NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 H 4.5551 8.4401 120.3903 56.0094 31.5054 174.1953 9 A 3.8147 7.5958 123.1817 52.4556 18.8893 175.9086 10 S 4.7038 7.8437 111.9555 55.7067 66.5247 172.5520 11 A 4.1209 8.1955 123.9971 51.4691 18.7891 177.2247 12 L 3.9291 8.3909 121.1296 56.2396 42.5667 177.9846 13 T 4.4031 8.7800 116.3458 60.5551 71.6216 175.9550 14 R 3.8873 7.8287 118.5826 59.6329 29.9879 178.6367 15 S 4.1094 8.0710 114.3610 61.7371 62.8313 176.3928 16 E 3.9284 8.1253 120.9626 59.3792 29.1214 179.4151 17 R 3.8800 8.0202 118.5154 59.7518 30.2120 178.4284 18 T 4.0401 8.4149 115.7664 66.7643 68.2674 175.6375 19 E 3.8873 8.3684 119.7970 59.8392 29.6797 178.7944 20 L 4.1401 8.5341 118.1243 57.6320 41.7888 179.2955 21 R 4.1185 8.9080 117.8781 56.1104 30.3885 175.9497 22 N 4.2452 8.8312 116.4705 53.9859 37.7640 173.3311 23 Q 4.5580 7.6960 110.1841 55.2137 30.7676 173.1755 24 R 4.4712 8.6388 119.1934 55.4565 31.9200 175.8462 25 G 4.3295 8.1754 107.4783 44.8850 0.0000 172.6983 26 L 4.5698 8.0927 121.9507 55.4594 44.6633 173.1885 27 T 5.0857 8.7365 114.9227 61.8477 72.4020 173.4553 28 I 4.6537 8.8852 126.9792 59.2381 39.9805 174.3502 29 W 4.7365 8.9283 135.0000 55.4842 32.3375 174.3255 30 L 4.9340 8.9044 129.3426 54.3027 42.5108 176.0848 31 T 4.8250 10.1613 119.1982 59.5788 70.7840 173.3060 32 G 4.1518 8.4908 113.9915 45.4836 0.0000 171.8387 33 L 3.8472 7.1542 119.5566 54.1898 42.1248 178.8406 34 S 3.9848 8.5342 115.0735 61.2375 62.9836 175.1080 35 A 4.4129 7.7669 121.5699 51.8335 18.8605 178.5544 36 S 3.9684 7.9766 112.3887 59.8176 63.2360 175.8097 37 G 3.9190 7.8910 109.4340 45.5210 0.0000 175.1687 38 K 3.8787 7.7910 121.4274 60.0354 32.2543 179.0809 39 S 4.0886 7.8200 114.9490 60.9515 62.4487 176.0930 40 T 3.8656 7.8065 117.9459 66.5745 68.2091 176.5167 41 L 3.9653 7.9975 120.7993 57.5536 41.5421 179.2395 42 A 3.9385 8.0066 120.8403 55.1018 18.3014 179.8561 43 V 3.4318 7.6405 116.5418 66.2226 31.5843 177.9425 44 E 3.9513 8.0832 118.9849 58.9608 29.4406 178.4014 45 L 3.9128 8.3736 120.9142 58.1023 42.1425 178.6047 46 E 3.8663 8.3493 119.3721 59.4567 29.6099 177.9349 47 H 4.0645 8.2278 118.2313 59.7952 29.9033 177.2343 48 Q 4.3145 8.4039 119.7094 58.7863 28.5684 178.7408 49 L 4.0241 8.0073 120.3187 57.6326 41.4893 179.7167 50 V 3.9939 7.9369 119.5817 65.4844 31.3376 177.8999 51 R 4.0398 8.2899 117.6167 59.5425 30.1913 177.3502 52 D 4.4893 8.0233 117.8484 56.4260 41.2265 177.4489 53 R 4.3669 8.0572 117.8774 55.7127 30.7661 176.8826 *54 R 3.8657 7.5905 113.4834 57.1040 27.4461 181.2715 55 V 4.4285 7.4277 111.8472 61.0521 34.8621 174.2559 56 H 4.8081 10.1726 122.9382 55.3451 30.7568 173.8528 57 A 5.3123 8.3578 126.1220 50.8109 22.7443 174.4443 58 Y 4.8091 9.0093 120.8541 56.3039 42.7315 173.6765 59 R 4.3459 8.5230 128.4467 55.3586 30.9542 175.9782 60 L 3.9965 8.3098 128.1997 53.5938 41.7272 176.1436 61 D 4.4224 8.3333 124.6193 53.2912 42.4385 176.8935 62 G 4.0856 9.0989 113.7187 48.6278 0.0000 175.5452 63 D 4.6930 8.2621 121.1642 56.9910 40.4886 178.3891 64 N 4.4973 8.9328 117.3761 56.3507 38.4188 177.6082 65 I 3.7586 8.0713 121.2153 64.5541 37.3049 178.6795 66 R 3.8315 8.4933 119.2983 59.1364 29.6893 178.6009 67 F 4.4978 8.2626 115.0771 56.8115 39.7116 176.1060 68 G 3.8151 8.1029 104.8005 45.3124 0.0000 174.9264 69 L 3.9131 9.3969 120.8182 57.9314 42.8210 176.8133 70 N 4.9055 8.3093 114.4970 52.7873 38.6447 177.0989 71 K 4.6783 8.0017 119.5260 58.9118 32.6948 177.6557 72 D 4.4974 7.9470 117.4416 54.3018 39.9605 176.0195 73 L 4.4902 7.7627 121.1092 53.7805 43.7228 175.9468 74 G 3.9463 8.9578 110.5467 45.9389 0.0000 174.2410 75 F 4.7639 8.7122 123.0431 56.0831 40.3492 175.2178 76 S 4.4674 7.8857 117.0848 58.0331 64.9190 174.5048 77 E 3.9495 8.6873 121.8787 59.2808 29.2641 178.5484 78 A 4.0270 7.9529 120.5518 55.2253 18.4407 179.2068 79 D 4.2566 8.1582 117.5330 57.2358 40.7164 178.9283 80 R 3.9288 8.2326 119.4608 59.5878 30.0751 178.3756 81 N 4.4089 8.3343 116.3002 56.3403 38.4614 177.0777 82 E 3.9344 8.4752 121.0277 59.1168 29.7124 178.4820 83 N 4.4768 8.3053 118.1105 55.9452 38.6058 177.4488 84 I 3.9284 7.6706 121.1980 64.1995 37.1884 178.5328 85 R 3.8856 8.1759 119.7548 59.5830 29.9109 178.8295 86 R 3.9526 8.1730 117.9674 59.3899 29.9693 179.1667 87 I 3.6462 7.7443 119.3471 64.2181 36.9994 178.3891 88 A 4.4046 8.5099 121.9611 55.4105 18.2506 179.6065 89 E 3.9799 8.3822 117.1582 59.3258 29.4393 179.8208 90 V 3.6789 8.1597 118.5487 65.8415 31.6365 177.8299 91 A 4.2005 8.5318 120.9934 55.3455 18.2999 179.5360 92 K 4.0299 8.4196 118.0396 59.5605 32.2946 179.0665 93 L 3.9963 8.0131 119.4347 57.7480 41.5620 179.4078 94 F 3.8174 8.6035 117.6130 60.3925 38.8619 177.5596 95 A 4.2889 8.7035 120.8550 55.3634 18.0041 179.1280 96 D 4.3629 8.5355 115.9847 57.1107 41.2537 177.6570 97 S 4.4061 7.5579 112.0629 57.4976 63.7757 173.4670 98 N 4.1783 8.1712 117.7667 55.3365 36.2187 173.4884 99 S 5.0350 8.0977 111.3051 56.6537 66.8347 173.1361 100 I 4.6731 8.3968 124.3966 59.7312 38.2751 175.0219 101 A 4.7072 8.9373 130.5183 51.5940 19.9142 176.1353 102 I 4.9877 8.5701 122.1817 59.9081 41.4120 174.5301 103 T 4.6654 8.3940 119.2185 60.4789 71.3144 173.5267 104 S 4.8990 8.0083 119.6392 56.3666 63.7951 173.5323 105 F 4.0338 7.3562 122.9530 58.8014 39.5738 174.5094 106 I 3.5712 7.1745 126.9454 62.1111 38.1092 176.1537 107 S 5.0217 8.1849 116.5634 57.1396 63.9309 173.3615 108 P 4.2995 0.0000 0.0000 65.9480 31.8297 177.0062 109 Y 4.9338 7.3587 116.0090 56.2762 39.7330 176.7821 110 R 3.8584 9.2607 122.9841 59.2814 30.0343 179.7326 111 K 4.1440 8.1035 118.0687 59.8377 32.5041 178.8326 112 D 4.3164 8.0204 120.1694 57.5560 40.8610 178.9733 113 R 3.2791 7.7273 117.9003 59.0045 30.1072 178.6509 114 D 4.1887 8.4686 119.0982 57.5498 40.7903 179.0168 115 T 3.7053 8.0267 116.2314 66.4903 68.5495 176.5703 116 A 3.7910 7.3185 122.1278 54.8301 18.2489 179.5185 117 R 2.5100 7.3250 117.3700 59.2099 30.0613 178.4522 118 Q 4.0035 8.1798 119.4608 59.2655 28.7261 178.3807 119 L 3.9936 7.4212 118.6845 57.9887 41.8362 178.8808 120 H 4.2878 8.1319 116.0688 58.8751 28.6060 177.7476 121 E 4.1012 8.4189 120.5324 57.8792 29.1299 177.6072 122 V 3.4250 7.2843 118.8815 62.6865 31.7876 175.6052 123 A 4.5011 8.7312 129.5493 51.9317 19.2393 175.8320 124 T 4.7390 7.8948 107.8050 59.2168 71.7851 173.2873 125 P 4.3388 0.0000 0.0000 64.1237 30.0915 177.4225 126 G 3.8167 8.0476 110.3813 46.1890 0.0000 174.5855 127 E 4.9923 7.4063 115.7372 57.3365 36.2671 182.8146 128 E 4.7161 8.9128 114.2059 57.5362 30.7020 171.2224 129 T 4.7805 7.4860 112.9676 61.0064 70.9497 173.9576 130 G 4.5748 8.1853 113.5063 44.0826 0.0000 172.5606 131 L 4.9406 8.2062 119.5902 51.9369 45.0627 175.2868 132 P 4.4388 0.0000 0.0000 63.1008 32.5439 174.8267 133 F 5.0322 8.9742 125.9679 56.4360 41.8060 174.4240 134 V 4.2176 8.6436 127.3192 61.0918 33.4989 173.6576 135 E 4.6636 9.3560 130.9101 55.2933 31.1202 175.0344 136 V 4.5195 8.8481 128.2660 61.3462 33.6297 174.0565 137 Y 5.0859 9.2481 131.6978 57.3153 39.5749 174.7045 138 V 4.2916 9.0752 129.4682 61.8017 31.4718 173.7785 139 D 4.3969 8.6772 128.2438 52.6302 42.5217 175.4660 140 V 4.8096 8.0124 117.7288 58.5021 35.8270 173.7099 141 P 4.1726 0.0000 0.0000 63.0354 31.3540 177.8974 142 V 4.0208 8.1709 120.5570 60.2605 30.0948 176.6332 143 E 4.6243 7.8299 121.6414 54.7605 31.7218 176.4809 *170 A 4.9632 8.2670 122.1157 52.5115 18.9628 173.6391 171 P 4.5757 0.0000 0.0000 60.9341 31.8606 176.4206 172 Y 4.0723 8.5869 124.4139 58.3622 39.7122 174.7007 173 E 4.6929 8.0998 126.0785 54.1154 31.3339 176.0076 174 A 3.8990 8.2179 126.7636 50.6506 19.3132 175.3774 175 P 4.2050 0.0000 0.0000 62.3171 32.2850 176.6141 176 A 4.0947 8.3036 122.4965 54.8645 19.3046 178.2190 177 N 5.0143 7.5551 112.8525 51.8206 39.2809 172.2405 178 P 4.4862 0.0000 0.0000 62.7739 32.6354 177.1040 179 E 4.0415 8.6321 119.5719 58.8409 30.2670 177.5938 180 V 4.2874 7.8642 118.3882 61.0915 35.3097 173.9388 181 H 5.3463 8.9639 126.8171 54.6093 32.0589 172.6072 182 V 4.1846 8.8791 127.3301 61.2992 33.4192 174.8891 183 K 4.3611 8.5464 128.4790 54.6266 31.3353 176.5361 184 N 4.6935 8.5151 129.4885 52.6680 36.5643 173.8618 185 Y 4.5458 7.3277 119.3195 56.6867 42.0083 174.7965 186 E 3.4512 8.1049 128.2279 57.5394 27.1531 174.9816 187 L 4.6161 7.3570 117.8208 52.1669 44.9477 173.8829 188 P 4.2778 0.0000 0.0000 62.6932 32.1023 177.3791 189 V 3.6460 8.6986 123.9283 67.0850 31.2913 179.0615 190 Q 4.0100 8.0289 119.7291 60.1835 27.9265 180.4346 191 D 4.5943 8.1715 119.5382 56.8766 41.0079 178.6151 192 A 3.9397 7.9061 120.9751 55.3491 18.4074 179.7337 193 V 3.5568 7.9617 116.7779 65.9683 31.5978 178.0679 194 K 3.9440 8.1097 119.4848 59.3696 31.9272 178.5938 195 Q 3.9732 8.0431 120.0251 59.1261 29.0633 178.2759 196 I 3.7599 7.6154 120.5628 64.5454 37.1173 178.5115 197 I 3.7777 8.1441 120.9491 64.5626 36.9171 178.1118 198 D 4.3649 8.7227 120.0462 57.7128 40.4238 178.3450 199 Y 4.0567 7.8948 118.9252 60.5474 39.0329 177.8674 200 L 4.1117 7.9297 119.8774 57.9541 41.8080 179.1706 201 D 4.3190 8.3499 119.2821 57.4996 40.5215 178.9391 202 T 3.8079 7.7438 109.2271 63.8834 68.6580 175.5520 203 K 3.9780 7.1769 119.0446 55.1543 31.1619 176.9780 204 G 3.8182 7.5345 107.9826 46.3889 0.0000 175.4748 205 Y 4.5839 7.5424 119.0442 59.4680 38.2337 175.5430 206 L 5.1243 7.0988 116.7227 51.9172 44.7026 174.1230 207 P 4.6027 0.0000 0.0000 61.4397 32.6012 175.9703 208 A 4.0370 8.4904 125.1873 52.9853 18.8535 179.0137 209 K 4.3921 8.3469 123.8802 55.0897 33.4229 178.8779 210 K 4.2368 8.2326 116.4171 56.9261 32.4558 171.5405 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 8 H 8.44 4.56 0.00 3.14 3.30 0.00 5.72 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 9 A 7.60 3.81 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 S 7.84 4.70 0.00 3.97 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 11 A 8.20 4.12 1.24 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 12 L 8.39 3.93 0.00 1.57 1.61 0.97 0.92 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 13 T 8.78 4.40 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 14 R 7.83 3.89 0.00 1.97 2.01 0.00 3.12 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 15 S 8.07 4.11 0.00 3.91 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 16 E 8.13 3.93 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 2.33 2.50 0.00 17 R 8.02 3.88 0.00 1.98 2.00 0.00 3.38 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 18 T 8.41 4.04 4.41 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 1.29 0.00 0.00 19 E 8.37 3.89 0.00 1.95 2.20 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 2.34 2.38 0.00 20 L 8.53 4.14 0.00 1.62 1.72 0.95 1.01 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 21 R 8.91 4.12 0.00 1.77 2.00 0.00 3.44 0.00 0.00 3.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 22 N 8.83 4.25 0.00 2.81 2.91 0.00 0.00 7.02 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 23 Q 7.70 4.56 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.51 6.71 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 24 R 8.64 4.47 0.00 1.90 1.91 0.00 3.27 0.00 0.00 3.60 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 25 G 8.18 4.33 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 0.00 26 L 8.09 4.57 0.00 1.65 1.37 0.80 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.74 5.09 4.28 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 1.36 0.00 0.00 28 I 8.89 4.65 1.83 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.92 0.89 0.00 0.00 29 W 8.93 4.74 0.00 3.00 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 30 L 8.90 4.93 0.00 1.59 1.59 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 31 T 10.16 4.83 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 32 G 8.49 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 33 L 7.15 3.85 0.00 1.54 1.46 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.53 3.98 0.00 3.92 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 35 A 7.77 4.41 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 36 S 7.98 3.97 0.00 4.04 4.02 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 0.00 0.00 0.00 37 G 7.89 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 38 K 7.79 3.88 0.00 1.93 2.08 0.00 1.49 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.41 7.81 39 S 7.82 4.09 0.00 3.85 3.85 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 0.00 0.00 0.00 40 T 7.81 3.87 4.36 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 1.18 0.00 0.00 41 L 8.00 3.97 0.00 1.88 1.69 0.92 0.88 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 42 A 8.01 3.94 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 43 V 7.64 3.43 2.20 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 0.97 0.00 0.00 0.94 0.00 0.00 44 E 8.08 3.95 0.00 2.13 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 2.28 2.34 0.00 45 L 8.37 3.91 0.00 1.81 1.88 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.35 3.87 0.00 1.98 2.03 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 2.26 2.26 0.00 47 H 8.23 4.06 0.00 3.42 3.39 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.40 4.31 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.64 2.49 0.00 49 L 8.01 4.02 0.00 1.93 1.74 0.94 0.80 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 50 V 7.94 3.99 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 1.31 0.00 0.00 1.06 0.00 0.00 51 R 8.29 4.04 0.00 1.90 2.09 0.00 3.33 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 52 D 8.02 4.49 0.00 2.81 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 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8.33 4.42 0.00 2.63 2.47 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 0.00 0.00 0.00 0.00 62 G 9.10 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.26 4.69 0.00 2.99 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 64 N 8.93 4.50 0.00 2.90 2.96 0.00 0.00 7.03 8.07 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 65 I 8.07 3.76 2.04 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 1.67 0.77 0.73 0.00 0.00 66 R 8.49 3.83 0.00 1.77 1.60 0.00 3.06 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.97 0.00 67 F 8.26 4.50 0.00 3.20 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 68 G 8.10 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 69 L 9.40 3.91 0.00 1.62 1.74 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.31 4.91 0.00 2.90 2.80 0.00 0.00 6.81 8.23 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 71 K 8.00 4.68 0.00 1.88 2.11 0.00 1.64 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.34 7.81 72 D 7.95 4.50 0.00 2.79 2.82 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 73 L 7.76 4.49 0.00 1.68 1.50 0.94 0.71 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 74 G 8.96 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 75 F 8.71 4.76 0.00 3.05 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 76 S 7.89 4.47 0.00 4.07 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 77 E 8.69 3.95 0.00 2.12 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 2.36 2.44 0.00 78 A 7.95 4.03 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 79 D 8.16 4.26 0.00 2.90 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 80 R 8.23 3.93 0.00 2.07 2.15 0.00 3.30 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 81 N 8.33 4.41 0.00 2.96 2.87 0.00 0.00 6.71 7.20 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 82 E 8.48 3.93 0.00 2.13 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 2.29 2.38 0.00 83 N 8.31 4.48 0.00 3.11 3.02 0.00 0.00 6.70 7.20 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 84 I 7.67 3.93 2.14 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.98 1.06 0.00 0.00 85 R 8.18 3.89 0.00 1.99 2.07 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 86 R 8.17 3.95 0.00 1.84 1.95 0.00 3.15 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 87 I 7.74 3.65 1.80 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 1.03 0.43 0.70 0.00 0.00 88 A 8.51 4.40 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.38 3.98 0.00 2.16 2.03 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 2.49 2.46 0.00 90 V 8.16 3.68 2.31 0.00 0.00 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 1.06 0.00 0.00 91 A 8.53 4.20 1.67 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 0.00 0.00 92 K 8.42 4.03 0.00 1.70 1.97 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.38 7.81 93 L 8.01 4.00 0.00 1.92 1.58 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 94 F 8.60 3.82 0.00 3.38 3.20 0.00 0.00 0.00 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0.00 0.00 0.00 1.07 0.91 0.80 0.00 0.00 103 T 8.39 4.67 3.90 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 0.00 0.00 0.03 0.00 0.00 104 S 8.01 4.90 0.00 3.90 3.87 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 0.00 0.00 0.00 105 F 7.36 4.03 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 0.00 106 I 7.17 3.57 1.58 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.87 0.30 0.00 0.00 107 S 8.18 5.02 0.00 4.22 4.32 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 0.00 108 P 0.00 4.30 0.00 1.21 2.15 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.76 0.00 109 Y 7.36 4.93 0.00 3.17 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 0.00 110 R 9.26 3.86 0.00 1.90 1.91 0.00 3.06 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.89 0.00 128 E 8.91 4.72 0.00 1.94 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 2.11 1.82 0.00 129 T 7.49 4.78 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 1.24 0.00 0.00 130 G 8.19 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.21 4.94 0.00 1.56 1.62 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.44 0.00 1.77 1.99 0.00 3.64 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 1.79 2.12 0.00 133 F 8.97 5.03 0.00 2.98 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 0.00 134 V 8.64 4.22 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 0.94 0.00 0.00 1.15 0.00 0.00 135 E 9.36 4.66 0.00 2.20 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 2.37 0.00 136 V 8.85 4.52 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 0.73 0.00 0.00 0.92 0.00 0.00 137 Y 9.25 5.09 0.00 2.95 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 0.00 138 V 9.08 4.29 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 0.72 0.00 0.00 1.00 0.00 0.00 139 D 8.68 4.40 0.00 1.58 2.26 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 0.00 140 V 8.01 4.81 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 0.85 0.00 0.00 0.89 0.00 0.00 141 P 0.00 4.17 0.00 1.84 1.72 0.00 3.68 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 1.43 1.77 0.00 142 V 8.17 4.02 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 0.69 0.00 0.00 0.94 0.00 0.00 143 E 7.83 4.62 0.00 1.92 1.73 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 2.05 1.78 0.00 *170 A 8.27 4.96 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 0.00 171 P 0.00 4.58 0.00 2.25 2.16 0.00 4.09 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 2.12 2.03 0.00 172 Y 8.59 4.07 0.00 3.10 2.96 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 0.00 0.00 0.00 173 E 8.10 4.69 0.00 1.65 1.64 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 2.20 2.37 0.00 174 A 8.22 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 P 0.00 4.21 0.00 2.08 2.16 0.00 2.36 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 176 A 8.30 4.09 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 0.00 177 N 7.56 5.01 0.00 2.61 2.69 0.00 0.00 6.99 7.69 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 0.00 178 P 0.00 4.49 0.00 2.53 2.07 0.00 3.83 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 2.04 2.07 0.00 179 E 8.63 4.04 0.00 1.63 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 2.43 2.44 0.00 180 V 7.86 4.29 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 0.87 0.00 0.00 0.52 0.00 0.00 181 H 8.96 5.35 0.00 3.20 3.15 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 0.00 182 V 8.88 4.18 2.06 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 0.89 0.00 0.00 0.93 0.00 0.00 183 K 8.55 4.36 0.00 1.61 1.73 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.27 1.17 7.81 184 N 8.52 4.69 0.00 2.66 2.73 0.00 0.00 6.83 8.40 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 0.00 185 Y 7.33 4.55 0.00 2.86 2.83 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 0.00 186 E 8.10 3.45 0.00 1.76 1.72 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 1.47 1.75 0.00 187 L 7.36 4.62 0.00 1.50 1.47 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 188 P 0.00 4.28 0.00 2.39 1.93 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.04 0.00 189 V 8.70 3.65 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 1.07 0.00 0.00 0.90 0.00 0.00 190 Q 8.03 4.01 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 191 D 8.17 4.59 0.00 2.78 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 0.00 192 A 7.91 3.94 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 0.00 193 V 7.96 3.56 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 1.13 0.00 0.00 0.97 0.00 0.00 194 K 8.11 3.94 0.00 1.89 1.95 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.54 7.81 195 Q 8.04 3.97 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 196 I 7.62 3.76 2.04 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 1.55 0.97 0.98 0.00 0.00 197 I 8.14 3.78 1.90 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 1.57 0.88 0.94 0.00 0.00 198 D 8.72 4.36 0.00 2.68 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 0.00 199 Y 7.89 4.06 0.00 3.00 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 0.00 200 L 7.93 4.11 0.00 2.01 1.86 1.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 201 D 8.35 4.32 0.00 2.77 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 0.00 202 T 7.74 3.81 4.11 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 1.26 0.00 0.00 203 K 7.18 3.98 0.00 0.79 0.74 0.00 1.40 0.00 0.00 1.33 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.43 0.88 7.81 204 G 7.53 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 0.00 205 Y 7.54 4.58 0.00 3.08 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 0.00 206 L 7.10 5.12 0.00 1.77 1.59 1.02 1.07 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 0.00 207 P 0.00 4.60 0.00 2.19 2.23 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 208 A 8.49 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 0.00 209 K 8.35 4.39 0.00 1.79 1.66 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.00 7.81 210 K 8.23 4.24 0.00 1.72 1.52 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.26 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.