NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.3307 8.1329 112.9176 60.8289 71.7101 176.3288 7 D 4.2713 8.0014 122.5583 58.2570 39.9497 179.2778 8 T 4.1049 8.1924 118.5840 67.2685 68.8379 176.5735 9 E 3.9775 8.2987 119.4564 61.4250 29.6476 180.6811 10 N 4.6152 8.6828 117.2748 56.0879 38.5048 177.7306 11 I 3.7587 8.1042 121.8972 64.4087 37.1058 178.5996 12 S 4.1702 8.5425 118.8688 62.3002 62.6786 177.3114 13 E 4.0183 8.0262 120.9460 60.6414 29.4757 180.7427 14 L 3.9523 7.9818 120.9625 58.1583 42.2457 179.1292 15 L 4.2564 8.3139 121.5812 58.4121 41.4964 180.2675 16 K 4.0789 8.4462 123.9928 60.1810 31.5437 181.1441 17 T 4.1341 8.0238 117.0289 66.7896 68.3355 176.4933 18 Y 4.3782 8.1069 118.6843 60.7588 37.8522 178.4035 19 W 4.1282 8.5997 129.3687 60.5850 30.9792 177.9297 20 S 3.8135 8.7354 113.2417 61.4474 61.7578 176.1969 21 I 3.7322 8.0584 122.6265 64.4678 36.8802 178.2615 22 Q 3.9593 8.4245 122.9778 59.5693 28.5783 179.1448 23 R 3.6660 7.2832 121.1301 61.2413 29.5284 181.4673 24 I 3.9221 7.4372 120.6241 64.3468 37.1167 178.7523 25 S 4.3333 8.3869 115.9472 61.6311 62.5869 176.7132 26 A 4.1064 8.0704 123.7058 54.9016 18.0999 179.8947 27 G 3.3420 7.7403 104.3281 48.1666 0.0000 175.6053 28 Y 4.2408 7.6159 118.2638 60.5430 37.9940 177.9117 29 A 4.1204 8.0760 121.9434 54.6963 18.3080 179.3038 30 D 4.1748 7.8942 116.9558 57.7254 41.3076 178.4685 31 Q 3.6497 7.7552 118.4644 58.6288 28.3014 178.3209 32 N 4.5390 7.9844 116.9275 56.6407 39.3200 176.3594 33 A 4.1250 8.0797 121.8558 55.3777 18.5296 179.3936 34 A 4.0141 8.2530 119.6645 55.3553 18.1998 179.8479 35 S 4.2902 8.2760 111.5106 60.6143 63.2016 175.6091 36 L 4.5246 7.9796 121.0938 54.4508 42.0015 177.1591 37 G 3.9835 8.0989 107.4150 45.0381 0.0000 172.9974 38 L 4.9827 7.4005 117.6378 52.3200 45.2804 176.6978 39 T 4.3414 8.6132 111.6514 60.8670 71.3077 175.8080 40 I 3.6611 8.1009 120.7457 64.3505 37.7512 177.8757 41 Q 3.9946 7.9318 117.5489 59.0803 28.6961 178.2241 42 Q 4.1330 7.9782 118.1072 58.8590 28.9259 178.3325 43 L 4.1468 8.0542 121.2705 57.7505 42.0986 178.8830 44 A 4.1443 7.9349 116.8046 53.4102 18.1096 178.8642 *46 I 4.0898 7.6247 122.0221 62.6709 39.3590 178.0049 47 N 4.4002 8.3959 117.8511 56.2102 38.1895 177.7364 48 V 3.7355 7.8630 121.0809 65.6212 31.4405 178.2650 49 I 3.7674 7.7226 117.9638 64.1752 37.0045 177.4455 50 Y 4.1029 7.7696 120.3071 60.6984 38.6824 177.7651 51 S 4.4278 8.4720 114.7656 60.2963 64.7092 173.8676 52 T 4.8632 7.9773 118.6175 60.6600 68.8569 171.5399 53 P 4.3950 0.0000 0.0000 64.2505 32.3329 177.4300 54 G 3.8849 8.8089 109.3766 45.6547 0.0000 173.8269 55 I 3.7708 7.4393 120.3025 60.8006 38.7676 175.5448 56 S 4.9587 8.2852 121.0755 57.5229 65.7424 175.5513 57 V 3.6308 8.3633 122.3329 65.9070 30.7884 178.1953 58 A 3.9877 7.9879 120.1531 55.5611 18.2695 179.2822 59 D 4.3286 8.2543 117.2422 57.1620 40.9057 178.6730 60 L 3.9814 8.5658 121.6110 58.2254 41.9814 179.1209 61 T 3.8797 8.2267 112.1447 65.5406 68.5108 177.0027 62 K 3.8992 7.4506 125.6310 59.3345 31.7517 180.6524 63 R 4.2279 7.8946 118.7338 58.8404 30.0534 177.9942 64 L 4.1915 7.6179 117.0404 54.3037 43.2528 175.9526 65 I 3.0677 8.0855 118.7172 61.5182 33.7488 171.1619 66 I 4.6854 6.9991 113.0241 58.4065 41.5655 175.8669 67 T 4.4180 7.9383 109.9992 61.0979 70.9644 175.9254 68 G 3.6791 8.4616 107.8271 47.5345 0.0000 176.3392 69 S 4.1939 7.9643 117.5496 61.5114 62.9849 176.5475 70 S 4.1675 8.1376 116.8584 61.2424 62.9050 176.4318 71 A 3.9496 8.1408 124.2631 54.8569 18.0505 179.4892 72 A 4.0637 8.1197 119.1840 54.9694 18.2994 179.8377 73 A 3.9006 7.8262 119.1402 55.5460 18.5801 179.6132 74 N 4.2665 8.3351 115.1911 56.3531 38.5958 177.8266 75 V 3.5949 8.3415 119.9563 66.2317 31.5711 177.8228 76 D 4.4926 8.4698 118.9651 57.1702 40.7071 178.9744 77 G 3.6548 8.3339 106.6114 48.0321 0.0000 175.8132 78 L 4.0987 8.0621 121.7129 57.3295 41.6519 179.6963 79 I 3.7552 7.9343 119.9901 64.4103 36.7724 178.6321 80 S 4.2142 8.1464 115.6311 61.0973 62.6962 175.6888 81 L 4.4583 7.6430 118.7372 54.0084 41.5103 177.0450 82 G 3.9255 7.6797 106.6098 46.6201 0.0000 174.8358 83 L 4.5154 8.0873 121.7326 55.1372 43.3957 176.9465 84 V 4.9830 7.7419 109.6216 59.3578 35.8133 175.2908 85 V 4.4876 8.8996 121.5457 61.0494 34.8777 174.5984 86 K 4.5794 8.7181 126.9792 56.6391 32.2580 176.5562 87 L 4.3671 9.0346 128.3210 57.0869 42.7147 179.5420 88 N 4.6218 7.6540 110.4491 52.7730 36.7162 177.4621 *97 D 4.6054 8.9657 116.5533 54.5669 42.6349 174.7075 98 L 4.2751 7.7383 123.2019 55.3058 43.2257 175.7991 99 T 5.1667 8.4935 115.5938 60.3382 71.9838 173.1794 100 L 5.4210 8.4849 121.6027 53.2931 46.6737 175.3324 101 K 4.9829 8.7898 120.5197 55.1535 36.6015 175.3935 102 L 4.8614 8.4449 120.5550 54.3602 43.1673 176.8619 103 S 4.5326 8.3990 116.5452 57.1597 65.1248 175.1504 104 K 3.9603 8.6483 119.8541 59.3720 31.7685 178.2501 105 K 4.0050 8.1579 119.7268 59.5746 32.0516 178.8549 106 G 3.6303 8.0578 105.5243 47.6989 0.0000 175.5934 107 E 4.1306 8.4056 120.9740 59.2915 29.4556 178.9847 108 D 4.3628 8.4472 119.2757 57.4311 40.9124 178.7263 109 L 3.9047 7.8603 120.5613 58.2937 41.8727 178.9421 110 S 4.0263 8.0143 111.9632 61.2267 62.6810 176.0107 111 K 3.9591 8.0032 121.1873 59.4831 31.8850 179.4522 112 R 3.9401 8.2072 118.7927 59.3011 29.7465 179.1317 113 S 4.2722 7.7189 112.7017 60.8944 63.0461 175.8115 114 T 4.2433 7.6025 111.1978 61.9451 70.0766 175.0214 115 A 4.4281 7.2373 125.3509 50.2989 18.0542 174.6667 116 N 4.5437 8.0646 116.7216 52.6504 38.1811 174.4468 117 A 4.0321 8.3194 129.1788 54.8942 18.9501 179.6913 118 F 4.0777 7.9325 111.6708 58.7788 38.4378 176.4496 *120 Y 4.1394 7.9251 123.1871 57.5244 40.1372 176.4770 121 K 3.9948 8.0452 117.5193 59.3861 32.6033 178.3281 122 A 4.1301 7.1919 122.6068 52.0469 15.3052 177.4819 *125 K 4.4113 7.8889 121.5398 55.7894 35.0453 179.0945 126 V 3.5622 7.7161 118.2335 65.9966 31.8536 178.0643 127 F 4.1703 8.5110 118.0889 60.5578 38.9474 177.3032 128 E 4.0451 7.7765 119.2191 58.9152 29.2997 177.4412 129 N 4.9482 8.0935 114.4412 52.7017 38.8726 174.4332 130 L 4.9212 7.4825 117.4872 52.5578 45.3239 177.2442 131 T 4.2883 8.6670 112.6031 60.8056 71.2778 175.6801 132 E 3.8421 8.5400 122.0556 59.7103 29.6645 178.7921 133 N 4.3048 8.0685 115.8787 56.3378 38.6189 177.1165 134 E 3.9355 8.0938 120.0477 59.3234 29.6529 179.4657 135 I 3.4407 7.6179 119.8291 64.3082 37.1906 178.3391 136 E 3.9575 8.2268 119.5153 59.3570 29.1858 179.1137 137 E 3.9347 8.2959 119.3552 58.9089 29.7966 178.2494 138 L 3.9321 8.2871 120.8729 58.5055 42.1173 179.2177 139 I 3.7961 7.6690 119.1438 64.2171 37.0276 178.4590 140 R 3.9113 7.9519 119.4830 59.3612 29.9236 178.6599 141 L 4.0087 8.2571 119.1240 58.0264 41.6168 179.3188 142 N 4.5523 8.3434 118.7978 56.8332 38.4351 178.3371 143 K 4.0615 8.2611 125.2581 59.5644 31.7652 181.7089 144 K 4.2045 8.1232 120.1127 59.1907 32.0281 179.3237 145 V 3.5473 7.9519 118.8221 65.8845 31.6091 177.3241 146 E 3.8922 8.4472 119.4454 59.8123 29.2013 178.8843 147 T 3.8571 7.7575 113.9207 66.8905 69.0236 176.4057 148 L 4.1649 7.9413 120.5537 57.5437 41.3426 179.5900 149 L 4.1068 7.9466 118.6547 57.7197 41.6346 179.3799 150 K 4.1781 8.0056 119.8181 59.5290 31.9909 177.8768 151 K 4.2021 7.4967 123.6885 54.6906 31.7053 180.5328 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 8.13 4.33 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 7 D 8.00 4.27 0.00 2.76 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 8 T 8.19 4.10 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 9 E 8.30 3.98 0.00 1.97 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 2.32 1.98 0.00 10 N 8.68 4.62 0.00 2.94 2.88 0.00 0.00 6.99 7.16 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 11 I 8.10 3.76 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.89 0.94 0.00 0.00 12 S 8.54 4.17 0.00 3.99 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.03 4.02 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 2.24 2.18 0.00 14 L 7.98 3.95 0.00 1.77 1.80 0.47 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.31 4.26 0.00 1.81 1.79 0.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.45 4.08 0.00 1.74 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.36 7.81 17 T 8.02 4.13 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 1.17 0.00 0.00 18 Y 8.11 4.38 0.00 3.09 2.90 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 19 W 8.60 4.13 0.00 3.54 3.52 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 0.00 0.00 0.00 20 S 8.74 3.81 0.00 4.25 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 21 I 8.06 3.73 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.69 0.98 0.00 0.00 22 Q 8.42 3.96 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 23 R 7.28 3.67 0.00 1.97 1.83 0.00 3.33 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 24 I 7.44 3.92 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.20 1.02 0.00 0.00 25 S 8.39 4.33 0.00 4.04 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 26 A 8.07 4.11 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 27 G 7.74 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 0.00 0.00 0.00 28 Y 7.62 4.24 0.00 3.20 3.01 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 29 A 8.08 4.12 1.40 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 0.00 0.00 0.00 30 D 7.89 4.17 0.00 2.90 2.60 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 31 Q 7.76 3.65 0.00 1.71 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.05 2.28 0.00 32 N 7.98 4.54 0.00 3.20 3.08 0.00 0.00 7.21 7.24 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 33 A 8.08 4.13 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.25 4.01 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 35 S 8.28 4.29 0.00 4.23 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 36 L 7.98 4.52 0.00 1.81 1.75 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.10 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.40 4.98 0.00 1.60 1.54 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.61 4.34 4.37 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 1.24 0.00 0.00 40 I 8.10 3.66 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 1.62 1.18 0.89 0.00 0.00 41 Q 7.93 3.99 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 42 Q 7.98 4.13 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 43 L 8.05 4.15 0.00 1.77 1.82 0.91 1.14 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 44 A 7.93 4.14 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 *46 I 7.62 4.09 2.10 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 1.55 0.99 0.93 0.00 0.00 47 N 8.40 4.40 0.00 2.92 2.87 0.00 0.00 6.71 8.53 0.00 0.00 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 V 7.86 3.74 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 1.19 0.00 0.00 1.00 0.00 0.00 49 I 7.72 3.77 2.03 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 1.54 0.67 0.97 0.00 0.00 50 Y 7.77 4.10 0.00 3.08 3.21 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 0.00 0.00 0.00 0.00 51 S 8.47 4.43 0.00 4.16 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 0.00 52 T 7.98 4.86 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 53 P 0.00 4.39 0.00 1.98 1.93 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 54 G 8.81 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 55 I 7.44 3.77 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.33 0.92 0.00 0.00 56 S 8.29 4.96 0.00 4.08 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 57 V 8.36 3.63 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 1.00 0.00 0.00 1.00 0.00 0.00 58 A 7.99 3.99 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 59 D 8.25 4.33 0.00 2.83 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 60 L 8.57 3.98 0.00 1.85 1.91 0.93 0.71 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 61 T 8.23 3.88 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 1.30 0.00 0.00 62 K 7.45 3.90 0.00 1.89 1.79 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.34 7.81 63 R 7.89 4.23 0.00 1.95 2.16 0.00 3.23 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 64 L 7.62 4.19 0.00 1.78 1.71 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.09 3.07 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.43 0.92 0.00 0.00 66 I 7.00 4.69 1.87 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 1.62 0.64 0.91 0.00 0.00 67 T 7.94 4.42 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 68 G 8.46 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 69 S 7.96 4.19 0.00 3.88 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 70 S 8.14 4.17 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 71 A 8.14 3.95 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 72 A 8.12 4.06 1.40 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 0.00 0.00 0.00 73 A 7.83 3.90 1.40 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 0.00 0.00 0.00 74 N 8.34 4.27 0.00 2.95 2.88 0.00 0.00 6.74 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.34 3.59 2.27 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 1.04 0.00 0.00 0.95 0.00 0.00 76 D 8.47 4.49 0.00 2.88 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 77 G 8.33 3.65 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 0.00 0.00 0.00 78 L 8.06 4.10 0.00 1.72 1.74 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.93 3.76 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 1.53 1.20 0.91 0.00 0.00 80 S 8.15 4.21 0.00 3.99 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 81 L 7.64 4.46 0.00 1.65 1.70 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.68 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 0.00 0.00 0.00 83 L 8.09 4.52 0.00 1.72 1.73 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.74 4.98 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 0.70 0.00 0.00 0.93 0.00 0.00 85 V 8.90 4.49 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 0.98 0.00 0.00 0.94 0.00 0.00 86 K 8.72 4.58 0.00 1.68 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.47 7.81 87 L 9.03 4.37 0.00 1.50 1.70 0.91 0.94 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 88 N 7.65 4.62 0.00 2.79 1.79 0.00 0.00 7.13 7.94 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 *97 D 8.97 4.61 0.00 2.68 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 98 L 7.74 4.28 0.00 1.77 1.53 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.49 5.17 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 0.00 100 L 8.48 5.42 0.00 1.61 1.53 0.93 0.71 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 0.00 101 K 8.79 4.98 0.00 1.76 1.83 0.00 1.28 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.39 7.81 102 L 8.44 4.86 0.00 1.61 1.69 1.18 0.98 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 0.00 103 S 8.40 4.53 0.00 3.94 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.65 3.96 0.00 1.90 1.86 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.57 7.81 105 K 8.16 4.00 0.00 1.87 1.96 0.00 1.78 0.00 0.00 2.08 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.52 7.81 106 G 8.06 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.41 4.13 0.00 2.28 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 0.00 2.56 2.60 0.00 108 D 8.45 4.36 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.86 3.90 0.00 1.95 1.77 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.01 4.03 0.00 3.83 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 0.00 111 K 8.00 3.96 0.00 1.96 1.77 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.45 7.81 112 R 8.21 3.94 0.00 1.99 1.97 0.00 3.11 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 113 S 7.72 4.27 0.00 3.99 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 0.00 114 T 7.60 4.24 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 1.11 0.00 0.00 115 A 7.24 4.43 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 0.00 116 N 8.06 4.54 0.00 2.74 2.84 0.00 0.00 7.26 7.96 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 0.00 117 A 8.32 4.03 1.03 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 0.00 0.00 118 F 7.93 4.08 0.00 3.35 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 *120 Y 7.93 4.14 0.00 3.04 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 0.00 121 K 8.05 3.99 0.00 1.74 1.82 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.48 1.51 7.81 122 A 7.19 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *125 K 7.89 4.41 0.00 1.98 1.91 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.58 7.81 126 V 7.72 3.56 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 1.08 0.00 0.00 1.03 0.00 0.00 127 F 8.51 4.17 0.00 2.97 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 0.00 128 E 7.78 4.05 0.00 2.01 2.04 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 2.37 2.32 0.00 129 N 8.09 4.95 0.00 2.84 2.81 0.00 0.00 6.79 7.47 0.00 0.00 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 L 7.48 4.92 0.00 1.37 1.34 0.69 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 131 T 8.67 4.29 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 1.24 0.00 0.00 132 E 8.54 3.84 0.00 2.07 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 0.00 2.36 2.54 0.00 133 N 8.07 4.30 0.00 2.74 2.82 0.00 0.00 7.12 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 0.00 134 E 8.09 3.94 0.00 2.09 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 2.28 2.30 0.00 135 I 7.62 3.44 1.79 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.87 0.53 0.00 0.00 136 E 8.23 3.96 0.00 2.12 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 2.32 2.50 0.00 137 E 8.30 3.93 0.00 2.19 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 2.29 2.34 0.00 138 L 8.29 3.93 0.00 1.82 1.83 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.67 3.80 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.90 0.95 0.00 0.00 140 R 7.95 3.91 0.00 2.03 2.05 0.00 3.10 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 1.64 1.68 0.00 141 L 8.26 4.01 0.00 1.79 1.72 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 142 N 8.34 4.55 0.00 2.92 2.96 0.00 0.00 7.19 7.64 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 0.00 143 K 8.26 4.06 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 144 K 8.12 4.20 0.00 2.00 2.00 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.46 7.81 145 V 7.95 3.55 2.33 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 1.05 0.00 0.00 1.10 0.00 0.00 146 E 8.45 3.89 0.00 2.03 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 0.00 2.31 2.35 0.00 147 T 7.76 3.86 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 0.00 148 L 7.94 4.16 0.00 1.78 1.73 0.94 0.67 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 0.00 149 L 7.95 4.11 0.00 1.80 1.73 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 0.00 150 K 8.01 4.18 0.00 1.92 1.88 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.60 7.81 151 K 7.50 4.20 0.00 1.89 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.