NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.3659 8.4293 116.7532 55.4210 31.2284 175.4763 7 P 4.3172 0.0000 0.0000 61.6748 32.2037 174.2193 8 R 4.0778 8.5546 121.3314 55.6986 30.8373 176.9293 9 L 4.8060 8.5253 125.4864 54.3909 43.1617 176.5265 10 S 4.6281 8.0634 112.4291 57.4087 66.0807 174.1031 11 R 4.7351 8.7301 122.9693 56.1758 30.7246 175.8577 12 I 4.6328 8.1633 117.1010 58.4847 41.5213 174.7033 13 A 4.3105 8.3457 125.5799 51.7552 18.8780 177.8970 14 I 3.5710 8.9732 126.4272 64.9130 37.3012 177.8651 15 D 4.4718 7.9832 114.4546 54.5819 38.8581 176.4777 16 K 4.3966 8.0210 118.0881 56.3563 32.3680 175.6247 17 L 4.4969 7.8940 120.5099 53.9149 42.7835 176.5134 18 R 4.2733 8.4972 123.6693 54.5367 31.3556 174.8825 19 P 4.9387 0.0000 0.0000 63.4179 32.5160 176.3346 20 T 5.1781 8.7968 112.1076 63.7857 72.2012 173.2803 21 Q 5.6309 8.0521 118.5834 55.2674 31.7943 173.9990 22 I 4.5514 8.6407 117.2291 61.5238 39.9772 175.7751 23 A 5.4270 8.1068 121.2321 50.3963 22.3069 175.4469 24 V 4.6996 9.2636 112.7256 59.4190 37.1617 175.5669 25 G 4.6138 8.8021 110.1888 44.4018 0.0000 174.7242 26 F 4.0246 10.7420 128.0474 60.0788 38.4479 177.9986 27 R 4.0109 8.0802 117.4711 58.8013 29.5119 178.2145 28 E 3.9940 8.0862 118.8153 58.7635 29.7125 178.7445 29 V 3.5875 8.1373 118.9350 65.9576 31.5754 177.7393 30 E 3.9644 8.0560 118.0646 59.4482 29.2806 179.4750 31 L 3.9739 7.6355 118.4006 57.7266 41.6805 179.6653 32 K 4.0200 7.8425 117.7528 59.6291 31.6630 179.2090 33 R 3.9190 7.9688 118.0742 59.5749 30.0295 178.5768 34 K 3.9875 8.0905 118.6902 59.5791 32.0800 178.2562 35 E 3.8912 8.3800 118.4541 59.2836 29.6519 178.3079 36 W 4.3036 8.5240 127.4451 60.4999 30.8689 177.2475 37 R 3.9645 9.1387 119.4104 59.6569 29.1197 177.4037 38 E 4.5240 7.8626 115.9099 55.7597 30.5950 175.7647 39 T 4.3441 7.6951 114.9958 60.8599 69.2829 176.0426 *49 G 3.9182 8.6287 107.2064 45.3871 0.0000 170.4019 50 N 5.1284 8.5888 117.0219 53.2288 38.9987 177.4401 51 H 4.9046 9.0813 123.8411 55.1413 33.1521 171.6699 52 I 5.4537 8.6436 122.7779 59.0961 40.2852 175.3155 53 V 4.5828 7.8520 122.3269 59.8814 34.6527 171.9221 54 P 5.0498 0.0000 0.0000 62.8386 33.2389 175.0105 55 V 4.9645 8.5951 120.1662 61.7967 35.7466 172.8960 56 V 4.7837 8.9856 126.3346 60.8709 34.1783 174.3843 57 A 4.5669 9.2503 130.7856 52.0854 19.4457 177.1293 58 G 4.1621 9.5892 112.3948 43.7026 0.0000 170.9303 59 P 4.3594 0.0000 0.0000 61.9252 32.5179 179.5015 60 K 3.6651 8.7173 121.0485 58.2305 31.5504 177.8828 61 D 4.8776 8.4745 119.2686 53.8011 40.9839 174.7055 62 R 4.6187 8.0120 119.3309 54.5309 33.2143 176.9409 63 A 5.2763 8.3220 124.6249 50.9766 21.0997 175.2529 64 Y 4.9084 9.2865 121.1355 56.0423 40.4637 175.0257 65 L 4.4501 8.7422 127.0424 55.4851 42.4527 175.8486 66 I 4.2897 8.9278 127.8821 63.2655 37.1808 177.2938 67 D 4.8124 7.7251 123.3604 55.0235 43.1684 176.4651 68 H 4.8096 8.7634 114.8051 58.6870 26.1687 176.5400 69 H 4.3835 7.9807 117.9642 58.4744 28.4928 176.9602 70 H 4.0897 8.2024 118.2965 58.6962 28.7419 177.0846 71 L 3.8558 7.9151 121.4383 58.1746 41.8993 179.0978 72 V 3.3819 7.6355 117.9529 65.8780 31.5433 177.5036 73 L 3.8000 7.7569 119.8117 58.0932 41.8204 178.5651 74 A 3.8997 7.9853 120.5588 55.4490 18.2290 179.5911 75 L 3.5463 8.0783 117.4966 57.6844 41.4622 179.8433 76 S 4.1116 8.1732 113.2537 61.3091 62.1774 176.1732 77 K 3.9295 7.6943 119.5301 59.7566 31.7984 178.3406 78 E 4.0572 7.9214 114.6736 57.1652 29.1877 177.7340 79 G 3.8742 8.8336 108.0366 45.8733 0.0000 173.9160 80 V 3.8185 7.8937 120.2192 62.3272 31.9660 175.8833 81 E 4.2937 8.8002 124.1866 57.1625 30.6243 174.9259 82 H 5.5126 7.8309 114.9286 54.0987 32.7068 173.2704 83 V 4.5038 8.1381 117.1940 60.5245 35.0296 173.6135 84 L 4.4219 8.5636 123.5502 54.9635 42.8810 176.0429 85 T 5.0683 8.7384 112.0287 59.9311 72.4411 172.4675 86 S 4.7247 8.9944 118.6657 56.6126 64.9553 172.4847 87 E 4.6930 8.8151 128.7880 55.4038 28.8284 175.6357 88 V 4.0869 9.1280 121.2042 62.8556 32.7014 176.4728 89 A 4.3924 7.6159 120.6455 50.3631 22.6737 175.4888 90 K 4.4687 8.2981 121.6763 55.0802 32.8097 175.4621 91 F 5.1832 8.6034 124.6936 57.1441 39.2641 178.1519 92 S 4.2629 8.5215 116.3272 60.1302 62.5130 174.6137 93 H 4.6611 8.2370 114.7971 55.5943 28.9367 174.8767 94 L 4.4349 7.6892 120.7565 53.5749 43.1286 177.2646 95 G 3.9622 8.1219 107.7161 43.7650 0.0000 174.9992 96 K 4.0251 8.4128 118.4539 59.5460 32.3033 178.8742 97 D 4.4818 8.2469 117.8131 57.6698 40.9896 178.0138 98 E 3.9008 8.1515 119.0498 58.9744 29.5341 177.8606 99 F 3.8885 8.1305 120.1085 61.4704 39.3965 177.0771 100 W 3.8365 7.8847 116.6371 59.4091 29.0829 177.9505 101 S 4.2772 7.9986 112.9478 61.5196 61.6733 176.7849 102 V 3.7657 7.5482 118.6424 63.4512 31.0640 177.1349 *104 D 4.5218 8.0490 116.3630 54.0146 42.7793 176.8599 105 H 3.8771 8.2982 115.6406 58.6828 28.8288 176.4669 106 R 4.4016 8.0316 115.1754 55.1046 30.5189 175.7289 107 N 4.2845 7.7994 114.7154 54.8452 36.5057 174.5761 108 L 4.8705 8.0224 112.8287 54.3273 42.5839 176.6749 109 I 5.1051 7.5667 111.1294 59.6081 40.7900 175.0353 110 Y 4.3840 8.4486 122.1872 55.7125 39.6910 173.0378 111 P 4.6569 0.0000 0.0000 60.9092 30.8120 176.1246 112 F 4.7408 6.9478 116.5479 55.9166 41.5886 176.9634 113 D 4.6447 8.2793 125.6675 52.8366 40.7876 176.3086 114 A 4.3504 8.1397 121.1622 54.3322 18.5221 178.4487 115 Q 4.5110 8.9371 113.1108 55.7745 28.8332 176.5357 116 G 4.0019 8.4470 106.0472 45.3059 0.0000 173.2990 117 L 4.5443 7.9187 120.4020 53.0652 43.2199 176.0933 118 R 3.3533 8.6312 125.0945 56.3784 30.4470 175.6362 119 R 4.6346 8.1790 124.4603 53.9347 34.4199 175.2112 120 Q 4.0496 8.2602 119.1429 55.7777 29.5936 178.0565 121 S 3.7111 8.2430 115.3677 61.1705 63.0402 177.0187 122 G 3.6704 7.8738 108.4956 48.7012 0.0000 174.2844 123 D 4.3491 7.6056 118.5136 56.2329 41.0744 176.9056 124 I 3.6470 7.1050 120.2580 60.5778 37.6049 174.0525 125 P 4.2822 0.0000 0.0000 63.2549 31.1476 177.2137 126 K 4.2816 8.7325 121.4812 57.7836 32.5321 176.3832 127 N 4.9903 7.8432 117.4618 51.5954 41.9891 174.6868 128 I 3.6997 8.5726 126.9023 64.8441 37.3154 176.9638 129 H 4.6788 8.1782 113.7331 56.3437 28.8951 175.5384 130 D 4.9073 7.8671 120.4355 55.4168 42.8490 176.9994 131 L 4.0959 7.3739 116.6805 54.4266 42.1383 176.8807 132 E 4.3951 9.3505 123.2712 55.7139 31.2907 175.4480 133 D 4.9725 8.1226 122.5706 54.3909 42.1261 174.9861 134 D 4.9776 10.0102 128.5289 52.1548 42.1559 174.8449 135 P 4.3185 0.0000 0.0000 66.2309 31.1178 178.3325 136 F 4.2334 8.9757 117.7692 60.0439 38.6719 177.5128 137 R 3.8045 8.5890 118.0926 59.6512 29.4039 178.5909 138 S 4.2076 8.1611 114.8768 61.3301 62.7196 176.4599 139 L 4.0424 8.4799 123.3337 58.0555 41.9061 178.9018 140 A 4.1805 8.5084 121.0857 55.2908 18.1774 179.2754 141 G 3.7400 7.5411 102.5746 48.3795 0.0000 174.8292 142 A 4.1448 7.5146 121.6393 54.7320 18.5507 179.1540 143 L 3.9555 7.9960 118.5620 57.8613 42.6108 178.2556 144 R 3.6628 7.5525 118.6077 56.1133 29.7183 177.3414 *146 A 4.1591 7.9872 120.4821 50.9508 20.6918 177.4605 147 G 3.6449 8.4142 103.7866 46.2517 0.0000 175.1147 148 G 3.6053 7.2523 109.9043 46.7480 0.0000 173.5095 149 Y 4.8000 6.4864 115.4480 56.0553 41.2868 173.5870 150 A 4.5804 9.4239 121.8219 50.1783 20.7964 176.9420 151 K 4.0581 8.5923 120.2867 57.3237 32.8211 176.6363 152 V 4.4792 8.3198 122.8445 61.0667 34.6126 174.2305 153 I 3.7682 8.7918 120.8891 63.9920 37.2346 176.6260 154 I 3.6183 7.8936 119.9647 61.0039 37.2561 173.9195 155 P 4.0815 0.0000 0.0000 63.2584 32.3301 175.7796 156 F 3.9449 7.7774 116.7256 58.5520 36.8264 177.8628 157 S 4.2734 7.9635 116.0738 61.4018 62.5859 174.4011 158 E 4.1493 8.2812 120.9608 59.6687 29.2721 179.2639 159 F 4.4614 8.3227 117.1505 60.2460 39.0787 177.5462 160 G 3.6137 8.1434 105.5865 47.5288 0.0000 175.5215 161 W 4.2511 8.3894 121.7064 59.3092 29.0323 178.6259 162 A 4.3388 8.6983 120.9378 55.2818 17.6848 179.1978 163 D 4.3243 8.5392 116.7501 57.0652 41.0114 178.3680 164 F 4.1916 7.8726 120.4085 61.3027 39.4293 177.0864 165 L 4.1013 8.7236 119.1797 57.2808 41.2766 179.6503 166 R 2.5389 7.5619 116.4996 58.8157 29.1158 178.7055 167 R 4.0697 7.3001 116.3249 57.2463 30.1190 177.1401 168 R 4.5554 7.3372 115.3918 55.3728 32.1240 174.9957 169 I 4.7305 7.2033 117.5109 58.3909 40.7226 175.0308 170 D 4.5646 8.5063 121.9938 54.2756 43.0289 177.5470 171 R 4.2362 8.7377 125.6887 59.3958 29.8851 178.4739 172 D 4.4325 7.8169 119.8303 56.7811 40.6585 178.2512 173 L 3.8601 7.1253 116.0676 58.1266 42.0300 178.6913 174 L 4.0824 7.4736 119.9405 58.0213 41.7768 178.8188 175 S 4.2599 8.1253 113.9610 59.9437 62.4454 174.7050 176 D 4.7561 7.9902 118.8141 54.9056 42.6134 178.2379 177 S 4.4798 8.6069 123.5265 59.1072 61.7228 174.6107 178 F 4.3849 8.5189 127.6381 60.6377 39.9346 176.7743 179 D 4.4919 8.0601 119.5769 56.2989 41.5711 178.4085 180 D 4.2238 8.2288 119.0208 57.2622 40.9218 177.8777 181 A 3.8672 7.3821 119.9242 55.5195 18.0419 179.5509 182 L 3.8579 7.2707 116.4546 57.6266 42.0950 178.7096 183 A 4.1736 7.5408 120.2474 54.7701 19.0092 178.6597 184 E 4.1232 8.8575 117.6695 59.7443 29.5157 180.0649 185 A 4.0809 8.2368 118.0727 52.7446 17.8033 179.2753 *187 K 4.2633 7.9862 121.8861 58.0769 34.3686 178.5823 188 L 4.3034 8.3037 117.8024 57.1908 41.7852 179.2393 189 A 4.5414 8.6123 121.1849 55.0199 18.3077 178.3033 190 K 4.2385 7.7595 111.8975 56.7010 32.4308 176.9640 191 S 4.7999 8.8033 115.1205 57.8454 64.6435 177.1214 192 R 3.6869 8.0661 122.1820 59.3651 30.3967 178.4751 193 E 4.0214 8.4048 114.8505 58.6039 29.8043 177.5419 194 A 3.8863 8.6530 120.4273 51.0681 19.8232 178.0720 195 R 2.0000 6.9780 113.4897 58.1225 29.0243 177.3970 196 H 4.2333 7.3715 111.6533 56.0310 29.1821 175.2091 197 L 3.9575 6.4120 120.5627 52.5753 42.1278 174.6588 198 P 4.3621 0.0000 0.0000 64.0114 32.0112 177.7364 199 G 4.4401 9.0392 107.5825 45.8397 0.0000 172.9993 200 W 4.6674 7.9725 129.1395 58.2330 30.9649 174.7522 201 C 4.4270 8.4838 122.9892 56.9007 29.7751 173.4623 202 G 3.4147 6.9954 112.6940 45.2164 0.0000 172.4549 203 V 4.0619 7.7244 119.2057 62.8378 33.4055 175.4283 204 E 4.3204 8.5466 119.0082 57.1115 29.3111 175.7333 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 6 E 8.43 4.37 0.00 2.01 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 0.00 2.13 1.88 0.00 7 P 0.00 4.32 0.00 2.24 2.19 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 8 R 8.55 4.08 0.00 1.79 1.89 0.00 3.23 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 9 L 8.53 4.81 0.00 1.57 1.58 0.92 0.92 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 10 S 8.06 4.63 0.00 3.84 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 0.00 11 R 8.73 4.74 0.00 1.72 1.94 0.00 3.23 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 12 I 8.16 4.63 1.85 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 1.12 0.97 0.90 0.00 0.00 13 A 8.35 4.31 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.97 3.57 1.78 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.57 0.82 0.00 0.00 15 D 7.98 4.47 0.00 2.69 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 16 K 8.02 4.40 0.00 1.83 1.79 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.48 7.81 17 L 7.89 4.50 0.00 1.52 1.54 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.50 4.27 0.00 0.73 1.67 0.00 3.32 0.00 0.00 3.04 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.92 0.00 19 P 0.00 4.94 0.00 2.22 2.19 0.00 3.84 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 2.16 2.24 0.00 20 T 8.80 5.18 4.75 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 1.64 0.00 0.00 21 Q 8.05 5.63 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.88 0.00 0.00 0.00 0.00 0.00 2.00 2.20 0.00 22 I 8.64 4.55 2.03 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 1.26 0.54 0.97 0.00 0.00 23 A 8.11 5.43 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 0.00 0.00 0.00 0.00 0.00 0.00 24 V 9.26 4.70 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 0.84 0.00 0.00 1.09 0.00 0.00 25 G 8.80 4.61 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 0.00 0.00 0.00 26 F 10.74 4.02 0.00 3.35 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 27 R 8.08 4.01 0.00 1.78 1.78 0.00 3.02 0.00 0.00 2.68 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.45 0.00 28 E 8.09 3.99 0.00 2.05 2.17 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 2.15 2.30 0.00 29 V 8.14 3.59 2.15 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 0.81 0.00 0.00 0.92 0.00 0.00 30 E 8.06 3.96 0.00 2.26 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 0.00 2.61 2.50 0.00 31 L 7.64 3.97 0.00 1.69 1.71 0.91 0.78 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 32 K 7.84 4.02 0.00 1.92 1.86 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.63 7.81 33 R 7.97 3.92 0.00 2.09 2.11 0.00 3.62 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.82 0.00 34 K 8.09 3.99 0.00 1.85 2.06 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.48 7.81 35 E 8.38 3.89 0.00 1.99 2.16 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 2.44 2.38 0.00 36 W 8.52 4.30 0.00 3.39 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 37 R 9.14 3.96 0.00 2.07 2.08 0.00 3.21 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 38 E 7.86 4.52 0.00 2.14 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 39 T 7.70 4.34 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 1.17 0.00 0.00 *49 G 8.63 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 50 N 8.59 5.13 0.00 2.70 2.05 0.00 0.00 6.74 8.16 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 51 H 9.08 4.90 0.00 2.96 3.03 0.00 5.77 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.64 5.45 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 1.01 1.77 0.95 0.00 0.00 53 V 7.85 4.58 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 0.89 0.00 0.00 0.88 0.00 0.00 54 P 0.00 5.05 0.00 2.19 2.25 0.00 3.80 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 2.24 2.06 0.00 55 V 8.60 4.96 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.96 0.00 0.00 89 A 7.62 4.39 0.71 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 0.00 0.00 90 K 8.30 4.47 0.00 1.61 1.69 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.52 7.81 91 F 8.60 5.18 0.00 3.37 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 92 S 8.52 4.26 0.00 3.98 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 93 H 8.24 4.66 0.00 3.32 3.46 0.00 5.51 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.69 4.43 0.00 1.71 1.60 0.73 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.12 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 0.00 0.00 0.00 96 K 8.41 4.03 0.00 1.93 2.10 0.00 1.79 0.00 0.00 1.90 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 131 L 7.37 4.10 0.00 1.92 1.86 1.09 1.10 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 0.00 132 E 9.35 4.40 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 133 D 8.12 4.97 0.00 1.58 2.25 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 0.00 134 D 10.01 4.98 0.00 2.90 2.86 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 0.00 135 P 0.00 4.32 0.00 1.97 2.26 0.00 3.94 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.12 0.00 136 F 8.98 4.23 0.00 3.44 3.44 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 0.00 137 R 8.59 3.80 0.00 1.86 2.27 0.00 2.86 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 138 S 8.16 4.21 0.00 4.17 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 0.00 139 L 8.48 4.04 0.00 1.62 1.88 0.44 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.51 4.18 1.54 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 0.00 0.00 0.00 141 G 7.54 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.51 4.14 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 0.00 143 L 8.00 3.96 0.00 1.83 1.85 0.75 0.87 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 0.00 144 R 7.55 3.66 0.00 0.67 1.22 0.00 2.97 0.00 0.00 2.87 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.18 0.00 *146 A 7.99 4.16 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 0.00 147 G 8.41 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 148 G 7.25 3.61 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 0.00 0.00 0.00 149 Y 6.49 4.80 0.00 2.97 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 0.00 150 A 9.42 4.58 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 0.00 151 K 8.59 4.06 0.00 1.64 1.82 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.40 7.81 152 V 8.32 4.48 2.35 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 0.89 0.00 0.00 1.02 0.00 0.00 153 I 8.79 3.77 1.89 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 1.44 0.73 0.93 0.00 0.00 154 I 7.89 3.62 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.44 0.97 0.00 0.00 155 P 0.00 4.08 0.00 2.05 1.58 0.00 3.87 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 2.06 2.06 0.00 156 F 7.78 3.94 0.00 3.24 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 0.00 157 S 7.96 4.27 0.00 4.13 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 0.00 158 E 8.28 4.15 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 159 F 8.32 4.46 0.00 3.09 3.06 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 0.00 160 G 8.14 3.61 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 0.00 0.00 0.00 161 W 8.39 4.25 0.00 3.52 3.36 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 0.00 162 A 8.70 4.34 1.60 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 0.00 163 D 8.54 4.32 0.00 3.00 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 0.00 164 F 7.87 4.19 0.00 2.94 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.72 4.10 0.00 2.03 1.96 1.20 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 166 R 7.56 2.54 0.00 0.85 1.10 0.00 2.74 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.39 0.00 167 R 7.30 4.07 0.00 1.60 1.91 0.00 3.20 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.89 0.00 168 R 7.34 4.56 0.00 1.46 1.69 0.00 2.43 0.00 0.00 3.06 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.29 0.00 169 I 7.20 4.73 2.23 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.59 1.02 0.00 0.00 170 D 8.51 4.56 0.00 2.78 2.57 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 0.00 171 R 8.74 4.24 0.00 2.14 2.03 0.00 3.45 0.00 0.00 3.40 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.92 0.00 172 D 7.82 4.43 0.00 2.99 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 0.00 173 L 7.13 3.86 0.00 1.67 1.73 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 174 L 7.47 4.08 0.00 1.42 1.71 0.23 0.85 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 0.00 175 S 8.13 4.26 0.00 4.11 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 0.00 176 D 7.99 4.76 0.00 2.62 2.49 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 0.00 177 S 8.61 4.48 0.00 3.90 4.08 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 0.00 178 F 8.52 4.38 0.00 3.08 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 D 8.06 4.49 0.00 2.78 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 0.00 180 D 8.23 4.22 0.00 2.75 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 0.00 181 A 7.38 3.87 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 182 L 7.27 3.86 0.00 1.55 1.79 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 183 A 7.54 4.17 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 0.00 184 E 8.86 4.12 0.00 2.22 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 2.35 2.51 0.00 185 A 8.24 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 *187 K 7.99 4.26 0.00 2.15 1.97 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.50 7.81 188 L 8.30 4.30 0.00 2.17 2.23 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 189 A 8.61 4.54 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.76 4.24 0.00 1.84 1.85 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.48 7.81 191 S 8.80 4.80 0.00 4.15 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 0.00 192 R 8.07 3.69 0.00 1.98 2.05 0.00 3.31 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 193 E 8.40 4.02 0.00 2.18 2.36 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 2.41 2.37 0.00 194 A 8.65 3.89 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 0.00 195 R 6.98 2.00 0.00 0.67 0.93 0.00 2.75 0.00 0.00 3.04 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.18 0.00 196 H 7.37 4.23 0.00 3.06 3.25 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 L 6.41 3.96 0.00 0.27 0.15 -1.29 0.28 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 0.00 198 P 0.00 4.36 0.00 2.35 2.22 0.00 3.28 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.98 0.00 199 G 9.04 4.44 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 0.00 200 W 7.97 4.67 0.00 3.44 3.23 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 0.00 201 C 8.48 4.43 0.00 2.67 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 0.00 202 G 7.00 3.41 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 0.00 203 V 7.72 4.06 2.13 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 0.81 0.00 0.00 0.94 0.00 0.00 204 E 8.55 4.32 0.00 1.96 1.77 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 2.24 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.