NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6788 8.3344 115.4301 58.7054 63.6129 170.9942 2 D 4.5596 7.6576 120.8947 55.2069 43.9633 174.9168 3 K 4.3135 8.5717 118.9426 56.8647 34.2380 176.3134 4 I 4.2218 7.4987 120.2526 60.6123 38.0042 175.6285 5 I 3.8811 8.3890 128.8865 61.3107 38.1254 175.1615 6 H 4.8814 8.7639 125.5694 54.7285 28.4560 175.2165 7 L 4.5534 8.6036 123.9787 54.3959 42.9165 176.3932 8 T 5.0806 8.5015 109.9730 58.0469 72.0010 174.7968 9 D 4.5362 8.6934 120.8803 57.5838 40.7420 178.3979 10 D 4.5895 8.1327 118.3979 56.3709 41.3656 177.6934 11 S 4.5700 7.8254 112.6629 58.6641 63.5641 175.9218 12 F 3.9707 7.8737 124.4260 61.4133 39.1869 176.1020 13 D 4.3636 8.2758 117.1903 57.8249 40.8457 178.2011 14 T 3.8229 7.7373 114.1540 66.9436 68.6637 176.0156 15 D 4.3679 7.9243 119.2294 56.2133 40.7799 177.3880 16 V 3.7208 7.2236 116.0547 64.4236 32.6906 177.8406 17 L 4.0864 7.4530 116.4262 56.7931 41.7453 177.9634 18 K 4.3515 7.7447 115.3199 55.7301 32.7932 176.2585 19 A 4.0517 7.3914 123.1057 51.9966 19.2283 178.0055 20 D 5.1942 8.0017 124.0840 50.7476 40.2294 175.7710 21 G 3.8156 6.9595 108.1783 46.0577 0.0000 168.4178 22 A 5.0220 7.9002 122.0567 51.1407 20.7882 177.0604 23 I 4.8440 8.8725 123.0718 59.3757 41.0786 174.5427 24 L 4.7848 8.9005 130.2847 54.0032 42.7015 175.0780 25 V 4.4080 8.7808 127.6456 61.7551 33.5005 174.0780 26 D 5.1539 8.7268 127.7259 52.6787 43.2995 174.6922 27 F 5.4213 9.1883 126.7756 56.3689 40.5948 175.3410 28 W 5.3808 8.7523 119.0710 55.8629 32.1233 172.9960 29 A 3.9728 8.0383 120.1206 49.9388 21.5048 177.0719 30 E 4.0732 8.2924 121.0035 58.8666 29.9232 178.3410 31 W 4.3263 7.4471 113.8859 57.9836 29.0665 176.9524 32 C 4.6557 7.4288 120.2060 55.3442 43.8805 173.6755 33 G 3.6804 8.7726 115.5632 47.7220 0.0000 172.3834 34 P 4.2858 0.0000 0.0000 65.2783 31.1814 179.2330 35 C 4.2330 8.1753 114.6007 60.2390 40.0073 176.3441 36 K 3.7322 7.7666 117.9011 59.3673 31.6371 179.0660 37 M 4.1837 7.8798 118.9379 57.8630 32.1318 177.9541 38 I 4.0291 7.5401 111.5411 61.7143 38.2495 177.6362 39 A 3.7464 7.4644 124.0259 54.8937 18.0822 177.8024 40 P 4.3520 0.0000 0.0000 66.0574 31.0764 178.5586 41 I 3.7731 7.4959 119.2937 64.1001 37.0440 178.0847 42 L 3.9292 8.0801 120.0782 57.5973 41.2463 178.9863 43 D 4.3408 8.1112 118.9888 57.6037 40.7545 178.8251 44 D 4.3770 7.7395 119.0497 57.4229 40.8521 178.9086 45 I 3.8770 8.0258 120.1876 64.3771 36.9137 178.0597 46 A 4.0282 7.9833 120.5116 55.5093 18.0581 179.2030 47 D 4.4486 7.8443 117.0463 57.7856 40.7703 179.0424 48 E 4.0255 8.3414 117.4571 58.3751 29.2288 177.8086 49 Y 4.6334 8.3790 117.0736 56.2657 39.4571 175.4636 50 Q 4.0761 7.1507 118.8490 57.8356 29.1918 177.9835 51 G 4.0284 8.9836 110.4863 45.5084 0.0000 174.0191 52 K 4.3813 7.8510 117.6300 57.7647 33.4607 175.9634 53 L 4.7065 7.6536 115.4239 55.2578 43.7338 174.7011 54 T 4.6414 8.4586 116.2752 61.7633 71.6120 173.6936 55 V 4.5096 8.2450 125.0701 61.9609 33.4048 174.4178 56 A 5.1520 8.9997 128.5752 50.0740 22.9145 174.7589 57 K 4.9086 9.1054 120.3676 54.4038 36.1058 175.1578 58 L 5.0129 9.1749 126.1975 53.1135 45.1104 174.8561 59 N 4.1173 8.7795 126.5918 52.9754 39.7021 175.1278 60 I 4.2408 8.6202 120.1994 61.7565 38.2768 177.4730 61 D 4.6032 8.0191 122.3456 56.5102 41.7288 177.7619 62 Q 4.1479 8.0366 116.9275 57.6738 29.2460 175.8257 63 N 5.0012 8.1731 116.2258 50.4737 38.7214 172.9013 64 P 4.6719 0.0000 0.0000 64.2398 32.3938 179.1637 65 G 3.6886 8.7583 108.6752 48.9031 0.0000 175.1953 66 T 3.8258 8.2392 117.3327 66.1170 68.9341 176.7110 67 A 3.5351 8.0694 122.7988 54.6698 17.8651 177.6192 68 P 4.1531 0.0000 0.0000 65.7453 31.0759 178.8837 69 K 3.8723 7.5573 116.5169 58.3845 30.5067 177.3785 70 Y 4.4686 7.4101 115.3934 57.1984 38.2003 176.6411 71 G 3.9394 7.7721 105.9764 46.1588 0.0000 174.4334 72 I 3.7269 6.9755 120.1195 61.2037 36.7809 174.4514 73 R 4.4550 7.7693 121.7057 57.0292 33.5902 175.9387 74 G 3.8157 8.0613 110.5412 45.8447 0.0000 172.4601 75 I 4.7714 7.9735 115.5710 57.5360 40.7638 173.4613 76 P 4.7621 0.0000 0.0000 63.4748 32.6869 174.9170 77 T 5.0561 8.7548 118.3517 61.9033 71.6878 172.8268 78 L 5.1308 9.1081 126.9975 53.1845 43.9791 175.3311 79 L 5.1293 8.9517 124.7089 52.8155 44.3709 175.4391 80 L 4.7561 9.2161 127.7482 54.5680 43.1810 175.3192 81 F 5.0823 9.7130 126.2206 55.9794 41.6355 175.3467 82 K 4.7410 8.9350 121.9632 54.6953 34.7938 176.2029 83 N 4.8341 9.6818 124.4704 53.0527 36.7241 176.3055 84 G 4.1545 8.8839 104.9459 45.1179 0.0000 173.6429 85 E 4.7528 7.9752 119.4037 54.0098 31.9057 175.5499 86 V 3.5437 8.3416 123.3514 62.8449 31.9907 175.0706 87 A 4.5183 8.8709 129.4428 53.5633 20.3236 177.1536 88 A 4.7320 7.5746 115.0215 51.0184 22.8557 175.5046 89 T 5.1351 8.7653 117.2044 61.6499 72.1827 173.5731 90 K 4.3070 8.9909 126.4818 54.7123 35.4126 174.7186 91 V 4.6078 8.7393 127.4619 62.3123 33.4986 175.8294 92 G 3.8781 9.3262 113.6085 44.5899 0.0000 172.5882 93 A 4.2560 7.9751 121.2647 51.9663 19.0629 176.5265 94 L 4.4713 7.7304 118.6004 53.6446 43.0490 175.4573 95 S 4.5164 8.8058 115.8092 57.0159 65.5122 175.1425 96 K 3.9633 8.5287 121.8044 59.6678 31.9573 178.4153 97 G 3.7403 8.1412 105.3338 48.1771 0.0000 175.4091 98 Q 4.0608 8.1690 120.7139 58.4305 28.6309 178.6573 99 L 3.9968 8.3023 121.7462 58.0010 42.1714 178.9732 100 K 4.1131 8.3231 120.1044 58.9364 32.0712 178.8161 101 E 3.9693 8.1446 118.9465 59.1572 29.6528 178.3548 102 F 4.1374 8.3819 120.7080 61.4701 39.3817 177.2333 103 L 3.6968 8.2666 118.4695 57.9253 41.2690 178.9774 104 D 4.4848 8.4498 117.4758 57.6150 40.8365 178.7269 105 A 4.0987 7.7818 120.0723 54.7372 18.5350 178.6977 106 N 4.4687 7.5154 112.0842 54.3215 39.1643 177.0683 107 L 4.1066 8.1350 119.8292 56.4643 41.8520 176.6698 108 A 4.1785 7.7891 125.8592 52.2792 18.6154 176.9750 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 S 8.33 4.68 0.00 4.04 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 D 7.66 4.56 0.00 2.67 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.57 4.31 0.00 2.02 1.82 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.37 1.01 7.81 4 I 7.50 4.22 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.41 0.67 0.00 0.00 5 I 8.39 3.88 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.59 0.87 0.00 0.00 6 H 8.76 4.88 0.00 3.08 3.35 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.60 4.55 0.00 1.76 1.74 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.50 5.08 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 9 D 8.69 4.54 0.00 2.70 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.13 4.59 0.00 2.68 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 7.83 4.57 0.00 4.05 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 7.87 3.97 0.00 3.45 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.28 4.36 0.00 2.92 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.74 3.82 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 15 D 7.92 4.37 0.00 2.55 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.22 3.72 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 -0.06 0.00 0.00 17 L 7.45 4.09 0.00 1.95 1.77 1.22 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.74 4.35 0.00 1.87 1.80 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.49 7.81 19 A 7.39 4.05 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.00 5.19 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 6.96 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.90 5.02 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.87 4.84 1.71 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.05 0.81 0.00 0.00 24 L 8.90 4.78 0.00 1.68 1.54 0.87 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.78 4.41 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.63 0.00 0.00 26 D 8.73 5.15 0.00 2.73 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 9.19 5.42 0.00 3.07 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 W 8.75 5.38 0.00 3.41 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.04 3.97 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.29 4.07 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 31 W 7.45 4.33 0.00 3.56 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 C 7.43 4.66 0.00 1.88 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.77 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.29 0.00 2.18 2.14 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 35 C 8.18 4.23 0.00 3.20 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.77 3.73 0.00 1.90 1.86 0.00 1.75 0.00 0.00 2.04 0.00 0.00 3.17 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.67 7.81 37 M 7.88 4.18 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.80 0.00 38 I 7.54 4.03 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.63 0.96 0.00 0.00 39 A 7.46 3.75 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.35 0.00 2.24 2.29 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 41 I 7.50 3.77 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.57 0.89 0.00 0.00 42 L 8.08 3.93 0.00 1.70 1.60 0.76 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.11 4.34 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.74 4.38 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.03 3.88 1.85 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.81 0.76 0.00 0.00 46 A 7.98 4.03 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.84 4.45 0.00 2.91 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.34 4.03 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.70 0.00 49 Y 8.38 4.63 0.00 3.05 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 7.15 4.08 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.62 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 51 G 8.98 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.85 4.38 0.00 2.07 2.01 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.42 7.81 53 L 7.65 4.71 0.00 1.78 1.60 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.46 4.64 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 55 V 8.24 4.51 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.88 0.00 0.00 56 A 9.00 5.15 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 9.11 4.91 0.00 1.66 1.79 0.00 1.35 0.00 0.00 1.38 0.00 0.00 2.27 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.18 7.81 58 L 9.17 5.01 0.00 1.67 1.40 1.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.78 4.12 0.00 2.30 2.49 0.00 0.00 6.92 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.62 4.24 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.08 1.11 0.00 0.00 61 D 8.02 4.60 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.04 4.15 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.04 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 63 N 8.17 5.00 0.00 2.90 3.06 0.00 0.00 6.66 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.67 0.00 2.17 2.17 0.00 3.52 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 65 G 8.76 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.24 3.83 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 67 A 8.07 3.54 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.15 0.00 2.08 2.07 0.00 3.57 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 69 K 7.56 3.87 0.00 1.26 1.30 0.00 1.54 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.32 7.81 70 Y 7.41 4.47 0.00 2.87 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.77 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 6.98 3.73 1.63 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.27 0.84 0.00 0.00 73 R 7.77 4.45 0.00 1.75 1.77 0.00 3.38 0.00 0.00 3.23 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 74 G 8.06 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.97 4.77 1.88 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.74 1.03 0.00 0.00 76 P 0.00 4.76 0.00 2.15 2.25 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 77 T 8.75 5.06 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 78 L 9.11 5.13 0.00 1.36 1.55 0.77 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.95 5.13 0.00 1.86 1.35 1.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 80 L 9.22 4.76 0.00 1.80 1.50 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 81 F 9.71 5.08 0.00 2.99 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.93 4.74 0.00 1.65 1.70 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.37 7.81 83 N 9.68 4.83 0.00 2.88 2.88 0.00 0.00 7.02 8.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.88 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.98 4.75 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 86 V 8.34 3.54 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.05 0.00 0.00 87 A 8.87 4.52 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.57 4.73 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.77 5.14 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 90 K 8.99 4.31 0.00 0.79 0.94 0.00 1.47 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.79 1.13 7.81 91 V 8.74 4.61 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.93 0.00 0.00 92 G 9.33 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.98 4.26 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.73 4.47 0.00 1.84 1.55 0.84 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.81 4.52 0.00 4.07 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.53 3.96 0.00 1.85 1.87 0.00 1.75 0.00 0.00 1.84 0.00 0.00 3.22 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.54 7.81 97 G 8.14 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.17 4.06 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 99 L 8.30 4.00 0.00 1.82 1.80 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.32 4.11 0.00 2.08 2.00 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.78 1.60 7.81 101 E 8.14 3.97 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 102 F 8.38 4.14 0.00 3.11 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.27 3.70 0.00 1.62 1.38 0.32 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.45 4.48 0.00 2.67 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.78 4.10 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 7.52 4.47 0.00 2.30 2.55 0.00 0.00 7.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.14 4.11 0.00 1.64 1.73 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.79 4.18 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00