NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.4456 8.1127 119.6518 56.1441 32.0737 173.5721 3 V 4.5954 8.5049 124.4319 59.9615 34.7869 172.3672 4 L 4.6970 8.9058 129.5601 53.1194 45.0803 174.1637 5 F 4.9587 8.8662 129.5757 56.5716 41.3028 174.4027 6 I 4.2035 8.5161 129.2034 60.1529 37.9840 176.2100 7 G 4.5342 8.9905 115.0452 46.4945 0.0000 174.4453 8 D 4.5971 7.9245 120.6064 51.1782 38.0534 176.3567 9 V 4.4034 8.5336 122.7056 61.0558 32.6378 176.6281 *11 A 4.4253 8.2944 124.9682 51.6249 19.2819 179.1810 12 E 3.9935 8.9917 113.0013 60.6217 29.3513 177.2032 13 P 4.3941 0.0000 0.0000 65.4459 31.4574 178.6209 14 G 3.7771 8.1121 103.9207 47.6099 0.0000 175.1674 15 L 3.9742 8.0018 122.1515 57.3821 41.6064 179.6261 16 R 3.8885 8.6223 118.3942 59.5048 29.9732 178.2293 17 A 4.2906 8.3895 120.6960 55.4228 18.4240 179.8529 18 V 3.9056 8.0984 116.8502 66.1591 31.4261 178.4936 19 G 3.5998 8.2110 104.7575 47.6994 0.0000 175.3699 20 L 4.1052 8.0352 120.6633 57.3312 42.0924 178.3501 21 H 3.7001 7.8702 117.7116 58.1495 29.8866 176.5646 22 L 3.5372 7.3261 122.1012 57.9744 41.5408 177.1673 23 P 4.1483 0.0000 0.0000 65.8179 31.2892 178.0191 24 D 4.3799 7.7999 116.9291 55.9818 40.9840 177.5721 25 I 4.2384 6.9941 110.8092 60.0061 38.6629 177.0262 26 R 3.9016 8.0657 122.2919 60.1746 29.6639 177.5335 27 D 4.3405 8.0884 115.8648 56.8960 40.8760 178.0904 28 R 3.9584 7.7327 116.9927 55.9361 30.4285 175.4392 29 Y 4.8648 7.2594 115.8545 56.3669 42.0246 174.6741 30 D 4.7519 8.8886 121.2621 55.9010 42.2715 177.3781 31 L 5.0322 7.8046 116.8254 52.8444 46.4661 175.8353 32 V 4.6701 8.8286 122.1298 61.1234 34.6419 174.1597 33 I 4.7789 8.7406 128.1442 59.3462 40.6967 174.4856 34 A 4.3678 8.1440 126.4622 49.9937 23.0251 174.6391 35 N 5.1997 7.9482 121.3792 52.3244 40.2831 175.3874 36 G 4.1898 9.0427 113.3250 45.9982 0.0000 174.3437 37 E 3.9294 8.4424 124.2004 58.4218 29.2588 177.9647 38 N 4.8503 7.9721 113.0230 52.6759 39.4067 175.8563 39 A 3.8610 7.9497 123.6888 54.7847 18.6498 178.3497 40 A 4.2720 8.4987 120.2561 51.6771 17.4771 177.6641 41 R 4.8551 8.8603 116.3350 56.3042 28.3428 177.2372 42 G 4.1056 8.3104 105.3212 45.2541 0.0000 174.2359 43 K 4.0772 8.1064 117.9171 56.9260 34.2495 176.3802 44 G 3.7857 9.0624 112.0164 44.2504 0.0000 170.2272 45 L 4.8083 7.9266 119.2876 53.0476 44.4560 175.3737 46 D 4.8667 8.1517 125.1156 51.2420 42.3667 176.9267 47 R 3.9546 9.1750 117.7668 59.4456 29.8240 179.2787 48 R 3.8634 7.9405 117.9375 59.4990 30.1594 178.5087 49 S 4.0763 9.2280 115.6447 61.7405 62.8018 175.9905 50 Y 3.9952 7.9330 121.9799 60.9502 38.5157 178.3123 51 R 3.6164 8.1930 118.9230 59.2020 30.1669 179.1367 52 L 3.8972 7.9131 118.6240 57.7168 41.6575 179.5183 53 L 3.8833 7.8717 118.9538 57.7947 41.6343 179.8348 54 R 4.1067 7.7198 119.6304 58.7578 29.7040 178.9881 55 E 3.8995 7.9833 117.1838 59.1806 29.4965 178.8697 56 A 4.1606 7.5976 119.4005 52.7799 18.5555 177.2768 57 G 3.5627 6.8999 104.8240 45.0781 0.0000 173.9974 58 V 3.7447 7.9211 122.0301 62.2570 31.9486 176.3756 59 D 4.4441 8.4848 127.5903 56.2374 41.8681 176.9393 60 L 4.4359 7.3613 119.4899 53.2690 45.8376 174.7487 61 V 4.7661 8.3264 126.0862 61.0828 34.0926 174.7261 62 S 5.2982 8.6095 121.9867 56.1882 66.2750 176.4976 63 L 4.3938 9.7885 119.4029 54.0854 43.3868 181.1021 64 G 3.5931 8.5508 120.0799 46.1627 0.0000 173.0179 65 N 4.7029 8.5244 118.5149 55.1988 37.8252 175.4263 66 H 4.8863 8.6447 116.1253 55.5151 29.0611 176.4125 67 A 3.5798 7.3763 124.6116 54.3651 17.9888 179.1671 68 W 4.6553 7.2064 112.7844 56.5880 29.7523 176.5430 69 D 4.4578 7.9239 119.5440 56.8787 41.0229 175.9101 70 H 4.8141 7.9436 119.3859 53.8782 30.7315 174.9008 71 K 4.5792 8.7091 126.9325 59.4276 32.4520 178.1119 72 E 4.2759 8.4127 119.2673 58.2820 29.5239 178.8343 73 V 3.6180 7.6836 113.2084 64.1140 31.2655 177.8594 74 Y 4.1268 7.2277 114.8898 61.1241 37.6950 178.2839 75 A 4.1914 8.0662 121.1328 55.0876 18.4866 179.5117 76 L 3.7499 7.4433 116.2024 57.8386 41.3908 179.7415 77 L 3.9340 8.2085 118.6786 57.2940 41.5722 178.7963 78 E 4.3076 7.8160 116.5505 58.0000 29.9638 177.4021 79 S 4.6437 7.9220 110.4264 57.2746 64.6671 173.5047 80 E 4.5986 8.0101 120.4070 54.1859 31.4258 175.1621 81 P 2.9700 0.0000 0.0000 61.4785 29.3070 174.6577 82 V 4.7669 7.0389 120.0433 60.9211 35.1866 174.5134 83 V 4.9296 8.8219 120.0126 59.5732 36.1132 174.6593 84 R 5.0375 8.5817 118.9844 53.1804 33.3962 173.0371 85 P 4.7507 0.0000 0.0000 63.1609 31.5771 177.5986 86 L 4.0862 9.0530 127.2745 58.0958 42.3012 177.5044 87 N 4.2656 8.4317 116.7697 56.7694 38.8712 174.2473 88 Y 4.2119 7.5928 114.2071 57.1826 38.2236 174.3134 89 P 4.8218 0.0000 0.0000 60.9655 32.4431 174.1083 90 P 4.1975 0.0000 0.0000 64.5319 31.6129 177.1055 91 G 3.9410 8.9164 108.7923 45.6694 0.0000 173.4558 92 T 4.1166 7.2805 116.2495 61.6232 69.1745 173.2189 93 P 4.3081 0.0000 0.0000 63.9455 31.8039 176.8103 94 G 4.0247 8.6225 107.4294 45.2989 0.0000 172.7703 95 K 4.5790 8.2764 117.1884 54.9942 33.9343 177.7728 96 G 4.6981 8.5902 108.7825 46.7563 0.0000 172.7188 97 F 5.4282 7.5243 113.3840 56.0363 41.3384 173.1287 98 W 4.7869 9.6632 127.5755 56.2814 34.4966 172.8204 99 R 5.2006 8.1331 126.7272 54.9848 30.9289 175.1411 100 L 5.0537 9.1745 126.7559 53.2720 44.7145 175.0442 101 E 5.2011 8.6804 121.4268 54.6009 32.4014 175.3203 102 V 4.4164 9.2066 125.3899 63.0464 34.9630 174.2403 103 G 4.2165 9.9647 114.7380 46.4752 0.0000 173.6483 104 G 4.2126 8.5100 109.6167 45.3115 0.0000 174.9478 105 E 4.5325 8.3380 118.9831 56.0369 30.5060 175.5000 106 S 5.3627 8.9216 115.0430 56.5461 66.5211 172.6298 107 L 5.3116 8.9398 123.4980 53.4128 44.9951 174.6560 108 L 4.9390 9.3325 129.5459 53.8600 43.5981 174.5543 109 F 5.4576 9.6252 129.9281 56.6319 41.9243 174.5282 110 V 4.5468 7.7685 124.7808 61.1773 35.0501 173.4680 111 Q 4.9387 8.2956 128.3437 54.5581 31.4590 174.4731 112 V 4.2584 8.6605 126.0797 60.6871 34.8972 174.4872 *114 G 3.9939 8.6792 108.7169 46.0551 0.0000 172.1812 115 R 4.4236 9.0933 116.6249 55.8980 32.4325 176.5060 116 I 3.6130 7.6898 118.5535 61.3518 38.3717 175.2882 117 F 3.9545 8.3737 126.7999 58.6782 35.0990 174.8712 *119 D 4.4395 7.7769 118.2736 53.1612 42.1951 174.4032 120 P 4.3307 0.0000 0.0000 62.9241 31.8182 175.2749 121 L 4.9175 7.9566 121.1345 52.6267 45.4632 175.5660 122 D 4.5616 8.2726 119.0190 54.3510 42.5152 175.9155 123 D 4.6729 8.6982 120.7266 54.2152 41.6537 175.3603 124 P 4.4368 0.0000 0.0000 65.1691 31.3782 178.1948 125 F 4.0134 8.3681 117.6562 60.8532 38.9218 177.8546 126 R 4.3812 8.4914 116.2309 58.5805 30.0205 178.8821 127 A 4.0331 7.8582 120.9014 55.1176 18.3528 179.6176 128 L 3.9504 8.3696 117.9642 57.9333 41.3594 179.4736 129 D 4.3719 7.9845 118.5667 57.4171 40.3942 179.0727 130 R 3.9205 8.0464 118.5359 59.0246 30.0920 178.9065 131 L 3.7675 7.9266 119.9726 58.2163 41.9996 179.0469 132 L 4.2231 7.9616 117.4160 57.2108 41.4787 179.2430 133 E 4.0994 7.5572 118.3687 59.2104 29.6743 178.4310 134 E 4.1586 7.6517 115.6486 57.0531 30.2242 176.5596 135 E 4.5620 8.0140 119.4859 54.2025 31.1597 175.3747 136 K 4.6116 8.1047 121.9038 54.8418 35.5347 174.9783 137 A 4.4981 7.8429 121.5938 51.2526 21.7282 176.3533 138 D 4.2891 8.9358 120.5767 57.0546 41.3851 176.7803 139 Y 4.8440 8.1198 114.1608 56.1544 43.1212 174.9634 140 V 4.9224 8.4938 120.5738 61.3456 35.2188 173.6116 141 L 5.3291 9.2882 130.4383 53.3158 44.7575 174.8576 142 V 4.6294 8.7176 126.3870 61.0243 34.2631 173.5442 143 E 4.7529 9.0825 129.4612 54.7512 31.6847 174.6531 144 V 4.5253 8.7285 128.2159 61.6649 32.7428 173.6846 145 H 4.8331 9.2745 128.3900 54.4591 29.0939 173.7034 146 A 4.6092 8.2622 125.5243 50.6479 22.2980 175.6609 147 E 4.1042 8.9478 119.3803 58.5662 30.5934 176.9351 148 A 4.3933 7.9099 122.8296 51.7264 18.9931 178.2836 149 T 4.0653 8.6851 114.3946 64.5350 69.3486 176.1076 150 S 4.2669 8.1327 116.1263 61.0856 63.4592 175.0840 151 E 4.1452 8.2309 121.6368 58.9246 29.7771 178.8498 152 K 4.3522 8.0647 114.9920 57.0487 31.6880 178.5206 *154 A 4.3669 8.1069 124.2955 52.3570 20.6662 180.0044 155 L 4.0236 8.2845 115.7318 57.6318 41.2854 179.5946 156 A 3.9828 7.9080 120.0880 55.6278 18.7447 179.1886 157 H 4.1995 8.1115 114.2443 59.0220 28.6480 177.2134 158 Y 4.3561 8.2343 120.3495 59.7252 38.9094 176.7259 159 L 4.3655 7.6567 117.9643 53.4954 42.2234 175.7933 160 D 4.4392 7.2546 120.0601 55.8664 41.4857 177.0554 161 G 3.9940 9.3358 115.6449 45.5187 0.0000 174.5202 162 R 4.1640 7.3734 116.7970 57.6101 31.0478 176.6314 163 A 4.5801 7.7999 119.6010 50.8634 20.4107 177.4024 164 S 4.3619 8.6984 117.8799 61.3313 64.0171 174.3896 165 A 5.2955 7.7641 118.9708 50.6345 23.0253 175.5060 166 V 4.7992 9.3120 120.2380 61.2683 34.7533 174.2261 167 L 4.9115 8.8759 128.2755 52.8322 44.6066 176.3938 168 G 4.7890 9.0314 110.9652 45.1900 0.0000 172.7268 169 T 5.2821 8.3301 109.9120 61.5244 72.0017 173.1023 170 H 4.3200 9.2211 119.7048 56.7282 30.2422 176.3279 171 T 3.9148 7.8543 114.3211 64.5552 68.5002 174.9834 172 H 4.1754 8.7042 116.0145 56.0898 25.8978 174.5562 173 V 4.5987 7.6378 119.4555 60.8065 33.7480 172.4243 174 P 4.7488 0.0000 0.0000 63.7138 31.5393 175.5600 175 T 4.4693 8.7479 114.0205 59.3319 70.4734 175.1726 176 L 4.4827 8.0353 128.2540 54.7554 41.3480 175.9278 177 D 4.8222 7.5851 112.3443 52.6988 40.7739 175.4899 178 A 4.3060 8.1412 121.6148 53.8935 18.7902 177.7172 179 T 4.7221 8.6805 112.5569 61.0014 72.4302 172.2555 180 R 5.1763 8.4351 116.7162 54.7766 32.2202 175.6264 181 L 4.3488 9.4031 122.7255 53.3361 42.8301 176.2669 182 P 4.1848 0.0000 0.0000 66.1369 31.1178 177.8485 183 K 4.2155 9.3705 114.8666 56.6872 31.8130 178.0260 184 G 4.0356 8.5869 108.6285 45.0029 0.0000 174.3667 185 T 4.2494 8.1668 117.9253 63.6147 69.5747 174.0456 186 L 4.8487 9.0369 126.5607 54.9583 43.4002 175.3276 187 Y 5.6792 8.9672 122.0504 56.3349 43.2557 173.7257 188 Q 3.9987 6.7886 121.6430 55.4375 32.0334 174.1432 189 T 4.0114 7.9816 124.2417 65.7966 69.8369 173.9437 190 D 4.8600 8.4408 121.4245 53.0059 44.1957 176.1996 191 V 3.6833 8.5888 127.3113 63.5006 32.1823 177.1161 192 G 3.8581 8.9226 108.2166 45.0686 0.0000 175.3352 *194 T 4.5128 7.8488 116.5144 62.2234 69.3356 173.1823 195 G 3.9772 7.7732 114.8841 46.2863 0.0000 169.4903 196 T 4.6879 8.2268 114.7723 60.8425 67.8850 175.1894 197 Y 4.1446 8.6017 125.3862 58.8665 38.7304 176.1259 198 H 4.7304 7.5379 119.7447 52.6550 27.5692 174.5226 199 S 4.5412 6.7733 112.4963 58.3828 66.9166 176.4236 200 I 4.2684 6.9469 113.6858 60.5614 39.1606 174.9056 201 I 3.1644 9.7147 124.4359 61.8330 34.8553 175.0602 202 G 3.8314 7.7860 108.6090 45.0162 0.0000 174.4811 203 G 3.9374 7.6607 109.2715 43.6387 0.0000 173.2728 204 E 4.0932 8.4579 120.1396 56.0430 30.2705 178.4976 205 V 3.6166 8.6987 122.9242 66.4281 31.4389 178.1947 206 E 4.0008 8.1838 117.4323 59.7475 29.2351 179.0867 207 T 3.8728 7.9933 115.0920 67.1016 68.6800 176.5348 208 F 4.0414 8.4985 119.0797 60.3285 39.0649 177.6450 209 L 4.2591 8.6923 120.3991 57.9272 41.9021 178.7424 210 A 4.1375 8.3087 121.0082 54.6158 18.2046 179.5708 211 R 3.7157 7.6404 117.8363 59.4734 29.8626 178.6017 212 F 4.2427 7.9055 116.1344 59.9177 39.0949 177.5094 213 L 4.2877 7.9301 118.1103 57.0896 41.6705 178.4443 214 T 4.3541 7.9033 108.1784 61.2186 69.7377 176.1545 215 G 3.8740 7.7582 107.9772 45.3425 0.0000 173.0611 216 R 4.5905 7.7052 118.5734 53.0241 32.0510 174.5505 217 P 4.2545 0.0000 0.0000 63.2361 31.6594 175.7961 218 Q 4.4169 8.1639 119.0414 53.2879 31.8930 173.5377 219 P 4.3819 0.0000 0.0000 62.4397 32.0650 175.8998 220 F 4.3856 8.5479 123.0887 58.1432 40.2439 174.9286 221 R 4.5009 7.0018 124.3671 54.1242 33.9429 174.4268 222 A 4.4849 8.5875 125.3222 51.7719 19.3502 176.6303 223 A 4.4616 8.5204 122.7458 51.1070 20.2580 177.0380 224 Q 4.5822 8.8029 118.7235 53.3282 31.3065 175.8782 225 G 3.9663 7.8897 108.6988 45.3662 0.0000 171.8233 226 K 4.3707 8.0046 118.4207 56.4996 33.3130 177.2368 227 A 4.7900 9.6880 126.7786 50.6757 22.0318 175.5378 228 R 4.9703 9.0452 117.0139 54.5275 34.6617 174.9789 229 F 4.9835 9.8016 125.3941 57.2492 41.2867 174.0496 230 H 5.6051 8.5543 123.3711 54.1373 31.7546 173.1135 231 A 5.0777 8.8850 123.6993 51.3403 23.6749 174.3836 232 T 5.0461 8.8622 114.0857 62.1835 72.7403 173.8005 233 E 4.8252 9.3779 126.0420 55.5342 31.6066 175.3686 234 L 5.0354 8.8035 123.0848 52.8348 45.6060 175.4522 235 V 4.3161 8.4393 123.9267 61.0361 33.6940 174.2359 236 F 5.4682 8.4236 126.1341 55.8814 41.4952 174.5110 237 E 4.7286 8.8481 122.3283 55.8012 33.4835 176.2717 238 G 3.7918 9.8647 109.0873 46.2574 0.0000 174.6458 239 G 3.8702 9.0848 106.7737 45.0225 0.0000 173.9711 240 R 4.7227 8.1334 118.4709 53.1255 33.3382 173.1980 241 P 4.9207 0.0000 0.0000 63.0187 31.5934 176.0782 242 V 4.1030 8.8539 124.4852 65.0669 32.3957 175.7755 243 A 4.6463 7.5259 118.5632 51.0684 22.4261 175.0042 244 I 4.9904 8.3124 119.1391 59.4378 41.4524 175.1170 245 S 4.5912 8.9702 124.7756 56.5077 66.8753 171.8634 246 P 4.8185 0.0000 0.0000 62.8730 32.1435 175.3205 247 Y 4.8918 9.5800 124.6704 55.9320 42.1566 174.4352 248 V 5.0089 7.3460 123.7833 61.1178 35.1570 174.0298 249 W 4.9652 9.1757 135.0000 55.9160 33.9951 173.2316 250 E 4.4120 7.8908 126.3911 54.5541 30.8473 175.1210 251 E 3.2443 7.8276 125.3296 54.3937 30.5012 174.6832 252 P 4.2993 0.0000 0.0000 63.0067 31.6559 175.9462 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 2 R 8.11 4.45 0.00 1.81 2.05 0.00 2.95 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 3 V 8.50 4.60 1.89 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 1.04 0.00 0.00 0.90 0.00 0.00 4 L 8.91 4.70 0.00 0.47 0.93 0.64 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 5 F 8.87 4.96 0.00 3.13 2.81 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 6 I 8.52 4.20 1.55 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 0.91 0.17 0.50 0.00 0.00 7 G 8.99 4.53 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 0.00 0.00 0.00 8 D 7.92 4.60 0.00 2.69 2.81 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 9 V 8.53 4.40 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 1.01 0.00 0.00 0.86 0.00 0.00 *11 A 8.29 4.43 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.99 3.99 0.00 2.22 2.04 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 2.43 2.50 0.00 13 P 0.00 4.39 0.00 2.17 2.13 0.00 3.57 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 2.30 2.18 0.00 14 G 8.11 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 0.00 0.00 0.00 0.00 15 L 8.00 3.97 0.00 2.06 1.76 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.62 3.89 0.00 2.01 2.17 0.00 3.36 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 17 A 8.39 4.29 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 0.00 0.00 0.00 0.00 0.00 18 V 8.10 3.91 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 1.03 0.00 0.00 1.02 0.00 0.00 19 G 8.21 3.60 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 0.00 0.00 0.00 0.00 20 L 8.04 4.11 0.00 1.67 1.69 1.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 21 H 7.87 3.70 0.00 1.40 2.38 0.00 5.63 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.33 3.54 0.00 1.82 1.72 0.84 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.15 0.00 1.92 2.01 0.00 3.51 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 24 D 7.80 4.38 0.00 2.44 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 25 I 6.99 4.24 1.77 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.24 0.66 0.00 0.00 26 R 8.07 3.90 0.00 1.98 1.94 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 27 D 8.09 4.34 0.00 2.58 2.66 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 0.00 0.00 0.00 0.00 28 R 7.73 3.96 0.00 0.67 1.18 0.00 2.89 0.00 0.00 3.02 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.52 0.00 29 Y 7.26 4.86 0.00 2.81 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 30 D 8.89 4.75 0.00 2.59 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 31 L 7.80 5.03 0.00 1.60 1.48 0.96 0.88 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 32 V 8.83 4.67 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 0.79 0.00 0.00 0.72 0.00 0.00 33 I 8.74 4.78 1.48 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 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1.69 0.95 0.96 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 0.00 101 E 8.68 5.20 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 102 V 9.21 4.42 2.18 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 0.99 0.00 0.00 1.00 0.00 0.00 103 G 9.96 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 0.00 104 G 8.51 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 0.00 0.00 0.00 0.00 105 E 8.34 4.53 0.00 2.34 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 2.42 2.36 0.00 106 S 8.92 5.36 0.00 3.93 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 0.00 107 L 8.94 5.31 0.00 2.02 1.73 1.25 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 108 L 9.33 4.94 0.00 1.85 1.70 1.15 0.61 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 *119 D 7.78 4.44 0.00 2.73 2.68 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 0.00 120 P 0.00 4.33 0.00 2.17 2.07 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 121 L 7.96 4.92 0.00 1.39 1.64 0.56 0.61 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 0.00 122 D 8.27 4.56 0.00 2.73 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 0.00 123 D 8.70 4.67 0.00 2.79 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 0.00 124 P 0.00 4.44 0.00 2.05 2.32 0.00 4.02 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 125 F 8.37 4.01 0.00 3.20 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 0.00 126 R 8.49 4.38 0.00 1.91 2.03 0.00 3.22 0.00 0.00 3.37 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.86 0.00 127 A 7.86 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 3.95 0.00 1.96 1.74 0.87 0.95 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 0.00 129 D 7.98 4.37 0.00 2.94 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 0.00 130 R 8.05 3.92 0.00 2.06 1.96 0.00 3.14 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 131 L 7.93 3.77 0.00 1.66 1.69 0.66 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.96 4.22 0.00 1.75 1.66 0.85 0.79 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 0.00 133 E 7.56 4.10 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 134 E 7.65 4.16 0.00 2.07 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 2.50 2.28 0.00 135 E 8.01 4.56 0.00 1.74 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0.00 0.00 0.00 0.00 2.37 2.44 0.00 152 K 8.06 4.35 0.00 2.19 2.02 0.00 1.82 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.65 7.81 *154 A 8.11 4.37 1.55 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 0.00 0.00 155 L 8.28 4.02 0.00 1.75 1.58 0.72 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 156 A 7.91 3.98 0.98 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 0.00 157 H 8.11 4.20 0.00 3.22 3.40 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 Y 8.23 4.36 0.00 3.23 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 0.00 159 L 7.66 4.37 0.00 2.12 1.66 0.92 0.77 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 0.00 160 D 7.25 4.44 0.00 2.83 2.54 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 0.00 0.00 0.00 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0.00 195 G 7.77 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 0.00 196 T 8.23 4.69 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 1.23 0.00 0.00 197 Y 8.60 4.14 0.00 2.87 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 0.00 198 H 7.54 4.73 0.00 3.15 3.27 0.00 5.73 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 S 6.77 4.54 0.00 4.04 3.76 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 0.00 200 I 6.95 4.27 1.79 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.53 0.89 0.00 0.00 201 I 9.71 3.16 1.72 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 1.39 0.36 1.00 0.00 0.00 202 G 7.79 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 0.00 203 G 7.66 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 E 8.46 4.09 0.00 1.99 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 2.26 2.34 0.00 205 V 8.70 3.62 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 1.18 0.00 0.00 0.93 0.00 0.00 206 E 8.18 4.00 0.00 2.03 2.01 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 2.41 2.36 0.00 207 T 7.99 3.87 4.52 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 1.20 0.00 0.00 208 F 8.50 4.04 0.00 3.12 3.37 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 0.00 209 L 8.69 4.26 0.00 2.08 1.87 1.00 1.20 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 0.00 210 A 8.31 4.14 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 R 7.64 3.72 0.00 1.52 1.56 0.00 2.85 0.00 0.00 2.90 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.40 0.00 212 F 7.91 4.24 0.00 3.15 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 0.00 213 L 7.93 4.29 0.00 1.78 1.76 0.96 0.72 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 0.00 214 T 7.90 4.35 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 1.25 0.00 0.00 215 G 7.76 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 0.00 0.00 0.00 216 R 7.71 4.59 0.00 1.76 1.82 0.00 3.17 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 217 P 0.00 4.25 0.00 2.13 2.02 0.00 3.67 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 1.96 1.97 0.00 218 Q 8.16 4.42 0.00 1.85 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 219 P 0.00 4.38 0.00 2.04 2.01 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 220 F 8.55 4.39 0.00 3.05 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 0.00 221 R 7.00 4.50 0.00 1.53 1.59 0.00 3.14 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 222 A 8.59 4.48 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 0.00 223 A 8.52 4.46 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 0.00 224 Q 8.80 4.58 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 225 G 7.89 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 0.00 226 K 8.00 4.37 0.00 1.77 1.76 0.00 1.82 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.39 7.81 227 A 9.69 4.79 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 0.00 228 R 9.05 4.97 0.00 1.94 1.73 0.00 2.95 0.00 0.00 2.95 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 229 F 9.80 4.98 0.00 3.49 3.45 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 0.00 230 H 8.55 5.61 0.00 3.15 3.38 0.00 5.67 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 0.00 231 A 8.89 5.08 1.20 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 0.00 0.00 0.00 0.00 0.00 232 T 8.86 5.05 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 1.21 0.00 0.00 233 E 9.38 4.83 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.62 0.00 234 L 8.80 5.04 0.00 0.99 0.59 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 235 V 8.44 4.32 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 1.04 0.00 0.00 0.90 0.00 0.00 236 F 8.42 5.47 0.00 2.09 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 0.00 237 E 8.85 4.73 0.00 2.04 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 2.26 2.28 0.00 238 G 9.86 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 0.00 239 G 9.08 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 0.00 0.00 0.00 240 R 8.13 4.72 0.00 1.90 1.85 0.00 3.32 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 241 P 0.00 4.92 0.00 2.34 2.24 0.00 3.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.98 0.00 242 V 8.85 4.10 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 0.78 0.00 0.00 1.06 0.00 0.00 243 A 7.53 4.65 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 0.00 244 I 8.31 4.99 1.91 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 1.35 0.99 0.95 0.00 0.00 245 S 8.97 4.59 0.00 3.85 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 0.00 246 P 0.00 4.82 0.00 1.97 2.02 0.00 3.65 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 2.10 0.00 247 Y 9.58 4.89 0.00 3.07 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 248 V 7.35 5.01 1.94 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 0.66 0.00 0.00 0.92 0.00 0.00 249 W 9.18 4.97 0.00 3.34 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 0.00 250 E 7.89 4.41 0.00 1.47 1.50 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 2.04 2.06 0.00 251 E 7.83 3.24 0.00 2.01 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 2.33 2.49 0.00 252 P 0.00 4.30 0.00 2.18 1.91 0.00 3.80 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 * Residues marked with a * may have inaccurate shift predictions.