NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 E 4.2262 8.4449 118.7760 56.2264 31.2936 174.4285 16 L 3.7510 8.2039 119.4041 55.3119 44.1472 174.7366 17 I 4.9394 7.1893 117.5835 59.3512 40.4542 174.2496 18 E 4.4626 8.2835 122.4217 55.4471 33.4532 173.5616 19 I 4.8161 7.8561 120.9234 59.4857 39.2031 175.3714 20 R 4.7822 8.5744 121.7513 54.1198 33.3840 174.2608 21 E 4.3708 8.8818 119.0058 56.4661 30.0357 177.1158 22 A 4.3919 8.6011 124.8948 51.4483 19.6832 179.5999 23 R 4.3314 9.4814 117.6685 56.6158 30.0985 178.2763 *25 D 4.6106 8.9243 127.1132 53.7972 40.7000 175.9295 26 D 4.4441 8.0930 119.8182 54.9662 40.7985 177.3867 27 L 3.7524 7.8017 122.0627 58.8834 41.8798 178.6366 28 D 4.2833 7.8645 117.6894 57.2674 40.7549 178.9027 29 T 3.4993 7.5500 116.0204 66.5407 68.4273 176.6592 30 I 3.4748 7.6949 121.7599 64.0189 36.8982 178.4141 31 A 3.9151 7.9554 121.7664 54.8964 18.1502 179.5200 32 K 3.8286 8.0309 118.2314 59.8166 32.2137 178.9763 33 F 4.0892 8.2852 118.2956 60.7043 38.7931 177.4850 34 N 4.3605 8.5224 116.3315 56.1718 38.3490 176.8273 35 Y 3.9543 8.2926 121.2642 60.8761 38.8509 178.0074 36 N 4.3339 8.3785 117.5230 56.0659 38.5274 177.1799 37 L 4.0356 7.8312 121.8475 58.2590 42.1998 178.9965 38 A 3.9588 7.9852 120.6707 54.7141 18.3489 179.6651 39 K 4.3121 7.6067 119.4526 59.3149 32.1367 179.0180 40 E 4.1006 8.3031 118.0181 59.1640 29.4644 178.6231 41 T 4.4055 8.0054 107.9866 62.5808 69.8791 175.7905 42 E 4.6251 8.3508 118.4691 55.2239 30.4658 177.6653 43 G 3.8256 7.8568 106.5331 45.3324 0.0000 174.4572 44 K 4.0883 7.2862 119.8652 55.9889 32.7122 176.2034 45 E 4.0783 8.2903 122.5804 54.2160 29.3946 175.8013 46 L 4.1327 7.8370 123.7880 54.2536 42.6058 177.8516 47 D 4.5147 8.3491 121.3127 54.1984 42.5504 175.4986 *49 D 4.4777 8.6120 116.6271 54.4962 42.9504 177.9818 50 V 3.5768 8.1988 118.0660 65.9667 31.4154 177.7220 51 L 3.9710 8.1236 120.1367 58.5368 41.8759 179.0690 52 T 3.8596 7.8485 115.1704 66.4861 68.3638 176.5009 53 K 4.0038 8.3143 120.6756 59.6157 32.2097 179.6130 54 G 3.5974 8.3112 106.0792 47.6843 0.0000 176.0453 55 V 3.9688 8.1839 122.3975 65.1219 31.5321 177.9806 56 K 3.8847 8.3624 119.4518 59.5366 31.8001 178.5430 57 A 3.9943 8.0862 120.1299 55.0854 18.5745 179.1001 58 L 4.0614 7.9342 118.3793 58.2912 41.9803 179.0424 59 L 4.1237 8.2152 118.2755 57.7588 41.6803 178.8325 60 L 4.5776 7.9881 116.2719 54.8518 42.4957 176.7920 61 D 4.6055 8.0359 119.0369 51.8084 41.6752 175.1035 62 E 4.1824 8.7098 124.9155 58.7712 29.7074 179.7669 63 R 4.1632 8.1864 117.6941 58.2426 30.3212 177.7831 64 K 4.1656 8.2978 117.1508 57.5120 32.4476 177.3130 65 G 3.6486 6.0251 103.7548 44.0714 0.0000 172.1275 66 K 4.4053 7.1288 118.6340 55.0349 36.2981 175.7621 67 Y 4.7979 8.3620 120.9958 57.0700 40.1739 174.2267 68 H 5.1916 9.2254 119.9412 54.1239 32.5828 173.4015 69 V 4.9888 8.7982 114.3839 59.8032 35.6383 173.8166 70 Y 5.0095 8.8794 125.3326 56.3766 40.6542 174.4473 71 T 5.1430 8.5304 116.7654 59.8141 72.6794 173.1636 72 V 4.4378 8.5313 123.2447 61.1785 34.3393 175.5841 73 F 3.7376 9.9173 129.8066 58.7716 36.9605 176.6705 74 D 4.6803 8.2403 117.3083 54.1614 39.1979 174.7483 75 K 4.1766 7.8461 121.8444 55.2379 32.8591 175.7891 76 V 4.2087 8.3325 126.4839 63.0775 31.8267 175.5415 77 V 4.6709 8.8264 119.1481 61.0103 33.8266 174.7852 78 A 4.8674 7.9552 121.2714 51.3547 22.7048 174.9185 79 Q 5.1322 9.1597 116.4529 55.3237 32.7773 173.8206 80 I 5.5750 8.9372 119.9127 58.7909 42.2608 172.9908 *82 Y 4.9816 8.2853 119.0429 57.2723 39.6122 174.3156 83 T 4.9574 8.6687 110.9125 60.3673 72.3716 172.0620 84 Y 5.5555 8.5311 117.9743 56.3045 41.1317 175.3881 85 E 4.8112 9.6411 123.6479 53.9862 32.5091 174.7330 86 W 4.6645 9.1743 135.0000 57.0470 31.9642 175.0204 87 S 4.5176 8.2209 123.2775 56.5120 62.4597 174.2920 88 D 4.5854 8.8198 128.1581 56.2832 39.5369 177.9472 89 W 4.4434 8.3815 118.6256 58.9051 29.1091 176.8518 90 R 4.2947 7.9468 114.4201 54.9703 30.7972 175.1731 91 N 3.9320 7.4937 115.7362 53.3810 37.7178 171.8687 92 G 3.4832 5.4930 103.9059 46.1479 0.0000 171.9468 93 N 5.4226 8.1353 117.1090 51.8086 40.7356 175.1259 94 F 4.6654 9.2002 122.0048 57.0096 40.7548 174.6505 95 L 4.9349 8.5005 123.1607 53.5096 43.0364 176.2403 96 W 4.6950 9.1505 124.0644 54.8028 31.2754 175.2713 97 I 4.1557 8.6138 127.6625 61.5760 36.2779 176.2116 98 Q 4.5359 8.7606 126.1150 56.8406 30.5214 175.9431 99 S 4.7959 7.6831 111.2324 57.4654 66.2016 173.9799 100 V 4.8746 8.3425 120.4469 61.8767 34.6067 173.3443 101 Y 4.8179 9.1556 127.6217 56.0580 42.6786 173.4739 102 V 4.3500 7.0734 125.1274 60.3973 34.2047 174.4325 103 D 4.2821 8.5948 127.7051 54.8115 41.4230 177.6307 104 K 3.8542 9.0802 124.4677 59.7396 32.2813 178.7178 105 E 4.0759 8.8084 117.0518 58.3351 29.4188 177.0848 106 Y 4.5686 8.0116 115.5674 57.5509 37.4945 175.9701 107 R 4.1500 7.5687 118.9235 56.5782 30.8693 176.6432 108 R 3.8127 8.5191 114.8857 57.5391 27.2256 177.1987 109 K 4.4740 7.7592 111.6305 56.0084 33.2883 177.3050 110 G 3.8453 8.2610 107.5475 45.6507 0.0000 175.7240 111 I 3.7444 7.6921 121.7034 63.9830 37.0424 177.5644 112 F 4.1043 8.3060 121.1396 61.8033 39.0861 176.9588 113 N 4.5568 8.3234 115.2789 56.4182 38.4097 176.7154 114 Y 4.4355 8.1431 118.5824 61.3448 38.0229 179.0022 115 L 4.1029 8.4999 120.0196 57.9624 41.6775 179.6271 116 F 3.8892 8.3727 117.7273 60.5883 38.8013 177.5605 117 N 4.4559 8.9096 116.6412 56.1664 38.3307 176.8960 118 Y 4.0192 8.3820 121.3135 60.7893 38.8530 178.2384 119 I 3.7319 7.9408 120.7811 64.1558 37.1120 178.3920 120 K 3.8525 8.3406 119.7102 59.5369 31.9221 178.8084 121 N 4.1998 8.2500 117.0891 56.6535 38.6521 176.6653 122 I 3.5811 7.2693 119.9462 64.7950 37.3863 177.7961 123 C 4.2119 8.1006 117.1913 63.0249 27.7479 176.0268 124 D 4.3742 8.0873 119.2960 56.6636 40.4045 177.9488 125 K 4.6714 7.6963 116.4279 55.1595 32.5750 176.1295 126 D 4.6174 7.7125 119.7985 52.1778 42.3093 175.8888 127 E 4.0184 8.7454 126.5092 58.3053 29.7510 177.5848 128 N 4.5907 9.1795 117.4600 53.9008 39.3399 173.5400 129 I 4.7815 7.6379 118.7941 60.5687 38.5881 175.9175 130 V 3.9416 8.2134 119.7151 60.6490 32.5346 176.7705 131 G 3.9341 7.1159 107.0556 46.5867 0.0000 172.5218 *133 R 4.3063 8.0830 120.7399 56.1858 31.8912 174.3169 134 L 5.1480 7.7611 118.8846 55.1154 43.2966 174.2093 135 Y 5.0714 8.2418 117.5180 55.1878 40.5618 175.3572 136 V 4.6631 8.2080 120.0518 59.6137 34.9540 174.8126 137 E 4.1232 8.8693 120.9647 56.7106 29.8431 178.6125 138 K 4.0457 8.7446 122.3380 59.5965 32.2565 177.8410 139 E 4.0803 8.0768 115.5102 57.0903 29.3066 176.2298 140 N 4.6020 8.0943 119.5325 52.4756 38.2978 175.4196 141 I 3.7266 8.3347 127.8132 64.3001 37.5485 177.8943 142 N 4.5390 7.8942 114.3541 53.8618 38.4821 177.2326 143 A 3.5291 7.5919 122.9335 54.7593 18.4736 179.2449 144 K 3.8359 8.1224 117.5120 59.8478 32.2123 178.5349 145 A 3.9376 7.8313 120.1439 55.3690 18.1560 179.3478 146 T 3.5510 7.2701 112.9995 67.1539 68.8070 176.1310 147 Y 4.3222 7.6881 118.6238 60.7814 37.8698 177.7561 148 E 3.8424 8.5055 120.1338 59.9366 29.4509 179.6612 149 S 4.1656 7.8461 113.2313 61.0587 62.8380 175.8724 150 L 4.6130 7.4460 119.0178 52.8485 42.2760 174.8073 151 N 3.8018 7.4778 120.0259 52.5129 35.3241 173.1906 *153 Y 4.5556 7.6278 118.9581 57.0478 39.4081 174.5825 154 E 4.1650 8.7457 122.7029 56.5780 30.2726 176.6336 155 C 4.4764 8.4837 123.4690 59.2286 29.9312 172.8549 156 D 4.8260 7.7151 118.9820 54.3209 40.5836 175.3387 157 Y 5.0635 7.5292 114.6334 56.4274 42.3975 176.2245 158 N 5.0227 8.5843 120.3599 52.5576 40.2823 173.8937 *160 Y 4.3087 8.1563 118.3547 58.9570 39.2079 174.0855 161 E 4.7427 8.4248 118.5257 54.9473 32.7275 173.7051 162 Y 4.6843 8.4569 121.5518 55.8801 40.4235 174.8271 163 E 4.0190 8.2034 127.0207 55.2768 29.8859 176.1954 164 V 3.5484 7.7782 124.2367 61.7415 32.5759 174.9167 165 I 4.4578 7.7922 125.3872 59.4136 40.9477 174.6457 166 H 4.5725 8.6785 122.4129 56.0052 28.9079 174.3190 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 15 E 8.44 4.23 0.00 1.95 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 2.24 2.30 0.00 16 L 8.20 3.75 0.00 1.43 1.06 0.88 -0.10 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 17 I 7.19 4.94 1.70 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.58 0.48 0.00 0.00 18 E 8.28 4.46 0.00 1.89 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 2.11 2.11 0.00 19 I 7.86 4.82 0.78 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 1.29 0.29 0.18 0.00 0.00 20 R 8.57 4.78 0.00 1.82 1.91 0.00 2.75 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 21 E 8.88 4.37 0.00 1.88 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 2.19 2.40 0.00 22 A 8.60 4.39 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 23 R 9.48 4.33 0.00 1.76 0.86 0.00 3.14 0.00 0.00 3.20 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 *25 D 8.92 4.61 0.00 2.75 2.79 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 0.00 0.00 0.00 0.00 26 D 8.09 4.44 0.00 2.74 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 27 L 7.80 3.75 0.00 1.67 1.62 0.91 1.23 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 28 D 7.86 4.28 0.00 2.63 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 29 T 7.55 3.50 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 30 I 7.69 3.47 1.48 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.41 0.19 0.00 0.00 31 A 7.96 3.92 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 32 K 8.03 3.83 0.00 1.82 1.83 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.53 1.49 7.81 33 F 8.29 4.09 0.00 3.13 2.87 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 34 N 8.52 4.36 0.00 2.97 2.91 0.00 0.00 6.64 7.62 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 35 Y 8.29 3.95 0.00 3.07 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 36 N 8.38 4.33 0.00 2.26 3.04 0.00 0.00 6.72 7.17 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 37 L 7.83 4.04 0.00 1.79 1.80 1.19 1.02 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 38 A 7.99 3.96 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 39 K 7.61 4.31 0.00 1.60 1.80 0.00 1.48 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.34 7.81 40 E 8.30 4.10 0.00 2.13 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 2.42 2.46 0.00 41 T 8.01 4.41 4.28 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 1.31 0.00 0.00 42 E 8.35 4.63 0.00 2.11 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 2.24 2.30 0.00 43 G 7.86 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 0.00 0.00 0.00 44 K 7.29 4.09 0.00 1.65 1.67 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.44 1.52 7.81 45 E 8.29 4.08 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 46 L 7.84 4.13 0.00 1.78 1.68 0.94 1.10 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 47 D 8.35 4.51 0.00 2.71 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 *49 D 8.61 4.48 0.00 2.81 2.84 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 50 V 8.20 3.58 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 1.04 0.00 0.00 1.05 0.00 0.00 51 L 8.12 3.97 0.00 1.85 1.80 0.98 1.03 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 52 T 7.85 3.86 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 1.18 0.00 0.00 53 K 8.31 4.00 0.00 2.04 1.88 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.57 7.81 54 G 8.31 3.60 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 0.00 55 V 8.18 3.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.05 0.00 0.00 56 K 8.36 3.88 0.00 1.91 2.02 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 57 A 8.09 3.99 1.35 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 0.00 0.00 0.00 58 L 7.93 4.06 0.00 1.77 1.94 0.56 0.08 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 59 L 8.22 4.12 0.00 1.82 1.76 0.84 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.99 4.58 0.00 1.63 1.72 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.04 4.61 0.00 2.64 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 62 E 8.71 4.18 0.00 2.26 2.26 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 2.39 2.38 0.00 63 R 8.19 4.16 0.00 1.96 2.05 0.00 3.30 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 64 K 8.30 4.17 0.00 1.88 1.87 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.59 7.81 65 G 6.03 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 66 K 7.13 4.41 0.00 0.79 1.29 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.19 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.67 7.81 67 Y 8.36 4.80 0.00 2.80 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 68 H 9.23 5.19 0.00 3.13 3.13 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.80 4.99 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 0.81 0.00 0.00 0.98 0.00 0.00 70 Y 8.88 5.01 0.00 3.06 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 71 T 8.53 5.14 4.18 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 1.16 0.00 0.00 72 V 8.53 4.44 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 1.26 0.00 0.00 1.07 0.00 0.00 73 F 9.92 3.74 0.00 3.13 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 74 D 8.24 4.68 0.00 2.89 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 75 K 7.85 4.18 0.00 1.86 1.82 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.41 7.81 76 V 8.33 4.21 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 0.92 0.00 0.00 0.94 0.00 0.00 77 V 8.83 4.67 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.89 0.00 0.00 78 A 7.96 4.87 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 79 Q 9.16 5.13 0.00 2.30 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.46 0.00 0.00 0.00 0.00 0.00 2.63 2.62 0.00 80 I 8.94 5.57 1.76 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 2.70 0.93 0.00 0.00 *82 Y 8.29 4.98 0.00 3.10 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 83 T 8.67 4.96 4.28 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 1.21 0.00 0.00 84 Y 8.53 5.56 0.00 3.04 3.23 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 85 E 9.64 4.81 0.00 2.18 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 0.00 2.41 2.30 0.00 86 W 9.17 4.66 0.00 3.53 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 87 S 8.22 4.52 0.00 3.94 3.46 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 88 D 8.82 4.59 0.00 3.05 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 89 W 8.38 4.44 0.00 3.30 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.95 4.29 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.01 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 91 N 7.49 3.93 0.00 2.87 2.80 0.00 0.00 6.95 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 G 5.49 3.48 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 0.00 0.00 0.00 93 N 8.14 5.42 0.00 2.77 3.00 0.00 0.00 7.46 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 F 9.20 4.67 0.00 3.17 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 95 L 8.50 4.93 0.00 1.29 1.25 1.05 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 96 W 9.15 4.70 0.00 3.31 3.20 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 0.00 97 I 8.61 4.16 1.85 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.61 0.61 0.00 0.00 98 Q 8.76 4.54 0.00 1.89 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.70 0.00 0.00 0.00 0.00 0.00 2.48 2.27 0.00 99 S 7.68 4.80 0.00 3.96 3.97 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 0.00 0.00 0.00 100 V 8.34 4.87 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.73 0.00 0.00 101 Y 9.16 4.82 0.00 3.12 2.69 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 0.00 102 V 7.07 4.35 1.84 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 0.72 0.00 0.00 0.89 0.00 0.00 103 D 8.59 4.28 0.00 2.82 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 0.00 104 K 9.08 3.85 0.00 1.90 1.86 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.52 1.53 7.81 105 E 8.81 4.08 0.00 2.07 1.58 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 2.29 2.31 0.00 106 Y 8.01 4.57 0.00 2.86 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 0.00 107 R 7.57 4.15 0.00 1.86 1.78 0.00 3.16 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 108 R 8.52 3.81 0.00 1.93 2.00 0.00 3.10 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 109 K 7.76 4.47 0.00 1.73 1.87 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.58 1.54 7.81 110 G 8.26 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.69 3.74 1.71 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.56 0.41 0.00 0.00 112 F 8.31 4.10 0.00 3.13 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 0.00 113 N 8.32 4.56 0.00 2.79 2.81 0.00 0.00 7.03 7.48 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 0.00 114 Y 8.14 4.44 0.00 3.26 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 0.00 115 L 8.50 4.10 0.00 1.76 1.63 0.89 1.05 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 0.00 116 F 8.37 3.89 0.00 3.08 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 0.00 117 N 8.91 4.46 0.00 2.96 2.97 0.00 0.00 6.63 7.03 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 0.00 118 Y 8.38 4.02 0.00 3.33 3.15 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 0.00 119 I 7.94 3.73 1.88 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.61 0.69 0.00 0.00 120 K 8.34 3.85 0.00 1.97 1.87 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.62 7.81 121 N 8.25 4.20 0.00 2.68 2.77 0.00 0.00 7.23 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 0.00 122 I 7.27 3.58 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.45 0.87 0.00 0.00 123 C 8.10 4.21 0.00 3.06 2.89 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 0.00 124 D 8.09 4.37 0.00 2.73 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 0.00 125 K 7.70 4.67 0.00 1.74 1.79 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.52 7.81 126 D 7.71 4.62 0.00 2.55 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.75 4.02 0.00 1.99 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 2.29 2.28 0.00 128 N 9.18 4.59 0.00 2.79 3.05 0.00 0.00 6.91 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 I 7.64 4.78 1.94 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 1.25 0.76 0.83 0.00 0.00 130 V 8.21 3.94 1.70 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 0.39 0.00 0.00 0.05 0.00 0.00 131 G 7.12 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 *133 R 8.08 4.31 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.66 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.16 0.00 134 L 7.76 5.15 0.00 1.57 1.61 0.55 0.11 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 0.00 135 Y 8.24 5.07 0.00 3.14 3.15 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 0.00 136 V 8.21 4.66 2.28 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 0.97 0.00 0.00 1.09 0.00 0.00 137 E 8.87 4.12 0.00 2.12 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 2.46 2.44 0.00 138 K 8.74 4.05 0.00 1.76 1.91 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.50 7.81 139 E 8.08 4.08 0.00 1.96 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 2.32 2.36 0.00 140 N 8.09 4.60 0.00 2.79 2.86 0.00 0.00 7.14 7.81 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 0.00 141 I 8.33 3.73 1.84 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 0.91 0.89 0.00 0.00 142 N 7.89 4.54 0.00 2.69 2.69 0.00 0.00 6.89 7.54 0.00 0.00 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 A 7.59 3.53 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 0.00 144 K 8.12 3.84 0.00 1.87 1.84 0.00 1.76 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.70 7.81 145 A 7.83 3.94 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 0.00 146 T 7.27 3.55 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 0.64 0.00 0.00 147 Y 7.69 4.32 0.00 2.95 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 0.00 148 E 8.51 3.84 0.00 2.37 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.76 0.00 149 S 7.85 4.17 0.00 3.97 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 0.00 150 L 7.45 4.61 0.00 1.65 1.60 0.66 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 151 N 7.48 3.80 0.00 2.80 2.88 0.00 0.00 6.94 7.08 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 *153 Y 7.63 4.56 0.00 3.11 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 0.00 154 E 8.75 4.16 0.00 2.01 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 2.34 2.40 0.00 155 C 8.48 4.48 0.00 3.19 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 0.00 156 D 7.72 4.83 0.00 2.43 2.26 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 0.00 157 Y 7.53 5.06 0.00 3.04 2.79 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 0.00 0.00 0.00 0.00 158 N 8.58 5.02 0.00 2.88 2.62 0.00 0.00 6.95 7.46 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 *160 Y 8.16 4.31 0.00 2.96 2.97 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 0.00 0.00 0.00 161 E 8.42 4.74 0.00 1.99 1.81 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 2.14 2.36 0.00 162 Y 8.46 4.68 0.00 2.84 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 0.00 163 E 8.20 4.02 0.00 1.78 1.71 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 2.20 2.15 0.00 164 V 7.78 3.55 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 0.61 0.00 0.00 0.91 0.00 0.00 165 I 7.79 4.46 1.76 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.00 0.85 0.00 0.00 166 H 8.68 4.57 0.00 3.16 3.13 0.00 5.78 0.00 0.00 0.00 0.00 6.91 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.