NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4244 8.2893 120.3487 54.9099 33.4267 175.0364 2 R 3.8427 8.4568 121.7854 55.2512 30.1670 174.4209 3 L 4.4702 9.1219 124.0947 54.2542 45.2383 178.5344 4 N 3.8268 8.9276 118.9300 55.8402 37.5861 174.6972 5 T 3.3561 8.7274 115.2323 63.6607 65.5052 174.1208 6 L 4.1006 7.0219 118.9926 54.3872 42.2491 177.5413 7 S 5.4630 7.3768 124.8063 58.6739 62.4693 173.9082 8 P 4.7003 0.0000 0.0000 62.0964 36.2767 174.9647 9 A 5.2342 8.6466 126.5992 52.3382 18.3514 177.4223 10 E 4.7137 7.3893 113.2022 55.2217 33.6236 175.2984 11 G 4.0455 8.2898 110.1794 43.9724 0.0000 174.1048 12 S 4.2266 8.4584 117.5833 58.1531 63.2460 173.8906 13 K 3.8257 8.5119 120.3146 58.1146 32.3872 180.7565 14 K 4.4801 8.3509 118.1601 60.7866 35.0712 177.9124 15 A 3.8907 7.8461 124.4956 52.3396 15.2702 177.7437 16 G 4.0046 8.3134 109.5508 50.1452 0.0000 174.8580 17 K 4.5515 7.9978 121.5374 54.9411 35.9378 177.5114 18 R 4.4265 8.6695 122.2339 54.3401 30.0342 173.0217 19 L 4.3652 7.8391 124.2972 50.9277 44.7346 179.5036 20 G 4.1677 8.3716 113.0895 47.2524 0.0000 175.9592 21 R 3.9946 9.1199 118.7410 58.4760 30.6296 178.0465 22 G 4.0666 8.2169 105.9880 48.2922 0.0000 173.7145 23 I 3.9491 7.8632 115.8767 59.9298 36.8795 180.1855 24 G 3.9800 9.5628 120.7166 46.1763 0.0000 174.9096 25 S 3.3604 9.3741 115.0599 58.9751 62.1237 172.3261 26 G 4.0348 9.0404 102.8128 43.5972 0.0000 169.5625 27 L 3.4532 7.5596 127.4320 54.1030 42.9485 173.6469 28 G 3.9133 8.4661 114.4948 44.1153 0.0000 173.2741 29 K 4.1374 8.3643 124.4530 56.0153 32.9799 176.2204 30 T 4.0909 8.1750 113.6489 61.2285 69.9918 173.4137 31 G 3.2447 7.8567 113.1633 44.7077 0.0000 172.1962 32 G 4.1679 7.7090 108.7137 45.8275 0.0000 172.2555 33 R 3.7974 9.5630 115.9720 57.1591 31.1473 177.9630 34 G 2.9930 7.0468 104.4969 45.2342 0.0000 173.9982 35 H 4.7612 8.3358 123.1491 53.4360 30.2454 174.8060 36 K 4.4516 8.5376 130.0124 58.4845 32.8690 175.5028 37 G 4.2412 9.0315 104.9814 45.1149 0.0000 173.5672 38 Q 2.7332 8.5035 114.9820 57.6457 29.2844 173.3473 39 K 3.8438 8.4968 117.0019 55.7053 30.8150 174.3423 40 S 4.2723 8.3648 113.3210 59.4096 62.1497 174.0299 41 R 4.4994 8.3968 118.3882 56.1384 29.8652 176.8718 42 S 4.5238 7.4854 110.7522 56.4815 62.9286 173.9755 43 G 3.9496 8.1703 107.4928 46.2041 0.0000 173.2448 44 G 3.9547 7.3342 105.1936 45.4285 0.0000 174.8983 45 G 4.8889 8.8189 124.0508 47.2546 0.0000 173.4291 46 V 3.4902 6.8246 120.7166 64.8414 31.5069 175.9093 47 R 4.2887 7.8107 119.3956 55.0295 29.7390 174.3571 48 R 4.6174 8.5591 126.5955 54.1913 32.5546 171.3724 49 G 3.8213 8.4104 106.7856 45.8858 0.0000 173.8860 50 F 3.6960 8.6362 119.8992 57.6398 39.9490 176.5509 51 E 3.8071 7.7560 124.8604 60.4426 30.7439 177.3288 52 G 3.0763 7.4351 108.5387 43.9591 0.0000 175.2085 53 G 3.8347 8.5161 104.7653 45.3221 0.0000 174.3719 54 Q 2.8773 8.5760 127.9618 56.8626 28.8611 173.5744 55 M 4.6613 8.4279 115.4792 57.8101 33.9442 175.4135 56 P 4.4987 0.0000 0.0000 63.2641 32.0749 176.2916 57 L 4.0402 7.5108 118.9005 55.8995 38.7701 175.9838 58 Y 3.8351 7.3686 122.1343 59.3412 35.4159 170.8302 59 R 4.7217 7.9190 114.5100 55.8491 32.5627 175.2703 60 R 4.7183 7.7407 114.9648 57.3462 37.7400 176.0164 61 L 3.9986 7.3539 116.3597 57.3671 42.1351 175.2665 62 P 4.4937 0.0000 0.0000 62.3884 31.9056 174.4943 63 K 4.5590 8.0191 119.7839 54.4017 34.9303 176.1990 64 F 4.8303 8.3858 120.2266 58.0792 41.7342 173.8226 65 G 4.2158 8.8348 119.1326 46.1049 0.0000 176.1376 66 F 4.9310 9.3231 120.2665 56.9173 42.3594 172.7040 67 T 3.8015 8.7930 118.3303 61.5600 68.7638 173.5201 68 S 4.0598 8.1142 118.4655 58.5736 63.4264 174.2198 69 R 4.2497 7.8767 117.8400 55.0227 30.6311 176.7921 70 K 3.9459 8.7608 120.2150 59.5577 32.2619 177.7524 71 A 4.1507 7.8780 119.6959 52.2009 20.0428 176.4946 72 A 4.5615 8.2955 125.6563 52.0052 17.8117 180.9270 73 I 4.6330 8.3566 117.6580 60.9928 40.4922 175.0304 74 T 3.8282 8.4914 113.4780 61.4182 68.8290 173.8092 75 A 3.8662 8.8833 128.7933 52.5479 18.5675 176.7467 76 E 4.2510 8.7255 123.8079 56.2895 31.0274 175.6055 77 I 4.3329 8.3039 110.6932 65.5356 38.2460 174.0487 78 R 3.8634 6.7187 118.0058 54.8089 31.0094 178.0561 79 L 4.1012 8.6187 122.3408 57.6593 42.2124 179.5508 80 S 4.1062 8.2414 112.5546 61.4922 62.6584 174.7860 81 D 4.5056 7.4731 116.9424 57.1275 40.9627 178.6517 82 L 3.8192 7.6094 116.0278 58.0095 41.6386 177.4346 83 A 4.6022 8.1663 126.2943 52.0721 19.3027 178.6063 84 K 4.5036 7.7264 121.2312 57.0218 34.9584 177.3395 85 V 3.8572 7.8674 117.8580 63.7733 32.0816 176.3311 86 E 4.5368 7.6359 117.0888 54.5409 32.9241 174.4053 87 G 3.7154 8.7977 115.8833 45.3626 0.0000 173.1368 88 G 3.6929 7.9150 115.3906 45.4866 0.0000 173.3655 89 V 4.1785 7.8188 126.1206 60.0702 31.6413 177.4807 90 V 3.9661 7.9414 129.7153 61.2079 30.2247 177.7660 91 D 4.7267 7.9882 126.3222 56.2894 38.3569 179.4556 92 L 3.3542 6.1402 119.4994 57.3134 42.5564 177.6394 93 N 4.7658 8.6413 115.8347 54.4084 39.8605 175.7441 94 T 3.8200 7.5221 107.1744 63.6024 68.9400 174.4171 95 L 4.5387 7.4470 122.8025 53.4152 43.2488 177.3584 96 K 4.1579 7.9255 118.3198 56.2863 32.7052 176.3902 97 A 4.5438 8.5444 123.4757 51.2574 22.2203 177.9773 98 A 3.6038 7.4908 117.3720 53.9428 18.1327 177.1023 99 N 4.7602 8.9252 112.0439 57.1166 39.5307 176.3723 100 I 4.6667 7.1747 118.9503 60.0031 38.9580 175.2353 101 I 4.6778 8.3451 130.3932 60.6054 38.3010 176.0192 102 G 4.1669 7.9139 105.8927 44.9159 0.0000 174.1005 103 I 3.9818 8.2615 114.3381 61.6856 37.1717 177.1169 104 Q 4.5683 5.7400 119.1483 55.8064 30.3664 177.7412 105 I 4.4613 8.1515 120.2709 61.5936 37.1038 174.3219 106 E 4.4343 7.5997 119.8116 55.6752 31.9998 178.1342 107 F 4.2562 8.6121 125.6628 58.9040 39.2337 172.6295 108 A 4.1951 8.6722 124.9362 48.5695 26.0694 180.7984 109 K 4.2215 9.4669 120.8559 55.1283 30.8097 175.4409 110 V 5.1898 8.5831 106.4419 61.5933 37.7016 175.2396 111 I 2.9358 7.4736 110.1608 61.7897 38.2415 171.9169 112 L 4.6193 8.3101 118.0512 53.3001 42.9308 174.2267 113 A 4.4240 8.4799 124.9209 50.2269 21.8124 177.5558 114 G 3.9927 8.3388 105.8659 45.4869 0.0000 174.2173 115 E 3.6048 8.4881 121.2785 55.9943 28.2799 172.9859 116 V 3.4449 8.7256 116.8977 60.6918 31.4099 171.0139 117 T 4.4269 8.3837 120.2224 62.1513 69.6887 172.9477 118 T 4.0457 7.9932 122.5212 59.7550 68.1512 172.4484 119 P 4.1475 0.0000 0.0000 63.3293 30.1192 176.0233 120 V 4.0374 7.7383 117.5141 61.7690 30.2070 177.4541 121 T 4.1806 7.4748 111.7835 62.1540 67.0070 174.4638 122 V 4.6774 8.3774 127.9752 61.7267 35.0825 173.9615 123 R 4.6128 8.7307 121.1035 55.5184 32.4983 174.6638 124 G 3.6192 8.5528 110.1277 45.6501 0.0000 174.2992 125 L 4.0035 8.0106 120.8704 56.2577 42.4725 179.1303 126 R 2.9432 9.1519 120.7909 57.3616 32.5275 173.9548 127 V 3.1823 7.7713 115.4682 61.3760 31.5146 174.1313 128 T 4.2468 8.1309 114.0322 61.3653 70.7352 174.8813 129 K 4.1275 8.5909 120.3292 59.6914 32.0988 179.5139 130 G 3.7400 7.9567 106.4158 47.1793 0.0000 175.0198 131 A 4.1345 8.0865 123.4343 55.2789 18.5263 179.4969 132 R 3.8996 7.7450 116.7715 59.2613 30.0679 178.2860 133 A 4.7846 8.2792 121.2503 54.6035 18.0513 178.9583 134 A 4.0043 8.2552 119.7823 55.4870 18.4856 179.5096 135 I 4.3189 7.3062 116.5797 61.8729 37.6817 177.6252 136 E 4.2041 8.2087 119.5633 57.8153 29.5715 177.5658 137 A 4.8603 7.0836 121.7452 51.7199 20.3812 176.5973 138 A 4.2990 6.5310 131.6856 53.1674 25.1256 181.0685 139 G 3.9215 7.5941 112.2415 48.6701 0.0000 171.2828 140 G 3.8333 8.5550 105.2280 46.6842 0.0000 176.1574 141 K 3.6619 9.1889 118.9253 54.8646 30.7146 173.5370 142 I 3.1083 8.8713 119.7068 60.7015 39.5864 173.5030 143 E 4.5863 8.5721 120.9775 54.4096 31.3087 175.6734 144 E 4.0941 8.7067 121.6294 56.5702 29.6386 176.4410 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 1.97 2.03 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 R 8.46 3.84 0.00 2.04 1.92 0.00 3.07 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 3 L 9.12 4.47 0.00 1.62 1.59 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 4 N 8.93 3.83 0.00 2.98 2.80 0.00 0.00 6.69 7.05 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 5 T 8.73 3.36 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 6 L 7.02 4.10 0.00 1.76 1.60 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 7 S 7.38 5.46 0.00 3.96 4.06 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 8 P 0.00 4.70 0.00 2.11 1.62 0.00 3.92 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.89 0.00 9 A 8.65 5.23 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 10 E 7.39 4.71 0.00 1.93 1.81 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 2.22 2.29 0.00 11 G 8.29 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 0.00 0.00 0.00 12 S 8.46 4.23 0.00 3.87 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 13 K 8.51 3.83 0.00 1.78 1.69 0.00 1.71 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.38 7.81 14 K 8.35 4.48 0.00 2.00 2.00 0.00 1.41 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.56 7.81 15 A 7.85 3.89 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.31 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.00 4.55 0.00 1.60 1.13 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.45 7.81 18 R 8.67 4.43 0.00 1.74 1.80 0.00 3.29 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 19 L 7.84 4.37 0.00 1.68 1.45 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.37 4.17 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 0.00 21 R 9.12 3.99 0.00 1.64 1.99 0.00 3.36 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.71 0.00 22 G 8.22 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 23 I 7.86 3.95 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 1.35 0.96 0.91 0.00 0.00 24 G 9.56 3.98 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 0.00 0.00 0.00 25 S 9.37 3.36 0.00 3.98 3.07 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 26 G 9.04 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 27 L 7.56 3.45 0.00 1.75 1.66 0.92 0.99 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 28 G 8.47 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.36 4.14 0.00 1.71 1.72 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.49 7.81 30 T 8.17 4.09 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 1.21 0.00 0.00 31 G 7.86 3.24 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 0.00 0.00 0.00 0.00 32 G 7.71 4.17 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 0.00 33 R 9.56 3.80 0.00 1.79 1.89 0.00 3.22 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 34 G 7.05 2.99 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 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.34 4.76 0.00 3.28 3.34 0.00 5.47 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.54 4.45 0.00 1.80 1.52 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.43 7.81 37 G 9.03 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 0.00 0.00 0.00 0.00 38 Q 8.50 2.73 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 5.88 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 39 K 8.50 3.84 0.00 1.94 1.95 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.36 7.81 40 S 8.36 4.27 0.00 3.83 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.40 4.50 0.00 1.83 1.93 0.00 3.37 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 42 S 7.49 4.52 0.00 3.79 3.80 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 43 G 8.17 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 44 G 7.33 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 45 G 8.82 4.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.82 3.49 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 0.76 0.00 0.00 0.93 0.00 0.00 47 R 7.81 4.29 0.00 1.81 1.85 0.00 3.25 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 48 R 8.56 4.62 0.00 1.75 1.80 0.00 3.34 0.00 0.00 3.46 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 49 G 8.41 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 50 F 8.64 3.70 0.00 3.07 3.10 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 0.00 0.00 0.00 51 E 7.76 3.81 0.00 2.06 1.91 0.00 0.00 0.00 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 2.32 0.00 52 G 7.44 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 0.00 0.00 0.00 53 G 8.52 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 0.00 0.00 0.00 54 Q 8.58 2.88 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 55 M 8.43 4.66 0.00 1.83 1.85 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 56 P 0.00 4.50 0.00 2.13 1.99 0.00 3.60 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 57 L 7.51 4.04 0.00 1.59 1.60 0.72 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 7.37 3.84 0.00 3.21 3.05 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 59 R 7.92 4.72 0.00 2.04 1.92 0.00 3.44 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.62 0.00 60 R 7.74 4.72 0.00 1.71 1.88 0.00 3.27 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 61 L 7.35 4.00 0.00 1.53 1.63 0.87 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.49 0.00 2.09 2.06 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.42 0.00 63 K 8.02 4.56 0.00 1.68 1.70 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.56 7.81 64 F 8.39 4.83 0.00 3.16 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 65 G 8.83 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 0.00 0.00 0.00 0.00 66 F 9.32 4.93 0.00 2.70 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.79 3.80 4.06 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 1.17 0.00 0.00 68 S 8.11 4.06 0.00 3.75 3.75 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 69 R 7.88 4.25 0.00 2.02 1.86 0.00 3.01 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.97 0.00 70 K 8.76 3.95 0.00 1.77 1.92 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.41 7.81 71 A 7.88 4.15 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 72 A 8.30 4.56 0.97 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 73 I 8.36 4.63 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 1.46 0.58 0.90 0.00 0.00 74 T 8.49 3.83 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 1.11 0.00 0.00 75 A 8.88 3.87 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 76 E 8.73 4.25 0.00 1.93 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 2.29 2.36 0.00 77 I 8.30 4.33 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.56 0.92 0.00 0.00 78 R 6.72 3.86 0.00 1.93 1.86 0.00 3.13 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 79 L 8.62 4.10 0.00 1.71 1.72 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.24 4.11 0.00 3.83 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 7.47 4.51 0.00 3.09 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 82 L 7.61 3.82 0.00 1.81 1.52 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.17 4.60 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 84 K 7.73 4.50 0.00 1.69 1.72 0.00 2.00 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.33 7.81 85 V 7.87 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 0.85 0.00 0.00 0.93 0.00 0.00 86 E 7.64 4.54 0.00 2.05 1.76 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 2.16 2.24 0.00 87 G 8.80 3.72 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 0.00 0.00 0.00 88 G 7.92 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 89 V 7.82 4.18 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 0.79 0.00 0.00 0.92 0.00 0.00 90 V 7.94 3.97 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 0.93 0.00 0.00 91 D 7.99 4.73 0.00 2.84 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.14 3.35 0.00 1.67 1.76 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 93 N 8.64 4.77 0.00 2.60 2.81 0.00 0.00 6.96 5.46 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 94 T 7.52 3.82 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 1.22 0.00 0.00 95 L 7.45 4.54 0.00 1.63 1.72 0.91 0.87 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 96 K 7.93 4.16 0.00 1.85 1.74 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 97 A 8.54 4.54 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 98 A 7.49 3.60 1.08 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 0.00 0.00 99 N 8.93 4.76 0.00 2.70 2.86 0.00 0.00 6.53 7.45 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 0.00 100 I 7.17 4.67 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 1.41 0.44 0.91 0.00 0.00 101 I 8.35 4.68 1.87 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 1.23 0.77 0.96 0.00 0.00 102 G 7.91 4.17 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 0.00 103 I 8.26 3.98 1.88 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 1.42 0.94 0.91 0.00 0.00 104 Q 5.74 4.57 0.00 2.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.41 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 105 I 8.15 4.46 1.87 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 1.41 0.85 0.88 0.00 0.00 106 E 7.60 4.43 0.00 2.00 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 2.34 2.38 0.00 107 F 8.61 4.26 0.00 2.95 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 0.00 108 A 8.67 4.20 1.14 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 0.00 0.00 109 K 9.47 4.22 0.00 2.00 2.04 0.00 1.95 0.00 0.00 1.91 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.73 7.81 110 V 8.58 5.19 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 0.72 0.00 0.00 0.95 0.00 0.00 111 I 7.47 2.94 1.88 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 1.43 0.44 0.93 0.00 0.00 112 L 8.31 4.62 0.00 1.63 1.61 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.48 4.42 1.22 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 0.00 0.00 0.00 114 G 8.34 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.49 3.60 0.00 2.10 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 2.17 2.38 0.00 116 V 8.73 3.44 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 0.81 0.00 0.00 0.93 0.00 0.00 117 T 8.38 4.43 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 1.21 0.00 0.00 118 T 7.99 4.05 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 1.24 0.00 0.00 119 P 0.00 4.15 0.00 2.15 2.06 0.00 3.72 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 120 V 7.74 4.04 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 0.78 0.00 0.00 1.01 0.00 0.00 121 T 7.47 4.18 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 1.21 0.00 0.00 122 V 8.38 4.68 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 1.00 0.00 0.00 0.98 0.00 0.00 123 R 8.73 4.61 0.00 2.01 2.15 0.00 2.98 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 124 G 8.55 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 4.00 0.00 1.80 1.54 0.89 0.55 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 0.00 126 R 9.15 2.94 0.00 2.24 2.56 0.00 3.62 0.00 0.00 3.46 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 127 V 7.77 3.18 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 0.82 0.00 0.00 0.95 0.00 0.00 128 T 8.13 4.25 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 1.25 0.00 0.00 129 K 8.59 4.13 0.00 1.75 1.87 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.52 7.81 130 G 7.96 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 0.00 131 A 8.09 4.13 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.74 3.90 0.00 1.91 1.97 0.00 3.15 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.04 0.00 133 A 8.28 4.78 1.40 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 0.00 134 A 8.26 4.00 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 0.00 135 I 7.31 4.32 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 1.67 1.17 0.94 0.00 0.00 136 E 8.21 4.20 0.00 2.27 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 2.33 2.30 0.00 137 A 7.08 4.86 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 0.00 138 A 6.53 4.30 0.93 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 0.00 0.00 139 G 7.59 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 0.00 0.00 0.00 140 G 8.56 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 0.00 0.00 0.00 141 K 9.19 3.66 0.00 1.90 1.64 0.00 1.91 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.34 7.81 142 I 8.87 3.11 1.90 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 1.51 0.66 0.95 0.00 0.00 143 E 8.57 4.59 0.00 2.04 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 2.12 2.20 0.00 144 E 8.71 4.09 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00