NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2477 8.2129 120.8607 56.3434 32.3754 177.8528 3 K 3.8230 8.2043 122.4037 59.4526 31.4026 178.9677 4 G 3.9149 8.9011 108.2447 47.9482 0.0000 175.2981 5 Q 4.0196 8.0143 120.2966 58.5075 28.6981 178.4793 6 E 4.0607 8.4388 119.8277 59.4881 29.5814 179.3825 7 T 3.8339 8.4507 116.3187 66.4139 68.3835 176.8092 8 R 3.7806 8.0760 120.8842 59.2716 30.1011 178.2024 9 E 3.9161 8.1159 119.1501 59.4663 29.5823 179.1008 10 R 3.8782 8.2295 118.3223 58.8554 30.0006 179.2068 11 V 3.4622 7.8477 118.1939 66.0701 31.5332 178.2610 12 V 3.4167 8.0212 117.9509 65.7640 31.4293 177.8460 13 A 2.7468 7.5918 120.3722 54.9331 18.1972 179.7325 14 Q 3.8156 8.1433 116.6428 58.7289 28.7592 178.5334 15 A 3.4647 8.1016 122.0385 55.0637 18.3329 179.4801 16 A 4.1286 8.1455 119.1484 55.3556 18.5322 179.7121 17 A 3.9214 7.7969 118.7573 55.3061 18.3850 179.9540 18 L 3.8983 7.7518 117.4776 57.8805 41.6654 179.6650 19 F 4.4476 8.3009 119.3979 60.0117 38.6645 177.2339 20 N 4.3198 8.5240 116.6292 55.7845 38.4304 176.8497 21 V 3.8010 7.0246 117.9837 64.8432 32.3011 177.2298 22 S 4.6446 8.3058 111.3928 56.9287 62.8083 175.1838 23 G 3.9532 7.9745 108.2399 45.2597 0.0000 174.5622 24 Y 3.6627 9.0501 115.7701 60.9054 38.0151 178.7151 25 A 4.0523 8.2052 121.3912 54.9739 18.5066 178.6069 26 G 3.8633 7.5019 99.1768 46.1631 0.0000 173.5521 27 T 4.3001 7.7754 118.4112 61.8700 69.6284 173.9721 28 A 4.4171 8.3378 129.9900 51.1944 19.2642 177.5896 29 I 3.6679 8.6707 122.8435 64.1449 38.2475 177.9937 30 S 4.1839 8.1741 113.5431 61.4547 62.9819 175.3074 31 D 4.4536 8.0976 120.5496 57.1126 40.4059 178.6947 32 I 3.9084 7.2575 118.5799 61.3665 36.4482 177.9961 *34 A 4.1652 8.2305 124.7262 52.2940 20.0798 179.3292 35 A 4.2692 8.0775 116.3693 53.7753 18.5597 177.8926 36 T 4.4316 7.2659 103.7650 60.4424 69.4191 174.3383 37 G 4.1487 7.8871 107.5687 46.8594 0.0000 174.3942 38 L 4.7445 7.6169 117.0631 53.8990 42.6175 178.5085 39 E 4.0059 8.2612 119.8451 58.7261 29.4498 178.1329 40 K 4.3772 8.3456 116.5697 55.5261 32.5769 174.8641 41 G 4.0850 8.3474 105.1916 43.8272 0.0000 174.4620 42 G 4.1050 9.1106 106.4698 45.2632 0.0000 175.8697 43 I 3.6983 7.7715 119.7515 63.8901 38.1143 176.4016 44 Y 5.4663 7.7208 117.1083 58.5634 38.0103 177.1266 45 R 4.1065 7.9903 119.4131 58.5381 29.6490 182.2339 46 H 4.6284 7.8531 112.1556 56.0797 30.7402 174.8640 47 F 5.0890 7.6976 116.7714 55.5105 42.5408 175.6064 48 E 4.2209 9.7892 124.8143 59.1520 29.7889 177.5818 49 S 4.8575 7.8087 111.7392 56.0314 66.8128 175.1639 50 K 4.0481 8.8509 123.0781 59.8324 32.0251 178.6555 51 E 3.9239 8.2242 118.4411 59.4354 29.4082 178.9532 52 Q 4.0399 8.3494 119.6629 59.0198 29.1344 177.9404 53 L 3.1582 8.0526 121.3117 57.7003 41.9525 178.7868 54 A 3.8638 8.2983 121.0497 55.0867 18.3030 179.6429 55 L 3.8778 7.7972 116.9238 57.9254 41.7483 179.5916 56 A 4.1369 8.2711 120.5539 55.2041 18.2771 179.5921 57 A 4.0779 8.6386 119.7771 55.2292 18.4662 179.6624 58 F 4.0709 8.7060 119.5098 61.5626 39.4983 177.1190 59 D 4.4693 8.5274 118.6215 57.3666 40.5691 178.0974 60 Y 4.0171 8.3007 119.8582 60.6853 38.8298 178.0659 61 A 3.8821 8.2875 121.4842 55.1579 18.3989 179.4551 62 A 3.7694 7.8792 119.6543 55.0894 18.2892 179.4721 63 E 3.8120 8.1550 117.8725 59.3198 29.6769 179.1911 64 K 3.7762 7.7104 118.5619 59.2895 32.0416 179.4672 65 V 3.6035 7.7208 118.5022 66.0563 31.4357 178.0170 66 R 4.1326 8.3446 118.6892 59.6488 29.9367 178.3037 67 E 3.9806 8.4542 118.4889 59.4863 29.4177 179.5745 68 R 3.8351 7.9793 118.1453 59.1913 30.0728 179.1703 69 F 3.9698 8.2326 117.4204 60.1549 38.7398 177.6950 70 A 4.0886 8.2354 119.9141 55.2178 18.1508 179.6026 71 V 3.7813 8.0014 116.8327 66.1635 31.4307 178.5430 72 G 3.6644 7.8958 104.2375 47.3125 0.0000 174.8277 73 L 4.4777 8.1261 119.3622 54.4025 42.2659 176.7695 74 A 4.2205 7.0199 121.3543 53.3086 18.8092 177.8298 75 G 3.9953 8.9162 110.0772 45.6057 0.0000 173.8011 76 H 4.5465 7.2447 116.6776 55.6131 29.6109 175.0613 77 K 4.3413 8.6150 121.2591 58.5085 33.5971 177.4313 78 H 4.4609 8.0028 118.4768 55.6926 31.5422 175.8620 79 T 3.8939 8.9216 119.3581 65.0291 68.4039 176.9910 80 V 3.7013 7.9379 120.5340 65.8758 31.6487 177.5051 81 D 4.3465 8.1786 118.2020 57.7659 40.6498 178.8656 82 T 3.8402 7.9687 116.2234 66.6012 68.5493 176.9344 83 I 3.7598 7.8915 121.8035 64.4705 37.0644 178.6045 84 I 3.7896 8.1635 120.7115 64.1852 36.9791 178.3199 85 A 4.0464 8.1860 121.9487 54.9588 18.2670 179.3690 86 F 4.1574 8.3268 119.2972 61.5404 39.4180 177.3115 87 L 4.3230 8.1567 118.1299 58.1124 41.5173 179.0988 88 D 4.1942 8.5753 117.9195 56.9548 40.8175 178.5079 89 V 3.2198 7.2369 118.0198 65.8060 31.6308 177.6837 90 F 2.9044 7.0885 116.4362 60.0223 38.5611 177.3165 91 R 3.8628 8.1122 118.7762 59.6582 29.6906 178.2716 92 S 4.3032 7.9495 112.2645 60.3578 62.8087 175.4946 93 Y 4.4689 8.2064 121.6032 59.8454 37.5723 176.7892 94 A 4.2087 7.5759 122.8501 54.9159 18.4135 178.2084 95 E 4.5822 8.0956 110.6115 56.3650 31.5886 176.3123 96 R 4.5570 7.6346 118.9634 53.7810 29.9329 172.0116 97 P 4.0346 0.0000 0.0000 61.4613 32.5920 175.6323 98 P 4.1247 0.0000 0.0000 65.0691 31.3590 176.4170 99 L 4.6243 7.2028 114.0279 53.4280 43.6132 175.2700 100 V 3.5003 8.1591 118.6283 63.7804 31.1911 176.5265 101 G 3.8939 8.6150 111.2538 44.8463 0.0000 173.1308 102 G 3.7538 7.6695 105.4743 44.0551 0.0000 171.7926 103 C 4.4832 8.7462 120.1490 58.4750 32.6693 173.5928 104 P 4.8198 0.0000 0.0000 64.8857 31.0960 178.7298 105 I 3.9641 7.9218 119.9759 64.3640 37.1915 177.6318 106 L 4.1087 8.2222 120.6406 58.4295 41.7740 178.5902 107 N 4.4403 8.5685 116.5212 56.8390 38.4952 177.6470 108 T 4.1640 8.3897 116.8788 66.1855 68.5825 176.6903 109 A 4.0063 8.2763 123.0281 55.4457 18.1897 179.7789 110 I 3.6881 7.3995 116.3918 64.3775 37.2387 178.1673 111 E 4.1158 7.7658 119.0764 59.4439 29.9709 178.7711 112 S 4.3303 8.8149 115.8825 60.0442 63.0012 175.6940 113 D 4.3461 7.8444 121.9389 55.8817 38.9673 177.1134 114 D 4.9750 8.0603 115.9203 53.7842 41.4982 176.4019 115 T 4.4148 7.6119 109.3600 61.6150 70.8161 172.8187 116 N 4.7999 8.3128 120.5614 51.5262 40.3039 173.2570 117 P 4.4125 0.0000 0.0000 63.1122 31.3655 178.6538 *119 L 3.8081 8.0513 120.3834 54.7940 43.6472 179.2196 120 R 3.7890 7.9886 117.6545 59.6566 30.0031 178.9661 121 E 3.9143 8.1295 117.8929 59.2998 29.2733 179.6967 122 R 3.8609 7.5862 117.8161 58.9410 30.1328 179.0382 123 V 3.5891 7.5940 118.3023 66.1362 31.5163 178.2628 124 R 3.8508 8.2222 117.9214 59.1882 29.8451 178.8889 125 A 3.9476 8.0044 120.5492 55.0361 18.3419 179.9241 126 V 3.4269 7.4912 116.4643 66.0812 31.5148 178.1825 127 I 3.2671 7.3912 119.4845 64.5778 36.8632 178.1842 128 D 4.3455 8.4083 119.8859 57.1754 40.4693 178.6098 129 E 3.9750 8.1169 119.2698 59.2762 29.5015 179.4834 130 W 4.4070 8.0329 118.8128 59.9938 29.0677 178.8216 131 R 3.9749 8.4429 118.2958 59.2413 29.3967 178.7808 132 E 3.9257 8.5888 119.4606 59.4301 29.6454 178.9398 133 T 3.8647 8.2180 116.0492 66.7878 68.5099 176.7048 134 I 3.5566 7.6476 121.5704 64.1208 37.0670 178.2652 135 R 3.8547 8.1366 119.8251 60.0381 29.9004 178.7011 136 T 3.8848 8.1355 115.4541 66.5345 68.2914 176.7880 137 L 3.9911 8.0006 121.0342 57.6388 41.5976 179.6443 138 V 3.5293 8.1253 118.6615 65.9276 31.4490 177.8185 139 Q 3.9255 8.1718 119.2539 59.6115 28.9604 178.4336 140 T 3.9562 8.0636 116.8286 66.5389 68.3867 176.9228 141 G 3.6653 8.2804 109.2894 47.1781 0.0000 175.7298 142 I 3.9784 8.3846 123.7926 63.6714 36.9699 178.3140 143 A 4.0340 7.8902 120.0155 54.9413 18.2462 178.9271 144 R 4.3211 7.8103 113.6417 55.6742 30.5501 177.3477 145 G 3.9122 7.7874 107.4043 46.2113 0.0000 175.1550 146 E 4.7805 8.3114 120.9020 56.4511 30.9190 176.2777 147 I 5.0581 7.4405 119.2196 58.9265 41.7221 175.1792 148 R 4.1459 8.8977 125.6815 55.6599 30.3719 176.4755 149 P 4.3049 0.0000 0.0000 65.3106 31.5416 177.0807 150 E 4.1294 8.0105 115.0553 57.0209 30.0952 176.9330 151 V 3.4834 7.4797 121.2428 62.9728 31.9746 175.5025 152 D 4.5423 8.6652 126.5831 53.2135 41.2888 176.2896 153 A 3.9603 8.4283 129.9934 55.3911 18.4932 178.4571 154 D 4.2625 8.1066 116.0029 57.1341 41.3118 178.1772 155 R 3.8595 8.2193 119.4290 59.1926 30.0268 178.1754 156 L 3.9446 8.0973 119.8717 58.1222 42.0806 178.5659 157 A 3.9264 8.0784 120.6871 55.4426 18.2578 179.6792 158 L 3.9828 8.1935 117.4994 57.6715 41.6188 179.4980 159 L 3.9095 8.1554 120.4517 58.1901 41.8401 179.0165 160 I 3.6869 7.6684 118.3827 64.5389 37.1604 178.2214 161 I 3.7705 7.7500 118.8841 64.2061 37.1905 178.0879 162 A 4.2060 8.1489 121.6068 55.4958 18.2360 180.1160 163 T 3.9291 7.7217 109.8707 65.0433 68.2297 175.9275 *165 E 4.2450 8.1635 123.0525 56.3796 31.5168 178.3830 166 G 3.7091 8.3272 106.7989 48.4828 0.0000 174.6811 167 A 4.0969 8.1031 123.2589 55.0035 18.4415 180.3933 168 V 3.9360 7.4018 112.1391 63.5690 31.1530 177.6913 *170 L 4.2514 8.0847 119.8790 54.2334 43.4841 179.1434 171 A 4.3914 8.2083 121.8362 54.6295 17.9743 179.7290 172 R 4.0562 7.6230 115.4402 58.7276 30.2975 178.8896 173 I 3.9683 7.6464 118.8213 64.0522 37.5154 177.5225 174 L 4.1991 8.2720 117.5220 54.3743 42.3676 176.3972 175 E 3.8797 8.2661 117.2806 56.8641 27.1148 173.8787 176 T 4.5986 7.5565 110.1331 59.7592 71.1352 173.7429 177 A 4.2672 8.5101 126.8917 53.6768 18.6639 179.7837 178 T 3.6797 7.6324 108.7551 64.5751 68.5463 174.6326 179 P 4.2480 0.0000 0.0000 65.1888 31.2602 178.6008 180 L 4.0371 7.8218 117.4438 57.6494 41.6652 179.0807 181 E 3.9851 8.1230 118.6076 59.8422 29.3378 179.2290 182 H 4.3733 8.3830 116.1146 58.7566 28.7889 177.7883 183 A 3.9981 8.2856 122.7263 55.1870 18.1608 178.8558 184 Y 3.9939 8.3336 118.3167 61.3761 38.9185 178.6967 185 T 3.8302 8.2070 116.4419 66.7075 68.4788 176.0174 186 H 4.0662 8.4657 120.3293 59.5372 29.8561 177.3682 187 L 4.0009 7.9961 120.3572 57.5463 41.4478 179.3394 188 A 3.8154 8.0196 121.1961 55.3518 18.1506 179.9031 189 T 3.7686 7.8803 114.1785 66.7645 68.5494 176.2383 190 Y 4.1171 8.1899 121.7987 60.8796 38.7303 178.3142 191 I 3.3870 8.0508 120.8683 64.7067 36.9948 178.6340 192 T 3.8123 7.6339 115.1545 66.6412 68.3219 176.3920 193 Q 4.1646 8.1509 119.1083 57.5225 29.0363 176.7565 194 Q 4.4245 8.1679 116.1610 55.1978 31.2127 176.1421 195 V 3.9852 7.3050 116.4751 63.9691 33.2074 175.5261 196 R 3.9617 7.9689 119.3228 57.4228 30.0744 174.0332 197 L 4.4091 9.1073 125.0734 54.2395 43.8633 175.9829 198 A 4.4196 7.0948 122.4165 51.9957 19.2919 177.5860 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 R 8.21 4.25 0.00 1.86 1.99 0.00 3.30 0.00 0.00 3.34 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 3 K 8.20 3.82 0.00 1.88 1.82 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.14 7.81 4 G 8.90 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 5 Q 8.01 4.02 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 6 E 8.44 4.06 0.00 2.07 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 2.33 2.45 0.00 7 T 8.45 3.83 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 1.13 0.00 0.00 8 R 8.08 3.78 0.00 1.97 2.02 0.00 2.87 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.36 0.00 9 E 8.12 3.92 0.00 2.30 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 2.37 2.43 0.00 10 R 8.23 3.88 0.00 1.84 1.90 0.00 3.16 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 11 V 7.85 3.46 2.30 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 1.06 0.00 0.00 0.99 0.00 0.00 12 V 8.02 3.42 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 0.99 0.00 0.00 1.17 0.00 0.00 13 A 7.59 2.75 1.10 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 0.00 0.00 14 Q 8.14 3.82 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 15 A 8.10 3.46 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 16 A 8.15 4.13 1.57 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 0.00 0.00 17 A 7.80 3.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.75 3.90 0.00 1.48 1.49 0.74 1.04 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 19 F 8.30 4.45 0.00 2.98 2.14 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 20 N 8.52 4.32 0.00 3.06 3.07 0.00 0.00 6.75 7.27 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 21 V 7.02 3.80 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 0.95 0.00 0.00 22 S 8.31 4.64 0.00 3.82 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 23 G 7.97 3.95 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 0.00 0.00 0.00 24 Y 9.05 3.66 0.00 2.94 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 25 A 8.21 4.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.50 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 27 T 7.78 4.30 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 28 A 8.34 4.42 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.67 3.67 1.95 0.00 0.00 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 1.52 1.14 0.99 0.00 0.00 30 S 8.17 4.18 0.00 4.01 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 31 D 8.10 4.45 0.00 2.83 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 32 I 7.26 3.91 1.70 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.66 0.71 0.00 0.00 *34 A 8.23 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 35 A 8.08 4.27 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 36 T 7.27 4.43 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 1.12 0.00 0.00 37 G 7.89 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 0.00 0.00 0.00 38 L 7.62 4.74 0.00 1.63 1.60 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.26 4.01 0.00 2.10 2.20 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 2.36 2.28 0.00 40 K 8.35 4.38 0.00 2.02 1.87 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.92 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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 1.24 0.00 0.00 116 N 8.31 4.80 0.00 2.59 2.53 0.00 0.00 7.06 7.15 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 0.00 117 P 0.00 4.41 0.00 2.16 2.00 0.00 3.62 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 2.07 2.07 0.00 *119 L 8.05 3.81 0.00 1.43 1.34 0.08 0.27 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 0.00 120 R 7.99 3.79 0.00 1.97 1.92 0.00 3.08 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.90 0.00 121 E 8.13 3.91 0.00 1.92 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 2.27 2.38 0.00 122 R 7.59 3.86 0.00 1.39 1.47 0.00 2.96 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 123 V 7.59 3.59 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 1.03 0.00 0.00 0.76 0.00 0.00 124 R 8.22 3.85 0.00 1.95 1.92 0.00 3.15 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 125 A 8.00 3.95 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 0.00 126 V 7.49 3.43 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 1.01 0.00 0.00 127 I 7.39 3.27 1.93 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 1.44 0.39 0.99 0.00 0.00 128 D 8.41 4.35 0.00 2.81 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 0.00 129 E 8.12 3.98 0.00 2.11 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 0.00 2.34 2.48 0.00 130 W 8.03 4.41 0.00 3.66 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 0.00 131 R 8.44 3.97 0.00 2.01 2.13 0.00 3.18 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 132 E 8.59 3.93 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 133 T 8.22 3.86 4.42 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 1.25 0.00 0.00 134 I 7.65 3.56 1.73 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.20 0.79 0.00 0.00 135 R 8.14 3.85 0.00 1.93 2.10 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 136 T 8.14 3.88 4.36 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 1.21 0.00 0.00 137 L 8.00 3.99 0.00 1.81 1.69 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.13 3.53 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 1.03 0.00 0.00 0.91 0.00 0.00 139 Q 8.17 3.93 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 140 T 8.06 3.96 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 1.20 0.00 0.00 141 G 8.28 3.67 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 0.00 142 I 8.38 3.98 1.99 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 1.64 1.94 0.90 0.00 0.00 143 A 7.89 4.03 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 0.00 144 R 7.81 4.32 0.00 1.76 1.94 0.00 3.22 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 145 G 7.79 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 0.00 146 E 8.31 4.78 0.00 1.93 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 2.08 2.02 0.00 147 I 7.44 5.06 1.84 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 1.32 0.79 0.90 0.00 0.00 148 R 8.90 4.15 0.00 1.70 2.16 0.00 3.18 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 149 P 0.00 4.30 0.00 2.16 2.17 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 150 E 8.01 4.13 0.00 2.09 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 0.00 2.25 2.22 0.00 151 V 7.48 3.48 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 0.72 0.00 0.00 0.90 0.00 0.00 152 D 8.67 4.54 0.00 2.76 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 8.43 3.96 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 0.00 154 D 8.11 4.26 0.00 2.80 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 0.00 155 R 8.22 3.86 0.00 2.07 2.10 0.00 3.19 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 156 L 8.10 3.94 0.00 1.84 1.82 1.05 0.86 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 A 8.08 3.93 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 0.00 158 L 8.19 3.98 0.00 1.85 1.75 0.98 0.84 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 0.00 159 L 8.16 3.91 0.00 1.80 1.83 0.84 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 160 I 7.67 3.69 2.02 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 1.56 0.81 1.07 0.00 0.00 161 I 7.75 3.77 2.01 0.00 0.00 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 1.85 0.72 1.27 0.00 0.00 162 A 8.15 4.21 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 0.00 163 T 7.72 3.93 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 1.18 0.00 0.00 *165 E 8.16 4.25 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.50 0.00 166 G 8.33 3.71 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 0.00 167 A 8.10 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 168 V 7.40 3.94 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 1.16 0.00 0.00 1.18 0.00 0.00 *170 L 8.08 4.25 0.00 1.95 1.76 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 171 A 8.21 4.39 1.44 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 0.00 172 R 7.62 4.06 0.00 1.82 2.02 0.00 3.20 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 173 I 7.65 3.97 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 1.66 0.76 0.92 0.00 0.00 174 L 8.27 4.20 0.00 1.66 1.72 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 175 E 8.27 3.88 0.00 2.09 2.00 0.00 0.00 0.00 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 0.00 176 T 7.56 4.60 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 1.27 0.00 0.00 177 A 8.51 4.27 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 0.00 178 T 7.63 3.68 4.13 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 1.19 0.00 0.00 179 P 0.00 4.25 0.00 2.34 2.16 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 180 L 7.82 4.04 0.00 1.85 1.71 1.07 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 181 E 8.12 3.99 0.00 2.05 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 2.42 2.46 0.00 182 H 8.38 4.37 0.00 3.32 3.34 0.00 5.62 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 0.00 183 A 8.29 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 184 Y 8.33 3.99 0.00 3.16 3.25 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 0.00 185 T 8.21 3.83 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 1.26 0.00 0.00 186 H 8.47 4.07 0.00 3.31 3.48 0.00 5.78 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 0.00 187 L 8.00 4.00 0.00 1.69 1.69 0.92 0.82 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 0.00 188 A 8.02 3.82 0.91 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 0.00 189 T 7.88 3.77 4.36 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 1.24 0.00 0.00 190 Y 8.19 4.12 0.00 2.82 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 0.00 191 I 8.05 3.39 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 1.48 0.62 0.84 0.00 0.00 192 T 7.63 3.81 4.31 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 1.16 0.00 0.00 193 Q 8.15 4.16 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 194 Q 8.17 4.42 0.00 1.26 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.20 2.12 0.00 195 V 7.31 3.99 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 1.00 0.00 0.00 0.64 0.00 0.00 196 R 7.97 3.96 0.00 1.87 1.93 0.00 3.20 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 197 L 9.11 4.41 0.00 1.60 1.43 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 198 A 7.09 4.42 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 * Residues marked with a * may have inaccurate shift predictions.