NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.2130 8.2549 117.2809 55.9314 30.6312 174.8555 7 T 3.8617 8.4880 119.8744 62.1779 68.2216 171.7271 8 P 4.3802 0.0000 0.0000 63.5454 32.5381 178.1233 9 S 5.8773 8.5511 122.8612 59.4757 60.7976 176.5659 10 D 4.8274 8.0858 118.5702 54.0505 39.5664 175.5301 11 K 4.1903 7.8005 118.8433 55.0127 32.8295 174.9505 12 P 4.7238 0.0000 0.0000 63.2689 32.4197 175.5395 13 V 5.0409 8.3363 120.7711 61.0665 35.4499 172.8033 14 A 4.6312 8.6279 120.0274 51.5993 23.3190 175.2910 15 H 4.8498 9.2427 122.1923 54.8011 32.2930 172.3849 16 V 4.8909 8.6699 119.6352 59.5911 34.3659 175.4542 17 V 5.3782 8.7421 121.6939 59.6597 35.1159 174.6168 18 A 4.4852 8.6481 123.4046 51.9076 18.8096 176.9145 19 N 4.3968 8.9133 121.7042 52.5095 39.2943 174.3782 20 P 2.9700 0.0000 0.0000 64.3405 31.7298 177.0572 21 Q 4.0621 7.7141 116.7458 56.3793 29.6668 175.4921 22 A 4.7431 7.1304 118.6707 50.3706 18.6867 175.9230 23 E 4.3240 7.9213 119.6897 57.5051 30.3355 179.0576 24 G 3.9734 9.1540 108.1539 45.7194 0.0000 172.7529 25 Q 4.4911 7.7271 115.4353 54.4444 31.7928 174.8898 26 L 4.2481 8.1056 120.0552 52.9187 41.8693 173.4220 27 Q 4.5773 7.8513 125.3121 53.6270 31.2970 173.8094 28 W 5.3822 8.9905 126.9440 56.1771 30.3517 175.7767 29 L 5.1793 9.5630 123.4711 53.1042 45.4840 176.7722 30 N 5.0125 8.9325 115.8040 52.5495 38.7928 174.4928 31 R 4.3791 7.7995 116.1123 56.6409 29.7680 175.1303 32 R 4.6640 7.3147 114.9686 55.1854 34.3609 175.4988 33 A 3.1784 7.4395 115.8195 54.2797 19.6971 178.0944 34 N 4.8702 8.2600 115.2135 51.2543 38.8831 173.2490 35 A 5.1050 7.4667 119.4918 50.3042 23.0719 176.8411 36 L 4.6537 8.7571 117.7463 53.7993 46.6250 175.9482 37 L 4.4785 8.0919 119.1026 54.5705 43.4739 172.6986 38 A 4.7030 8.6619 125.7505 49.1033 23.9392 174.9650 39 N 4.3934 9.9651 112.8352 55.0529 36.2277 174.9818 40 G 4.2315 8.6127 107.3610 45.8625 0.0000 175.6681 41 V 4.0463 7.6134 118.3474 61.6682 32.1921 175.7764 42 E 4.7294 8.7343 121.8968 54.5094 33.3243 174.9956 43 L 4.9638 8.4930 124.1067 53.5859 43.3492 175.2591 44 R 4.5539 8.8798 127.1817 55.6206 32.4484 175.2040 45 D 4.4895 9.7447 124.1988 55.5191 38.5544 173.1902 46 N 4.5460 8.6466 111.8718 54.5643 37.4403 173.0302 47 Q 4.9545 8.1225 113.7088 53.5763 33.5615 174.3143 48 L 4.7676 8.5961 122.0665 54.0432 43.7621 175.9262 49 V 4.7549 8.5517 123.3917 60.7609 34.0715 174.8692 50 V 3.9616 8.3204 129.3635 62.4701 32.0511 174.7670 51 P 4.6083 0.0000 0.0000 63.3294 32.1132 175.3841 52 S 4.6421 7.3819 112.2486 57.1709 65.9318 174.5887 53 E 4.2831 8.7872 121.0781 56.2164 29.9414 177.0535 54 G 4.5842 7.6335 110.2186 44.5808 0.0000 171.1315 55 L 5.0508 7.7072 119.7825 54.0321 43.1796 175.9208 56 Y 5.2030 9.4632 121.1696 56.0809 42.4287 174.1441 57 L 5.0199 9.0532 125.7173 54.1134 43.8386 175.1492 58 I 5.2507 9.0127 127.6670 59.9411 40.3298 174.2648 59 Y 5.2892 8.2124 122.4946 56.6536 41.8409 173.2218 60 S 4.9276 8.4158 112.4775 57.7981 66.7493 173.7833 61 Q 5.4168 8.4760 125.6967 53.7356 32.6328 173.9816 62 V 4.6534 8.2412 117.6079 59.2711 36.3904 174.1210 63 L 4.8464 8.0127 124.3011 53.4562 44.6861 175.0837 64 F 5.2492 9.2044 125.8379 56.3937 41.1676 175.0546 65 K 4.1544 9.0032 123.0494 54.6529 35.3590 175.6122 66 G 3.4016 6.3373 112.4947 44.2561 0.0000 171.3526 67 Q 4.3669 8.6577 122.5088 55.6241 29.6496 177.4530 68 G 3.9684 8.3221 114.3382 45.8488 0.0000 171.0748 69 C 5.2157 8.4669 114.3718 54.4963 43.3185 174.1442 70 P 4.4751 0.0000 0.0000 62.7340 31.3854 174.8870 71 S 4.5804 8.2639 117.7240 58.2573 66.1313 178.1525 72 T 3.1287 8.9368 117.7410 64.1110 68.4237 173.7269 73 H 4.8273 9.0032 123.9924 55.2519 33.7029 171.2711 74 V 4.3359 7.8831 125.1386 60.8243 33.6402 174.2960 75 L 4.6586 8.3075 126.1236 52.8293 44.1811 175.5204 76 L 4.6789 8.5329 123.5429 52.9610 44.3449 175.5928 77 T 5.1824 9.5694 113.9399 60.1006 72.3549 172.3389 78 H 5.5351 9.0080 123.3406 54.9025 33.4919 171.9384 79 T 4.9406 8.8357 118.6709 61.0041 71.4633 171.9479 80 I 4.7997 8.7829 129.6422 59.9823 39.2171 175.0033 81 S 5.1666 8.9438 123.4093 56.6847 66.3470 173.0162 82 R 4.9437 8.7420 122.4178 54.4716 33.1179 174.4460 83 I 5.0402 8.8106 119.3244 57.8545 39.4519 174.9293 84 A 4.6618 8.4201 130.9459 51.7439 19.1586 178.5569 85 V 3.6078 8.6288 120.8948 65.8353 31.6810 177.3625 86 S 4.6556 7.8286 113.5548 58.4348 63.0158 174.3631 87 Y 4.9131 7.5089 117.7745 56.8328 40.8790 173.7262 88 Q 4.2731 7.8112 124.7572 55.4783 27.6129 176.1808 89 T 4.5023 6.9981 114.6564 61.6335 73.7725 173.9656 90 K 4.3919 8.6895 125.6925 56.8993 32.8020 176.6987 91 V 4.5056 8.5851 118.2136 59.2461 35.1601 174.9517 92 N 4.5612 8.9459 123.2440 53.7363 38.5292 174.5526 93 L 4.4786 8.7739 123.7190 55.9207 43.4401 177.1879 94 L 4.9435 7.4008 116.8927 53.2681 46.0685 175.5404 95 S 5.1281 8.5244 114.7532 57.6134 65.3997 173.2355 96 A 4.8789 9.0052 126.1442 50.7263 22.9647 175.0095 97 I 5.1035 8.2475 118.7168 59.5760 41.2723 175.1247 98 K 4.5716 9.1316 126.0545 55.0121 36.0185 175.1624 99 S 4.4425 8.5213 122.6036 56.0724 62.7939 171.9963 100 P 3.5877 0.0000 0.0000 65.2869 31.3543 177.3783 101 C 4.3452 6.9223 124.3738 55.5158 38.8101 174.4554 102 Q 4.1495 8.5022 128.8574 56.1072 28.0345 178.1750 103 R 4.3942 8.1680 115.4805 56.4400 29.5179 175.9268 104 E 3.9015 7.7827 114.0947 59.8754 29.2802 176.6870 105 T 3.0975 8.0710 108.6792 60.5796 68.6236 169.0491 106 P 4.1314 0.0000 0.0000 62.5025 31.3859 175.2189 107 E 4.0070 9.0216 125.2020 57.8572 29.4008 178.1044 108 G 4.4643 7.1385 116.1700 45.9066 0.0000 171.9823 109 A 4.5864 7.2246 123.5909 52.4982 22.3418 174.3802 110 E 4.1465 8.4803 120.8182 54.3588 25.8765 177.0897 111 A 3.6346 8.7144 125.3723 53.1533 14.7264 178.0259 112 K 4.4816 7.8757 121.5195 55.2120 34.0793 174.2727 113 P 5.0712 0.0000 0.0000 62.1823 32.8691 175.4240 114 W 5.2947 8.3928 117.6440 54.9900 31.5460 173.6142 115 Y 5.3130 9.0988 118.8549 56.4283 40.8159 175.0453 116 E 4.7729 9.7761 124.8885 54.5655 32.5846 172.3328 117 P 5.4105 0.0000 0.0000 61.9710 33.9960 175.2545 118 I 4.7989 8.5998 120.9659 60.1114 41.3620 173.5255 119 Y 5.1620 8.9217 127.6746 55.8717 41.4055 174.6330 120 L 4.8126 7.5686 124.2603 53.0923 46.2643 175.7037 121 G 4.3729 8.4616 106.0621 45.9162 0.0000 172.5172 122 G 4.2646 8.7621 109.5286 45.7884 0.0000 171.9438 123 V 5.0388 8.1075 119.9291 61.3894 33.1526 174.9339 124 F 4.9445 9.3007 125.0046 55.8568 43.9537 173.2605 125 Q 4.8827 8.8999 123.1224 55.7042 29.7898 174.8930 126 L 5.0801 9.3986 126.2567 53.0693 45.9946 175.5047 127 E 5.6465 9.8621 121.8013 53.8752 32.0084 175.8254 128 K 4.1115 8.7540 123.8940 58.1030 32.5342 176.9279 129 G 4.0699 8.9947 115.2180 45.1741 0.0000 173.6221 130 D 4.6494 8.1042 120.0054 54.7140 42.3391 175.5630 131 R 5.0233 8.6329 120.5822 54.4892 32.9248 174.8493 132 L 5.2029 9.0260 124.3455 53.1061 44.5128 175.7013 133 S 5.0018 9.0170 118.4786 56.6291 66.6936 173.1727 134 A 4.5920 8.4083 124.8723 50.1594 20.1426 174.8438 135 E 4.9666 8.9950 120.2568 55.2943 33.6230 175.2292 136 I 5.6591 8.3702 113.3381 58.4243 40.5486 174.6731 137 N 4.5945 8.3751 120.6294 53.4596 38.5020 175.8703 138 R 4.6944 7.6160 118.1852 53.5505 30.1367 174.3953 139 P 4.3116 0.0000 0.0000 64.7613 31.8330 178.5882 140 D 4.3544 7.8975 117.4260 55.1573 39.9234 176.0890 141 Y 4.8055 8.1444 117.4930 57.6812 39.5233 175.1848 142 L 3.9290 7.4450 121.0661 54.9105 42.0523 177.0092 143 L 4.2511 8.6040 128.8031 52.8133 41.9408 176.3038 144 F 5.0447 7.8002 124.9762 56.1948 38.6595 177.4415 145 A 4.2275 8.4187 125.8290 56.2623 18.3705 178.8633 146 E 3.9823 7.8584 116.0579 56.1332 29.1722 176.8864 147 S 4.5773 7.1529 123.6910 58.7778 66.6660 177.0496 148 G 4.1907 8.9277 111.9739 46.2706 0.0000 174.4123 149 Q 4.4550 8.3128 119.6994 56.3432 30.1329 176.2961 150 V 4.8042 7.9030 117.5489 61.4331 34.5916 173.6957 151 Y 5.6808 8.6416 125.2885 56.1312 42.4054 173.7093 152 F 5.0597 8.9514 121.7665 57.0338 43.1537 173.2789 153 G 3.9461 8.2214 112.3562 45.4351 0.0000 171.3099 154 I 5.7891 8.4177 112.2919 59.8601 41.3461 173.7524 155 I 5.0507 8.3875 122.9931 59.3056 41.7074 173.5793 156 A 3.7961 8.5361 131.6128 51.2633 18.8602 177.3918 157 L 4.1893 8.1413 122.1596 55.0983 41.4704 177.0652 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 6 R 8.25 4.21 0.00 1.93 2.02 0.00 3.16 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 7 T 8.49 3.86 4.24 0.00 0.00 0.00 0.00 0.00 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 8 P 0.00 4.38 0.00 2.03 2.14 0.00 3.84 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 9 S 8.55 5.88 0.00 4.08 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 10 D 8.09 4.83 0.00 2.71 3.11 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 0.00 0.00 0.00 0.00 11 K 7.80 4.19 0.00 1.78 1.69 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.35 7.81 12 P 0.00 4.72 0.00 2.27 2.40 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 13 V 8.34 5.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.02 0.00 0.00 14 A 8.63 4.63 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 15 H 9.24 4.85 0.00 3.26 3.19 0.00 5.76 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.67 4.89 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.59 0.00 0.00 17 V 8.74 5.38 2.25 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 1.02 0.00 0.00 1.27 0.00 0.00 18 A 8.65 4.49 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 19 N 8.91 4.40 0.00 2.74 2.57 0.00 0.00 7.05 8.01 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 20 P 0.00 2.97 0.00 1.82 1.87 0.00 3.52 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 21 Q 7.71 4.06 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.39 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 22 A 7.13 4.74 1.18 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 23 E 7.92 4.32 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 24 G 9.15 3.97 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 0.00 0.00 0.00 25 Q 7.73 4.49 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.51 2.29 0.00 26 L 8.11 4.25 0.00 1.34 1.36 0.05 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.85 4.58 0.00 2.06 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 28 W 8.99 5.38 0.00 3.30 3.12 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 29 L 9.56 5.18 0.00 1.60 1.55 1.08 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.93 5.01 0.00 2.77 2.89 0.00 0.00 6.07 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.80 4.38 0.00 1.95 2.06 0.00 2.98 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 1.59 1.66 0.00 32 R 7.31 4.66 0.00 1.81 1.88 0.00 3.42 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 33 A 7.44 3.18 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 34 N 8.26 4.87 0.00 2.70 2.76 0.00 0.00 6.62 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 35 A 7.47 5.10 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.76 4.65 0.00 1.64 1.51 0.94 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.09 4.48 0.00 1.56 1.61 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.66 4.70 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 39 N 9.97 4.39 0.00 2.96 2.90 0.00 0.00 7.10 7.65 0.00 0.00 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 G 8.61 4.23 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 0.00 41 V 7.61 4.05 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 0.85 0.00 0.00 0.85 0.00 0.00 42 E 8.73 4.73 0.00 1.91 1.84 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 2.20 2.38 0.00 43 L 8.49 4.96 0.00 1.60 1.60 1.05 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.88 4.55 0.00 1.81 1.72 0.00 3.29 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 45 D 9.74 4.49 0.00 2.84 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.65 4.55 0.00 2.90 3.02 0.00 0.00 6.99 7.08 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 47 Q 8.12 4.95 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.94 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 48 L 8.60 4.77 0.00 1.40 1.33 -0.51 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.55 4.75 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 0.95 0.00 0.00 0.91 0.00 0.00 50 V 8.32 3.96 1.86 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 0.81 0.00 0.00 0.27 0.00 0.00 51 P 0.00 4.61 0.00 2.25 2.26 0.00 3.95 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 52 S 7.38 4.64 0.00 4.10 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 53 E 8.79 4.28 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 54 G 7.63 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.71 5.05 0.00 1.64 1.58 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 9.46 5.20 0.00 2.92 2.88 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 57 L 9.05 5.02 0.00 1.86 1.68 1.12 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 58 I 9.01 5.25 2.03 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 1.34 0.88 0.96 0.00 0.00 59 Y 8.21 5.29 0.00 3.09 3.13 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 60 S 8.42 4.93 0.00 3.76 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.48 5.42 0.00 1.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.49 0.00 0.00 0.00 0.00 0.00 2.21 2.44 0.00 62 V 8.24 4.65 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 0.31 0.00 0.00 0.46 0.00 0.00 63 L 8.01 4.85 0.00 1.88 1.62 1.07 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.20 5.25 0.00 3.44 3.08 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 65 K 9.00 4.15 0.00 1.15 1.22 0.00 1.33 0.00 0.00 1.42 0.00 0.00 2.69 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.66 0.21 7.81 66 G 6.34 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.66 4.37 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.99 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 68 G 8.32 3.97 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 0.00 0.00 0.00 69 C 8.47 5.22 0.00 2.97 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.48 0.00 2.11 2.04 0.00 3.68 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 2.23 2.32 0.00 71 S 8.26 4.58 0.00 3.83 3.79 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 72 T 8.94 3.13 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 1.22 0.00 0.00 73 H 9.00 4.83 0.00 2.96 3.09 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.88 4.34 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 0.89 0.00 0.00 0.95 0.00 0.00 75 L 8.31 4.66 0.00 1.47 1.46 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.53 4.68 0.00 1.26 0.43 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.57 5.18 4.26 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 1.19 0.00 0.00 78 H 9.01 5.54 0.00 3.36 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.84 4.94 4.22 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 80 I 8.78 4.80 1.71 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 0.86 0.40 0.85 0.00 0.00 81 S 8.94 5.17 0.00 3.67 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 82 R 8.74 4.94 0.00 1.70 1.64 0.00 3.15 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 83 I 8.81 5.04 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.91 0.95 0.00 0.00 84 A 8.42 4.66 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.63 3.61 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.04 0.00 0.00 86 S 7.83 4.66 0.00 3.91 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.51 4.91 0.00 2.83 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 88 Q 7.81 4.27 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.41 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 89 T 7.00 4.50 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 90 K 8.69 4.39 0.00 1.60 1.74 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.44 7.81 91 V 8.59 4.51 2.13 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 0.93 0.00 0.00 1.04 0.00 0.00 92 N 8.95 4.56 0.00 2.61 2.74 0.00 0.00 7.03 7.85 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 93 L 8.77 4.48 0.00 1.14 0.64 0.19 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.40 4.94 0.00 1.49 1.51 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.52 5.13 0.00 3.83 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 96 A 9.01 4.88 1.26 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 0.00 0.00 97 I 8.25 5.10 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 1.23 0.72 0.88 0.00 0.00 98 K 9.13 4.57 0.00 1.76 1.50 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.17 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.28 1.37 7.81 99 S 8.52 4.44 0.00 3.80 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 3.59 0.00 0.49 0.73 0.00 3.57 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.10 0.00 101 C 6.92 4.35 0.00 2.71 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 0.00 102 Q 8.50 4.15 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 5.76 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 103 R 8.17 4.39 0.00 1.99 2.05 0.00 3.19 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 104 E 7.78 3.90 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 105 T 8.07 3.10 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 1.29 0.00 0.00 106 P 0.00 4.13 0.00 2.08 2.14 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 107 E 9.02 4.01 0.00 1.93 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 0.00 2.31 2.30 0.00 108 G 7.14 4.46 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 0.00 109 A 7.22 4.59 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 0.00 110 E 8.48 4.15 0.00 2.04 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 111 A 8.71 3.63 1.43 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 0.00 0.00 0.00 112 K 7.88 4.48 0.00 1.84 1.84 0.00 1.58 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.58 1.54 7.81 113 P 0.00 5.07 0.00 1.89 2.14 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 114 W 8.39 5.29 0.00 3.36 3.16 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 0.00 0.00 0.00 115 Y 9.10 5.31 0.00 2.85 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 0.00 116 E 9.78 4.77 0.00 2.38 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 0.00 2.18 2.40 0.00 117 P 0.00 5.41 0.00 2.23 2.14 0.00 3.92 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 118 I 8.60 4.80 2.05 0.00 0.00 1.10 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 1.43 1.07 0.00 0.00 119 Y 8.92 5.16 0.00 3.03 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.57 4.81 0.00 1.55 1.32 0.94 0.41 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 0.00 121 G 8.46 4.37 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 0.00 122 G 8.76 4.26 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 0.00 0.00 0.00 123 V 8.11 5.04 1.97 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 0.88 0.00 0.00 0.95 0.00 0.00 124 F 9.30 4.94 0.00 3.07 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 0.00 125 Q 8.90 4.88 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 126 L 9.40 5.08 0.00 1.58 1.35 0.97 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 127 E 9.86 5.65 0.00 2.16 1.86 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 2.29 2.11 0.00 128 K 8.75 4.11 0.00 1.74 1.75 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.52 7.81 129 G 8.99 4.07 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 0.00 130 D 8.10 4.65 0.00 2.52 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.63 5.02 0.00 1.73 1.80 0.00 3.07 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 132 L 9.03 5.20 0.00 1.60 1.67 0.76 0.53 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 0.00 133 S 9.02 5.00 0.00 3.68 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 0.00 134 A 8.41 4.59 -0.11 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 0.00 0.00 0.00 0.00 0.00 0.00 135 E 9.00 4.97 0.00 1.91 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 136 I 8.37 5.66 2.18 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 1.02 1.86 0.92 0.00 0.00 137 N 8.38 4.59 0.00 2.79 3.00 0.00 0.00 6.73 7.54 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 0.00 138 R 7.62 4.69 0.00 2.00 2.11 0.00 3.32 0.00 0.00 3.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 139 P 0.00 4.31 0.00 2.38 2.27 0.00 3.80 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 2.04 1.94 0.00 140 D 7.90 4.35 0.00 2.47 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.14 4.81 0.00 3.36 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 0.00 142 L 7.45 3.93 0.00 1.40 0.85 0.73 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.60 4.25 0.00 1.43 1.68 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 144 F 7.80 5.04 0.00 3.01 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 0.00 145 A 8.42 4.23 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 7.86 3.98 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 2.37 2.44 0.00 147 S 7.15 4.58 0.00 3.88 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 0.00 148 G 8.93 4.19 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 0.00 149 Q 8.31 4.45 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.68 0.00 150 V 7.90 4.80 2.25 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 1.10 0.00 0.00 0.93 0.00 0.00 151 Y 8.64 5.68 0.00 3.05 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 8.95 5.06 0.00 1.57 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 G 8.22 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 0.00 154 I 8.42 5.79 1.95 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.91 0.60 0.00 0.00 155 I 8.39 5.05 1.98 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 1.30 1.59 1.03 0.00 0.00 156 A 8.54 3.80 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.14 4.19 0.00 1.50 1.55 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00