 2.96 -0.16 -1.33 118.68 120.46 1tuf s LEU 301 Ca 0.68 -0.17 0.05 0.00 -0.22 0.00 0.00 54.13 54.47 1tuf s LEU 301 Cb -0.26 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 1tuf s LEU 301 CO 0.31 0.17 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.72 1tuf s ILE 302 N 0.32 1.25 0.07 6.68 1.01 -0.41 -0.45 121.20 129.67 1tuf s ILE 302 Ca -0.05 -0.76 0.06 0.00 0.00 0.00 0.00 60.65 59.89 1tuf s ILE 302 Cb -0.14 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 1tuf s ILE 302 CO 0.04 0.28 -0.15 -0.76 0.00 0.00 0.00 174.94 174.35 1tuf s LEU 303 N -0.55 2.27 -0.65 2.97 1.43 -0.80 -1.02 118.68 122.32 1tuf s LEU 303 Ca 0.05 -0.61 0.04 0.00 -1.03 0.00 0.00 54.13 52.59 1tuf s LEU 303 Cb -0.06 -0.58 0.34 0.00 0.03 0.00 0.00 46.19 45.91 1tuf s LEU 303 CO -0.00 -0.04 1.10 -0.62 0.23 0.00 0.00 176.35 177.01 1tuf n GLU 304 N 1.33 3.61 -1.71 1.70 1.02 -0.56 -0.28 120.64 125.76 1tuf n GLU 304 Ca -0.21 -4.83 -0.43 0.00 -0.02 0.00 0.00 57.16 51.67 1tuf n GLU 304 Cb 0.54 -2.28 -0.03 0.00 -0.02 0.00 0.00 31.44 29.65 1tuf n GLU 304 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1tuf n PRO 305 N -0.22 2.59 0.00 3.49 -0.02 -1.25 -3.36 135.00 136.24 1tuf n PRO 305 Ca 0.34 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.75 1tuf n PRO 305 Cb 0.37 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 1tuf n PRO 305 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tuf n GLY 306 N 3.65 0.29 0.27 -1.23 0.00 -1.26 -1.34 105.19 105.57 1tuf n GLY 306 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.21 1tuf n GLY 306 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1tuf h ARG 307 N 0.00 0.45 0.00 1.61 2.43 -1.90 -1.61 114.38 115.37 1tuf h ARG 307 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1tuf h ARG 307 Cb 0.00 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1tuf h ARG 307 CO 0.00 0.30 0.00 -1.13 -1.51 0.00 0.00 179.97 177.63 1tuf n SER 308 N -4.97 0.00 -0.08 -3.80 3.41 -1.26 -1.59 113.62 105.33 1tuf n SER 308 Ca 0.12 -0.42 -0.12 0.00 -0.26 0.00 0.00 58.87 58.19 1tuf n SER 308 Cb 0.35 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.23 1tuf n SER 308 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1tuf n LEU 309 N -0.98 2.66 -0.05 1.04 4.77 -0.61 -4.83 117.00 119.00 1tuf n LEU 309 Ca 0.09 -0.03 -0.04 0.00 -0.03 0.00 0.00 56.01 56.00 1tuf n LEU 309 Cb 0.04 -0.53 -0.08 0.00 -2.33 0.00 0.00 43.42 40.52 1tuf n LEU 309 CO 0.07 0.69 -0.81 1.33 -1.33 0.00 0.00 177.39 177.34 1tuf n VAL 310 N -3.10 0.64 -0.24 4.08 0.24 -1.18 -4.58 118.33 114.20 1tuf n VAL 310 Ca -0.28 -0.40 -0.06 0.00 -2.04 0.00 0.00 64.34 61.55 1tuf n VAL 310 Cb 0.78 -0.72 -0.06 0.00 -1.47 0.00 0.00 33.84 32.38 1tuf n VAL 310 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1tuf n ALA 311 N -2.34 -0.37 0.91 2.33 0.00 -0.62 0.06 120.51 120.48 1tuf n ALA 311 Ca -0.15 0.49 0.07 0.00 0.00 0.00 0.00 53.44 53.85 1tuf n ALA 311 Cb 0.80 0.08 0.43 0.00 0.00 0.00 0.00 19.45 20.75 1tuf n ALA 311 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1tuf n THR 312 N -4.32 0.00 1.05 0.00 -2.24 -1.26 -1.84 114.28 105.67 1tuf n THR 312 Ca 0.01 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.91 1tuf n THR 312 Cb 0.15 -0.77 0.11 0.00 -2.10 0.00 0.00 70.33 67.72 1tuf n THR 312 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tuf n ALA 313 N -0.99 3.81 -2.69 6.98 0.00 0.11 -4.72 120.51 123.00 1tuf n ALA 313 Ca 0.11 -0.50 -0.35 0.00 0.00 0.00 0.00 53.44 52.70 1tuf n ALA 313 Cb 0.05 -0.95 -0.09 0.00 0.00 0.00 0.00 19.45 18.46 1tuf n ALA 313 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1tuf s GLY 314 N -2.78 1.86 -0.03 0.00 0.00 -0.77 -1.18 107.32 104.42 1tuf s GLY 314 Ca 0.15 -0.80 0.01 0.00 0.00 0.00 0.00 44.72 44.07 1tuf s GLY 314 CO 0.68 -0.55 -0.02 -0.19 0.00 0.00 0.00 173.10 173.03 1tuf s TYR 315 N -0.85 0.44 -0.26 1.90 1.51 -0.41 -1.73 117.35 117.95 1tuf s TYR 315 Ca 0.13 -0.07 -0.07 0.00 -1.01 0.00 0.00 57.07 56.05 1tuf s TYR 315 Cb -0.11 -0.45 -0.02 0.00 -0.11 0.00 0.00 41.96 41.27 1tuf s TYR 315 CO 0.02 -0.12 0.07 -1.17 -1.11 0.00 0.00 175.55 173.24 1tuf s LEU 316 N 0.77 3.55 -0.20 -1.29 2.96 -0.87 0.28 118.68 123.88 1tuf s LEU 316 Ca -0.09 -0.37 -0.12 0.00 -0.22 0.00 0.00 54.13 53.34 1tuf s LEU 316 Cb -0.12 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 1tuf s LEU 316 CO -0.01 -0.09 0.20 -0.76 -1.32 0.00 0.00 176.35 174.38 1tuf s LEU 317 N 1.58 4.19 -0.05 -0.68 1.43 0.13 -1.49 118.68 123.78 1tuf s LEU 317 Ca 0.05 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 1tuf s LEU 317 Cb -0.16 -2.20 0.02 0.00 0.03 0.00 0.00 46.19 43.89 1tuf s LEU 317 CO 0.03 0.11 -0.03 -0.83 0.23 0.00 0.00 176.35 175.85 1tuf s GLY 318 N 0.62 0.47 0.17 -3.19 0.00 -0.45 -1.52 107.32 103.42 1tuf s GLY 318 Ca 0.11 -0.10 -0.26 0.00 0.00 0.00 0.00 44.72 44.47 1tuf s GLY 318 CO 0.02 0.63 0.80 1.25 0.00 0.00 0.00 173.10 175.80 1tuf s LYS 319 N 1.21 4.60 -0.15 2.90 2.20 -1.26 -1.41 119.74 127.83 1tuf s LYS 319 Ca -0.06 1.20 -0.25 0.00 -0.36 0.00 0.00 55.97 56.49 1tuf s LYS 319 Cb -0.14 -3.27 -0.02 0.00 -1.51 0.00 0.00 37.83 32.89 1tuf s LYS 319 CO -0.02 0.54 0.83 0.54 -0.36 0.00 0.00 175.35 176.88 1tuf s VAL 320 N -1.06 4.90 -0.10 4.02 0.11 -0.67 -1.24 120.40 126.35 1tuf s VAL 320 Ca 0.37 1.63 0.16 0.00 -2.93 0.00 0.00 61.98 61.21 1tuf s VAL 320 Cb -0.23 -4.14 -0.24 0.00 -1.53 0.00 0.00 36.38 30.24 1tuf s VAL 320 CO 0.27 0.05 0.21 1.41 -3.33 0.00 0.00 175.10 173.72 1tuf n HIS 321 N 5.04 0.00 -3.86 1.54 -0.00 -0.37 -1.08 115.22 116.49 1tuf n HIS 321 Ca 0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.65 1tuf n HIS 321 Cb 0.49 -0.62 -0.09 0.00 -0.00 0.00 0.00 29.99 29.77 1tuf n HIS 321 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1tuf s HIS 322 N -2.79 0.04 -0.26 4.41 3.76 -1.21 -4.90 115.29 114.35 1tuf s HIS 322 Ca -0.07 -0.16 0.01 0.00 -0.15 0.00 0.00 55.06 54.69 1tuf s HIS 322 Cb 0.08 -0.04 0.07 0.00 1.11 0.00 0.00 32.58 33.79 1tuf s HIS 322 CO 0.70 -0.33 -0.04 0.42 -0.85 0.00 0.00 174.74 174.64 1tuf s ILE 323 N -1.71 1.68 -0.18 0.60 1.01 -1.26 -1.49 121.20 119.85 1tuf s ILE 323 Ca -0.12 -1.43 -0.08 0.00 0.00 0.00 0.00 60.65 59.02 1tuf s ILE 323 Cb -0.06 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 1tuf s ILE 323 CO 0.00 -0.18 0.09 -0.75 0.00 0.00 0.00 174.94 174.10 1tuf s LYS 324 N 1.30 3.99 -0.39 2.79 2.20 -0.52 -4.98 119.74 124.14 1tuf s LYS 324 Ca -0.04 -0.29 -0.01 0.00 -0.36 0.00 0.00 55.97 55.28 1tuf s LYS 324 Cb -0.19 -3.27 0.11 0.00 -1.51 0.00 0.00 37.83 32.97 1tuf s LYS 324 CO -0.07 0.32 0.16 -2.00 -0.36 0.00 0.00 175.35 173.40 1tuf s GLU 325 N 0.25 1.83 0.71 4.03 2.12 -1.26 0.38 118.70 126.76 1tuf s GLU 325 Ca 0.06 -1.85 -0.07 0.00 0.36 0.00 0.00 54.97 53.47 1tuf s GLU 325 Cb -0.12 -3.46 0.07 0.00 0.26 0.00 0.00 34.13 30.88 1tuf s GLU 325 CO -0.00 -1.03 1.02 0.95 -0.54 0.00 0.00 175.26 175.66 1tuf s THR 326 N 1.05 2.26 -0.74 -1.70 -4.23 -0.03 -4.94 115.64 107.31 1tuf s THR 326 Ca 0.09 -0.28 0.11 0.00 -1.18 0.00 0.00 61.69 60.43 1tuf s THR 326 Cb -0.22 -2.98 0.11 0.00 1.34 0.00 0.00 72.50 70.75 1tuf s THR 326 CO -0.05 0.00 1.34 -0.81 -0.54 0.00 0.00 174.62 174.55 1tuf n PRO 327 N -2.95 0.06 0.00 3.99 -0.04 -1.26 -3.72 135.00 131.08 1tuf n PRO 327 Ca 0.09 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 1tuf n PRO 327 Cb 0.60 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1tuf n PRO 327 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1tuf n VAL 328 N -1.77 0.00 -4.44 0.52 3.14 -1.26 -5.09 118.33 109.42 1tuf n VAL 328 Ca 0.01 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.16 1tuf n VAL 328 Cb 0.07 -0.53 -0.13 0.00 -1.06 0.00 0.00 33.84 32.18 1tuf n VAL 328 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1tuf s THR 329 N -1.67 1.47 -0.48 1.55 2.01 -1.24 -5.10 115.64 112.18 1tuf s THR 329 Ca 0.00 -1.22 -0.10 0.00 0.31 0.00 0.00 61.69 60.67 1tuf s THR 329 Cb 0.00 -1.31 0.12 0.00 0.01 0.00 0.00 72.50 71.32 1tuf s THR 329 CO 0.00 0.06 0.37 -0.75 -0.69 0.00 0.00 174.62 173.61 1tuf s LYS 330 N -1.37 2.57 0.44 4.92 2.20 -1.26 -0.85 119.74 126.39 1tuf s LYS 330 Ca 0.05 -1.75 -0.19 0.00 -0.36 0.00 0.00 55.97 53.71 1tuf s LYS 330 Cb -0.09 -3.99 -0.10 0.00 -1.51 0.00 0.00 37.83 32.14 1tuf s LYS 330 CO 0.02 -1.22 0.93 -1.58 -0.36 0.00 0.00 175.35 173.15 1tuf s TRP 331 N 1.40 3.35 -0.19 4.03 0.52 0.16 -1.79 118.94 126.43 1tuf s TRP 331 Ca 0.05 1.53 -0.01 0.00 0.02 0.00 0.00 56.10 57.69 1tuf s TRP 331 Cb -0.27 -2.80 0.05 0.00 -1.15 0.00 0.00 33.47 29.31 1tuf s TRP 331 CO -0.00 -0.15 -0.01 0.08 0.02 0.00 0.00 176.95 176.88 1tuf s VAL 332 N -2.27 0.91 -0.18 4.03 1.01 0.47 -1.44 120.40 122.92 1tuf s VAL 332 Ca 0.60 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 1tuf s VAL 332 Cb -0.09 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 1tuf s VAL 332 CO 0.18 -0.06 0.27 -0.04 0.00 0.00 0.00 175.10 175.46 1tuf s MET 333 N 1.70 4.22 0.31 2.72 1.00 -0.55 -1.31 119.30 127.37 1tuf s MET 333 Ca -0.01 0.03 0.10 0.00 0.00 0.00 0.00 55.69 55.81 1tuf s MET 333 Cb -0.17 -3.46 -0.06 0.00 0.00 0.00 0.00 34.83 31.15 1tuf s MET 333 CO -0.07 0.18 -0.14 0.96 0.00 0.00 0.00 175.02 175.94 1tuf s ILE 334 N 0.67 2.31 -1.41 2.53 -4.36 -0.55 -1.23 121.20 119.15 1tuf s ILE 334 Ca 0.15 -2.29 0.22 0.00 -0.26 0.00 0.00 60.65 58.47 1tuf s ILE 334 Cb -0.13 -2.46 0.38 0.00 1.25 0.00 0.00 42.46 41.49 1tuf s ILE 334 CO 0.04 -0.31 1.72 -0.90 0.24 0.00 0.00 174.94 175.73 1tuf n ASP 335 N -0.69 0.00 -4.73 4.36 5.68 -0.38 -3.55 116.55 117.24 1tuf n ASP 335 Ca -0.05 -0.01 -0.39 0.00 -0.50 0.00 0.00 54.79 53.84 1tuf n ASP 335 Cb 0.62 -0.29 -0.05 0.00 -1.14 0.00 0.00 41.12 40.25 1tuf n ASP 335 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1tuf s ALA 336 N -2.59 3.39 0.42 2.12 0.00 -1.26 -4.44 121.76 119.41 1tuf s ALA 336 Ca 0.21 0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.27 1tuf s ALA 336 Cb 0.15 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 1tuf s ALA 336 CO 0.34 -0.01 0.08 0.20 0.00 0.00 0.00 175.76 176.37 1tuf s GLY 337 N 0.49 2.64 0.55 0.00 0.00 -1.26 -4.04 107.32 105.69 1tuf s GLY 337 Ca 0.34 -1.19 0.27 0.00 0.00 0.00 0.00 44.72 44.14 1tuf s GLY 337 CO 0.17 -1.94 2.16 0.00 0.00 0.00 0.00 173.10 173.48 1tuf h MET 338 N 1.72 0.00 0.00 2.90 -0.00 -1.91 -0.14 114.93 117.50 1tuf h MET 338 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.31 1tuf h MET 338 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.88 1tuf h MET 338 CO 0.65 0.06 0.00 -2.95 -0.00 0.00 0.00 176.91 174.67 1tuf h ASN 339 N 0.00 0.00 0.33 -0.10 -1.07 -1.89 -1.84 115.58 111.00 1tuf h ASN 339 Ca -0.00 0.00 -0.33 0.00 0.07 0.00 0.00 56.30 56.04 1tuf h ASN 339 Cb 0.16 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.39 1tuf h ASN 339 CO 0.01 0.00 -1.73 0.44 0.07 0.00 0.00 177.43 176.21 1tuf h ASP 340 N 0.00 0.35 -1.88 6.14 3.32 -1.28 0.12 116.42 123.20 1tuf h ASP 340 Ca 0.00 -0.62 -0.27 0.00 0.02 0.00 0.00 57.03 56.17 1tuf h ASP 340 Cb 0.41 -0.12 -0.30 0.00 0.22 0.00 0.00 39.33 39.55 1tuf h ASP 340 CO 0.00 1.54 -0.60 -0.32 -1.72 0.00 0.00 179.24 178.14 1tuf s MET 341 N -2.59 0.44 0.00 3.56 1.75 -1.02 -4.35 119.30 117.08 1tuf s MET 341 Ca -0.13 -0.16 0.23 0.00 -1.25 0.00 0.00 55.69 54.38 1tuf s MET 341 Cb 0.07 -0.49 1.12 0.00 2.84 0.00 0.00 34.83 38.37 1tuf s MET 341 CO 0.82 -1.07 1.76 -1.33 -0.65 0.00 0.00 175.02 174.55 1tuf n MET 342 N 5.11 0.24 0.30 4.11 2.81 -0.72 -4.41 117.12 124.54 1tuf n MET 342 Ca 0.02 0.08 -0.18 0.00 -1.81 0.00 0.00 57.70 55.81 1tuf n MET 342 Cb 0.48 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.40 1tuf n MET 342 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1tuf h ARG 343 N 0.00 -0.93 0.06 0.03 2.43 -1.86 0.28 114.38 114.38 1tuf h ARG 343 Ca 0.00 0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.26 1tuf h ARG 343 Cb 0.27 0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 29.98 1tuf h ARG 343 CO 0.00 -0.62 -0.39 -1.35 -1.51 0.00 0.00 179.97 176.10 1tuf h PRO 344 N -0.97 -0.56 0.00 0.20 0.11 -1.77 0.19 132.00 129.20 1tuf h PRO 344 Ca -0.06 0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 1tuf h PRO 344 Cb 0.84 0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1tuf h PRO 344 CO -0.04 -0.37 -0.18 0.00 -0.21 0.00 0.00 178.00 177.20 1tuf h ALA 345 N -0.02 1.67 0.10 -0.75 0.00 -1.70 0.52 119.26 119.08 1tuf h ALA 345 Ca 0.04 -0.16 -0.34 0.00 0.00 0.00 0.00 54.91 54.45 1tuf h ALA 345 Cb 0.64 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1tuf h ALA 345 CO -0.27 0.22 -1.84 1.98 0.00 0.00 0.00 179.25 179.35 1tuf h MET 346 N 0.00 0.21 -0.00 0.00 -1.53 -0.49 -3.40 114.93 109.72 1tuf h MET 346 Ca -0.00 -0.36 0.00 0.00 -3.44 0.00 0.00 59.70 55.90 1tuf h MET 346 Cb 0.32 0.13 0.00 0.00 -0.55 0.00 0.00 31.60 31.50 1tuf h MET 346 CO 0.02 1.03 -0.00 0.66 0.14 0.00 0.00 176.91 178.76 1tuf n TYR 347 N -3.38 0.00 -2.48 1.39 4.01 0.61 -4.97 117.16 112.34 1tuf n TYR 347 Ca -0.25 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.30 1tuf n TYR 347 Cb 1.05 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.08 1tuf n TYR 347 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1tuf n GLU 348 N 0.01 -2.13 -2.13 -0.72 1.02 0.18 -4.94 120.64 111.94 1tuf n GLU 348 Ca 0.01 0.87 -0.32 0.00 -0.02 0.00 0.00 57.16 57.70 1tuf n GLU 348 Cb 0.04 -5.54 -0.01 0.00 -0.02 0.00 0.00 31.44 25.91 1tuf n GLU 348 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1tuf s ALA 349 N -2.93 2.95 0.04 0.62 0.00 -1.25 -5.00 121.76 116.20 1tuf s ALA 349 Ca 0.03 0.17 -0.15 0.00 0.00 0.00 0.00 51.96 52.01 1tuf s ALA 349 Cb -0.02 -3.14 -0.06 0.00 0.00 0.00 0.00 23.12 19.90 1tuf s ALA 349 CO 0.04 -0.56 0.46 -0.47 0.00 0.00 0.00 175.76 175.23 1tuf s TYR 350 N -2.73 3.72 -0.01 0.00 6.14 -1.26 -4.40 117.35 118.81 1tuf s TYR 350 Ca 0.59 1.04 0.00 0.00 0.64 0.00 0.00 57.07 59.35 1tuf s TYR 350 Cb -0.12 -2.33 0.01 0.00 0.42 0.00 0.00 41.96 39.93 1tuf s TYR 350 CO 0.39 0.60 -0.01 -1.01 0.64 0.00 0.00 175.55 176.16 1tuf s HIS 351 N -1.16 0.16 0.20 4.97 3.76 -1.26 -4.83 115.29 117.12 1tuf s HIS 351 Ca 0.27 -0.01 -0.30 0.00 -0.15 0.00 0.00 55.06 54.88 1tuf s HIS 351 Cb -0.17 -0.15 -0.08 0.00 1.11 0.00 0.00 32.58 33.29 1tuf s HIS 351 CO 0.16 -0.03 1.09 -1.58 -0.85 0.00 0.00 174.74 173.54 1tuf s HIS 352 N 0.20 3.60 -0.01 1.40 2.46 -1.26 -4.87 115.29 116.81 1tuf s HIS 352 Ca -0.02 1.63 0.03 0.00 0.47 0.00 0.00 55.06 57.16 1tuf s HIS 352 Cb -0.03 -3.27 -0.00 0.00 -0.13 0.00 0.00 32.58 29.15 1tuf s HIS 352 CO -0.01 -0.56 -0.08 0.42 -2.47 0.00 0.00 174.74 172.04 1tuf s ILE 353 N -0.42 0.70 0.17 0.89 1.01 -1.26 0.17 121.20 122.46 1tuf s ILE 353 Ca 0.48 -0.35 -0.03 0.00 0.00 0.00 0.00 60.65 60.75 1tuf s ILE 353 Cb -0.30 -0.61 -0.03 0.00 0.01 0.00 0.00 42.46 41.53 1tuf s ILE 353 CO 0.36 0.21 0.16 0.27 0.00 0.00 0.00 174.94 175.94 1tuf s ILE 354 N -0.02 0.05 -0.25 2.92 -4.36 -0.77 -4.89 121.20 113.87 1tuf s ILE 354 Ca 0.00 -1.81 -0.15 0.00 -0.26 0.00 0.00 60.65 58.43 1tuf s ILE 354 Cb -0.06 -2.20 -0.04 0.00 1.25 0.00 0.00 42.46 41.42 1tuf s ILE 354 CO -0.00 -0.22 0.38 0.21 0.24 0.00 0.00 174.94 175.55 1tuf s ASN 355 N -3.07 6.31 0.55 4.36 3.84 -1.26 -1.31 114.94 124.34 1tuf s ASN 355 Ca 0.28 0.35 0.35 0.00 0.21 0.00 0.00 52.86 54.06 1tuf s ASN 355 Cb 0.06 -2.21 1.91 0.00 -0.55 0.00 0.00 41.25 40.46 1tuf s ASN 355 CO 0.06 -0.14 2.07 0.00 -2.79 0.00 0.00 177.10 176.30 1tuf s LYS 357 N -3.93 3.71 -0.34 0.00 2.36 -1.26 -0.54 119.74 119.73 1tuf s LYS 357 Ca -0.04 -0.46 -0.29 0.00 -2.55 0.00 0.00 55.97 52.63 1tuf s LYS 357 Cb 0.10 -3.24 0.01 0.00 -1.05 0.00 0.00 37.83 33.65 1tuf s LYS 357 CO 0.32 -0.05 1.19 0.08 1.55 0.00 0.00 175.35 178.44 1tuf s VAL 358 N 1.23 4.28 0.27 4.02 1.01 0.48 -4.81 120.40 126.88 1tuf s VAL 358 Ca 0.04 1.43 0.02 0.00 0.00 0.00 0.00 61.98 63.47 1tuf s VAL 358 Cb -0.14 -4.33 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 1tuf s VAL 358 CO 0.03 -0.58 0.44 -0.54 0.00 0.00 0.00 175.10 174.45 1tuf s LYS 359 N 4.06 3.48 0.00 2.72 -0.14 -1.26 -4.92 119.74 123.68 1tuf s LYS 359 Ca 0.51 -0.47 0.23 0.00 -1.36 0.00 0.00 55.97 54.89 1tuf s LYS 359 Cb -0.13 -2.78 1.28 0.00 -1.68 0.00 0.00 37.83 34.52 1tuf s LYS 359 CO 0.22 0.31 1.77 0.09 -0.76 0.00 0.00 175.35 176.98 1tuf n ASN 360 N -1.34 0.00 -3.87 2.83 3.02 -1.26 -4.76 115.26 109.89 1tuf n ASN 360 Ca -0.06 -0.36 -0.11 0.00 -0.03 0.00 0.00 54.58 54.01 1tuf n ASN 360 Cb 0.56 -0.16 -0.10 0.00 -0.61 0.00 0.00 39.78 39.47 1tuf n ASN 360 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1tuf s GLU 361 N -2.31 0.42 0.29 3.52 -1.05 -1.26 -5.10 118.70 113.21 1tuf s GLU 361 Ca 0.28 -0.30 0.08 0.00 -0.15 0.00 0.00 54.97 54.89 1tuf s GLU 361 Cb 0.16 0.18 -0.04 0.00 -0.44 0.00 0.00 34.13 33.99 1tuf s GLU 361 CO 0.32 -0.09 0.13 0.15 0.95 0.00 0.00 175.26 176.71 1tuf s LYS 362 N -1.12 2.54 0.06 -4.83 1.02 -1.26 -1.00 119.74 115.15 1tuf s LYS 362 Ca -0.12 -1.34 -0.18 0.00 0.02 0.00 0.00 55.97 54.35 1tuf s LYS 362 Cb -0.07 -2.31 0.04 0.00 -0.52 0.00 0.00 37.83 34.97 1tuf s LYS 362 CO 0.01 0.27 0.42 -1.83 -0.92 0.00 0.00 175.35 173.30 1tuf s GLU 363 N -3.81 0.97 -0.06 1.68 -1.05 -0.47 -4.81 118.70 111.15 1tuf s GLU 363 Ca 0.35 -0.44 -0.17 0.00 -0.15 0.00 0.00 54.97 54.57 1tuf s GLU 363 Cb -0.06 0.43 -0.05 0.00 -0.44 0.00 0.00 34.13 34.02 1tuf s GLU 363 CO 0.23 -0.35 0.44 0.08 0.95 0.00 0.00 175.26 176.61 1tuf s VAL 364 N -2.80 5.11 0.24 1.83 1.01 -1.26 -1.95 120.40 122.58 1tuf s VAL 364 Ca -0.03 0.89 -0.10 0.00 0.00 0.00 0.00 61.98 62.74 1tuf s VAL 364 Cb -0.00 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 1tuf s VAL 364 CO -0.05 0.44 0.40 0.68 0.00 0.00 0.00 175.10 176.58 1tuf s VAL 365 N -0.15 0.00 -0.03 2.92 -7.23 -0.13 -4.65 120.40 111.13 1tuf s VAL 365 Ca 0.24 -1.53 0.07 0.00 -1.81 0.00 0.00 61.98 58.95 1tuf s VAL 365 Cb -0.16 -2.26 -0.02 0.00 0.56 0.00 0.00 36.38 34.51 1tuf s VAL 365 CO 0.11 -0.00 -0.24 -0.44 -0.31 0.00 0.00 175.10 174.22 1tuf s SER 366 N -3.05 3.18 -0.18 4.85 0.01 -0.74 -0.36 113.70 117.42 1tuf s SER 366 Ca 0.26 -0.45 -0.06 0.00 1.31 0.00 0.00 55.95 57.01 1tuf s SER 366 Cb 0.01 -0.54 -0.04 0.00 0.21 0.00 0.00 66.02 65.66 1tuf s SER 366 CO 0.09 0.30 0.03 -0.63 0.41 0.00 0.00 173.24 173.45 1tuf s ILE 367 N -0.50 4.47 0.07 1.44 1.09 -0.12 -0.40 121.20 127.25 1tuf s ILE 367 Ca 0.06 -0.15 0.02 0.00 -1.10 0.00 0.00 60.65 59.49 1tuf s ILE 367 Cb -0.11 -3.00 -0.03 0.00 -1.06 0.00 0.00 42.46 38.26 1tuf s ILE 367 CO 0.00 0.46 -0.08 0.00 -0.10 0.00 0.00 174.94 175.23 1tuf s ALA 368 N 0.44 0.77 0.81 9.38 0.00 -0.43 -0.86 121.76 131.87 1tuf s ALA 368 Ca 0.01 -1.02 -0.05 0.00 0.00 0.00 0.00 51.96 50.90 1tuf s ALA 368 Cb -0.13 0.09 0.09 0.00 0.00 0.00 0.00 23.12 23.16 1tuf s ALA 368 CO 0.01 -0.10 0.56 0.41 0.00 0.00 0.00 175.76 176.65 1tuf n GLY 369 N 0.82 -0.45 0.62 0.00 0.00 -1.07 -1.49 105.19 103.62 1tuf n GLY 369 Ca -0.18 -1.82 0.13 0.00 0.00 0.00 0.00 46.02 44.15 1tuf n GLY 369 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tuf n GLY 370 N 1.09 0.28 3.77 -0.02 0.00 -1.23 -4.72 105.19 104.36 1tuf n GLY 370 Ca 0.08 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 1tuf n GLY 370 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tuf s LEU 371 N -2.14 4.02 -1.25 0.99 1.43 -1.26 -4.93 118.68 115.54 1tuf s LEU 371 Ca 0.30 2.23 -0.14 0.00 -1.03 0.00 0.00 54.13 55.49 1tuf s LEU 371 Cb 0.20 -4.25 0.14 0.00 0.03 0.00 0.00 46.19 42.31 1tuf s LEU 371 CO 0.38 -0.83 1.60 0.00 0.23 0.00 0.00 176.35 177.74 1tuf s GLU 373 N 1.99 0.46 0.50 0.00 2.56 -1.26 -5.04 118.70 117.92 1tuf s GLU 373 Ca 0.45 1.13 0.27 0.00 0.00 0.00 0.00 54.97 56.82 1tuf s GLU 373 Cb 0.01 0.48 1.36 0.00 2.00 0.00 0.00 34.13 37.98 1tuf s GLU 373 CO 0.01 -0.34 1.89 0.66 -0.56 0.00 0.00 175.26 176.93 1tuf h SER 374 N 8.08 0.11 0.93 -1.70 4.64 -2.03 0.31 113.55 123.88 1tuf h SER 374 Ca -0.18 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1tuf h SER 374 Cb 1.12 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1tuf h SER 374 CO 0.15 0.04 0.00 -1.54 -0.87 0.00 0.00 176.83 174.62 1tuf n SER 375 N -4.35 0.66 -3.42 4.97 3.41 -1.26 -4.30 113.62 109.32 1tuf n SER 375 Ca 0.18 0.63 -0.34 0.00 -0.26 0.00 0.00 58.87 59.08 1tuf n SER 375 Cb 0.84 -0.78 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1tuf n SER 375 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1tuf n ASP 376 N -2.19 3.84 -4.00 4.04 2.03 0.11 -4.09 116.55 116.29 1tuf n ASP 376 Ca 0.03 -2.53 -0.21 0.00 0.52 0.00 0.00 54.79 52.60 1tuf n ASP 376 Cb 0.28 -1.15 -0.16 0.00 -0.72 0.00 0.00 41.12 39.37 1tuf n ASP 376 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1tuf s VAL 377 N 4.10 0.85 0.02 5.18 1.01 -1.26 -2.59 120.40 127.70 1tuf s VAL 377 Ca 0.49 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 62.17 1tuf s VAL 377 Cb 0.13 -0.77 -0.24 0.00 0.00 0.00 0.00 36.38 35.50 1tuf s VAL 377 CO 0.03 0.27 0.89 -0.26 0.00 0.00 0.00 175.10 176.03 1tuf h PHE 378 N 6.60 0.13 -1.18 5.22 0.04 -1.30 -3.37 116.94 123.08 1tuf h PHE 378 Ca -0.34 -0.09 0.17 0.00 2.80 0.00 0.00 57.97 60.51 1tuf h PHE 378 Cb 1.17 -0.01 -0.31 0.00 2.20 0.00 0.00 35.95 39.01 1tuf h PHE 378 CO 0.46 1.12 0.80 0.20 -0.60 0.00 0.00 178.31 180.29 1tuf s GLY 379 N -4.97 0.22 0.11 -1.45 0.00 -1.19 -4.72 107.32 95.33 1tuf s GLY 379 Ca -0.05 3.27 0.05 0.00 0.00 0.00 0.00 44.72 47.99 1tuf s GLY 379 CO 0.83 1.82 0.03 0.50 0.00 0.00 0.00 173.10 176.28 1tuf s ARG 380 N -0.06 2.65 -1.25 2.90 0.52 -1.26 -0.94 118.95 121.50 1tuf s ARG 380 Ca 0.06 -0.84 -0.19 0.00 -0.52 0.00 0.00 55.73 54.24 1tuf s ARG 380 Cb -0.04 -2.57 0.01 0.00 0.52 0.00 0.00 34.95 32.86 1tuf s ARG 380 CO -0.13 0.53 0.63 -0.25 0.02 0.00 0.00 175.30 176.10 1tuf n ASP 381 N 0.34 -3.46 -4.81 0.23 8.00 -1.03 -4.93 116.55 110.89 1tuf n ASP 381 Ca -0.10 -1.12 -0.33 0.00 0.71 0.00 0.00 54.79 53.96 1tuf n ASP 381 Cb 0.53 -2.70 -0.06 0.00 -0.02 0.00 0.00 41.12 38.86 1tuf n ASP 381 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1tuf s ARG 382 N -6.62 3.13 -0.49 -1.24 1.81 0.52 -4.81 118.95 111.25 1tuf s ARG 382 Ca 0.35 -0.46 -0.18 0.00 -1.72 0.00 0.00 55.73 53.72 1tuf s ARG 382 Cb -0.15 -2.90 0.06 0.00 -0.45 0.00 0.00 34.95 31.51 1tuf s ARG 382 CO 0.91 0.65 0.53 -2.00 -0.68 0.00 0.00 175.30 174.70 1tuf s GLU 383 N -1.83 3.06 0.34 3.54 2.12 -1.26 -0.95 118.70 123.71 1tuf s GLU 383 Ca 0.24 -1.10 0.07 0.00 0.36 0.00 0.00 54.97 54.55 1tuf s GLU 383 Cb -0.12 -4.12 -0.07 0.00 0.26 0.00 0.00 34.13 30.09 1tuf s GLU 383 CO 0.16 -1.14 -0.04 -0.51 -0.54 0.00 0.00 175.26 173.19 1tuf s LEU 384 N 2.20 2.62 0.38 2.70 1.43 -0.82 -4.93 118.68 122.26 1tuf s LEU 384 Ca 0.10 -1.26 -0.26 0.00 -1.03 0.00 0.00 54.13 51.68 1tuf s LEU 384 Cb -0.21 -0.79 -0.09 0.00 0.03 0.00 0.00 46.19 45.13 1tuf s LEU 384 CO 0.10 -0.36 1.18 -1.81 0.23 0.00 0.00 176.35 175.69 1tuf s ASP 385 N -3.57 6.60 -0.15 2.29 1.11 -1.26 -1.37 116.67 120.32 1tuf s ASP 385 Ca 0.33 2.38 -0.14 0.00 0.18 0.00 0.00 52.55 55.30 1tuf s ASP 385 Cb 0.05 -2.62 -0.06 0.00 1.07 0.00 0.00 42.92 41.37 1tuf s ASP 385 CO 0.15 -0.62 0.59 0.29 1.18 0.00 0.00 175.17 176.76 1tuf n LYS 386 N 0.23 0.00 -3.06 8.23 4.76 -0.17 -4.80 118.16 123.36 1tuf n LYS 386 Ca 0.03 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.08 1tuf n LYS 386 Cb 0.46 -0.46 -0.05 0.00 -1.84 0.00 0.00 35.03 33.13 1tuf n LYS 386 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1tuf s VAL 387 N 1.45 4.95 0.03 -0.18 1.01 -1.26 -4.85 120.40 121.54 1tuf s VAL 387 Ca 0.35 1.45 0.03 0.00 0.00 0.00 0.00 61.98 63.81 1tuf s VAL 387 Cb -0.46 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 31.86 1tuf s VAL 387 CO 0.23 0.30 -0.09 -0.70 0.00 0.00 0.00 175.10 174.84 1tuf s GLU 388 N 0.44 0.62 0.11 2.72 2.12 -1.26 -5.09 118.70 118.37 1tuf s GLU 388 Ca 0.37 -0.60 -0.35 0.00 0.36 0.00 0.00 54.97 54.75 1tuf s GLU 388 Cb -0.18 -0.52 -0.15 0.00 0.26 0.00 0.00 34.13 33.54 1tuf s GLU 388 CO 0.19 0.12 1.51 0.28 -0.54 0.00 0.00 175.26 176.82 1tuf n VAL 389 N 2.01 0.03 0.00 3.70 0.31 -1.26 -1.21 118.33 121.91 1tuf n VAL 389 Ca -0.19 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1tuf n VAL 389 Cb 0.56 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 1tuf n VAL 389 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1tuf n GLY 390 N 3.15 0.14 3.82 2.92 0.00 -0.24 -5.03 105.19 109.95 1tuf n GLY 390 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1tuf n GLY 390 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tuf s ASP 391 N -2.11 4.67 -0.15 1.61 1.01 -0.35 -4.78 116.67 116.58 1tuf s ASP 391 Ca 0.00 1.27 0.02 0.00 0.71 0.00 0.00 52.55 54.54 1tuf s ASP 391 Cb 0.00 -2.01 0.01 0.00 1.01 0.00 0.00 42.92 41.93 1tuf s ASP 391 CO 0.00 -1.85 -0.20 -0.69 0.21 0.00 0.00 175.17 172.64 1tuf s VAL 392 N -3.20 2.21 0.14 -1.27 1.01 -1.26 -1.67 120.40 116.36 1tuf s VAL 392 Ca 0.60 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.69 1tuf s VAL 392 Cb -0.14 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1tuf s VAL 392 CO 0.54 0.54 0.20 -0.76 0.00 0.00 0.00 175.10 175.62 1tuf s LEU 393 N 0.85 4.07 -0.09 3.92 1.43 -0.50 -1.33 118.68 127.03 1tuf s LEU 393 Ca -0.06 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 1tuf s LEU 393 Cb -0.15 -2.67 0.02 0.00 0.03 0.00 0.00 46.19 43.42 1tuf s LEU 393 CO -0.02 0.08 -0.11 0.00 0.23 0.00 0.00 176.35 176.53 1tuf s ALA 394 N -1.71 1.32 -0.25 4.21 0.00 -0.43 -1.35 121.76 123.56 1tuf s ALA 394 Ca 0.33 -0.49 -0.08 0.00 0.00 0.00 0.00 51.96 51.72 1tuf s ALA 394 Cb -0.11 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 1tuf s ALA 394 CO 0.26 -0.10 0.09 -1.50 0.00 0.00 0.00 175.76 174.51 1tuf s ILE 395 N 1.09 4.57 0.71 0.00 2.07 -0.56 -1.85 121.20 127.22 1tuf s ILE 395 Ca -0.06 -0.09 -0.12 0.00 -1.41 0.00 0.00 60.65 58.97 1tuf s ILE 395 Cb -0.14 -3.14 0.02 0.00 0.13 0.00 0.00 42.46 39.33 1tuf s ILE 395 CO -0.01 0.33 1.08 -0.36 -1.91 0.00 0.00 174.94 174.06 1tuf s PHE 396 N 1.53 2.84 -1.17 3.50 0.40 0.13 -2.06 117.98 123.14 1tuf s PHE 396 Ca 0.06 1.50 -0.13 0.00 -0.60 0.00 0.00 56.93 57.76 1tuf s PHE 396 Cb -0.15 -2.99 -0.02 0.00 0.51 0.00 0.00 43.02 40.37 1tuf s PHE 396 CO 0.05 -1.49 0.77 -0.25 0.70 0.00 0.00 175.22 175.01 1tuf n ASP 397 N -3.09 -4.44 -0.15 1.36 8.00 -0.79 -4.36 116.55 113.08 1tuf n ASP 397 Ca 0.09 -0.93 0.03 0.00 0.71 0.00 0.00 54.79 54.69 1tuf n ASP 397 Cb 0.53 -3.81 0.06 0.00 -0.02 0.00 0.00 41.12 37.88 1tuf n ASP 397 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1tuf n VAL 398 N -4.04 1.22 0.34 2.53 0.24 -0.70 -4.67 118.33 113.24 1tuf n VAL 398 Ca -0.14 -1.27 0.15 0.00 -2.04 0.00 0.00 64.34 61.04 1tuf n VAL 398 Cb 0.62 0.33 0.54 0.00 -1.47 0.00 0.00 33.84 33.86 1tuf n VAL 398 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1tuf h GLY 399 N 0.39 0.00 -5.14 7.63 0.00 -1.50 -3.34 103.07 101.11 1tuf h GLY 399 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 1tuf h GLY 399 CO 0.01 0.00 -0.88 0.00 0.00 0.00 0.00 176.54 175.67 1tuf s ALA 400 N -3.45 2.19 -1.49 3.60 0.00 -1.26 -4.40 121.76 116.95 1tuf s ALA 400 Ca 0.04 -1.01 -0.07 0.00 0.00 0.00 0.00 51.96 50.92 1tuf s ALA 400 Cb 0.09 -0.76 0.02 0.00 0.00 0.00 0.00 23.12 22.47 1tuf s ALA 400 CO 0.51 0.36 0.78 0.66 0.00 0.00 0.00 175.76 178.07 1tuf n TYR 401 N 3.20 -2.24 0.00 0.00 4.01 0.71 -4.90 117.16 117.94 1tuf n TYR 401 Ca -0.18 0.68 0.00 0.00 -0.16 0.00 0.00 57.90 58.24 1tuf n TYR 401 Cb 0.52 -4.53 0.00 0.00 -0.31 0.00 0.00 39.34 35.02 1tuf n TYR 401 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1tuf n GLY 402 N -1.65 0.18 0.25 2.72 0.00 -1.25 -4.51 105.19 100.92 1tuf n GLY 402 Ca -0.07 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.00 1tuf n GLY 402 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1tuf h ILE 403 N 0.00 1.12 0.00 -0.61 6.09 -1.77 -1.06 117.51 121.28 1tuf h ILE 403 Ca 0.00 -0.49 -0.01 0.00 -1.37 0.00 0.00 64.86 62.99 1tuf h ILE 403 Cb 0.00 1.11 -0.00 0.00 0.47 0.00 0.00 36.82 38.40 1tuf h ILE 403 CO 0.00 0.15 -0.04 0.77 -3.07 0.00 0.00 178.15 175.96 1tuf h SER 404 N 0.15 0.00 -0.15 2.19 4.64 -1.86 -2.07 113.55 116.45 1tuf h SER 404 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1tuf h SER 404 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1tuf h SER 404 CO 0.01 0.04 0.00 0.23 -0.87 0.00 0.00 176.83 176.24 1tuf n MET 405 N -3.62 1.50 -0.65 4.77 2.81 -0.48 -5.03 117.12 116.43 1tuf n MET 405 Ca -0.02 -1.54 -0.31 0.00 -1.81 0.00 0.00 57.70 54.02 1tuf n MET 405 Cb 0.14 -1.24 0.18 0.00 -0.71 0.00 0.00 33.22 31.59 1tuf n MET 405 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1tuf n ALA 406 N 0.61 -1.10 -3.00 3.04 0.00 -0.75 -4.74 120.51 114.56 1tuf n ALA 406 Ca 0.09 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1tuf n ALA 406 Cb 0.35 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1tuf n ALA 406 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1tuf n ASN 407 N -4.34 0.00 -0.72 0.00 6.94 0.43 -5.02 115.26 112.54 1tuf n ASN 407 Ca 0.11 -0.98 0.05 0.00 -0.02 0.00 0.00 54.58 53.74 1tuf n ASN 407 Cb 0.52 0.00 0.21 0.00 -2.36 0.00 0.00 39.78 38.15 1tuf n ASN 407 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1tuf n ASN 408 N -1.63 2.92 -4.54 0.53 3.02 -1.25 -4.34 115.26 109.96 1tuf n ASN 408 Ca 0.00 -3.32 -0.47 0.00 -0.03 0.00 0.00 54.58 50.76 1tuf n ASN 408 Cb 0.00 -0.54 -0.03 0.00 -0.61 0.00 0.00 39.78 38.60 1tuf n ASN 408 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1tuf n TYR 409 N -0.97 0.86 -1.94 3.10 9.36 -1.26 -0.35 117.16 125.96 1tuf n TYR 409 Ca 0.23 0.77 -0.12 0.00 3.32 0.00 0.00 57.90 62.10 1tuf n TYR 409 Cb 0.85 -2.19 -0.02 0.00 -0.63 0.00 0.00 39.34 37.35 1tuf n TYR 409 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1tuf n ASN 410 N 1.61 -4.05 -3.76 2.98 5.03 -1.26 -3.45 115.26 112.36 1tuf n ASN 410 Ca 0.13 0.09 -0.29 0.00 0.87 0.00 0.00 54.58 55.38 1tuf n ASN 410 Cb 0.28 -3.04 0.03 0.00 -1.02 0.00 0.00 39.78 36.02 1tuf n ASN 410 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1tuf n ALA 411 N -0.65 -2.37 -3.56 5.41 0.00 0.52 -4.99 120.51 114.87 1tuf n ALA 411 Ca -0.14 -0.25 -0.29 0.00 0.00 0.00 0.00 53.44 52.77 1tuf n ALA 411 Cb 0.54 -3.24 -0.17 0.00 0.00 0.00 0.00 19.45 16.58 1tuf n ALA 411 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1tuf s ARG 412 N -6.16 2.30 0.61 0.00 0.52 -0.77 -5.09 118.95 110.37 1tuf s ARG 412 Ca 0.32 -0.60 -0.16 0.00 -0.52 0.00 0.00 55.73 54.76 1tuf s ARG 412 Cb -0.11 -1.90 -0.03 0.00 0.52 0.00 0.00 34.95 33.43 1tuf s ARG 412 CO 0.87 -0.01 1.09 0.20 0.02 0.00 0.00 175.30 177.47 1tuf s GLY 413 N 0.83 2.23 0.58 -3.53 0.00 -1.26 -3.94 107.32 102.23 1tuf s GLY 413 Ca -0.10 0.53 -0.20 0.00 0.00 0.00 0.00 44.72 44.96 1tuf s GLY 413 CO 0.01 0.87 1.23 0.50 0.00 0.00 0.00 173.10 175.71 1tuf s ARG 414 N -3.92 3.04 1.12 2.90 3.00 -1.26 -4.73 118.95 119.09 1tuf s ARG 414 Ca 0.67 1.90 -0.15 0.00 0.00 0.00 0.00 55.73 58.15 1tuf s ARG 414 Cb -0.19 -2.02 0.25 0.00 0.00 0.00 0.00 34.95 32.99 1tuf s ARG 414 CO 0.36 -1.17 1.07 -1.25 0.00 0.00 0.00 175.30 174.32 1tuf s PRO 415 N -3.21 -0.53 0.46 3.54 0.04 -1.26 -2.80 135.00 131.24 1tuf s PRO 415 Ca 0.76 0.36 -0.12 0.00 0.04 0.00 0.00 61.00 62.04 1tuf s PRO 415 Cb -0.32 -1.64 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 1tuf s PRO 415 CO 0.36 -3.34 0.86 1.03 0.04 0.00 0.00 177.00 175.95 1tuf s ARG 416 N -5.00 3.81 -0.01 4.56 0.52 -1.25 -4.39 118.95 117.18 1tuf s ARG 416 Ca 0.68 0.64 0.02 0.00 -0.52 0.00 0.00 55.73 56.54 1tuf s ARG 416 Cb -0.17 -2.28 0.00 0.00 0.52 0.00 0.00 34.95 33.02 1tuf s ARG 416 CO 0.58 -0.17 -0.05 -1.64 0.02 0.00 0.00 175.30 174.05 1tuf s MET 417 N -4.07 0.55 0.09 3.54 -1.94 -0.55 -1.13 119.30 115.78 1tuf s MET 417 Ca 0.54 -0.17 0.07 0.00 -1.71 0.00 0.00 55.69 54.42 1tuf s MET 417 Cb -0.10 -0.55 -0.03 0.00 2.01 0.00 0.00 34.83 36.16 1tuf s MET 417 CO 0.34 0.07 -0.19 0.14 -0.01 0.00 0.00 175.02 175.36 1tuf s VAL 418 N 0.15 1.58 -0.16 -6.03 -7.23 -0.17 -0.20 120.40 108.34 1tuf s VAL 418 Ca -0.01 -1.44 -0.02 0.00 -1.81 0.00 0.00 61.98 58.70 1tuf s VAL 418 Cb -0.06 -1.44 -0.02 0.00 0.56 0.00 0.00 36.38 35.43 1tuf s VAL 418 CO -0.00 -0.05 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.43 1tuf s LEU 419 N -1.76 2.90 -0.22 1.32 2.96 0.23 -0.41 118.68 123.70 1tuf s LEU 419 Ca 0.05 -0.29 -0.07 0.00 -0.22 0.00 0.00 54.13 53.60 1tuf s LEU 419 Cb -0.10 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 1tuf s LEU 419 CO 0.03 0.12 0.06 0.42 -1.32 0.00 0.00 176.35 175.66 1tuf s THR 420 N 0.66 4.39 0.18 3.68 -4.23 0.16 -0.27 115.64 120.21 1tuf s THR 420 Ca -0.05 -0.15 0.04 0.00 -1.18 0.00 0.00 61.69 60.35 1tuf s THR 420 Cb -0.15 -3.02 -0.02 0.00 1.34 0.00 0.00 72.50 70.65 1tuf s THR 420 CO 0.02 0.38 0.15 -1.54 -0.54 0.00 0.00 174.62 173.09 1tuf n SER 421 N 4.45 -0.30 0.22 3.99 3.41 -0.57 -1.48 113.62 123.35 1tuf n SER 421 Ca -0.16 -2.17 0.11 0.00 -0.26 0.00 0.00 58.87 56.39 1tuf n SER 421 Cb 0.52 0.88 0.42 0.00 -0.26 0.00 0.00 64.21 65.76 1tuf n SER 421 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1tuf h LYS 422 N 0.00 0.00 0.00 4.33 1.57 -1.98 -2.52 116.57 117.97 1tuf h LYS 422 Ca -0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1tuf h LYS 422 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1tuf h LYS 422 CO 0.19 0.18 0.00 0.87 -0.57 0.00 0.00 179.45 180.12 1tuf h LYS 423 N 0.00 0.00 0.00 3.15 6.56 -2.00 -3.49 116.57 120.80 1tuf h LYS 423 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1tuf h LYS 423 Cb 0.81 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.47 1tuf h LYS 423 CO 0.02 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.82 1tuf n GLY 424 N 0.84 0.85 3.51 3.86 0.00 -0.95 -5.06 105.19 108.23 1tuf n GLY 424 Ca 0.04 -2.04 -0.35 0.00 0.00 0.00 0.00 46.02 43.67 1tuf n GLY 424 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tuf s VAL 425 N -1.24 4.20 0.10 1.61 0.11 -1.26 -1.51 120.40 122.40 1tuf s VAL 425 Ca 0.00 -0.24 0.08 0.00 -2.93 0.00 0.00 61.98 58.90 1tuf s VAL 425 Cb 0.00 -2.89 -0.03 0.00 -1.53 0.00 0.00 36.38 31.92 1tuf s VAL 425 CO 0.00 0.44 -0.21 -0.36 -3.33 0.00 0.00 175.10 171.64 1tuf s PHE 426 N 0.78 1.80 -0.09 1.54 0.40 0.62 -4.92 117.98 118.11 1tuf s PHE 426 Ca 0.01 -0.41 -0.30 0.00 -0.60 0.00 0.00 56.93 55.63 1tuf s PHE 426 Cb -0.14 -1.00 -0.03 0.00 0.51 0.00 0.00 43.02 42.37 1tuf s PHE 426 CO 0.02 0.19 1.20 -1.17 0.70 0.00 0.00 175.22 176.17 1tuf s LEU 427 N -1.82 4.25 0.00 -0.37 2.96 -1.26 0.74 118.68 123.17 1tuf s LEU 427 Ca 0.07 1.76 0.08 0.00 -0.22 0.00 0.00 54.13 55.81 1tuf s LEU 427 Cb -0.10 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 1tuf s LEU 427 CO 0.04 -0.63 0.47 2.30 -1.32 0.00 0.00 176.35 177.21 1tuf n ILE 428 N 4.84 0.00 -3.66 6.68 -5.35 0.72 -4.89 119.36 117.69 1tuf n ILE 428 Ca 0.12 -0.39 -0.08 0.00 -0.27 0.00 0.00 62.75 62.13 1tuf n ILE 428 Cb 0.46 1.06 -0.09 0.00 -1.74 0.00 0.00 39.64 39.33 1tuf n ILE 428 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1tuf s ARG 429 N -1.35 0.39 0.25 6.28 3.52 -0.97 -4.75 118.95 122.32 1tuf s ARG 429 Ca 0.05 1.04 -0.18 0.00 -0.13 0.00 0.00 55.73 56.51 1tuf s ARG 429 Cb 0.06 0.30 -0.08 0.00 -1.56 0.00 0.00 34.95 33.67 1tuf s ARG 429 CO 0.23 -0.22 0.73 -2.00 -0.81 0.00 0.00 175.30 173.23 1tuf s GLU 430 N 2.30 4.19 0.70 5.12 2.56 -1.26 -1.48 118.70 130.84 1tuf s GLU 430 Ca -0.05 0.82 -0.11 0.00 0.00 0.00 0.00 54.97 55.63 1tuf s GLU 430 Cb -0.11 -2.76 0.01 0.00 2.00 0.00 0.00 34.13 33.27 1tuf s GLU 430 CO -0.14 0.33 1.07 -0.98 -0.56 0.00 0.00 175.26 174.98 1tuf s ARG 431 N -2.23 2.87 -0.07 4.30 1.70 -1.26 -4.73 118.95 119.53 1tuf s ARG 431 Ca 0.46 0.76 -0.14 0.00 -0.47 0.00 0.00 55.73 56.34 1tuf s ARG 431 Cb -0.15 -2.00 -0.05 0.00 -0.57 0.00 0.00 34.95 32.18 1tuf s ARG 431 CO 0.20 -1.10 0.36 -1.21 -1.08 0.00 0.00 175.30 172.47 1tuf s GLU 432 N -5.15 4.02 0.65 3.89 2.02 -1.12 -5.01 118.70 118.00 1tuf s GLU 432 Ca 0.58 0.28 -0.02 0.00 0.02 0.00 0.00 54.97 55.83 1tuf s GLU 432 Cb -0.13 -3.30 0.13 0.00 0.10 0.00 0.00 34.13 30.93 1tuf s GLU 432 CO 0.54 0.51 0.89 0.25 0.02 0.00 0.00 175.26 177.47 1tuf n THR 433 N 2.56 0.00 0.21 3.63 -2.24 -1.26 -4.44 114.28 112.74 1tuf n THR 433 Ca -0.13 -1.29 0.09 0.00 -2.27 0.00 0.00 64.05 60.44 1tuf n THR 433 Cb 0.52 -1.04 0.44 0.00 -2.10 0.00 0.00 70.33 68.16 1tuf n THR 433 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 1tuf h TYR 434 N -0.71 0.00 -0.01 4.78 0.05 -1.98 -2.20 116.97 116.91 1tuf h TYR 434 Ca -0.29 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.37 1tuf h TYR 434 Cb 1.05 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.77 1tuf h TYR 434 CO 0.00 0.27 -0.54 0.00 -1.05 0.00 0.00 178.16 176.84 1tuf h ALA 435 N 1.73 1.10 -0.37 3.88 0.00 -2.00 -3.05 119.26 120.56 1tuf h ALA 435 Ca -0.00 -0.49 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 1tuf h ALA 435 Cb 0.75 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1tuf h ALA 435 CO 0.03 0.67 -0.36 -0.44 0.00 0.00 0.00 179.25 179.16 1tuf h ASP 436 N 0.01 0.90 -1.00 0.00 3.32 -1.76 -2.40 116.42 115.50 1tuf h ASP 436 Ca -0.00 -0.40 0.18 0.00 0.02 0.00 0.00 57.03 56.83 1tuf h ASP 436 Cb 0.96 -0.25 -0.10 0.00 0.22 0.00 0.00 39.33 40.15 1tuf h ASP 436 CO 0.07 1.16 0.62 -0.07 -1.72 0.00 0.00 179.24 179.30 1tuf h LEU 437 N 0.70 0.77 -2.45 1.55 -0.00 -1.41 -1.22 115.31 113.25 1tuf h LEU 437 Ca 0.06 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1tuf h LEU 437 Cb 0.93 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.53 1tuf h LEU 437 CO 0.09 0.29 0.00 2.30 -0.00 0.00 0.00 178.44 181.12 1tuf n ILE 438 N -4.73 0.67 0.16 1.22 -5.35 -1.21 -4.59 119.36 105.54 1tuf n ILE 438 Ca 0.23 -0.84 0.09 0.00 -0.27 0.00 0.00 62.75 61.96 1tuf n ILE 438 Cb 0.56 0.79 0.47 0.00 -1.74 0.00 0.00 39.64 39.72 1tuf n ILE 438 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1tuf n ALA 439 N 1.18 0.83 0.29 -1.28 0.00 -0.46 -0.61 120.51 120.45 1tuf n ALA 439 Ca 0.17 0.16 0.03 0.00 0.00 0.00 0.00 53.44 53.80 1tuf n ALA 439 Cb 0.53 -1.05 0.02 0.00 0.00 0.00 0.00 19.45 18.95 1tuf n ALA 439 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1tuf n LYS 440 N -2.14 0.51 -3.15 0.00 4.76 -1.26 -5.02 118.16 111.86 1tuf n LYS 440 Ca -0.01 -0.81 -0.39 0.00 -2.87 0.00 0.00 58.31 54.23 1tuf n LYS 440 Cb 0.18 -1.10 -0.06 0.00 -1.84 0.00 0.00 35.03 32.21 1tuf n LYS 440 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1tuf s ASP 441 N -0.69 7.19 -0.08 4.39 1.01 0.22 -5.07 116.67 123.63 1tuf s ASP 441 Ca 0.07 1.41 -0.01 0.00 0.71 0.00 0.00 52.55 54.73 1tuf s ASP 441 Cb 0.06 -2.42 0.03 0.00 1.01 0.00 0.00 42.92 41.60 1tuf s ASP 441 CO 0.10 0.23 -0.03 -0.63 0.21 0.00 0.00 175.17 175.05 1tuf s ILE 442 N -1.01 0.59 -0.15 0.77 1.01 -1.26 -5.05 121.20 116.10 1tuf s ILE 442 Ca 0.32 -0.04 -0.24 0.00 0.00 0.00 0.00 60.65 60.69 1tuf s ILE 442 Cb -0.21 -0.69 -0.02 0.00 0.01 0.00 0.00 42.46 41.55 1tuf s ILE 442 CO 0.22 0.29 0.79 -0.69 0.00 0.00 0.00 174.94 175.54 1tuf s VAL 443 N 1.74 4.93 0.67 2.92 1.01 -1.26 -5.05 120.40 125.36 1tuf s VAL 443 Ca 0.03 1.55 -0.15 0.00 0.00 0.00 0.00 61.98 63.40 1tuf s VAL 443 Cb -0.13 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.16 1tuf s VAL 443 CO -0.05 0.08 1.14 -2.84 0.00 0.00 0.00 175.10 173.42 1tuf s PRO 444 N 1.87 2.65 0.19 2.72 0.02 -1.26 -4.81 135.00 136.39 1tuf s PRO 444 Ca 0.37 1.51 -0.20 0.00 0.02 0.00 0.00 61.00 62.71 1tuf s PRO 444 Cb -0.17 -1.92 0.15 0.00 0.02 0.00 0.00 34.50 32.58 1tuf s PRO 444 CO 0.13 -1.39 1.59 -1.35 -0.33 0.00 0.00 177.00 175.65 1tuf h PRO 445 N 0.02 -0.13 0.00 5.54 0.11 -1.98 0.12 132.00 135.69 1tuf h PRO 445 Ca -0.47 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1tuf h PRO 445 Cb 1.26 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1tuf h PRO 445 CO 0.53 -0.09 0.00 -2.39 -0.21 0.00 0.00 178.00 175.84 1tuf n HIS 446 N -5.44 0.00 0.33 0.65 1.44 -1.26 -1.71 115.22 109.23 1tuf n HIS 446 Ca 0.05 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.80 1tuf n HIS 446 Cb 0.36 -0.17 0.02 0.00 0.12 0.00 0.00 29.99 30.32 1tuf n HIS 446 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1tuf n LEU 447 N -1.17 1.49 0.00 2.39 4.77 0.41 -5.27 117.00 119.62 1tuf n LEU 447 Ca 0.04 -0.93 0.04 0.00 -0.03 0.00 0.00 56.01 55.13 1tuf n LEU 447 Cb 0.04 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.38 1tuf n LEU 447 CO 0.04 0.30 0.48 0.18 -1.33 0.00 0.00 177.39 177.06