NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6726 8.1933 116.7651 58.5277 65.5781 171.5469 2 K 4.7496 9.5844 120.1021 53.9708 34.8402 170.4186 3 V 4.5632 8.9512 125.5270 60.9914 34.2380 173.5558 4 L 4.8075 8.8639 130.2459 53.2022 44.4480 174.8807 5 V 4.5755 8.6171 126.5380 61.1148 34.1138 173.9756 6 L 4.8956 8.8439 129.1357 53.1204 43.4889 175.6827 7 K 4.8453 8.5921 124.3309 54.8790 34.0136 177.4910 8 S 4.5817 8.4234 115.1736 57.4239 64.7974 174.2154 9 S 4.3676 7.9786 116.0057 58.7803 62.6427 173.4203 10 I 4.3034 8.4744 118.5183 60.9706 37.9755 176.0412 11 L 4.5730 8.2806 120.2979 53.9066 43.1863 177.5456 12 A 3.6292 7.6931 124.9972 53.2768 17.5578 182.1849 13 G 3.4624 8.7871 109.5671 50.5179 0.0000 173.5478 14 Y 4.4811 7.3967 115.5018 58.2739 38.5467 176.2864 15 S 4.3211 7.8301 116.2426 58.4150 64.1215 174.7184 16 Q 4.0955 8.7065 128.1108 58.9829 28.8026 178.8167 17 S 4.2028 7.9949 114.8683 61.2978 63.1666 176.2204 18 N 4.3486 8.4726 120.4581 56.2225 38.2993 177.2832 19 Q 4.0484 7.9527 119.0021 59.1230 28.7505 179.0905 20 L 4.1740 7.9887 119.7327 57.8160 41.6663 179.7084 21 S 4.1760 8.2795 115.2847 61.6600 62.6571 176.4546 22 D 4.4248 8.4095 121.7612 57.3765 40.5295 178.0853 23 Y 4.2417 8.1579 120.1451 60.7259 38.8171 177.8870 24 F 3.9663 8.6134 121.6441 61.3243 39.4856 177.2772 25 V 3.7510 8.1632 117.7184 66.0883 31.5074 177.6484 26 E 3.9487 8.4479 118.6836 59.8395 29.3028 179.6013 27 Q 3.8500 7.8788 117.6935 58.2303 28.6614 178.5112 28 W 3.8919 8.1066 129.7747 60.2482 30.5191 178.1571 29 R 4.0220 8.0137 117.2230 59.3855 29.5666 178.3343 30 E 3.9715 7.6675 117.4967 59.3917 29.8104 178.7210 31 K 4.0239 7.8771 117.5321 57.7875 33.6864 177.2411 32 H 4.7110 8.0211 116.3547 53.9012 28.5040 174.2121 33 S 4.3907 7.9065 113.7978 59.6085 63.8992 176.0715 34 A 4.2534 7.8147 122.9708 53.8809 18.8746 177.3297 35 D 4.8767 7.6774 115.6889 54.4002 41.7991 176.0107 36 E 4.6670 8.5620 120.6800 55.4725 31.7210 175.3597 37 I 5.0080 8.2629 122.7129 59.9055 40.7306 174.6984 38 T 4.5845 8.9556 123.8849 61.6524 71.1380 173.2192 39 V 4.6403 8.4181 126.2100 61.0322 33.7392 174.3732 40 R 4.4496 8.6467 128.5597 54.5920 32.4485 173.9872 41 D 4.9754 8.5282 126.7530 52.8721 41.8101 176.4354 42 L 4.1080 8.8756 126.9740 56.5853 42.1976 179.5995 43 A 4.0268 8.2727 121.3300 54.5996 19.1427 178.7547 44 A 4.1793 8.2656 117.0022 54.4198 18.7636 177.6106 45 N 4.9908 8.0043 112.8743 50.4468 38.8581 171.9213 46 P 4.7264 0.0000 0.0000 61.8724 32.5388 176.3103 47 I 4.2850 8.0612 123.2184 59.4066 38.3377 174.2524 48 P 4.4802 0.0000 0.0000 62.0225 32.0502 176.3497 49 V 3.7289 8.0847 119.4069 62.9246 31.9149 175.6425 50 L 4.1697 8.4621 128.7188 54.7318 41.7770 175.1202 51 D 5.1098 8.2763 126.6781 51.0485 42.1181 176.8301 52 G 3.6890 8.5561 104.5323 47.1419 0.0000 174.9790 53 E 4.1970 8.1532 121.3665 59.1638 30.0789 178.2365 54 L 4.0403 8.8869 119.4806 57.5465 41.4818 179.7952 55 V 3.8061 8.0932 119.5281 64.7809 30.9978 178.6517 56 G 3.6255 7.9738 106.1295 47.6013 0.0000 175.5305 57 A 4.0076 7.8115 123.2419 54.7251 18.5289 178.0468 58 L 4.4721 7.5528 113.9299 54.9243 41.2757 176.7636 59 R 4.2736 7.2244 117.6223 57.3486 32.9593 176.9350 *63 A 4.2769 7.4208 122.5001 51.4796 19.6052 174.3431 64 P 4.4857 0.0000 0.0000 62.9164 32.1545 175.6196 65 L 4.9336 8.0118 120.3634 52.7735 44.3283 177.3616 66 T 4.1355 8.8145 113.6361 60.7391 70.8056 173.7949 67 P 4.2368 0.0000 0.0000 66.0846 31.2406 179.0308 68 R 3.9395 7.9839 115.9249 59.4391 30.0437 178.9096 69 Q 4.0128 8.0364 117.6294 59.2185 28.8386 179.0658 70 Q 4.0408 8.2338 118.9252 58.9120 28.6281 178.8275 71 E 3.9490 8.1281 119.2319 59.3373 29.4808 179.0974 72 A 3.9824 8.3121 121.2139 55.0810 18.3362 179.4767 73 L 3.8646 8.0873 118.5083 58.2789 42.3511 179.0029 74 A 3.9938 7.8954 120.4703 55.1194 18.3006 179.4217 75 L 3.9406 8.2212 119.0577 58.0919 42.1816 179.0622 76 S 4.0645 8.3126 113.4734 61.6762 62.3928 175.9010 77 D 4.3881 8.4288 121.8871 57.1836 40.4865 178.5533 78 E 3.8879 8.0944 119.3734 59.4055 29.7798 178.8052 79 L 4.0994 7.9875 118.9637 57.9540 41.6359 179.7865 80 I 3.7441 7.9078 119.4541 64.1283 37.0942 178.1729 81 A 3.9824 7.9515 121.6835 55.1814 18.0025 179.1537 82 E 3.9173 8.0518 116.3449 59.4419 30.1302 178.4219 83 L 4.1697 8.0487 120.1746 58.3314 41.9950 179.1068 84 K 4.1428 8.1340 116.3781 58.6151 32.0977 178.5280 85 A 4.2214 7.8585 119.6559 52.6355 18.9061 176.7323 86 H 4.9005 7.0498 112.9908 54.2647 31.5813 173.9907 87 D 4.6800 9.1174 121.3735 55.4629 42.9866 176.7010 88 V 4.6232 7.6082 118.7347 61.0441 34.0923 174.4116 89 I 4.6623 8.8557 129.7461 59.6891 39.3548 174.6997 90 V 4.3205 8.8913 129.2557 61.0963 33.4057 174.5005 91 I 4.7589 8.5057 128.7190 59.2523 39.9577 174.6056 92 A 4.4647 8.8424 130.7496 51.2971 18.5813 177.5018 93 A 4.6498 8.7699 125.6406 48.9846 18.7038 173.0762 94 P 4.2625 0.0000 0.0000 62.5171 32.5990 176.6540 95 M 4.4130 8.1407 122.5751 54.8268 33.1516 174.9650 96 Y 4.8312 8.7204 124.0717 57.6594 41.1946 175.6612 97 N 4.0552 9.7551 122.6684 54.5740 36.2668 174.6261 98 F 3.8246 7.6699 111.0477 57.9874 37.2240 174.5392 99 N 5.0179 7.9347 119.2357 50.8806 41.8340 173.4525 100 I 4.2830 7.9832 115.0007 60.1900 38.5578 176.2466 101 S 4.5123 8.0852 115.5030 58.4927 65.0040 175.3756 102 T 3.9317 8.5642 120.2599 66.7865 67.9221 176.9717 103 Q 4.0059 8.0536 119.8937 58.7371 28.7573 178.3314 104 L 3.6976 7.6566 121.1846 57.6182 42.0488 178.6086 105 K 3.7877 7.9047 119.6126 59.8477 31.9620 178.4569 106 N 4.3531 8.2421 116.4795 56.2525 38.4291 176.8205 107 Y 4.0541 7.5108 120.8979 60.7640 38.8572 178.0400 108 F 4.4941 8.1117 118.6725 60.9889 38.7733 177.5170 109 D 4.4621 8.3401 117.0746 56.8063 40.6419 178.0421 110 L 4.3451 7.5753 118.0968 56.0188 42.0617 178.3786 111 V 4.0099 7.4226 117.1864 63.5192 31.7683 175.6630 112 A 4.4238 8.1225 122.4701 51.6906 18.3794 177.0497 113 R 4.6248 9.3389 122.1524 54.8217 34.3437 175.0654 114 A 2.6468 8.3844 126.4198 53.0636 18.7185 177.5229 115 G 3.7887 8.4476 110.9582 45.7689 0.0000 173.6243 116 V 4.1553 7.3190 116.8303 64.0094 33.5843 176.1257 117 T 4.5620 8.0134 108.6223 61.9381 71.0171 173.1223 118 F 5.1549 7.3117 116.2387 55.9450 41.9781 172.9140 119 R 4.2917 8.5811 112.9517 55.5388 32.7276 173.4090 120 Y 5.0700 8.3330 118.3120 57.3226 39.5226 175.0437 121 T 4.7435 8.6944 112.6051 59.9193 72.2706 174.2125 122 E 4.0466 8.7032 121.2409 58.1894 29.7307 176.3410 123 N 4.5539 7.4808 115.4115 53.1883 39.2961 172.8250 124 G 3.8063 7.8085 103.0347 43.8662 0.0000 171.8033 125 P 4.8803 0.0000 0.0000 62.6224 32.0299 175.9031 126 E 4.4896 8.7438 121.5467 54.5693 33.1439 174.6068 127 G 3.8450 8.5641 114.2734 46.2305 0.0000 173.2220 128 L 4.5351 8.6995 122.5344 54.3837 43.2906 177.3099 129 V 4.1050 8.3281 121.4596 61.7062 31.2228 175.0190 130 T 4.4469 8.1497 116.5452 60.2435 71.3344 174.5016 131 G 3.8891 8.5981 107.4227 46.3443 0.0000 173.3970 132 K 4.7975 7.8693 117.3435 54.3778 34.7078 175.7573 133 K 4.6713 8.6000 122.0046 54.6132 34.7685 175.1525 134 A 5.1867 8.8850 126.3335 50.1016 22.4742 175.0134 135 I 4.7754 8.4362 121.1400 59.4588 40.9196 174.5828 136 V 4.4008 8.2822 127.7901 61.4040 33.3776 174.5148 137 I 4.6113 8.5474 129.3831 60.0368 39.0809 174.5024 138 T 4.9841 9.0197 123.4837 59.2483 69.7312 172.7829 139 S 5.3639 8.5549 123.5509 57.1217 65.8278 173.2787 140 R 4.8196 9.1064 120.4419 54.8113 34.4829 176.4221 141 G 3.4890 9.1349 110.3082 49.3989 0.0000 173.3612 142 G 4.7015 7.8847 108.1075 44.5752 0.0000 172.3490 143 I 4.6751 8.2911 121.9710 60.1787 38.7698 174.7786 144 H 4.8914 9.2509 121.8968 54.8649 30.9335 174.3569 145 K 3.8133 8.0528 120.6963 57.9831 32.1431 175.6501 146 D 4.3699 8.8171 123.6791 55.0667 38.4429 173.0041 147 G 4.2654 7.6405 107.1082 42.7493 0.0000 172.4678 148 P 4.4502 0.0000 0.0000 64.3145 31.5227 177.1096 149 T 4.1266 7.7941 108.0738 62.1253 69.3506 174.6629 150 D 4.6927 7.6564 123.0094 53.5297 40.0998 175.8004 151 L 4.5059 8.0792 125.1721 55.0594 42.4564 178.3331 152 V 3.7914 7.8901 118.6483 66.3198 31.5016 177.7973 153 T 3.7795 8.2048 115.5084 66.2053 68.3689 175.0781 154 P 4.3487 0.0000 0.0000 65.7816 31.2718 177.7997 155 Y 4.1827 8.1070 119.4516 60.6770 38.7778 177.7434 156 L 3.8466 8.3525 120.1009 57.8808 41.7428 179.7377 157 S 4.2625 8.3068 115.1199 61.8903 62.7687 176.9550 158 T 3.8811 8.0997 118.4512 66.5299 67.7442 176.7166 159 F 3.8094 8.2631 122.9056 61.1872 39.3408 177.2184 160 L 3.9248 7.8843 118.7656 57.5955 41.5119 179.6942 161 G 3.5623 8.0987 105.7171 47.7596 0.0000 175.3180 162 F 3.9884 7.8219 122.3391 60.6073 39.6383 176.3794 163 I 4.0446 7.0179 109.7317 60.3763 37.6705 176.3169 164 G 3.8829 6.9556 106.9147 46.2728 0.0000 174.7609 165 I 4.1330 7.6421 121.9054 60.2728 35.9268 175.1052 166 T 4.2148 8.0716 114.9322 61.9139 70.0377 175.0805 167 D 4.6673 7.7813 122.6918 53.0011 41.1016 174.1034 168 V 4.7439 8.0847 123.4736 60.5323 34.4725 174.2820 169 K 4.7760 8.6509 126.4216 54.6107 35.2131 174.9333 170 F 5.0347 8.9213 121.9091 55.6141 41.6167 174.9824 171 V 4.5465 8.6119 122.6605 61.0992 34.3204 173.9886 172 F 5.3146 9.1678 125.6923 55.7780 41.5594 175.2164 173 A 4.6858 9.2166 124.9879 50.1844 20.3129 174.7080 174 E 4.9453 8.7640 119.3037 55.8304 32.9984 176.2744 175 G 4.0855 8.8552 107.5787 46.4664 0.0000 175.9882 176 I 3.6994 7.7131 123.3297 64.1208 37.1197 178.1200 177 A 4.1758 7.9608 121.2866 54.0844 18.2409 177.6890 178 Y 4.0468 7.7185 112.8447 58.1224 38.4203 174.3826 179 G 3.9814 7.8850 105.3263 42.7417 0.0000 172.8763 180 P 4.2554 0.0000 0.0000 65.7970 31.0469 178.7342 181 E 4.0195 8.0955 115.6349 59.5896 29.8274 178.8399 182 M 4.0635 8.0503 118.9860 57.8894 32.0550 178.3354 183 A 3.9935 8.4801 121.1925 55.1008 18.5210 179.4298 184 A 3.9237 8.2056 119.4013 55.2737 18.3835 179.7003 185 K 3.8193 8.2459 117.8633 59.5716 32.1591 178.8024 186 A 4.0024 8.2310 121.0695 55.2386 18.2944 179.5786 187 Q 3.8948 8.2174 116.5689 59.0970 28.8182 178.9614 188 S 4.0017 8.1738 114.0841 61.6038 62.4962 175.9394 189 D 4.3458 8.3489 121.4145 57.3715 40.5074 178.7293 190 A 4.0792 8.2810 121.3954 55.1269 18.3161 179.8196 191 K 3.8639 8.2373 116.8816 59.5484 31.9625 179.4739 192 A 4.0503 8.1043 120.8704 54.9605 18.3025 179.4364 193 A 4.0398 8.0718 119.3221 55.4311 18.3848 179.9932 194 I 3.9449 8.1914 118.3463 64.7233 37.3736 178.0897 195 D 4.4513 8.6119 120.4426 57.7245 40.2471 179.1772 196 S 4.3653 8.0624 113.0595 60.4024 62.9823 176.5156 197 I 3.8991 7.1615 122.1980 64.3878 37.1521 177.8526 198 V 3.7481 7.8966 118.2503 65.7302 31.3864 177.5743 199 S 4.3028 7.8054 111.9608 59.9567 63.4529 174.5247 200 A 4.2803 7.5387 127.6557 52.3387 18.3043 176.8110 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 S 8.19 4.67 0.00 3.99 4.10 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 2 K 9.58 4.75 0.00 1.63 1.67 0.00 1.68 0.00 0.00 1.46 0.00 0.00 3.14 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.45 7.81 3 V 8.95 4.56 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 0.73 0.00 0.00 0.05 0.00 0.00 4 L 8.86 4.81 0.00 1.39 1.33 0.78 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.62 4.58 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 0.78 0.00 0.00 0.73 0.00 0.00 6 L 8.84 4.90 0.00 1.30 1.17 0.60 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.59 4.85 0.00 1.63 1.71 0.00 1.56 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.29 7.81 8 S 8.42 4.58 0.00 3.78 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.98 4.37 0.00 3.88 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 10 I 8.47 4.30 1.84 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.67 0.97 0.00 0.00 11 L 8.28 4.57 0.00 1.82 1.82 1.01 0.92 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 12 A 7.69 3.63 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.79 3.46 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 14 Y 7.40 4.48 0.00 3.21 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 15 S 7.83 4.32 0.00 3.92 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 16 Q 8.71 4.10 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.68 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 17 S 7.99 4.20 0.00 4.00 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 18 N 8.47 4.35 0.00 2.75 2.89 0.00 0.00 6.92 8.38 0.00 0.00 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 Q 7.95 4.05 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 20 L 7.99 4.17 0.00 1.91 1.80 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.28 4.18 0.00 4.01 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 22 D 8.41 4.42 0.00 2.90 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 8.16 4.24 0.00 3.14 3.25 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 24 F 8.61 3.97 0.00 3.30 3.19 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 25 V 8.16 3.75 2.28 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 1.03 0.00 0.00 1.06 0.00 0.00 26 E 8.45 3.95 0.00 2.05 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 2.34 2.47 0.00 27 Q 7.88 3.85 0.00 1.67 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.83 0.00 0.00 0.00 0.00 0.00 1.48 1.68 0.00 28 W 8.11 3.89 0.00 3.33 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.01 4.02 0.00 2.03 2.01 0.00 3.24 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.97 0.00 30 E 7.67 3.97 0.00 2.11 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 2.24 2.28 0.00 31 K 7.88 4.02 0.00 1.21 1.38 0.00 1.54 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.38 7.81 32 H 8.02 4.71 0.00 2.49 3.04 0.00 5.61 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.91 4.39 0.00 3.97 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 34 A 7.81 4.25 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 35 D 7.68 4.88 0.00 3.00 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 36 E 8.56 4.67 0.00 1.95 1.88 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 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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 82 E 8.05 3.92 0.00 2.13 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 2.36 2.40 0.00 83 L 8.05 4.17 0.00 2.04 1.89 1.04 0.56 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 84 K 8.13 4.14 0.00 1.85 1.85 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.54 7.81 85 A 7.86 4.22 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 86 H 7.05 4.90 0.00 3.20 3.32 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 9.12 4.68 0.00 2.65 2.71 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 0.00 0.00 0.00 0.00 88 V 7.61 4.62 1.74 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 0.57 0.00 0.00 0.92 0.00 0.00 89 I 8.86 4.66 1.80 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 1.07 0.88 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.45 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 0.00 0.00 0.00 116 V 7.32 4.16 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 0.85 0.00 0.00 0.86 0.00 0.00 117 T 8.01 4.56 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 1.26 0.00 0.00 118 F 7.31 5.15 0.00 2.60 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.58 4.29 0.00 1.72 1.79 0.00 2.71 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 1.37 1.49 0.00 120 Y 8.33 5.07 0.00 2.92 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 0.00 121 T 8.69 4.74 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 1.22 0.00 0.00 122 E 8.70 4.05 0.00 1.97 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 2.30 2.25 0.00 123 N 7.48 4.55 0.00 2.58 2.80 0.00 0.00 7.32 7.86 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 0.00 124 G 7.81 3.81 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 0.00 125 P 0.00 4.88 0.00 2.20 2.13 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 126 E 8.74 4.49 0.00 1.93 1.63 0.00 0.00 0.00 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 2.21 0.00 127 G 8.56 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 0.00 0.00 0.00 128 L 8.70 4.54 0.00 1.60 1.62 0.85 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.33 4.10 2.14 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 0.95 0.00 0.00 0.89 0.00 0.00 130 T 8.15 4.45 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 131 G 8.60 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 0.00 0.00 0.00 132 K 7.87 4.80 0.00 1.59 1.70 0.00 1.60 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.49 7.81 133 K 8.60 4.67 0.00 1.71 1.70 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.37 7.81 134 A 8.89 5.19 1.13 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 0.00 0.00 135 I 8.44 4.78 1.62 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.64 0.86 0.00 0.00 136 V 8.28 4.40 1.38 0.00 0.00 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 0.66 0.00 0.00 137 I 8.55 4.61 1.79 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 1.10 0.54 0.90 0.00 0.00 138 T 9.02 4.98 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 0.96 0.00 0.00 139 S 8.55 5.36 0.00 3.94 3.96 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 0.00 140 R 9.11 4.82 0.00 1.87 1.92 0.00 3.41 0.00 0.00 3.58 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 141 G 9.13 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.88 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 8.29 4.68 1.85 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.76 0.86 0.00 0.00 144 H 9.25 4.89 0.00 3.36 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 8.05 3.81 0.00 1.51 1.49 0.00 0.78 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.03 0.36 7.81 146 D 8.82 4.37 0.00 2.78 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 0.00 147 G 7.64 4.27 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 0.00 148 P 0.00 4.45 0.00 2.17 2.17 0.00 3.77 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 1.98 1.94 0.00 149 T 7.79 4.13 4.40 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 1.22 0.00 0.00 150 D 7.66 4.69 0.00 2.82 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 0.00 151 L 8.08 4.51 0.00 1.75 1.71 0.88 0.81 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 0.00 152 V 7.89 3.79 2.30 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 1.26 0.00 0.00 0.98 0.00 0.00 153 T 8.20 3.78 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 0.52 0.00 0.00 154 P 0.00 4.35 0.00 2.31 2.33 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.05 0.00 155 Y 8.11 4.18 0.00 3.14 3.35 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 0.00 156 L 8.35 3.85 0.00 2.22 1.88 1.12 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 157 S 8.31 4.26 0.00 4.12 4.01 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 0.00 158 T 8.10 3.88 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 159 F 8.26 3.81 0.00 2.63 2.46 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 0.00 160 L 7.88 3.92 0.00 1.79 1.77 0.91 0.94 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 0.00 161 G 8.10 3.56 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 0.00 0.00 0.00 162 F 7.82 3.99 0.00 2.88 2.85 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 0.00 163 I 7.02 4.04 1.72 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.77 0.56 0.00 0.00 164 G 6.96 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 I 7.64 4.13 1.91 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 1.31 0.57 0.87 0.00 0.00 166 T 8.07 4.21 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 1.23 0.00 0.00 167 D 7.78 4.67 0.00 2.75 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 V 8.08 4.74 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 0.21 0.00 0.00 0.86 0.00 0.00 169 K 8.65 4.78 0.00 1.70 1.68 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.40 7.81 170 F 8.92 5.03 0.00 2.96 2.48 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 0.00 171 V 8.61 4.55 2.19 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 1.14 0.00 0.00 1.01 0.00 0.00 172 F 9.17 5.31 0.00 2.97 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 0.00 173 A 9.22 4.69 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 0.00 174 E 8.76 4.95 0.00 1.89 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 2.37 2.44 0.00 175 G 8.86 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 0.00 176 I 7.71 3.70 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.95 0.00 0.00 177 A 7.96 4.18 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 Y 7.72 4.05 0.00 3.08 3.03 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 0.00 179 G 7.88 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 0.00 180 P 0.00 4.26 0.00 2.18 2.15 0.00 3.62 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 2.13 2.17 0.00 181 E 8.10 4.02 0.00 2.17 2.21 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 2.38 2.35 0.00 182 M 8.05 4.06 0.00 2.23 2.35 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.57 0.00 183 A 8.48 3.99 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 0.00 184 A 8.21 3.92 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 0.00 185 K 8.25 3.82 0.00 1.84 1.96 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 186 A 8.23 4.00 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 0.00 187 Q 8.22 3.89 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 188 S 8.17 4.00 0.00 3.85 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 0.00 189 D 8.35 4.35 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 A 8.28 4.08 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 K 8.24 3.86 0.00 1.81 1.41 0.00 1.34 0.00 0.00 0.80 0.00 0.00 2.59 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.45 1.29 7.81 192 A 8.10 4.05 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 0.00 193 A 8.07 4.04 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 0.00 0.00 0.00 0.00 0.00 194 I 8.19 3.94 2.33 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.89 1.11 0.00 0.00 195 D 8.61 4.45 0.00 2.90 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 S 8.06 4.37 0.00 4.06 4.16 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 0.00 197 I 7.16 3.90 2.21 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 1.52 0.78 1.17 0.00 0.00 198 V 7.90 3.75 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 0.60 0.00 0.00 0.73 0.00 0.00 199 S 7.81 4.30 0.00 4.04 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 0.00 200 A 7.54 4.28 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.