NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.3182 8.0976 117.2503 56.2914 31.7574 177.6118 7 F 4.3456 7.7804 115.1487 58.6550 37.7422 176.0149 8 T 3.9438 6.7671 115.6751 66.4456 68.8113 177.1540 9 E 4.0520 7.9518 119.7284 58.4647 30.0605 177.1433 10 N 4.6813 7.9817 115.1862 53.4858 39.2043 176.0366 11 F 4.1534 8.0130 122.1603 62.3335 39.5934 176.0751 12 E 3.8184 8.4871 118.1846 59.7416 29.3008 178.8502 13 R 3.9442 7.8670 117.3682 58.9470 30.2794 177.9795 14 A 3.7584 7.9279 120.8065 54.6751 18.1870 179.5358 15 K 2.7351 7.4135 118.4744 58.8690 31.8966 179.3133 16 K 3.8225 6.9498 116.7156 59.4890 32.0740 178.7945 17 E 3.9917 7.7727 117.1972 59.2510 29.6321 179.0636 18 A 4.1349 7.5821 120.7312 54.8756 18.3560 180.8424 19 L 4.2131 7.9555 116.8442 55.0938 41.6187 179.7037 *21 S 4.3323 8.0583 116.4737 58.6266 65.1077 176.0292 22 L 3.9313 8.3960 121.7904 58.1142 41.8014 178.5133 23 E 3.9162 8.3997 119.3579 59.4228 29.5835 178.7906 24 I 3.6271 7.7275 118.8281 64.5206 37.3286 177.8408 25 A 4.1509 8.3906 121.8461 55.5580 18.0374 179.8087 26 L 3.9599 8.0650 117.4426 57.9143 41.5706 179.8571 27 R 4.0397 7.7310 114.1942 58.4832 29.5304 177.9752 28 K 4.3521 8.0041 117.0491 55.2202 32.5593 176.4905 29 G 3.9105 7.7269 107.2928 46.8243 0.0000 174.8660 30 E 4.2150 8.5907 120.3273 56.6541 30.3391 177.0942 31 V 3.9339 7.4474 118.5263 61.0343 32.8354 174.4181 32 D 4.2284 8.6153 126.6445 54.5633 40.4135 177.1698 33 E 4.0991 8.8038 122.9971 58.1012 29.7719 177.9231 34 D 4.4853 8.2942 119.4337 57.3307 41.5389 177.9378 35 I 4.4680 7.5318 111.6131 60.9845 38.3463 177.6798 36 I 3.7126 7.6729 123.8071 64.8733 36.9601 176.2282 37 P 4.2556 0.0000 0.0000 65.3003 31.2000 178.4268 38 L 3.9826 7.8613 118.9087 58.0757 42.1017 178.9212 39 L 4.0112 8.0137 119.0088 57.6611 41.3400 179.6211 40 K 3.9907 8.0497 117.5976 59.2218 32.3740 178.8934 41 K 4.0744 8.4325 120.3157 59.6331 32.0964 178.8093 42 I 3.7447 7.8529 119.8693 64.6287 36.8863 178.2524 43 N 4.5842 8.0163 115.6018 55.7771 38.3832 177.1292 44 S 4.3660 7.7337 114.3773 59.4660 63.6962 174.4316 45 I 4.1246 7.5488 125.0794 60.3914 37.8283 175.8323 46 E 3.9602 9.1724 126.8801 59.7430 29.4812 177.4982 47 N 4.2049 7.8785 113.0744 53.5162 38.6896 173.6342 48 Y 5.8207 7.5991 115.4361 56.6073 42.1372 174.5672 49 F 5.4009 8.7214 114.3157 56.3366 41.5282 173.1854 50 T 5.1683 8.9584 110.9152 60.4833 71.1029 173.1464 51 T 4.8681 8.2444 112.3270 59.9530 72.6839 173.2333 52 S 3.8690 8.1454 115.6454 58.2330 62.5366 174.3254 53 S 4.7471 8.2307 120.4928 57.4497 67.2239 172.6136 54 C 4.8874 8.6867 115.1601 57.1716 32.2336 174.3775 55 S 4.3120 8.5711 115.3544 58.1781 62.6773 175.1270 56 G 3.9795 9.4476 107.4230 46.2894 0.0000 172.8825 57 R 4.9888 8.7954 116.1974 54.7901 33.4359 173.6314 58 I 4.9409 9.1431 122.0066 60.0052 39.7453 174.9716 59 S 5.1897 9.2041 121.5862 56.9615 67.7677 173.0771 60 V 5.1643 9.1039 123.0535 60.1933 34.4973 174.4184 *62 E 5.3265 8.4422 123.6208 56.3717 30.9069 174.6092 *64 P 4.3435 0.0000 0.0000 62.5774 33.4744 176.8759 65 H 5.6175 7.5604 111.7478 53.3705 32.8386 172.4360 66 F 3.6720 8.9810 123.7769 59.8706 39.3816 175.8773 67 G 3.3528 7.2960 114.5751 45.4202 0.0000 173.9215 68 D 4.5072 7.3730 120.7777 52.8242 39.6905 176.5854 69 K 3.9053 7.9602 123.8039 58.6175 32.7709 179.6186 70 V 3.5057 7.8014 117.4881 65.2790 31.3541 176.0026 71 N 4.7918 7.4374 112.1146 52.4970 39.3641 174.4594 72 A 4.2771 7.2661 121.3910 51.6921 19.1044 177.2992 73 K 4.3619 8.5882 122.5685 54.1590 35.1690 175.7439 74 W 4.4299 8.8068 127.2002 56.7214 29.1934 175.9491 75 L 4.6014 8.8906 124.2329 55.5398 43.4654 177.3701 76 G 3.6916 7.6479 104.9003 44.6637 0.0000 172.2645 77 K 4.6543 6.9736 125.3092 54.3952 35.2300 175.2068 78 W 5.3271 9.4280 126.6726 54.6640 33.9557 175.2044 79 H 5.3288 8.7750 117.1708 53.5393 28.5216 173.4406 80 R 4.6373 7.7163 113.8760 55.9708 32.0799 174.0155 81 E 4.1426 8.6469 118.0863 56.8110 29.8563 177.1799 82 V 4.2864 8.4791 115.9833 59.4650 34.6368 175.9729 83 S 4.6607 8.0719 116.4918 57.0002 65.9816 175.1617 84 L 3.9092 8.2492 124.0827 58.2305 41.8295 178.5181 85 Y 4.0101 7.9971 119.1311 60.7383 38.7818 177.7483 86 E 3.9638 8.1506 119.2810 59.4704 29.5326 179.4686 87 V 3.7720 7.3034 117.4635 66.2378 31.6078 177.8489 88 L 3.9451 8.1737 118.9198 58.0529 41.2201 179.4847 89 E 3.8617 7.9442 117.1368 59.2308 29.6127 179.0187 90 A 4.2114 8.2552 120.9035 55.1209 18.4328 179.6032 91 I 3.6777 8.0766 118.5507 64.6187 37.0771 178.6306 92 K 4.0467 7.9677 117.0956 58.4082 31.9402 178.2786 93 K 4.3412 7.6238 117.4319 55.5757 32.6350 176.3181 94 H 4.5146 7.9993 121.1417 56.5720 30.3028 173.4414 95 R 4.3223 8.6472 123.6247 57.1025 32.1135 175.6017 96 S 4.5674 7.2493 108.4316 56.8361 66.6823 174.2752 97 G 3.9064 8.2762 108.2471 45.1284 0.0000 171.6702 98 Q 4.8181 8.3972 116.9136 54.6369 31.1070 174.6588 99 L 4.7889 8.6628 126.2599 53.5745 43.6733 175.1510 100 W 5.3124 8.8346 125.3270 54.8573 33.3904 173.8386 101 F 5.1082 9.4828 126.4844 56.7584 40.7626 174.4537 102 L 5.2741 9.3025 126.6007 52.9548 46.1013 175.7001 103 V 4.9280 8.2987 119.8591 61.4964 34.9732 174.2827 104 R 5.0843 9.2202 126.2435 54.3259 34.2464 175.2458 105 S 3.1739 8.5659 116.9100 56.5596 64.1403 172.0327 106 P 4.5059 0.0000 0.0000 62.9749 32.7718 175.7772 107 I 4.7962 8.4092 122.0622 59.8759 41.0701 174.1858 108 L 4.8484 8.6121 127.3479 53.0309 44.7739 175.2824 109 H 5.3853 8.7103 120.0747 54.0199 31.7204 173.2165 110 V 4.6328 8.7033 123.2477 60.9107 34.7544 174.8949 111 G 3.2180 8.3078 115.1607 45.3173 0.0000 172.3037 112 A 5.3005 8.3172 123.1071 49.8128 21.7624 176.3055 113 K 3.4715 8.4752 123.7458 58.9571 32.3752 177.1015 114 T 4.9813 7.9545 108.8396 58.8353 72.0419 174.3905 115 L 3.9649 8.8529 123.3992 58.5136 42.0239 178.7059 116 E 3.9647 8.2275 118.6016 59.4993 29.5909 178.4356 117 D 4.4269 7.9769 118.2251 57.1294 40.7822 178.5254 118 A 4.0558 7.9177 120.9136 55.2977 18.3784 179.8601 119 V 3.5810 7.7534 116.5401 65.9949 31.4799 178.3968 120 K 3.9874 7.9958 117.7883 59.3787 31.9617 179.1114 121 L 3.7921 8.0535 120.5668 57.9411 41.9591 178.9846 122 V 3.5268 8.1146 118.6009 66.3327 31.5277 177.8133 123 N 4.3684 8.5492 116.4800 56.0998 38.2769 177.2593 124 L 3.9428 8.2598 121.8687 58.1184 42.1624 178.9224 125 A 4.1266 8.5556 121.1575 55.1203 18.2742 179.8080 126 V 3.7730 8.0875 117.1642 66.2098 31.4368 178.4749 127 S 4.2754 7.9351 112.6412 61.0656 62.9630 174.6971 128 C 4.3244 7.5975 117.9468 60.0229 28.0025 174.2171 129 G 3.8561 8.1079 108.4278 45.2846 0.0000 175.0684 130 F 4.6053 8.1945 120.9692 55.1935 37.4868 176.3522 131 K 3.9321 8.0364 122.4824 59.5651 32.4107 177.4215 132 Y 5.0388 7.6565 114.3669 58.3350 38.1201 175.7134 133 S 4.8035 8.1536 117.0574 58.9665 64.3734 173.2149 134 N 4.7172 8.7998 119.4538 52.9092 41.2652 172.9853 135 I 4.3106 8.2867 120.1070 60.0639 37.0417 176.1769 136 K 4.2180 8.8886 130.8189 59.2868 32.6910 177.2460 137 S 4.6667 7.4931 111.2330 57.5263 66.0212 174.3576 138 I 4.6414 8.2766 122.1073 59.6383 40.0507 174.9900 139 S 4.6365 8.3188 119.2695 57.3316 65.6580 173.0684 140 N 4.6164 8.8769 116.1907 56.5415 38.6189 176.6886 141 K 4.2822 8.1389 116.7190 58.6108 33.0153 176.7059 142 K 4.6028 7.7872 115.4980 55.9351 35.5979 173.6044 143 L 4.6525 8.2685 121.6479 53.4554 44.1257 174.6779 144 I 4.7520 8.5647 128.2053 59.6430 39.5045 174.8477 145 V 4.5511 8.8669 127.1968 61.1081 33.8176 173.7818 146 E 5.0212 9.4709 129.5373 54.6146 31.9253 174.2509 147 I 4.8309 8.2996 128.1307 58.9201 39.3282 174.8315 148 R 5.1948 8.4371 125.4606 55.5901 33.6767 173.5716 149 S 5.1007 8.4660 118.7101 57.0126 64.1404 174.0932 150 T 3.8535 8.2512 112.2452 63.5804 69.1887 175.6902 151 E 4.1621 8.1300 121.2637 56.7784 30.2554 176.6082 152 R 4.8292 7.9848 117.4532 56.7197 31.5330 173.0214 *154 D 4.8205 8.5721 117.4206 54.9041 41.9213 174.8901 155 V 4.6111 8.9481 123.6663 60.9892 35.0412 173.8821 156 L 3.2558 8.4928 130.4339 54.7585 41.9830 176.1073 157 L 4.2642 8.8189 126.8965 55.4448 43.7974 176.8190 158 G 2.6655 6.9870 105.3350 45.8006 0.0000 170.9767 159 E 4.9909 7.6718 117.1097 56.4424 33.6144 175.3313 160 N 4.2183 10.4026 119.1050 54.3066 36.9208 175.5137 161 G 3.8830 8.4873 106.7562 45.0469 0.0000 173.9409 162 E 4.2764 8.1391 121.5453 54.8366 30.5671 174.6422 163 I 4.3142 7.9726 126.7298 59.8641 38.8246 175.4903 164 F 4.7352 8.6512 125.1098 60.1301 39.3538 177.3408 165 V 3.9511 7.7675 112.6022 61.4247 32.0815 177.1479 166 G 4.0427 8.5238 110.2433 43.7148 0.0000 174.0517 167 E 3.9480 8.5337 119.1681 59.0533 29.6875 178.3165 168 E 3.8921 8.1673 118.9185 59.4907 29.6447 177.9191 169 Y 4.2998 8.0185 118.8247 60.8481 38.9494 177.6092 170 L 3.5757 7.8891 121.1615 57.8980 42.1029 178.0327 171 N 4.1693 8.5306 117.4295 56.9782 38.7823 176.9146 172 K 3.9487 8.0601 119.3181 59.4322 32.1166 179.1689 173 I 3.5045 7.8006 120.4820 64.5654 36.9504 178.5931 174 V 3.5001 7.5650 118.6000 65.7649 31.4439 177.5788 175 E 3.8813 8.0024 119.0488 59.4258 29.5086 178.8953 176 I 3.8128 8.3643 119.8140 64.3994 36.9615 178.2363 177 A 4.1312 8.1783 120.7698 55.4508 18.2978 179.1910 178 N 4.4593 8.2127 114.1006 56.3319 38.8594 177.1435 179 D 4.5043 7.9316 120.3422 57.1739 40.8481 178.9984 180 Q 3.6120 7.7985 116.9055 56.0916 28.6196 178.2678 *182 R 4.2218 7.9693 122.0488 56.5043 32.0355 177.5918 183 R 4.1298 7.6470 118.0650 58.5964 29.8729 179.0083 184 F 4.5220 7.8770 117.4964 60.8458 39.0914 177.9175 185 K 4.1077 8.2261 117.4588 59.4213 31.4184 179.2367 186 E 3.9877 8.3537 119.0242 59.3658 29.3654 179.4330 187 K 3.9890 8.4049 118.9222 59.4912 32.0455 179.4026 188 L 4.2700 8.3684 119.3437 57.7304 41.4914 179.5728 189 K 4.0032 8.1522 119.5118 59.2525 31.9348 178.7480 190 R 3.8904 8.1054 118.4093 59.5026 30.4430 177.8188 191 L 4.1448 8.3827 120.3207 58.2184 41.8359 178.4441 192 E 3.9694 8.3193 119.4688 59.3758 29.3677 178.8894 193 S 4.2389 8.1607 112.8173 60.6360 63.3422 175.7808 194 K 4.3528 7.6221 120.1039 56.9248 33.2744 178.1998 195 I 4.1172 7.1428 121.0162 60.7701 34.7735 174.6994 196 N 4.9217 7.8199 119.7410 50.9252 41.0093 175.0378 197 A 4.2080 8.5920 124.0568 54.9544 18.5687 177.9093 198 L 4.1693 7.5656 117.8970 55.2978 42.7415 175.7207 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 R 8.10 4.32 0.00 2.17 2.27 0.00 3.18 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.96 0.00 7 F 7.78 4.35 0.00 3.53 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 8 T 6.77 3.94 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 1.07 0.00 0.00 9 E 7.95 4.05 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 2.28 2.42 0.00 10 N 7.98 4.68 0.00 2.98 2.92 0.00 0.00 6.70 7.65 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 11 F 8.01 4.15 0.00 3.50 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 12 E 8.49 3.82 0.00 2.15 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 0.00 2.36 2.42 0.00 13 R 7.87 3.94 0.00 1.86 1.82 0.00 3.20 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 14 A 7.93 3.76 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 15 K 7.41 2.74 0.00 0.87 1.46 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.27 1.36 7.81 16 K 6.95 3.82 0.00 1.88 1.76 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.48 7.81 17 E 7.77 3.99 0.00 1.78 1.92 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 2.25 2.53 0.00 18 A 7.58 4.13 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 19 L 7.96 4.21 0.00 1.75 1.66 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 *21 S 8.06 4.33 0.00 4.04 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 22 L 8.40 3.93 0.00 1.72 1.82 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.40 3.92 0.00 2.15 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 0.00 2.30 2.35 0.00 24 I 7.73 3.63 1.99 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 1.56 1.01 0.90 0.00 0.00 25 A 8.39 4.15 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 26 L 8.06 3.96 0.00 1.89 1.72 0.92 0.58 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 27 R 7.73 4.04 0.00 1.99 2.06 0.00 3.05 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 28 K 8.00 4.35 0.00 1.74 1.87 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.54 7.81 29 G 7.73 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.59 4.21 0.00 1.99 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 2.26 2.37 0.00 31 V 7.45 3.93 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 0.78 0.00 0.00 0.91 0.00 0.00 32 D 8.62 4.23 0.00 2.66 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 33 E 8.80 4.10 0.00 2.09 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 0.00 2.33 2.36 0.00 34 D 8.29 4.49 0.00 2.75 2.78 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 35 I 7.53 4.47 1.86 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 1.50 0.50 0.93 0.00 0.00 36 I 7.67 3.71 1.88 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 1.63 0.75 0.92 0.00 0.00 37 P 0.00 4.26 0.00 2.17 2.11 0.00 3.61 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 2.12 2.15 0.00 38 L 7.86 3.98 0.00 1.91 1.84 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.01 4.01 0.00 1.90 1.70 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.05 3.99 0.00 1.87 1.89 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.65 7.81 41 K 8.43 4.07 0.00 1.92 1.98 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.46 1.52 7.81 42 I 7.85 3.74 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.66 0.91 0.00 0.00 43 N 8.02 4.58 0.00 3.00 2.96 0.00 0.00 7.14 7.57 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 44 S 7.73 4.37 0.00 4.09 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 45 I 7.55 4.12 2.29 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 1.60 1.79 1.04 0.00 0.00 46 E 9.17 3.96 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 6.74 6.30 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 0.00 124 L 8.26 3.94 0.00 1.79 1.88 0.94 1.41 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 0.00 125 A 8.56 4.13 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 0.00 126 V 8.09 3.77 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 1.07 0.00 0.00 1.01 0.00 0.00 127 S 7.94 4.28 0.00 4.11 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 0.00 128 C 7.60 4.32 0.00 3.34 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 0.00 129 G 8.11 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 0.00 0.00 0.00 130 F 8.19 4.61 0.00 3.27 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 0.00 131 K 8.04 3.93 0.00 1.51 1.82 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.34 7.81 132 Y 7.66 5.04 0.00 3.16 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 0.00 133 S 8.15 4.80 0.00 3.92 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 0.00 134 N 8.80 4.72 0.00 2.74 2.90 0.00 0.00 6.97 7.75 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 0.00 135 I 8.29 4.31 1.83 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 1.17 0.55 0.82 0.00 0.00 136 K 8.89 4.22 0.00 1.69 1.82 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.33 7.81 137 S 7.49 4.67 0.00 3.84 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 0.00 138 I 8.28 4.64 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.58 0.85 0.00 0.00 139 S 8.32 4.64 0.00 3.98 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 0.00 140 N 8.88 4.62 0.00 2.76 2.96 0.00 0.00 6.80 7.61 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 0.00 141 K 8.14 4.28 0.00 1.80 1.91 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 142 K 7.79 4.60 0.00 2.06 2.13 0.00 1.50 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.42 7.81 143 L 8.27 4.65 0.00 0.34 1.04 0.41 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.56 4.75 1.76 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 0.73 0.75 0.00 0.00 145 V 8.87 4.55 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 0.96 0.00 0.00 0.87 0.00 0.00 146 E 9.47 5.02 0.00 2.02 1.92 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 2.21 2.29 0.00 147 I 8.30 4.83 1.54 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.75 0.11 0.00 0.00 148 R 8.44 5.19 0.00 1.88 1.85 0.00 3.22 0.00 0.00 3.25 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 149 S 8.47 5.10 0.00 3.95 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 0.00 150 T 8.25 3.85 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 0.41 0.00 0.00 151 E 8.13 4.16 0.00 2.20 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 2.24 2.37 0.00 152 R 7.98 4.83 0.00 2.21 2.04 0.00 2.79 0.00 0.00 4.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 *154 D 8.57 4.82 0.00 2.88 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 0.00 155 V 8.95 4.61 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 0.91 0.00 0.00 1.07 0.00 0.00 156 L 8.49 3.26 0.00 0.57 1.25 0.34 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.82 4.26 0.00 1.53 1.56 1.04 0.63 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 0.00 158 G 6.99 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 0.00 0.00 0.00 159 E 7.67 4.99 0.00 2.10 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 2.25 2.39 0.00 160 N 10.40 4.22 0.00 2.75 2.84 0.00 0.00 7.28 8.32 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 0.00 161 G 8.49 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 0.00 162 E 8.14 4.28 0.00 1.97 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 2.23 2.28 0.00 163 I 7.97 4.31 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.93 0.88 0.00 0.00 164 F 8.65 4.74 0.00 3.06 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 V 7.77 3.95 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 0.62 0.00 0.00 0.84 0.00 0.00 166 G 8.52 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 0.00 167 E 8.53 3.95 0.00 2.10 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 2.42 0.00 168 E 8.17 3.89 0.00 2.09 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 2.40 2.39 0.00 169 Y 8.02 4.30 0.00 2.96 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 0.00 170 L 7.89 3.58 0.00 1.81 1.71 0.68 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 171 N 8.53 4.17 0.00 3.04 2.86 0.00 0.00 7.24 6.22 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 0.00 172 K 8.06 3.95 0.00 2.05 1.88 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.66 7.81 173 I 7.80 3.50 1.49 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.45 -0.11 0.00 0.00 174 V 7.56 3.50 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 0.94 0.00 0.00 0.83 0.00 0.00 175 E 8.00 3.88 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 176 I 8.36 3.81 2.01 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 1.68 0.71 0.93 0.00 0.00 177 A 8.18 4.13 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 N 8.21 4.46 0.00 2.90 3.05 0.00 0.00 7.09 7.59 0.00 0.00 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 7.93 4.50 0.00 2.86 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 0.00 180 Q 7.80 3.61 0.00 2.04 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.39 0.00 0.00 0.00 0.00 0.00 2.26 2.50 0.00 *182 R 7.97 4.22 0.00 2.01 2.01 0.00 3.16 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 183 R 7.65 4.13 0.00 1.79 1.83 0.00 3.09 0.00 0.00 3.11 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 184 F 7.88 4.52 0.00 3.11 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 0.00 185 K 8.23 4.11 0.00 1.93 1.92 0.00 1.90 0.00 0.00 1.97 0.00 0.00 3.08 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.62 1.54 7.81 186 E 8.35 3.99 0.00 2.14 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 2.33 2.67 0.00 187 K 8.40 3.99 0.00 1.65 1.09 0.00 1.41 0.00 0.00 1.11 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.53 7.81 188 L 8.37 4.27 0.00 1.98 1.82 1.02 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 189 K 8.15 4.00 0.00 2.03 2.00 0.00 1.56 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.51 7.81 190 R 8.11 3.89 0.00 2.01 2.20 0.00 3.48 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 1.68 1.67 0.00 191 L 8.38 4.14 0.00 2.00 1.95 0.90 0.57 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 0.00 192 E 8.32 3.97 0.00 2.23 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 0.00 2.33 2.34 0.00 193 S 8.16 4.24 0.00 4.08 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 0.00 194 K 7.62 4.35 0.00 1.98 1.92 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.67 1.65 7.81 195 I 7.14 4.12 1.99 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.73 0.94 0.00 0.00 196 N 7.82 4.92 0.00 2.72 2.75 0.00 0.00 7.16 7.35 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 0.00 197 A 8.59 4.21 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 L 7.57 4.17 0.00 1.61 1.52 0.92 0.81 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 * Residues marked with a * may have inaccurate shift predictions.