NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2690 8.4449 116.7591 55.8394 31.1689 178.6584 5 N 4.6231 8.7224 121.6958 51.7749 38.5323 171.9813 6 Y 4.3846 9.3845 126.1791 58.0612 38.9882 174.7933 7 N 4.7178 7.9458 124.5272 50.2298 39.3291 172.3861 8 P 4.2478 0.0000 0.0000 60.7512 32.4424 174.8923 9 P 4.3397 0.0000 0.0000 63.6293 31.7264 176.0849 10 Q 4.6348 8.6546 117.1969 55.8548 30.4550 174.9816 11 E 4.5637 7.9479 116.5296 53.7574 31.8922 173.8992 12 P 4.6453 0.0000 0.0000 61.5980 32.4945 176.8371 13 W 4.5024 8.7459 128.9871 59.5454 30.8628 176.6045 14 L 4.4673 7.7987 115.8237 53.1286 45.0757 175.4701 15 V 4.2245 8.2843 123.4294 61.3847 32.8067 174.0259 16 I 4.4782 8.2201 129.2338 60.7803 37.3010 176.1015 17 L 4.4551 8.9722 127.4310 56.4522 42.6650 176.5392 18 Y 4.5767 7.6502 115.5327 57.0930 41.3320 172.7068 19 Q 4.5668 7.0505 121.5532 55.4416 31.3086 173.6506 20 D 4.4460 7.9638 118.0634 53.1604 41.4628 174.6139 21 D 4.5728 8.8416 117.4062 56.5901 41.3662 176.4239 22 H 4.8544 9.4953 116.8373 56.1153 31.5566 173.2179 23 I 4.9877 7.3640 111.5257 58.5022 39.5287 172.9707 *25 V 4.0791 8.1856 117.9757 63.2551 32.7908 175.8164 26 V 4.7434 8.6200 127.0437 61.2245 35.0191 174.0573 27 N 5.0343 8.7698 126.3128 51.8891 38.5548 173.4207 28 K 4.2649 9.1553 128.0515 55.3226 33.1115 174.3162 29 P 4.8814 0.0000 0.0000 61.8575 33.3565 175.5033 30 S 4.3559 8.5062 115.8811 59.8521 62.8600 174.2644 31 G 4.0351 9.0941 115.1618 44.9108 0.0000 172.9368 32 L 4.6865 7.0258 120.4533 52.9067 43.6365 176.0972 33 L 4.2802 8.6869 126.0409 54.8322 42.3746 178.5549 34 S 4.0891 8.7058 118.5245 60.9517 63.1223 174.9416 35 V 4.5470 7.2493 110.5090 58.0748 34.9365 173.4515 36 P 4.3028 0.0000 0.0000 62.7782 31.6713 177.1555 37 G 3.8551 8.9013 112.0873 44.7829 0.0000 173.2991 38 R 3.9972 8.5052 118.5094 59.2610 30.5163 177.4706 39 L 4.1779 7.6220 117.6667 54.1474 42.3276 177.6068 40 E 4.0464 8.7918 122.5718 59.5628 29.5619 178.0893 41 E 4.2607 8.0735 115.8339 58.2760 29.8216 176.6711 42 H 4.8269 8.4771 117.5891 55.3785 29.5391 176.3729 43 K 3.8312 8.2197 120.5962 58.1703 32.8769 177.5790 44 D 4.4243 8.2175 118.3436 54.7365 41.6325 175.2242 45 S 4.5943 8.7302 119.9372 57.8633 66.1231 176.5547 46 V 3.2839 8.3236 116.6592 64.2906 30.4657 177.6376 *48 T 4.3560 7.9058 110.6636 61.3594 70.2651 176.2826 49 R 3.6179 7.7232 121.1562 58.8169 29.7117 179.0853 50 I 3.8714 7.6841 119.6307 64.5279 37.0127 178.4203 51 Q 4.3944 7.3701 114.0407 58.0964 28.4895 177.8755 52 R 4.1369 7.6625 119.1755 59.0301 30.2616 176.9298 53 D 4.6825 8.1977 114.6432 54.8321 42.3444 176.2146 54 Y 4.6912 8.2147 117.4305 54.5158 38.1558 173.8004 55 P 4.3241 0.0000 0.0000 65.6833 31.6405 178.5240 56 Q 4.1601 8.0912 115.1712 56.8479 29.1211 175.9550 57 A 4.4755 7.8313 120.5298 52.5355 19.3044 176.9017 58 E 4.8417 9.0469 118.7284 54.6971 34.4221 175.2802 59 S 4.6957 8.6697 117.5405 58.4630 63.7359 174.2325 60 V 4.3172 8.3622 112.9672 61.7902 33.9576 175.2724 61 H 4.6193 7.6220 112.3363 54.1768 31.0229 172.5891 62 R 4.6069 8.0530 117.9864 54.3311 33.5771 174.9617 63 L 4.9527 8.2200 120.5898 52.8223 45.2133 178.9308 64 D 4.8057 8.1646 121.5469 53.9872 40.0954 179.4973 *66 A 4.3750 8.5400 128.0367 52.9103 20.3976 176.8466 67 T 4.4750 7.7061 111.7161 63.2987 69.5357 174.5021 68 S 4.8730 9.2337 118.8827 57.0024 66.9339 173.5520 69 G 3.4337 8.3549 106.5209 43.7495 0.0000 172.4572 70 V 4.2074 7.7510 121.4986 62.9603 32.0797 176.6165 71 I 4.7789 8.6285 127.8120 59.3810 41.4795 173.7355 72 V 4.5956 8.9529 128.7035 60.1176 33.3284 175.2267 73 V 4.5223 8.1073 122.1719 60.9738 34.9092 174.3846 74 A 4.3413 8.7276 130.0643 51.8034 19.2861 177.9877 75 L 4.5803 8.5090 120.3251 54.8153 43.3668 177.3492 76 T 4.7669 7.3562 108.5682 58.7556 73.2760 174.4281 77 K 3.8827 8.6130 122.4005 59.6000 32.2500 178.9974 78 A 3.9774 7.9738 120.4068 55.0823 18.3984 179.2858 79 A 3.9219 8.2176 119.4690 55.2050 18.4719 179.3770 80 E 3.8962 8.4363 118.0403 59.5339 29.8326 179.3327 81 R 3.9318 8.0438 117.9733 59.2832 30.1597 178.7397 82 E 3.9674 8.3211 119.0940 59.2484 29.6433 178.8338 83 L 4.0750 8.4276 119.5315 57.8278 41.6470 179.6767 84 K 4.1967 8.3420 118.5023 59.2669 31.8580 179.3848 85 R 3.9016 7.9777 118.7608 59.4493 29.9519 178.3780 86 Q 3.9425 8.0680 117.7820 59.3135 28.8032 179.2063 87 F 4.0008 8.2481 118.4943 60.5002 38.6747 177.7722 88 R 4.0229 8.1464 117.8294 59.1093 29.9627 177.4682 89 E 4.3533 8.2832 115.9372 55.2657 29.7321 176.3255 90 R 3.8903 7.6698 116.7326 57.2980 28.4295 177.7388 91 E 4.1015 8.2873 119.3553 58.4496 29.9051 176.3873 92 P 4.4691 0.0000 0.0000 62.5902 32.5464 176.0901 93 K 4.5908 8.6266 121.1785 54.7650 34.5256 175.2449 94 K 5.0133 8.7072 124.1975 54.5948 35.3549 174.9351 95 Q 4.7908 8.5665 124.2282 54.7071 32.4057 173.4086 96 Y 5.3613 9.5195 123.5105 56.1371 42.4112 174.7238 97 V 5.1460 9.0038 119.0202 60.4538 35.0539 174.4173 98 A 5.8894 9.2704 123.2690 51.1380 23.4364 174.9109 99 R 5.0406 8.4567 117.9419 54.5745 33.2292 175.8267 100 V 4.9539 8.7195 116.2823 58.9011 36.0754 174.2932 101 W 4.4645 9.3120 132.6922 58.2422 31.7654 177.4908 102 G 3.4454 7.6829 116.2627 42.6457 0.0000 172.0922 103 H 4.9474 8.2426 115.9446 53.0406 29.8028 172.0907 104 P 4.1665 0.0000 0.0000 62.6259 31.7254 176.4749 105 S 4.6754 8.4358 116.3052 55.7705 65.5016 171.9500 106 P 4.5315 0.0000 0.0000 62.4632 31.8453 177.0695 107 A 4.4915 8.5775 121.0232 53.7694 18.6466 176.9984 108 E 4.6677 7.6102 114.2583 53.8824 33.2107 175.1288 109 G 3.6203 6.2422 110.0479 45.5917 0.0000 170.6812 110 L 5.1842 8.2105 120.1381 53.2301 45.3359 176.6703 111 V 4.2357 9.1210 126.3946 61.4855 33.3925 173.7806 112 D 5.7245 8.7072 128.1615 51.2763 41.7199 173.5723 113 L 4.9222 7.9754 122.2230 51.5700 45.7117 174.2891 114 P 4.6657 0.0000 0.0000 62.8595 32.6993 175.2290 115 L 5.3105 8.6578 122.0950 53.3391 45.5817 175.1680 116 I 4.7690 8.2642 120.0520 59.8083 42.0293 173.5505 117 C 4.6319 8.5929 125.9407 58.9321 32.2412 173.7105 118 D 4.6913 8.6063 127.2482 51.7463 39.5847 176.2851 119 W 4.4881 8.5851 134.0345 59.6691 31.0872 176.3762 120 P 4.1034 0.0000 0.0000 64.8946 31.0797 176.8638 121 N 4.7861 8.1193 115.1675 52.3847 38.9074 174.6574 122 R 4.0675 7.2460 115.0948 56.2277 29.4881 174.3039 123 P 4.4624 0.0000 0.0000 62.8858 31.6921 176.3517 124 K 4.0486 7.5610 119.0575 57.1571 32.9359 175.9059 125 Q 5.2697 9.5574 121.6601 54.3991 33.0626 174.1730 126 K 4.4614 8.7383 118.1438 55.8512 36.3769 175.1625 127 V 4.2027 8.1815 121.2934 63.0484 32.5206 175.3115 128 C 4.3665 8.5859 128.1337 58.8717 33.6751 174.1415 129 Y 4.1479 8.7833 127.7951 61.2659 38.0920 178.2313 130 E 4.2420 8.4182 115.6148 58.3871 29.9814 182.0975 131 T 4.6336 7.6946 105.1833 60.4417 70.1081 174.2106 132 G 3.7839 8.2217 110.4044 46.3837 0.0000 173.6680 133 K 4.5697 9.2000 122.7207 54.5674 33.5570 174.9065 134 P 4.7400 0.0000 0.0000 63.4754 31.8773 175.4516 135 A 4.8258 8.4806 122.8937 50.6226 23.1242 174.7152 136 Q 5.0723 9.0146 119.5115 54.4886 33.1978 174.6325 137 T 5.1515 8.9337 119.1843 61.9280 72.8541 172.5803 138 E 5.1557 9.1424 125.9839 55.0534 31.7314 174.7484 139 Y 5.3998 8.5922 121.5611 55.3868 42.1110 174.3292 140 E 4.8253 8.9215 121.6432 54.9375 33.2098 174.1507 141 V 4.1249 9.3200 129.1279 62.9462 31.8132 176.0474 142 V 4.2822 8.3060 120.5484 60.8860 32.9381 175.4854 143 E 4.4568 7.3425 118.4315 55.6814 33.0106 173.7148 144 Y 4.7640 8.4410 125.3769 56.3552 39.0559 175.1599 145 A 4.3197 8.8723 128.1771 50.9764 19.8530 178.2226 146 A 3.7904 8.5164 123.1416 54.8137 18.6994 178.7112 147 D 4.6410 8.0239 114.3379 53.3232 39.4067 175.5732 148 N 3.7767 7.8962 116.4800 55.4497 37.4801 173.0420 149 T 4.7816 7.4376 104.7765 59.9209 73.2847 172.2690 150 A 4.9807 8.5981 121.3261 50.5679 23.2448 174.9783 151 R 4.8697 8.9213 121.2703 54.8534 31.9841 175.3728 152 V 4.9006 9.3855 126.5576 61.0955 35.3445 173.9805 153 V 4.7661 8.7804 127.0317 61.3886 33.5372 174.3576 154 L 5.3026 9.0256 127.5507 53.0443 45.2987 175.7438 155 K 5.0633 9.6762 123.3270 52.7019 33.8880 172.5206 156 P 4.6343 0.0000 0.0000 62.8843 31.5215 176.5009 157 I 4.0502 8.7161 126.8212 64.4082 37.5046 177.0749 158 T 4.4209 7.8278 109.6817 60.7072 70.7372 173.8826 159 G 4.2914 8.0751 107.3605 44.9411 0.0000 173.1944 160 R 4.1144 7.6969 117.5875 55.1433 31.3378 176.8517 161 S 4.2779 8.5567 115.3611 60.4326 62.8347 173.5347 162 H 4.1845 9.2155 122.4448 56.8708 26.6050 176.3392 163 Q 3.7638 8.0781 121.9639 59.6286 28.4758 178.6710 164 L 3.9177 7.5769 117.6960 57.7243 41.7780 179.2346 165 R 3.9889 7.7154 116.9117 58.9996 30.2667 178.6176 166 V 3.4494 7.5622 117.8965 65.4803 31.4446 178.1357 167 H 4.5588 8.0630 113.9732 56.1612 28.2834 177.0322 *169 L 4.1705 7.9357 124.4496 55.0724 43.5809 178.6022 170 A 3.9840 8.0787 120.3248 55.1274 18.3336 178.5978 171 L 4.0445 7.5472 114.2774 56.3457 41.8296 178.1514 172 G 4.0214 8.8338 107.0621 45.3360 0.0000 173.9332 173 H 5.4352 7.7185 115.3525 51.6343 28.6181 171.3143 174 P 4.5357 0.0000 0.0000 62.4864 33.4624 176.7721 175 I 4.3725 8.2952 122.0897 60.9379 38.4933 175.7617 176 L 4.2836 8.6559 127.0597 56.3531 41.9206 178.5065 177 G 4.0147 8.7350 110.3557 45.7736 0.0000 173.2567 178 D 4.3758 7.7764 119.6800 53.4744 40.2968 176.5604 179 R 3.7969 8.2304 128.0559 59.1061 30.4088 177.8327 180 F 4.5127 7.9143 115.5618 59.5838 39.0903 175.6684 181 Y 4.7186 8.1352 114.3145 57.3051 39.8229 175.7533 182 A 4.3778 8.0040 123.0254 51.0080 19.7277 177.8566 183 S 4.3255 8.0687 115.4405 57.3214 65.3096 173.6874 184 P 4.1161 0.0000 0.0000 65.5764 30.7423 178.4998 185 E 3.7477 7.8039 116.3338 59.3639 29.9176 178.4456 186 A 4.1503 7.2598 120.0937 55.0314 17.8535 179.8406 187 R 3.9128 8.1957 116.9178 58.8361 30.8390 178.3026 188 A 4.1568 7.7373 120.8080 50.8035 15.7578 177.2612 *190 A 4.0587 7.2220 126.0011 51.5740 20.1931 176.4442 191 P 4.2805 0.0000 0.0000 63.8781 31.5373 176.2988 192 R 4.5431 7.3211 114.0043 54.1139 32.4253 174.0695 193 L 4.2940 8.2897 120.9993 55.7023 42.8807 177.9458 194 L 3.6990 8.3882 130.0847 53.1913 39.6574 175.4675 195 L 5.4363 7.5458 121.5246 53.5672 46.3206 175.0490 196 H 5.2507 9.7656 124.9878 54.6741 33.7465 172.1779 197 A 3.3282 9.0205 128.4804 50.7919 18.0797 177.0891 198 E 4.5139 8.4091 121.1310 57.6283 31.1295 175.6225 *200 L 4.5705 7.7386 120.7771 56.0043 43.9549 175.1735 201 T 4.9521 8.6973 122.0528 61.7813 71.9076 173.1769 202 I 4.7970 8.0786 118.1851 59.9229 41.9070 173.0819 203 T 4.8362 8.1455 111.9607 59.6437 70.7014 173.9156 204 H 3.9822 9.1409 125.2746 56.3629 30.1930 174.2591 205 P 4.1428 0.0000 0.0000 64.9049 31.4777 176.9464 206 A 4.3321 7.8447 118.8543 52.6304 19.9459 176.8023 207 Y 4.6496 7.5639 111.5619 57.2877 39.3414 177.5247 208 G 3.9818 8.3759 107.5064 45.4111 0.0000 173.5998 209 N 4.5464 7.5036 117.5847 51.9815 38.2426 175.1349 210 S 4.8000 8.0377 114.4198 57.5457 63.4953 173.1736 *212 T 3.9774 8.0331 117.8064 63.1576 69.1254 173.5532 213 F 5.0452 8.7602 124.7540 55.6648 41.5449 175.0459 214 K 5.0760 8.6650 120.0383 54.9943 36.4460 175.9277 215 A 4.6269 8.7767 124.1395 50.2358 22.4546 174.4305 216 P 4.2051 0.0000 0.0000 62.4148 32.1998 176.4738 217 A 3.3364 7.9644 123.6284 52.2283 18.7137 177.2648 218 D 4.6003 8.0222 118.7009 54.4832 41.6009 177.0355 219 F 4.5559 6.9501 119.5862 56.8480 38.0397 174.7646 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 4 E 8.44 4.27 0.00 2.01 1.12 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 2.13 1.91 0.00 5 N 8.72 4.62 0.00 2.78 2.82 0.00 0.00 6.70 6.57 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 6 Y 9.38 4.38 0.00 2.88 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 7.95 4.72 0.00 2.63 2.61 0.00 0.00 7.20 8.02 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 8 P 0.00 4.25 0.00 1.83 1.75 0.00 3.31 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 0.00 9 P 0.00 4.34 0.00 2.17 2.06 0.00 3.66 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 1.99 0.00 10 Q 8.65 4.63 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.88 0.00 0.00 0.00 0.00 0.00 2.52 2.33 0.00 11 E 7.95 4.56 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 2.23 2.33 0.00 12 P 0.00 4.65 0.00 2.09 2.05 0.00 3.70 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 2.05 2.10 0.00 13 W 8.75 4.50 0.00 3.17 3.33 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 14 L 7.80 4.47 0.00 1.71 1.50 0.82 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.28 4.22 2.24 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 1.10 0.00 0.00 0.95 0.00 0.00 16 I 8.22 4.48 1.87 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 1.30 0.68 0.92 0.00 0.00 17 L 8.97 4.46 0.00 1.55 1.80 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.65 4.58 0.00 2.97 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 19 Q 7.05 4.57 0.00 1.92 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.43 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 20 D 7.96 4.45 0.00 2.89 2.70 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 21 D 8.84 4.57 0.00 2.52 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 22 H 9.50 4.85 0.00 3.08 3.25 0.00 5.56 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.36 4.99 1.87 0.00 0.00 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 1.54 1.78 0.87 0.00 0.00 *25 V 8.19 4.08 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 -0.28 0.00 0.00 26 V 8.62 4.74 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 0.91 0.00 0.00 0.85 0.00 0.00 27 N 8.77 5.03 0.00 2.76 2.74 0.00 0.00 7.11 7.22 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 28 K 9.16 4.26 0.00 1.80 1.64 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.35 7.81 29 P 0.00 4.88 0.00 2.16 2.16 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 30 S 8.51 4.36 0.00 3.92 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 9.09 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 0.00 0.00 0.00 32 L 7.03 4.69 0.00 1.59 1.55 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.69 4.28 0.00 1.83 1.73 0.42 0.49 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 34 S 8.71 4.09 0.00 3.83 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 35 V 7.25 4.55 2.06 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 0.00 0.00 0.00 0.00 0.00 113 L 7.98 4.92 0.00 1.47 1.38 0.90 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.67 0.00 2.18 2.17 0.00 3.34 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.96 0.00 115 L 8.66 5.31 0.00 1.54 1.49 0.74 0.30 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 0.00 116 I 8.26 4.77 1.85 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 1.12 1.45 0.90 0.00 0.00 117 C 8.59 4.63 0.00 3.14 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 0.00 118 D 8.61 4.69 0.00 2.82 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 W 8.59 4.49 0.00 3.38 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.10 0.00 2.06 2.10 0.00 3.88 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.22 0.00 121 N 8.12 4.79 0.00 2.74 2.63 0.00 0.00 6.59 8.28 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 0.00 122 R 7.25 4.07 0.00 1.48 1.39 0.00 2.34 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.14 0.00 123 P 0.00 4.46 0.00 2.09 2.05 0.00 3.37 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.90 0.00 124 K 7.56 4.05 0.00 1.67 1.65 0.00 0.86 0.00 0.00 1.19 0.00 0.00 2.62 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.51 1.10 7.81 125 Q 9.56 5.27 0.00 1.90 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 126 K 8.74 4.46 0.00 1.78 1.89 0.00 1.31 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.37 7.81 127 V 8.18 4.20 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.85 0.00 0.00 128 C 8.59 4.37 0.00 2.96 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 0.00 129 Y 8.78 4.15 0.00 3.04 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 0.00 130 E 8.42 4.24 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.86 0.00 131 T 7.69 4.63 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 0.00 132 G 8.22 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 0.00 133 K 9.20 4.57 0.00 1.68 1.73 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.37 7.81 134 P 0.00 4.74 0.00 2.09 2.09 0.00 3.74 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 0.00 135 A 8.48 4.83 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 0.00 136 Q 9.01 5.07 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 137 T 8.93 5.15 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 1.30 0.00 0.00 138 E 9.14 5.16 0.00 1.95 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 2.24 2.25 0.00 139 Y 8.59 5.40 0.00 3.03 3.02 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 0.00 140 E 8.92 4.83 0.00 2.02 1.80 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 2.19 2.22 0.00 141 V 9.32 4.12 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 -0.20 0.00 0.00 0.85 0.00 0.00 142 V 8.31 4.28 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 0.74 0.00 0.00 0.94 0.00 0.00 143 E 7.34 4.46 0.00 1.96 1.69 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 2.19 2.26 0.00 144 Y 8.44 4.76 0.00 2.90 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.87 4.32 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 0.00 146 A 8.52 3.79 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 0.00 147 D 8.02 4.64 0.00 2.80 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 0.00 148 N 7.90 3.78 0.00 2.68 2.38 0.00 0.00 6.72 7.11 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 0.00 149 T 7.44 4.78 4.35 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 1.25 0.00 0.00 150 A 8.60 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 R 8.92 4.87 0.00 1.88 1.78 0.00 3.07 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 152 V 9.39 4.90 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 1.11 0.00 0.00 0.88 0.00 0.00 153 V 8.78 4.77 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 1.00 0.00 0.00 0.96 0.00 0.00 154 L 9.03 5.30 0.00 1.70 1.57 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 155 K 9.68 5.06 0.00 1.66 1.77 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.24 7.81 156 P 0.00 4.63 0.00 2.26 2.01 0.00 4.14 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.95 0.00 157 I 8.72 4.05 1.90 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 1.45 0.83 0.93 0.00 0.00 158 T 7.83 4.42 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 1.28 0.00 0.00 159 G 8.08 4.29 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 0.00 160 R 7.70 4.11 0.00 1.89 1.82 0.00 3.20 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 161 S 8.56 4.28 0.00 3.80 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 0.00 162 H 9.22 4.18 0.00 3.38 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 Q 8.08 3.76 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.87 6.81 0.00 0.00 0.00 0.00 0.00 2.17 2.09 0.00 164 L 7.58 3.92 0.00 1.48 1.60 0.18 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 165 R 7.72 3.99 0.00 1.77 2.19 0.00 3.30 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 166 V 7.56 3.45 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 0.96 0.00 0.00 0.37 0.00 0.00 167 H 8.06 4.56 0.00 3.26 3.23 0.00 5.72 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *169 L 7.94 4.17 0.00 1.73 1.81 1.00 1.10 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 0.00 170 A 8.08 3.98 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 0.00 171 L 7.55 4.04 0.00 1.59 1.74 0.39 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 172 G 8.83 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 0.00 0.00 0.00 173 H 7.72 5.44 0.00 2.98 3.31 0.00 5.76 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 P 0.00 4.54 0.00 2.16 2.23 0.00 3.90 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 2.15 2.00 0.00 175 I 8.30 4.37 1.89 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 0.99 0.92 0.00 0.00 176 L 8.66 4.28 0.00 1.65 1.59 0.95 0.92 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 0.00 177 G 8.74 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 0.00 0.00 0.00 178 D 7.78 4.38 0.00 2.90 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 0.00 179 R 8.23 3.80 0.00 1.61 1.50 0.00 3.21 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 180 F 7.91 4.51 0.00 2.65 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 0.00 0.00 0.00 181 Y 8.14 4.72 0.00 2.96 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 0.00 182 A 8.00 4.38 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 0.00 183 S 8.07 4.33 0.00 3.85 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 0.00 184 P 0.00 4.12 0.00 2.09 2.08 0.00 3.49 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 2.05 2.08 0.00 185 E 7.80 3.75 0.00 1.69 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 1.97 2.29 0.00 186 A 7.26 4.15 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 R 8.20 3.91 0.00 2.02 1.93 0.00 3.15 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 188 A 7.74 4.16 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 *190 A 7.22 4.06 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 0.00 191 P 0.00 4.28 0.00 2.05 2.10 0.00 3.68 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 2.03 2.06 0.00 192 R 7.32 4.54 0.00 1.75 1.97 0.00 2.83 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 193 L 8.29 4.29 0.00 1.53 1.77 0.91 0.98 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 0.00 194 L 8.39 3.70 0.00 1.23 0.38 0.69 -0.06 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 0.00 195 L 7.55 5.44 0.00 1.77 1.55 1.05 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 196 H 9.77 5.25 0.00 3.37 3.07 0.00 5.82 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 0.00 197 A 9.02 3.33 0.79 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 0.00 198 E 8.41 4.51 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 *200 L 7.74 4.57 0.00 1.91 1.71 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 201 T 8.70 4.95 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 1.11 0.00 0.00 202 I 8.08 4.80 1.98 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.89 0.84 0.00 0.00 203 T 8.15 4.84 4.39 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 1.17 0.00 0.00 204 H 9.14 3.98 0.00 3.33 3.44 0.00 5.60 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 P 0.00 4.14 0.00 2.00 2.08 0.00 3.34 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 206 A 7.84 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 Y 7.56 4.65 0.00 3.12 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 0.00 208 G 8.38 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 0.00 209 N 7.50 4.55 0.00 2.71 2.96 0.00 0.00 6.58 7.52 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 0.00 210 S 8.04 4.80 0.00 3.80 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 *212 T 8.03 3.98 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 1.11 0.00 0.00 213 F 8.76 5.05 0.00 2.85 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 0.00 214 K 8.67 5.08 0.00 1.59 1.65 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.39 7.81 215 A 8.78 4.63 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 0.00 216 P 0.00 4.21 0.00 2.11 2.02 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 217 A 7.96 3.34 0.42 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 0.00 218 D 8.02 4.60 0.00 2.70 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 0.00 219 F 6.95 4.56 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 * Residues marked with a * may have inaccurate shift predictions.