NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.2830 8.1744 115.2453 61.8153 68.5348 172.5850 7 V 4.2235 8.6157 128.0395 60.2268 33.7853 173.6142 8 A 4.1996 8.8939 131.6769 51.2608 20.0717 176.6469 9 A 4.3278 7.6013 122.5029 53.0324 19.0216 176.3789 10 Y 4.7593 8.4565 117.3449 56.0679 41.9190 174.2815 11 N 4.2203 8.9456 113.5088 54.3756 36.0136 174.4895 12 L 4.5156 7.5327 116.8602 55.1448 42.9799 178.6330 13 T 4.7554 9.0265 119.7054 61.6788 73.4878 172.7509 14 W 4.8283 8.8038 123.8399 55.1808 30.7369 175.6828 15 K 4.5728 9.1404 125.5430 54.7198 33.8313 175.5208 16 S 5.1180 8.5166 119.5164 57.0503 66.2948 172.6285 17 T 4.8832 8.5560 122.8844 62.4580 72.8219 173.9821 18 N 4.3383 10.0582 122.8984 54.4392 36.7827 176.4357 19 F 4.2262 8.0832 118.1014 57.5959 38.8774 175.5203 20 K 4.2171 7.9200 122.4859 57.0246 33.1529 175.8368 21 T 5.2713 9.5048 124.1661 61.9598 72.5058 173.1167 22 I 5.0237 8.8767 126.2627 59.4576 41.7275 173.8451 23 L 4.7246 8.7234 128.4654 53.4142 44.0794 174.9761 24 E 4.9152 8.6688 124.5761 54.7075 33.7710 174.9795 25 W 5.1115 7.0294 116.8510 56.8205 31.4682 172.5570 26 E 4.5807 8.8372 118.5774 54.2546 33.8907 173.4980 27 P 4.7182 0.0000 0.0000 61.2243 33.6711 175.6112 28 K 4.1484 8.4176 119.6574 55.5119 32.3975 175.3734 29 P 4.3332 0.0000 0.0000 62.5659 31.6744 176.0400 30 V 4.0324 8.4046 123.9098 61.6223 31.4438 174.7672 31 N 4.2573 8.6403 128.0103 53.4044 36.2280 173.8232 32 Q 4.9543 7.6631 111.9691 55.2320 32.0665 173.8624 33 V 4.6115 8.6711 113.0550 59.8719 36.3131 173.8799 34 Y 6.2635 8.9050 117.6476 56.0146 42.2692 175.1580 35 T 5.1454 8.4811 116.2759 60.8338 73.2874 173.0522 36 V 4.4431 8.1473 124.8940 61.9228 33.6228 174.4578 37 Q 5.3467 9.2762 126.3805 54.2176 31.5307 174.5184 38 I 5.5183 8.3858 123.4952 59.6405 42.0540 174.0454 39 S 5.0037 8.5812 117.5728 57.8430 65.7637 176.0869 40 T 4.3960 8.0089 113.8644 60.9256 69.4380 176.2135 41 K 3.8721 8.3083 123.9253 57.1145 31.6080 178.5423 42 S 4.5220 7.4779 106.7014 57.7415 64.2732 174.2684 43 G 3.6830 7.4225 110.2113 45.2287 0.0000 173.2723 44 D 4.4622 8.1148 119.0613 53.7587 41.4537 176.4691 45 W 4.9167 8.4294 120.8702 56.4660 30.5682 175.8630 46 K 4.7348 9.1305 123.7954 54.7660 34.7520 175.6295 47 S 4.9969 8.9715 123.5056 58.6924 63.9613 173.5877 48 K 4.1003 8.1683 121.2036 54.7418 36.6256 175.0426 49 C 4.3839 8.1236 116.3487 58.1318 37.2885 174.0955 50 F 4.1096 7.6327 117.0688 58.7400 39.3827 175.8146 51 Y 3.9471 7.8596 125.0291 59.2281 36.2610 171.0808 52 T 4.4085 7.9532 112.7535 62.0381 68.4637 174.6824 53 T 4.5540 8.3179 114.8889 61.6525 69.8635 174.8160 54 D 4.5466 7.8510 122.4867 55.3800 41.6465 175.9271 55 T 3.6590 7.8400 109.7930 60.5545 69.4017 173.0681 56 E 4.3657 7.2831 117.6269 56.1010 33.4782 174.9140 57 C 4.7858 9.2125 120.4896 55.1456 47.2652 172.2859 58 D 4.8201 8.9487 126.8405 54.1631 41.5618 175.4866 59 L 4.7906 8.4302 126.8298 55.1437 42.6137 179.3760 60 T 3.9993 8.1586 118.3811 66.9898 68.1217 176.1562 61 D 4.4465 8.1617 119.0733 57.5459 40.7051 178.4261 62 E 4.1902 8.1180 118.7599 59.2083 29.4944 178.9539 63 I 3.2717 7.3801 111.2761 63.0943 37.9757 177.8524 64 V 3.8497 7.7041 112.1642 62.4876 31.5889 177.8831 65 K 4.4031 7.5798 117.5138 57.9939 32.1975 176.5207 66 D 4.4179 7.8360 117.8952 53.2620 42.8999 175.7380 67 V 4.1321 8.4026 120.2735 62.6030 31.9562 177.7826 68 K 4.4150 7.9974 118.3945 56.4816 32.5623 176.8397 69 Q 4.0878 7.4713 117.4268 55.7575 29.4719 174.4892 70 T 4.7303 7.7992 115.6408 62.1771 71.0922 173.2411 71 Y 4.9741 8.7591 123.6871 56.1091 41.1679 174.4406 72 L 5.4992 9.2825 124.6065 53.3766 45.5185 174.9737 73 A 5.7267 9.1585 126.0957 50.6098 22.8007 175.0950 74 R 4.7260 9.0451 114.7602 54.8381 33.7767 174.0372 75 V 4.3510 8.3160 120.2513 61.0707 34.3292 174.3486 76 F 5.0768 9.6678 127.3135 55.9699 41.6483 174.7416 77 S 5.2350 8.2181 117.4402 57.0808 65.2426 173.3493 78 Y 4.9780 8.7215 120.4699 55.4118 42.4996 173.3728 79 P 4.6907 0.0000 0.0000 63.9814 33.0647 181.0038 80 A 3.5250 9.6213 126.1945 52.4284 17.8082 176.9187 81 G 3.9631 8.4900 108.4238 44.2349 0.0000 177.4065 82 N 4.9374 7.3961 123.6982 53.1546 40.9160 175.7665 83 V 3.8935 9.0235 110.8689 62.6962 29.7925 168.6525 84 E 4.9399 7.9493 115.7493 54.6401 30.9965 174.5788 85 S 4.5583 8.1300 118.2846 58.2106 65.2022 174.4445 86 T 4.6558 9.4098 121.5986 63.2389 69.6411 176.0239 87 G 4.0941 8.3808 109.3906 44.7903 0.0000 173.9001 88 S 3.6223 7.9776 116.1127 58.2125 61.2653 173.3561 89 A 4.0962 8.5017 122.6787 53.6191 18.0077 178.7894 90 G 4.3730 8.3013 103.8361 45.5986 0.0000 173.2353 91 E 5.0112 7.3507 118.6533 52.8666 33.6601 173.6477 92 P 4.5454 0.0000 0.0000 62.8114 32.2924 175.9878 93 L 4.1736 8.5117 125.1080 55.5055 43.3433 175.1392 94 Y 5.0234 7.5021 122.5257 56.0566 41.5101 172.9319 95 E 4.6948 8.5322 117.8599 55.1888 33.6075 173.2952 96 N 5.3788 8.5638 121.5399 51.8889 40.3209 175.4561 97 S 4.7200 9.0914 118.5158 56.4815 64.8387 171.9590 98 P 4.6373 0.0000 0.0000 62.5421 31.6733 175.8755 99 E 4.5643 8.5183 118.4426 56.7932 30.5390 176.4452 100 F 4.5410 8.8634 123.5934 57.2203 43.1289 173.2602 101 T 4.6065 7.7518 122.4410 60.0555 69.9005 172.8985 102 P 3.6561 0.0000 0.0000 65.5498 31.3856 178.4151 103 Y 4.3058 8.6419 119.1263 60.0511 38.6503 177.3556 104 L 4.6959 8.0242 116.8084 54.6045 42.8133 176.5192 105 E 4.6143 7.8401 115.2576 55.5909 31.6580 175.9431 106 T 4.1398 7.6182 113.9636 61.7615 68.3350 173.5527 107 N 4.5076 9.1082 126.8798 53.0099 39.6275 174.5966 108 L 4.2464 8.4503 124.4709 54.4967 42.3613 177.4640 109 G 3.6432 8.9310 113.0477 44.7048 0.0000 172.8804 110 Q 3.9514 8.7511 123.1474 55.6609 28.8814 175.4693 111 P 4.6855 0.0000 0.0000 62.3502 32.8172 174.7365 112 T 4.6927 8.0311 107.2511 59.6138 71.5538 173.3445 113 I 3.8455 8.6983 127.5835 62.0398 37.7398 175.8529 114 Q 4.2942 9.1211 125.0468 56.9585 29.8400 173.6167 115 S 4.7420 8.5970 121.9858 58.3053 63.1416 172.3465 *116 F 4.8142 8.6858 124.0401 57.5008 40.8384 172.7659 *117 E 3.7299 7.4280 118.7846 56.8769 29.2278 181.7955 *118 Q 5.0561 8.4244 126.6512 52.5953 27.2150 172.8639 *119 V 3.9150 7.7216 121.2275 61.1529 34.0736 179.7502 120 G 4.1085 7.2828 103.8504 45.9587 0.0000 175.1765 121 T 4.1965 8.9987 124.5266 63.1520 67.4785 173.3385 122 K 5.4482 7.6012 122.7706 53.2094 35.8636 180.2647 123 V 4.1609 8.3056 123.4453 61.0317 33.4989 174.2199 124 N 5.0431 8.7203 128.3063 52.1791 38.5921 173.0371 125 V 4.0752 7.8238 124.6032 60.8612 33.3608 175.0490 126 T 4.9407 8.3053 122.3579 61.6682 70.9087 173.8310 127 V 4.4223 8.2936 125.8632 61.3369 33.4119 174.5984 128 E 4.2689 8.2218 129.9895 56.1085 30.4651 177.4922 *129 D 4.7504 8.8575 130.5871 54.2269 38.5961 172.4223 130 E 4.4100 8.5099 123.2602 55.3906 31.2576 175.7504 131 R 4.6239 8.7506 121.4761 55.9891 30.4787 175.9106 132 T 4.7696 8.7546 111.9834 59.9824 71.5351 174.0474 133 L 4.5202 8.6819 119.7827 55.4313 42.0042 177.5491 134 V 3.8236 7.7574 121.2524 62.3821 31.9444 175.0231 135 R 4.8522 8.4691 128.2292 55.0522 32.1936 176.7510 136 R 4.2919 8.2859 119.2045 55.3437 32.2148 175.3396 137 N 4.0317 9.0244 125.6798 54.0133 34.7189 177.3255 *138 N 4.3926 7.9692 112.2268 52.8424 37.4169 176.2626 139 T 4.4576 7.4631 106.2029 60.5333 70.9538 173.2726 140 F 5.1880 8.4408 121.7148 56.2602 40.1465 176.0537 141 L 4.4158 9.3869 124.8058 54.9013 43.2223 176.6238 142 S 5.0451 9.6351 116.4491 56.9962 65.6243 175.0933 143 L 4.2589 9.0304 120.9414 58.6352 41.3600 180.3915 144 R 4.1056 7.9640 117.5974 59.4291 29.7366 178.9021 145 D 4.4168 7.9224 117.6633 56.9038 40.8161 178.3028 146 V 3.8245 7.7382 117.1859 64.7338 32.2200 177.0446 147 F 4.8470 8.0609 117.6114 56.5041 40.1573 177.4574 148 G 3.9131 8.8131 111.3070 46.9514 0.0000 175.9920 *149 K 4.1953 8.7923 124.2409 55.7934 31.1503 175.3172 150 D 4.6176 8.6267 121.4248 56.6040 41.3959 175.7817 151 L 4.8695 7.6892 121.4153 53.3963 43.0832 175.9962 152 I 4.4572 8.4463 119.7088 59.4193 41.1715 173.6178 153 Y 5.8198 8.5512 119.3101 55.9522 42.1568 175.3652 154 T 4.8387 8.6269 115.9450 62.4689 72.9139 172.7470 155 L 4.9156 8.6204 128.8234 53.6378 44.2952 174.6378 156 Y 5.1692 9.1126 124.0580 57.1432 39.7400 175.8074 157 Y 4.8545 8.0599 117.1782 57.0240 40.5363 175.2413 *166 K 4.0126 7.9989 120.1883 56.1196 33.2146 173.9846 167 T 4.7885 8.1223 111.2751 59.7141 72.0482 173.7626 168 A 4.9756 9.5438 127.5258 52.4459 20.4257 175.4247 169 K 5.2411 8.4406 122.3457 57.7879 34.4393 174.1640 170 T 4.4747 7.4916 118.5426 61.2425 70.4295 173.3260 171 N 4.9858 8.3882 118.7384 52.4567 38.1954 174.1876 172 T 4.3571 7.3619 113.8419 61.6171 69.2950 173.7439 173 N 4.8355 8.6317 120.7735 53.8026 39.5848 175.2463 174 E 4.8656 7.5884 115.3886 54.9841 33.7466 179.0636 175 F 4.7494 8.5002 122.4262 55.9878 42.0911 175.1226 176 L 4.3173 7.9504 114.3832 54.9171 44.6166 173.9677 177 I 4.7609 7.8507 130.3482 60.7982 41.0710 174.3055 178 D 5.3259 8.2219 124.6957 54.3328 42.0676 176.3817 179 V 3.5814 8.3304 119.8380 63.0072 31.4275 175.4836 *186 C 4.1732 8.2460 128.6938 56.2150 41.2886 172.3240 187 F 5.0748 7.4738 118.3629 58.5881 39.2305 174.6352 188 S 4.9948 9.1353 118.5245 56.7695 66.4815 174.2835 189 V 5.4386 8.2645 116.4432 60.7646 35.2622 173.9259 190 Q 4.7625 8.3485 116.5596 56.0125 31.9072 173.7224 191 A 4.3157 8.4373 129.4218 51.8434 20.1367 176.0447 192 V 4.6141 8.6063 120.4597 61.2234 35.5936 174.3049 193 I 4.6313 8.1529 128.1225 58.1103 38.2298 174.5668 194 P 4.1873 0.0000 0.0000 65.4720 31.3504 178.1627 195 S 4.3962 7.9615 109.1996 58.9429 63.1405 173.9524 196 R 4.2874 7.3836 121.6020 55.9431 30.6418 176.6980 197 T 4.0305 8.5449 117.3130 64.3648 67.6909 174.1687 198 V 4.4233 7.2801 111.5934 59.7929 35.9501 174.4922 199 N 4.0558 8.7295 118.2816 54.8564 36.1328 176.6077 200 R 4.0809 7.9317 122.2320 59.3049 31.0321 179.4130 201 K 4.8673 7.7219 118.5205 54.3046 33.8512 177.9327 202 S 4.4044 8.5557 120.7889 58.6272 62.8547 172.7674 203 T 4.7226 8.2681 111.9319 60.0769 69.9791 174.9301 204 D 5.4643 8.9563 126.4034 54.0541 41.1577 176.7107 205 S 4.6769 9.0890 118.3556 57.1013 63.8254 172.2558 206 P 4.5335 0.0000 0.0000 62.3038 31.6694 176.6620 207 V 3.9882 8.4970 124.3775 62.0304 31.5639 175.2488 208 E 4.8058 9.5408 122.4469 54.4730 33.6545 173.2616 209 C 4.9817 8.6826 114.8224 56.5949 42.1215 173.6163 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 T 8.17 4.28 4.25 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 1.21 0.00 0.00 7 V 8.62 4.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.98 0.00 0.00 8 A 8.89 4.20 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 9 A 7.60 4.33 0.92 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 10 Y 8.46 4.76 0.00 3.11 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 11 N 8.95 4.22 0.00 2.84 2.87 0.00 0.00 6.86 6.74 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 12 L 7.53 4.52 0.00 1.47 1.47 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 13 T 9.03 4.76 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 14 W 8.80 4.83 0.00 2.88 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 15 K 9.14 4.57 0.00 1.57 1.70 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.57 7.81 16 S 8.52 5.12 0.00 3.87 3.80 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 0.00 0.00 0.00 17 T 8.56 4.88 4.25 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 1.24 0.00 0.00 18 N 10.06 4.34 0.00 2.98 2.98 0.00 0.00 6.77 8.06 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 19 F 8.08 4.23 0.00 3.36 3.34 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 20 K 7.92 4.22 0.00 1.99 1.94 0.00 1.53 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.52 7.81 21 T 9.50 5.27 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 22 I 8.88 5.02 1.83 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 1.11 0.66 0.83 0.00 0.00 23 L 8.72 4.72 0.00 1.03 1.34 -0.34 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.67 4.92 0.00 1.77 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 25 W 7.03 5.11 0.00 3.18 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 26 E 8.84 4.58 0.00 1.16 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 1.99 1.98 0.00 27 P 0.00 4.72 0.00 2.18 2.26 0.00 4.00 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 28 K 8.42 4.15 0.00 1.79 1.80 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.35 7.81 29 P 0.00 4.33 0.00 2.29 2.00 0.00 3.82 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 2.03 2.22 0.00 30 V 8.40 4.03 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 0.86 0.00 0.00 1.02 0.00 0.00 31 N 8.64 4.26 0.00 2.91 2.83 0.00 0.00 6.57 7.30 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 32 Q 7.66 4.95 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.59 6.79 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 33 V 8.67 4.61 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 0.84 0.00 0.00 1.18 0.00 0.00 34 Y 8.90 6.26 0.00 3.13 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 35 T 8.48 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 1.00 0.00 0.00 36 V 8.15 4.44 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 0.87 0.00 0.00 0.66 0.00 0.00 37 Q 9.28 5.35 0.00 1.90 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.44 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 38 I 8.39 5.52 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.01 1.13 0.00 0.00 39 S 8.58 5.00 0.00 3.30 3.38 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 40 T 8.01 4.40 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 0.80 0.00 0.00 41 K 8.31 3.87 0.00 1.79 1.79 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.02 7.81 42 S 7.48 4.52 0.00 3.86 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 43 G 7.42 3.68 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 0.00 0.00 0.00 44 D 8.11 4.46 0.00 2.69 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 45 W 8.43 4.92 0.00 3.24 3.18 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 46 K 9.13 4.73 0.00 1.90 1.73 0.00 1.71 0.00 0.00 2.04 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.50 7.81 47 S 8.97 5.00 0.00 4.14 3.69 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 48 K 8.17 4.10 0.00 1.51 1.52 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.57 7.81 49 C 8.12 4.38 0.00 3.11 3.18 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 50 F 7.63 4.11 0.00 3.02 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 51 Y 7.86 3.95 0.00 3.21 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.95 4.41 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 1.62 0.00 0.00 53 T 8.32 4.55 4.30 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 1.25 0.00 0.00 54 D 7.85 4.55 0.00 2.75 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 55 T 7.84 3.66 3.42 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 1.09 0.00 0.00 56 E 7.28 4.37 0.00 1.75 1.52 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 1.93 2.13 0.00 57 C 9.21 4.79 0.00 3.26 3.05 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 0.00 0.00 0.00 0.00 58 D 8.95 4.82 0.00 2.73 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.43 4.79 0.00 1.92 1.75 0.84 0.63 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 60 T 8.16 4.00 4.32 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 1.34 0.00 0.00 61 D 8.16 4.45 0.00 2.67 2.78 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 2.33 2.29 0.00 70 T 7.80 4.73 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 71 Y 8.76 4.97 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 72 L 9.28 5.50 0.00 1.75 1.67 1.25 1.32 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 73 A 9.16 5.73 1.24 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 0.00 0.00 74 R 9.05 4.73 0.00 1.50 1.82 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.00 75 V 8.32 4.35 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 -0.32 0.00 0.00 -0.32 0.00 0.00 76 F 9.67 5.08 0.00 2.68 2.38 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 77 S 8.22 5.23 0.00 3.68 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.72 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0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.93 0.00 0.00 120 G 7.28 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 121 T 9.00 4.20 4.25 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 1.22 0.00 0.00 122 K 7.60 5.45 0.00 1.50 1.60 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.70 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.25 1.05 7.81 123 V 8.31 4.16 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 0.92 0.00 0.00 0.93 0.00 0.00 124 N 8.72 5.04 0.00 2.74 2.71 0.00 0.00 7.26 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 0.00 125 V 7.82 4.08 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.62 0.00 0.00 126 T 8.31 4.94 4.20 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 1.20 0.00 0.00 127 V 8.29 4.42 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.76 0.00 0.00 128 E 8.22 4.27 0.00 1.97 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 0.00 2.30 2.26 0.00 *129 D 8.86 4.75 0.00 2.51 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.51 4.41 0.00 1.65 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 2.31 1.88 0.00 131 R 8.75 4.62 0.00 1.86 2.02 0.00 2.83 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 132 T 8.75 4.77 4.78 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 1.48 0.00 0.00 133 L 8.68 4.52 0.00 1.90 1.95 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.76 3.82 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 0.78 0.00 0.00 0.34 0.00 0.00 135 R 8.47 4.85 0.00 1.66 1.59 0.00 3.06 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.59 0.00 136 R 8.29 4.29 0.00 1.74 1.68 0.00 3.36 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 137 N 9.02 4.03 0.00 2.88 2.91 0.00 0.00 7.20 6.92 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 *138 N 7.97 4.39 0.00 2.91 2.83 0.00 0.00 6.87 7.71 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 0.00 139 T 7.46 4.46 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 1.22 0.00 0.00 140 F 8.44 5.19 0.00 2.98 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 0.00 141 L 9.39 4.42 0.00 1.58 1.61 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 142 S 9.64 5.05 0.00 4.07 4.12 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 0.00 143 L 9.03 4.26 0.00 1.85 1.96 1.03 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.96 4.11 0.00 1.87 2.06 0.00 3.37 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.91 0.00 145 D 7.92 4.42 0.00 2.90 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 0.00 146 V 7.74 3.82 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 0.20 0.00 0.00 0.80 0.00 0.00 147 F 8.06 4.85 0.00 3.26 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 0.00 148 G 8.81 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 *149 K 8.79 4.20 0.00 1.79 1.72 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.04 7.81 150 D 8.63 4.62 0.00 3.33 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 L 7.69 4.87 0.00 1.45 1.52 0.42 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 152 I 8.45 4.46 2.02 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 1.28 1.04 0.85 0.00 0.00 153 Y 8.55 5.82 0.00 2.91 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 8.63 4.84 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 1.13 0.00 0.00 155 L 8.62 4.92 0.00 0.27 1.01 0.66 0.01 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 0.00 156 Y 9.11 5.17 0.00 2.92 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 0.00 157 Y 8.06 4.85 0.00 3.12 3.31 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 *166 K 8.00 4.01 0.00 1.77 1.35 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.01 7.81 167 T 8.12 4.79 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 0.80 0.00 0.00 168 A 9.54 4.98 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 0.00 169 K 8.44 5.24 0.00 1.90 1.83 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.21 1.39 7.81 170 T 7.49 4.47 3.43 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 0.30 0.00 0.00 171 N 8.39 4.99 0.00 2.77 2.80 0.00 0.00 5.93 7.71 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 0.00 172 T 7.36 4.36 4.20 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 1.13 0.00 0.00 173 N 8.63 4.84 0.00 2.66 2.85 0.00 0.00 6.70 7.66 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 0.00 174 E 7.59 4.87 0.00 1.80 1.64 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 2.14 2.13 0.00 175 F 8.50 4.75 0.00 2.71 2.92 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 0.00 176 L 7.95 4.32 0.00 1.46 1.54 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 177 I 7.85 4.76 1.64 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.06 0.50 0.00 0.00 178 D 8.22 5.33 0.00 2.64 2.59 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 0.00 0.00 0.00 0.00 179 V 8.33 3.58 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 0.80 0.00 0.00 1.00 0.00 0.00 *186 C 8.25 4.17 0.00 2.86 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 0.00 187 F 7.47 5.07 0.00 3.24 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 0.00 188 S 9.14 4.99 0.00 4.07 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 V 8.26 5.44 2.23 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 1.07 0.00 0.00 0.95 0.00 0.00 190 Q 8.35 4.76 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.10 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 191 A 8.44 4.32 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 V 8.61 4.61 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 1.05 0.00 0.00 0.92 0.00 0.00 193 I 8.15 4.63 1.69 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.05 0.85 0.00 0.00 194 P 0.00 4.19 0.00 2.02 2.10 0.00 3.78 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 2.00 2.04 0.00 195 S 7.96 4.40 0.00 4.02 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 0.00 196 R 7.38 4.29 0.00 1.91 2.09 0.00 3.02 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 197 T 8.54 4.03 4.25 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 1.22 0.00 0.00 198 V 7.28 4.42 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 0.82 0.00 0.00 0.94 0.00 0.00 199 N 8.73 4.06 0.00 2.75 2.94 0.00 0.00 6.78 7.66 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 0.00 200 R 7.93 4.08 0.00 1.50 1.94 0.00 3.21 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.24 0.00 201 K 7.72 4.87 0.00 1.87 1.76 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 0.97 7.81 202 S 8.56 4.40 0.00 3.82 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 T 8.27 4.72 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 204 D 8.96 5.46 0.00 2.55 2.59 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 0.00 0.00 0.00 0.00 205 S 9.09 4.68 0.00 3.98 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 0.00 206 P 0.00 4.53 0.00 2.10 2.11 0.00 3.89 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 207 V 8.50 3.99 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 0.74 0.00 0.00 1.01 0.00 0.00 208 E 9.54 4.81 0.00 1.99 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 0.00 2.40 2.40 0.00 209 C 8.68 4.98 0.00 3.06 3.08 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 * Residues marked with a * may have inaccurate shift predictions.