NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.5627 8.3149 120.0857 56.3772 33.6278 174.6721 6 I 4.5001 9.2145 125.0239 58.6011 41.4443 169.0115 7 V 4.8608 9.0951 125.4602 61.3058 34.3100 173.8461 8 L 5.0800 8.6907 127.6978 53.0342 44.4890 175.6494 9 K 4.6422 8.7385 124.8024 54.9510 33.6595 176.8151 10 S 4.7047 8.4286 119.9020 57.3704 64.2166 174.2931 11 S 4.5533 8.5045 113.7620 58.4869 61.4875 174.1470 12 D 4.5415 8.0202 117.8977 52.2239 39.1434 174.4814 13 G 3.8687 8.4005 111.4829 47.7438 0.0000 173.5694 14 E 4.9071 8.0916 121.3537 54.5555 32.3611 174.3448 15 S 4.4860 8.4747 117.7972 59.2684 64.4124 173.8791 16 F 4.5823 8.8635 121.1320 55.5186 42.2154 173.9214 17 E 4.3714 8.9501 126.0174 55.9322 29.8165 175.9978 18 V 4.6956 8.7377 119.9164 59.3836 36.5611 175.6533 19 E 4.3728 8.6732 122.0558 55.7616 30.0979 176.6986 20 E 3.8274 8.4355 119.0139 60.4295 29.1606 178.7353 21 A 4.1658 7.7187 122.0094 54.3673 18.8855 179.3909 22 V 3.6505 7.6762 116.8287 66.0062 31.8937 177.7565 23 A 4.1040 7.8787 119.4161 54.1732 18.0233 178.5698 24 L 4.3679 7.1403 114.4845 55.5365 42.0124 177.7439 25 E 3.9434 7.7229 119.4068 59.0506 29.7829 177.1144 26 S 4.3338 7.7230 113.2734 57.4111 61.8417 174.4492 27 Q 4.2559 8.6376 127.1928 57.8636 28.6987 178.6261 28 T 4.0618 7.6202 114.8165 65.7358 68.9078 176.2003 29 I 3.9329 7.4807 120.0620 63.0679 37.9830 177.2593 30 A 4.0508 8.2739 124.0396 55.7716 18.2488 179.3013 31 H 4.6008 7.8654 107.9967 56.9304 28.1714 175.7674 32 M 4.8247 7.8869 117.2858 55.4007 32.9760 176.3943 33 V 4.3309 7.9010 109.2308 61.7467 31.3139 176.5448 34 E 4.2708 7.3436 119.8116 58.3652 30.3632 177.5426 35 D 4.6433 7.8030 119.4627 53.5527 38.9075 174.9798 36 D 5.0355 7.8470 121.5899 54.6040 38.7491 176.6921 37 C 4.4793 8.7057 122.6397 60.8521 28.4016 175.9514 38 V 3.7585 7.4570 120.2275 64.9308 31.4066 177.4920 39 D 4.3845 8.2928 118.8439 57.7284 40.6177 177.3651 40 N 4.7989 7.8664 113.4960 52.5595 38.8835 173.0411 41 G 4.0682 8.1313 111.1534 44.6935 0.0000 174.6046 42 V 3.8606 8.2041 122.5024 60.8997 32.4299 173.2728 43 P 4.9918 0.0000 0.0000 61.7411 32.4838 176.0862 44 L 4.8310 8.7934 124.9880 53.0397 41.6566 174.1379 45 P 4.7562 0.0000 0.0000 63.6144 31.6194 176.8509 46 N 4.6957 7.9173 113.4628 53.1561 39.4035 174.1813 47 V 4.2539 7.4103 119.2693 60.6292 33.4347 174.7646 48 T 4.1664 8.4542 121.2958 62.6241 69.0022 174.3547 49 S 4.1039 8.7971 121.0286 61.3850 62.4111 176.0633 50 K 3.8855 8.2616 121.9235 59.8873 31.6389 178.5181 51 I 3.8014 7.5397 119.0834 64.3837 37.2457 177.6617 52 L 3.7888 8.0265 121.0647 58.1800 41.6573 178.7591 53 A 3.9916 7.8801 120.3996 55.4451 17.8959 179.8408 54 K 4.1816 7.7220 115.2955 59.5134 32.0788 179.9378 55 V 3.7550 8.0492 118.8485 66.1337 31.5175 178.1472 56 I 3.7332 7.9950 119.7733 64.3524 36.7817 177.7795 57 E 4.0530 8.3845 120.2110 59.6044 29.3757 178.5027 58 Y 3.9528 7.7170 118.4711 60.9186 38.8940 177.4849 59 C 3.9486 8.1383 117.6489 62.5705 28.0770 175.5056 60 K 3.6859 8.3825 121.5499 60.1183 31.4409 178.5920 61 R 3.4913 7.2526 117.6555 59.4957 29.9263 178.0014 62 H 4.0208 7.5647 115.3996 58.4209 28.8708 177.5349 63 V 3.6917 7.8216 120.2777 65.5432 31.3885 177.5217 64 E 4.3492 7.7435 118.7811 56.6705 28.5042 177.0069 65 A 4.6629 7.8816 118.4062 51.9690 19.6298 178.7342 66 A 4.1020 8.0041 121.8539 56.6481 19.5763 180.8769 67 A 4.4279 7.2793 119.0337 51.7108 17.8665 179.3944 *80 D 4.6546 8.7281 115.4795 56.3656 43.3284 177.2174 81 D 4.3184 8.1150 118.2526 57.2304 41.6449 177.0266 82 D 4.6837 7.9699 116.2140 54.9648 41.7607 178.2423 83 L 4.0526 7.7038 120.8682 57.7881 41.9120 179.1261 84 K 4.2150 8.2689 117.4850 59.6521 31.8581 178.5170 85 A 4.0647 7.6000 119.6640 54.6839 18.2625 179.1526 86 W 4.2039 8.4778 125.2457 60.6011 30.7308 177.9990 87 D 4.5504 9.0985 118.7788 57.6257 40.1688 178.4918 88 A 4.0174 7.8986 119.7655 55.6176 18.3454 178.9742 89 D 4.3245 8.1335 115.9977 56.9655 41.0430 178.0782 90 F 4.0034 8.0137 120.8184 60.4851 39.3856 176.0856 91 M 4.1103 7.2881 116.1065 54.9596 33.5490 177.3359 92 K 4.2848 7.1802 119.0438 56.1777 29.6937 175.0205 93 I 4.5515 6.8453 113.2976 57.8107 41.5368 176.1208 94 D 4.5025 8.0668 120.0757 53.0013 41.4219 176.4193 95 Q 3.4186 8.5145 118.6448 59.2797 28.6293 179.1861 96 A 3.7775 7.6745 120.4301 55.9289 18.2179 179.7945 97 T 3.7565 7.6985 113.2761 66.4534 68.7354 176.4101 98 L 3.8460 7.6215 122.3202 58.3404 42.0203 179.1356 99 F 4.5190 7.9125 117.4471 60.8648 38.8010 177.5560 100 E 4.0918 8.1659 117.2925 58.8389 29.1317 179.4531 101 L 4.0748 7.6051 119.5487 57.4594 41.9153 178.9673 102 I 3.6610 7.5842 119.1843 64.6478 37.2517 178.2012 103 L 3.9850 8.0903 119.3151 57.9820 41.3534 179.7987 104 A 4.0565 7.8181 120.2440 55.2552 18.5331 179.4630 105 A 3.9382 8.5747 119.6596 55.4382 18.1385 179.2832 106 N 4.3972 8.1438 114.6315 56.4390 39.0833 176.4248 107 Y 4.3933 7.6875 120.3484 62.3365 39.4723 175.8123 108 L 4.1738 8.1125 120.8822 54.4821 43.7046 176.1572 109 N 5.0009 8.2735 112.1560 52.4852 38.9022 177.6249 110 I 4.2615 7.7741 121.3090 59.6343 37.4205 176.0379 111 K 3.9660 8.3299 126.5366 59.2643 32.4675 177.8589 112 N 4.4775 8.2637 116.7624 55.4158 37.0982 176.4901 113 L 3.9690 7.7654 122.1057 56.9432 42.4537 178.0617 114 L 3.8933 8.0884 120.4812 58.2304 42.1013 178.3098 115 D 4.4237 8.0270 118.9249 57.8669 40.8432 178.7302 116 L 3.9953 7.5980 119.3503 58.1778 42.1298 178.7347 117 T 3.8856 7.8517 109.2271 65.2341 68.5819 175.9146 118 C 4.0763 8.3038 119.6573 62.4262 27.9661 175.6810 119 Q 3.9746 7.8378 119.6238 59.6526 28.8993 178.0880 120 T 4.0675 8.3275 116.9810 67.1572 68.4735 176.5482 121 V 3.8175 7.9297 119.3186 65.9605 31.6514 177.7511 122 A 4.2340 8.2577 120.2229 54.4159 18.0391 178.6275 123 D 4.5903 7.8611 115.9977 56.2815 41.2578 178.2035 124 M 4.2502 7.6714 117.2939 57.5888 30.6999 177.8367 125 I 4.1874 7.6300 119.3839 62.0478 37.9865 176.2339 126 K 3.9601 7.2744 118.3103 58.0885 31.7439 175.4792 127 G 4.1107 8.3745 118.2119 44.2605 0.0000 172.8307 128 K 4.8358 7.3767 119.2813 54.9715 33.6229 177.1048 129 T 4.4497 8.4230 112.8668 60.0751 71.7671 173.9098 130 P 4.2336 0.0000 0.0000 65.9983 31.1495 178.5700 131 E 3.9268 8.0720 117.1865 59.3995 29.9590 178.1423 132 E 3.9490 8.2101 118.6118 59.7427 29.5277 179.4066 133 I 3.7742 8.5066 119.7620 64.6084 37.2406 178.3186 134 R 4.0132 8.2532 118.6573 59.9422 30.0852 179.2410 135 T 3.8537 8.2726 115.5817 66.9890 68.3457 177.0088 136 T 3.8879 7.7495 109.8493 63.6511 68.8251 175.5166 137 F 4.9250 7.7847 118.1324 55.3415 40.6976 175.3414 138 N 4.1227 7.7286 113.5810 54.3745 36.8931 171.6032 139 I 4.5676 8.6931 119.4037 58.7192 40.8265 175.3835 140 K 4.2525 8.5165 126.1457 55.4097 33.1712 176.1138 141 N 4.5875 8.3172 123.5471 52.1733 37.5697 174.4379 142 D 4.4935 8.0770 123.0228 53.8997 40.1186 177.2535 143 F 4.5956 7.9426 120.7723 57.6922 39.4354 175.6922 144 T 4.1139 9.4897 117.7480 61.0292 70.2116 173.6800 145 P 4.1814 0.0000 0.0000 65.9730 31.2850 178.3258 146 E 3.9220 8.1728 116.5061 59.8417 29.4709 178.6364 147 E 3.9277 8.0962 118.1466 59.4147 29.5836 179.0891 148 E 3.0457 8.3147 118.9822 59.1744 29.8256 179.1601 149 E 3.6841 8.0703 118.9447 59.3448 29.7233 178.2323 150 E 3.9989 8.7027 119.6543 58.9914 29.3724 179.2115 151 V 3.4333 8.0266 118.7543 66.0214 31.6858 177.6486 152 R 3.6989 7.6054 117.6576 59.8536 29.9239 178.5663 153 R 2.7157 7.9448 116.9997 59.7152 30.0824 178.6515 154 E 3.7237 7.9309 117.5191 59.6049 29.3054 179.4941 155 N 4.4151 7.9216 115.8307 56.1985 38.6509 177.2839 156 Q 4.1142 8.0829 118.9240 58.7309 29.1314 178.2169 157 W 4.5097 7.9730 118.7769 58.9303 29.2977 177.2105 158 A 4.4049 7.7751 119.6873 51.9933 20.2369 176.6917 159 F 5.1682 7.5674 112.7357 57.0863 42.5265 174.7346 160 E 4.2395 9.1833 122.7872 56.7128 28.6611 174.6191 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 5 K 8.31 4.56 0.00 1.67 1.83 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 6 I 9.21 4.50 1.89 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 1.12 0.96 0.92 0.00 0.00 7 V 9.10 4.86 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 1.05 0.00 0.00 0.96 0.00 0.00 8 L 8.69 5.08 0.00 1.71 1.57 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.74 4.64 0.00 1.78 1.81 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.42 7.81 10 S 8.43 4.70 0.00 4.02 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 11 S 8.50 4.55 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 12 D 8.02 4.54 0.00 2.84 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 13 G 8.40 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.09 4.91 0.00 2.02 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 2.30 2.49 0.00 15 S 8.47 4.49 0.00 3.72 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 16 F 8.86 4.58 0.00 3.15 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 17 E 8.95 4.37 0.00 1.97 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 2.30 2.42 0.00 18 V 8.74 4.70 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 0.87 0.00 0.00 1.04 0.00 0.00 19 E 8.67 4.37 0.00 2.07 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 2.39 2.35 0.00 20 E 8.44 3.83 0.00 2.06 1.88 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 2.37 2.45 0.00 21 A 7.72 4.17 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.68 3.65 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 1.04 0.00 0.00 0.90 0.00 0.00 23 A 7.88 4.10 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 24 L 7.14 4.37 0.00 1.83 1.70 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.72 3.94 0.00 2.02 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 2.33 2.37 0.00 26 S 7.72 4.33 0.00 3.90 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 27 Q 8.64 4.26 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.32 6.63 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 28 T 7.62 4.06 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 1.06 0.00 0.00 29 I 7.48 3.93 2.03 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 0.43 0.89 0.00 0.00 30 A 8.27 4.05 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 31 H 7.87 4.60 0.00 3.18 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.89 4.82 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 33 V 7.90 4.33 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 0.81 0.00 0.00 0.95 0.00 0.00 34 E 7.34 4.27 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 35 D 7.80 4.64 0.00 2.90 2.88 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 36 D 7.85 5.04 0.00 2.92 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 37 C 8.71 4.48 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.46 3.76 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 1.04 0.00 0.00 0.93 0.00 0.00 39 D 8.29 4.38 0.00 2.69 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.87 4.80 0.00 2.66 2.82 0.00 0.00 7.11 8.65 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 41 G 8.13 4.07 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 0.00 0.00 0.00 42 V 8.20 3.86 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 0.78 0.00 0.00 0.92 0.00 0.00 43 P 0.00 4.99 0.00 2.11 2.13 0.00 3.46 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 44 L 8.79 4.83 0.00 2.03 1.84 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.76 0.00 2.20 2.20 0.00 3.58 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.14 0.00 46 N 7.92 4.70 0.00 1.44 2.10 0.00 0.00 6.58 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 47 V 7.41 4.25 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 1.04 0.00 0.00 1.22 0.00 0.00 48 T 8.45 4.17 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 1.28 0.00 0.00 49 S 8.80 4.10 0.00 4.34 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 50 K 8.26 3.89 0.00 1.90 1.84 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.59 7.81 51 I 7.54 3.80 2.02 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 1.53 0.71 0.93 0.00 0.00 52 L 8.03 3.79 0.00 1.61 1.64 0.75 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.88 3.99 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.72 4.18 0.00 2.09 2.06 0.00 1.60 0.00 0.00 1.41 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.61 1.51 7.81 55 V 8.05 3.75 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 1.09 0.00 0.00 1.01 0.00 0.00 56 I 8.00 3.73 1.93 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.55 0.96 0.00 0.00 57 E 8.38 4.05 0.00 2.25 2.43 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 2.80 2.62 0.00 58 Y 7.72 3.95 0.00 2.70 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 59 C 8.14 3.95 0.00 3.05 2.94 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 60 K 8.38 3.69 0.00 1.95 1.90 0.00 1.55 0.00 0.00 1.54 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.42 7.81 61 R 7.25 3.49 0.00 0.79 1.22 0.00 2.74 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 62 H 7.56 4.02 0.00 2.82 3.13 0.00 5.91 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.82 3.69 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 1.07 0.00 0.00 0.94 0.00 0.00 64 E 7.74 4.35 0.00 1.93 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 65 A 7.88 4.66 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.00 4.10 1.25 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 0.00 0.00 67 A 7.28 4.43 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *80 D 8.73 4.65 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 81 D 8.11 4.32 0.00 2.76 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 82 D 7.97 4.68 0.00 2.75 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 83 L 7.70 4.05 0.00 1.78 1.71 0.72 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.27 4.21 0.00 1.85 1.94 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.58 7.81 85 A 7.60 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 86 W 8.48 4.20 0.00 3.54 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 87 D 9.10 4.55 0.00 3.07 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 88 A 7.90 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.13 4.32 0.00 2.86 2.63 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 90 F 8.01 4.00 0.00 2.06 3.02 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 91 M 7.29 4.11 0.00 1.91 2.17 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.77 0.00 92 K 7.18 4.28 0.00 1.68 1.70 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.45 7.81 93 I 6.85 4.55 1.69 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.48 0.68 0.00 0.00 94 D 8.07 4.50 0.00 2.78 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 95 Q 8.51 3.42 0.00 1.84 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 96 A 7.67 3.78 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 97 T 7.70 3.76 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 1.09 0.00 0.00 98 L 7.62 3.85 0.00 1.59 1.58 0.90 0.91 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 99 F 7.91 4.52 0.00 3.19 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 0.00 100 E 8.17 4.09 0.00 2.14 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 0.00 2.50 2.50 0.00 101 L 7.61 4.07 0.00 1.89 1.69 0.80 0.92 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 0.00 102 I 7.58 3.66 2.07 0.00 0.00 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 1.55 1.11 0.91 0.00 0.00 103 L 8.09 3.99 0.00 1.85 1.73 0.93 0.92 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 0.00 104 A 7.82 4.06 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 0.00 105 A 8.57 3.94 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 0.00 106 N 8.14 4.40 0.00 2.85 2.90 0.00 0.00 7.18 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 0.00 107 Y 7.69 4.39 0.00 3.00 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 0.00 108 L 8.11 4.17 0.00 1.65 1.53 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.27 5.00 0.00 2.59 2.73 0.00 0.00 6.76 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 0.00 110 I 7.77 4.26 1.92 0.00 0.00 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 1.44 0.50 1.03 0.00 0.00 111 K 8.33 3.97 0.00 1.84 1.83 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.52 7.81 112 N 8.26 4.48 0.00 3.07 3.13 0.00 0.00 5.86 6.67 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 0.00 113 L 7.77 3.97 0.00 1.72 1.82 0.13 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.09 3.89 0.00 1.80 1.65 1.01 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.03 4.42 0.00 2.99 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 0.00 116 L 7.60 4.00 0.00 1.89 1.59 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.85 3.89 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 1.19 0.00 0.00 118 C 8.30 4.08 0.00 3.07 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 0.00 119 Q 7.84 3.97 0.00 2.22 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.69 0.00 120 T 8.33 4.07 4.46 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 0.00 0.00 0.00 1.22 0.00 0.00 121 V 7.93 3.82 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 1.06 0.00 0.00 1.26 0.00 0.00 122 A 8.26 4.23 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 0.00 123 D 7.86 4.59 0.00 2.85 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.67 4.25 0.00 2.02 2.46 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.09 2.62 0.00 125 I 7.63 4.19 2.10 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 1.83 1.16 0.97 0.00 0.00 126 K 7.27 3.96 0.00 1.80 1.78 0.00 1.72 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.65 7.81 127 G 8.37 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 0.00 128 K 7.38 4.84 0.00 1.96 1.77 0.00 1.65 0.00 0.00 1.59 0.00 0.00 3.14 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.63 7.81 129 T 8.42 4.45 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 1.26 0.00 0.00 130 P 0.00 4.23 0.00 2.21 2.24 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 2.13 2.20 0.00 131 E 8.07 3.93 0.00 2.10 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 2.38 2.47 0.00 132 E 8.21 3.95 0.00 2.27 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 2.34 2.38 0.00 133 I 8.51 3.77 2.09 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 1.75 1.05 1.16 0.00 0.00 134 R 8.25 4.01 0.00 2.11 2.17 0.00 3.27 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 135 T 8.27 3.85 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 1.19 0.00 0.00 136 T 7.75 3.89 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 1.21 0.00 0.00 137 F 7.78 4.93 0.00 3.11 3.09 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 0.00 0.00 0.00 138 N 7.73 4.12 0.00 2.82 2.82 0.00 0.00 6.86 7.56 0.00 0.00 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 I 8.69 4.57 1.92 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 1.33 1.08 0.88 0.00 0.00 140 K 8.52 4.25 0.00 1.70 1.66 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.41 7.81 141 N 8.32 4.59 0.00 2.75 2.77 0.00 0.00 7.06 8.47 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 0.00 142 D 8.08 4.49 0.00 2.71 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 0.00 143 F 7.94 4.60 0.00 3.31 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 0.00 144 T 9.49 4.11 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 1.33 0.00 0.00 145 P 0.00 4.18 0.00 2.17 2.17 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 146 E 8.17 3.92 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 2.40 2.46 0.00 147 E 8.10 3.93 0.00 2.16 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 2.38 2.37 0.00 148 E 8.31 3.05 0.00 1.89 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 2.17 2.08 0.00 149 E 8.07 3.68 0.00 2.17 1.91 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 2.13 2.21 0.00 150 E 8.70 4.00 0.00 2.07 1.88 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 2.26 2.30 0.00 151 V 8.03 3.43 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 0.87 0.00 0.00 0.84 0.00 0.00 152 R 7.61 3.70 0.00 1.78 1.74 0.00 3.09 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 153 R 7.94 2.72 0.00 1.75 1.67 0.00 2.61 0.00 0.00 2.99 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.50 0.00 154 E 7.93 3.72 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 155 N 7.92 4.42 0.00 2.85 2.84 0.00 0.00 7.09 8.12 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 0.00 156 Q 8.08 4.11 0.00 1.49 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 157 W 7.97 4.51 0.00 3.35 2.99 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 0.00 0.00 0.00 158 A 7.78 4.40 0.50 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 0.00 0.00 159 F 7.57 5.17 0.00 3.02 2.81 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 0.00 160 E 9.18 4.24 0.00 2.15 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 0.00 2.24 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.