NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4240 8.2893 120.3490 55.6758 33.1512 174.2401 2 E 4.5732 8.1662 123.1907 55.7169 32.5220 172.6306 3 A 4.4496 8.1794 119.9511 50.8200 22.5942 177.5457 4 K 4.6972 8.6852 123.8521 56.3277 34.0071 177.6465 5 A 4.7070 8.7084 125.1318 51.0390 20.0271 180.5232 6 I 4.0150 10.7882 113.2354 63.9282 35.8625 173.0586 7 A 4.2514 7.5712 117.6681 51.9563 19.7305 176.4888 8 R 4.1639 8.3956 120.2499 57.2835 31.4257 176.5307 9 Y 3.6040 8.6038 115.0928 59.4299 34.7771 170.7070 10 V 3.4376 8.0706 119.7043 63.0267 33.0541 175.1053 11 R 3.6036 8.4572 117.6550 55.1467 27.6103 175.3034 12 I 4.0962 7.7051 111.6230 60.3119 42.4838 173.2471 13 S 3.8444 8.3633 120.7884 57.3199 62.6510 172.1292 14 P 4.1897 0.0000 0.0000 66.3804 31.6255 178.7845 15 R 4.0201 7.8584 116.7175 59.3005 30.2496 178.3787 16 K 4.0823 7.4051 115.5675 59.5852 32.4078 179.3762 17 V 3.7895 7.5888 117.7158 65.9849 31.3965 177.8505 18 R 3.9416 8.3934 115.4009 57.6834 30.1331 176.7390 19 L 4.4181 8.3004 119.5572 57.6392 42.7420 178.4383 20 V 3.9328 7.6307 108.6001 62.7260 31.8458 177.3479 21 V 3.8563 7.7188 120.1495 65.2087 31.7604 176.4660 22 D 4.8270 7.7943 117.6125 54.1572 40.3898 176.4923 23 L 4.6843 7.8843 119.7358 54.7355 43.5442 176.4131 24 I 4.4778 7.4598 108.6940 60.6377 38.9077 174.6394 25 R 3.8747 7.5572 121.3127 59.9284 28.3419 175.2424 26 G 4.2530 8.7979 112.3042 45.1768 0.0000 171.6149 27 K 4.6571 8.0814 120.6596 54.4086 35.0331 174.8442 28 S 4.8872 8.4024 114.4231 57.9804 65.4716 174.1658 29 L 4.0732 8.5238 120.2394 58.6459 41.7466 178.6358 30 E 3.7506 8.1607 117.3099 59.2653 29.8356 178.2578 31 E 4.1041 8.0820 118.2573 59.4950 29.4810 178.7516 32 A 3.9718 7.6034 119.1881 55.5555 18.2765 179.7100 33 R 3.8562 8.7216 116.4728 59.1477 29.9281 178.1689 34 N 4.6788 7.7750 115.6583 55.8390 39.3282 176.3533 35 I 3.8489 8.4285 121.6625 64.4361 36.8574 177.2493 36 L 4.2320 7.6273 123.4261 57.6534 40.7565 178.6928 37 R 3.9960 7.4440 119.2570 58.4153 30.3748 176.0469 38 Y 4.8704 7.9000 116.0026 58.0276 38.5365 176.5391 39 T 4.4686 7.7505 116.5643 61.3934 70.4686 173.4677 40 N 4.4968 8.8323 125.6939 52.5749 39.6003 174.6792 41 K 4.6164 8.0719 127.5237 56.3659 35.0266 176.2455 42 R 4.3293 8.6968 123.2787 56.5376 29.4101 177.1227 43 G 4.1776 9.2592 106.0521 44.2665 0.0000 175.4135 44 A 3.9928 7.8729 122.1460 55.0310 18.2479 178.3674 45 Y 4.0393 7.9853 116.3978 61.2626 38.4949 178.9137 46 F 4.5952 8.1386 117.7198 60.7020 38.9327 177.7722 47 V 3.4452 8.1232 116.8141 65.4255 31.4838 177.5911 48 A 4.2258 7.7618 120.8022 54.6538 18.4351 179.0221 49 K 4.2648 7.5080 113.3404 57.2362 31.9762 177.8441 50 V 4.3929 7.1012 117.1024 61.1182 32.0574 175.5723 51 L 4.4492 8.5047 122.9308 57.2777 43.3405 178.5709 52 E 4.1767 8.0010 117.6590 59.4424 29.5927 179.0451 53 S 4.4615 8.0001 109.2601 58.5380 61.6450 173.9759 54 A 4.5899 8.4673 118.2472 51.0599 21.2692 177.6174 55 A 4.3030 7.6211 119.2592 53.9600 19.7208 179.0384 56 A 4.3077 7.8851 116.0744 53.4920 18.6152 177.8614 57 N 5.3036 7.9952 111.9890 52.8725 39.2591 174.7554 58 A 4.7476 8.2753 118.6884 51.5179 20.8128 177.9287 59 V 4.4903 7.5232 115.4298 63.8451 32.9932 176.3626 60 N 4.0338 8.5772 116.0227 57.8060 40.0952 176.0845 61 N 4.5378 7.9432 117.1736 56.4021 38.9677 176.4147 62 H 4.4544 7.8411 110.1243 57.0449 30.7507 174.5298 63 D 4.1565 9.9841 114.9961 54.8056 37.4956 174.0238 64 M 4.7284 8.0245 124.4922 52.8242 34.4530 173.4943 65 L 3.3750 8.2483 123.3093 54.9411 41.4589 174.2663 66 E 3.9438 8.8155 126.9390 59.5962 29.5657 178.3731 67 D 4.7021 8.0856 115.4649 55.9523 41.4042 177.0022 68 R 4.3822 7.9648 118.3932 57.7314 31.0816 176.6224 69 L 5.1295 7.4636 115.1802 54.8228 42.6321 175.8252 70 Y 4.5305 7.6320 116.6105 56.9211 40.9132 172.8362 71 V 4.1903 8.5309 120.6860 61.5050 32.0039 176.3589 72 K 4.4569 8.3625 126.1735 56.9514 31.9095 177.4458 73 A 4.4319 7.3295 122.4975 52.6882 23.1154 175.0668 74 A 5.1582 7.6565 120.2490 52.1293 21.5644 176.2355 75 Y 4.9358 8.1196 120.1724 55.5312 41.5154 174.7131 76 V 4.0562 8.5425 124.0075 60.8662 33.1126 174.8105 77 D 4.9759 8.7270 122.8374 52.4078 44.2609 174.2008 78 E 4.5596 8.8725 126.0167 54.7106 30.6729 176.4239 79 G 3.9455 8.7318 114.7410 45.0408 0.0000 173.3280 80 P 4.3598 0.0000 0.0000 61.1803 31.7340 175.6041 81 A 4.0878 8.3836 126.2468 51.1906 19.1659 176.6239 82 L 3.9536 8.5547 123.3366 55.1786 42.8246 176.5138 83 K 4.6492 8.5827 124.5278 55.6679 32.9795 176.6607 84 R 4.7611 9.1062 123.8542 54.2619 34.5684 174.6832 85 V 4.4758 8.2793 120.4933 61.9276 32.8950 175.1696 86 L 4.6646 8.7030 128.2100 52.5024 44.4959 174.1339 87 P 4.4025 0.0000 0.0000 63.4552 32.5163 175.1032 88 R 4.5869 8.2098 119.4111 55.2215 33.5338 173.3910 89 A 4.0407 8.8473 121.9072 54.2236 18.7462 177.7177 90 R 3.6816 9.1553 118.9773 60.6674 28.1313 178.3530 91 G 3.9447 7.4232 99.3315 47.1757 0.0000 174.9249 92 R 4.4363 7.4701 133.1279 56.0354 29.3519 179.1410 93 A 4.3445 8.2804 130.1550 52.6398 21.1579 175.3647 94 D 4.8910 8.5559 122.4880 53.0124 43.8586 176.1099 95 I 4.4647 8.4501 118.6220 60.2220 38.2021 174.9749 96 I 4.1071 9.0019 129.6056 59.9679 39.3438 174.6912 97 K 4.7417 8.5735 129.5792 54.2789 32.2000 177.9711 98 K 4.3952 8.9811 131.0553 59.7861 29.2010 177.4715 99 R 3.6982 6.7709 119.3195 51.8029 32.7446 177.0246 100 T 4.9245 8.3387 115.9577 60.7669 71.6854 172.5102 101 S 4.9593 8.3154 121.0294 57.2805 68.0594 172.3839 102 H 5.2304 8.8588 119.8577 54.1070 30.3814 173.6543 103 I 4.6108 8.0838 124.6646 60.1702 38.9837 175.0406 104 T 4.8651 7.8489 115.2727 60.2334 72.2314 173.1860 105 V 4.6921 7.9055 120.9810 61.7640 35.5594 172.8176 106 I 5.4343 8.2800 119.2695 58.7338 40.1059 174.9110 107 L 4.6430 8.1801 128.2084 54.6548 44.7748 175.4711 108 G 3.7311 8.2974 103.4323 45.7995 0.0000 173.2758 109 E 4.3214 8.2779 122.1777 57.5183 30.7683 175.0063 110 K 4.1771 9.5221 126.4344 57.5753 30.5042 178.7356 111 H 4.4991 9.5861 114.7005 56.3341 30.0141 174.6693 112 G 3.8616 8.3315 106.5793 46.8556 0.0000 173.5611 113 K 4.0444 8.8366 121.8742 55.2656 31.5495 172.6816 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 M 8.29 4.42 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.68 0.00 2 E 8.17 4.57 0.00 1.97 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 2.09 2.33 0.00 3 A 8.18 4.45 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.69 4.70 0.00 1.76 1.68 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.44 7.81 5 A 8.71 4.71 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 10.79 4.01 1.83 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 1.22 0.81 0.91 0.00 0.00 7 A 7.57 4.25 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.40 4.16 0.00 1.76 2.03 0.00 3.27 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 9 Y 8.60 3.60 0.00 2.84 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.07 3.44 2.05 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 -0.10 0.00 0.00 0.81 0.00 0.00 11 R 8.46 3.60 0.00 2.01 2.00 0.00 3.50 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.69 0.00 12 I 7.71 4.10 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.74 0.93 0.00 0.00 13 S 8.36 3.84 0.00 3.90 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 14 P 0.00 4.19 0.00 2.21 2.05 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.09 0.00 15 R 7.86 4.02 0.00 1.79 2.01 0.00 3.23 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 16 K 7.41 4.08 0.00 1.98 1.92 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.48 7.81 17 V 7.59 3.79 2.12 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 0.96 0.00 0.00 1.02 0.00 0.00 18 R 8.39 3.94 0.00 1.87 1.96 0.00 3.32 0.00 0.00 3.19 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 19 L 8.30 4.42 0.00 2.07 1.65 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.63 3.93 2.12 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 0.76 0.00 0.00 1.02 0.00 0.00 21 V 7.72 3.86 2.12 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 1.06 0.00 0.00 1.02 0.00 0.00 22 D 7.79 4.83 0.00 2.84 2.69 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 23 L 7.88 4.68 0.00 1.57 1.79 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.46 4.48 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.64 1.00 0.00 0.00 25 R 7.56 3.87 0.00 2.00 1.98 0.00 3.27 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 26 G 8.80 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.08 4.66 0.00 2.02 1.89 0.00 1.68 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.35 7.81 28 S 8.40 4.89 0.00 4.08 4.08 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.52 4.07 0.00 1.81 1.72 0.96 0.78 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 30 E 8.16 3.75 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 31 E 8.08 4.10 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 32 A 7.60 3.97 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.72 3.86 0.00 1.73 2.03 0.00 3.15 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 34 N 7.77 4.68 0.00 3.07 2.92 0.00 0.00 6.83 7.21 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 35 I 8.43 3.85 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.04 0.95 0.00 0.00 36 L 7.63 4.23 0.00 1.81 1.82 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.44 4.00 0.00 1.85 2.01 0.00 3.00 0.00 0.00 2.97 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.32 0.00 38 Y 7.90 4.87 0.00 3.04 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.75 4.47 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 40 N 8.83 4.50 0.00 2.70 2.76 0.00 0.00 7.13 6.68 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 41 K 8.07 4.62 0.00 1.88 1.79 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.16 7.81 42 R 8.70 4.33 0.00 1.75 1.94 0.00 3.16 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 43 G 9.26 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 0.00 0.00 0.00 0.00 44 A 7.87 3.99 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.99 4.04 0.00 2.87 2.67 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 0.00 0.00 0.00 0.00 46 F 8.14 4.60 0.00 3.22 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.12 3.45 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.03 0.00 0.00 48 A 7.76 4.23 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 49 K 7.51 4.26 0.00 1.51 1.82 0.00 0.76 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.19 7.81 50 V 7.10 4.39 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.94 0.00 0.00 51 L 8.50 4.45 0.00 1.92 1.79 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.00 4.18 0.00 2.08 1.95 0.00 0.00 0.00 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 2.34 0.00 53 S 8.00 4.46 0.00 3.89 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 54 A 8.47 4.59 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.62 4.30 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.89 4.31 1.29 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 0.00 0.00 57 N 8.00 5.30 0.00 2.67 2.78 0.00 0.00 6.69 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.28 4.75 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 59 V 7.52 4.49 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.00 0.00 0.00 60 N 8.58 4.03 0.00 2.75 2.98 0.00 0.00 6.91 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.94 4.54 0.00 2.72 2.96 0.00 0.00 6.96 8.04 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 62 H 7.84 4.45 0.00 3.08 3.23 0.00 5.85 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 9.98 4.16 0.00 2.86 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.02 4.73 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.48 0.00 65 L 8.25 3.38 0.00 1.84 1.60 0.98 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.82 3.94 0.00 2.04 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 2.40 2.36 0.00 67 D 8.09 4.70 0.00 2.78 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 68 R 7.96 4.38 0.00 2.08 2.04 0.00 3.09 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.53 0.00 69 L 7.46 5.13 0.00 1.73 1.60 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 7.63 4.53 0.00 3.26 3.04 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 71 V 8.53 4.19 2.23 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 1.00 0.00 0.00 1.09 0.00 0.00 72 K 8.36 4.46 0.00 1.69 1.82 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 0.80 7.81 73 A 7.33 4.43 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.66 5.16 1.29 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 0.00 0.00 75 Y 8.12 4.94 0.00 3.06 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.54 4.06 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 0.73 0.00 0.00 0.89 0.00 0.00 77 D 8.73 4.98 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.87 4.56 0.00 1.98 1.79 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 2.20 2.49 0.00 79 G 8.73 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.36 0.00 2.06 1.97 0.00 3.43 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 81 A 8.38 4.09 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 82 L 8.55 3.95 0.00 1.63 1.61 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.58 4.65 0.00 1.62 1.74 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.66 7.81 84 R 9.11 4.76 0.00 1.74 1.76 0.00 3.27 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 85 V 8.28 4.48 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.93 0.00 0.00 86 L 8.70 4.66 0.00 1.75 1.67 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.40 0.00 1.97 1.98 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 88 R 8.21 4.59 0.00 1.89 1.75 0.00 3.25 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 89 A 8.85 4.04 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 90 R 9.16 3.68 0.00 1.90 1.96 0.00 3.29 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 91 G 7.42 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 92 R 7.47 4.44 0.00 1.93 1.62 0.00 3.53 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 93 A 8.28 4.34 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.56 4.89 0.00 2.78 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.45 4.46 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.53 0.90 0.00 0.00 96 I 9.00 4.11 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.53 0.94 0.00 0.00 97 K 8.57 4.74 0.00 1.66 1.75 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.44 7.81 98 K 8.98 4.40 0.00 1.69 1.78 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.41 7.81 99 R 6.77 3.70 0.00 1.73 1.90 0.00 3.62 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.62 0.00 100 T 8.34 4.92 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 1.03 0.00 0.00 101 S 8.32 4.96 0.00 3.69 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 0.00 102 H 8.86 5.23 0.00 3.15 3.41 0.00 5.44 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.08 4.61 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.66 0.88 0.00 0.00 104 T 7.85 4.87 4.12 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 0.94 0.00 0.00 105 V 7.91 4.69 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.95 0.00 0.00 106 I 8.28 5.43 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.13 0.99 0.00 0.00 107 L 8.18 4.64 0.00 1.56 1.64 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.30 3.73 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 0.00 0.00 0.00 109 E 8.28 4.32 0.00 1.94 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 2.60 2.27 0.00 110 K 9.52 4.18 0.00 2.02 1.67 0.00 1.74 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.47 7.81 111 H 9.59 4.50 0.00 3.32 3.35 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.33 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.84 4.04 0.00 1.78 1.63 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.37 1.04 7.81