NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2036 8.2649 123.5865 51.9975 19.9766 175.6284 *2 D 4.4527 8.2496 115.4387 54.6523 41.8478 174.5757 3 F 5.1226 7.5583 114.8012 56.0993 41.2370 172.9684 4 H 5.1382 9.5067 116.1504 54.1322 32.7260 172.6191 5 I 5.2516 8.4974 121.7991 59.7493 39.5547 174.9964 6 R 4.7844 8.8555 121.8490 54.5121 33.4335 174.3688 7 K 4.8804 8.6537 118.9114 56.4402 32.6063 177.2697 8 A 4.6413 9.3977 126.6359 52.3575 19.3314 176.7930 9 T 4.6934 9.3014 109.6686 59.0629 72.0820 174.8931 10 N 4.2463 8.7498 118.9215 56.8955 38.1364 177.7104 11 S 4.2303 7.4051 115.5014 61.2952 63.1161 175.6857 12 D 4.5494 8.1804 120.0965 55.0389 40.5376 177.9716 13 A 3.8125 7.8542 122.9096 55.3108 18.3961 179.4465 14 E 3.8393 8.1541 116.1779 59.6371 29.5603 179.4378 15 A 4.0483 7.8891 120.2051 55.0636 18.4378 179.6413 16 I 3.4755 7.9168 118.6081 64.3287 37.0241 178.1602 17 Q 3.9164 8.2066 120.7632 59.5732 28.7251 178.1043 18 H 4.0851 8.2827 118.9422 59.2812 29.8189 177.3371 19 V 3.5236 7.9906 119.7133 65.9329 31.3608 177.7705 20 A 3.5071 8.1935 120.6399 55.3321 18.0989 179.7986 21 T 3.6436 7.9261 114.3656 66.9868 68.5133 177.1541 22 T 3.8434 7.9585 117.8274 66.6058 68.3951 176.7048 23 S 4.1191 8.3551 115.2811 61.1670 62.4391 176.0375 24 W 4.2285 8.6439 122.0226 60.4264 28.6607 178.2494 25 H 4.6569 8.2169 115.8259 58.5263 28.1468 177.2823 26 H 4.3747 8.4030 120.3592 59.6278 29.6576 177.4608 27 T 3.8721 8.1219 110.2468 63.6757 68.9940 175.2694 28 Y 4.3515 7.8371 118.2626 57.4212 37.9732 177.1065 29 Q 3.9622 7.5303 118.9109 58.9500 28.5466 177.3703 30 D 4.7989 7.9646 114.9852 53.9217 41.4906 176.1955 31 L 4.6087 8.1852 119.7272 55.5370 43.5156 177.1249 32 I 4.2376 7.3282 116.6110 57.6915 40.7619 174.0697 33 P 4.3787 0.0000 0.0000 62.7284 33.1979 177.9601 34 S 4.2283 8.6104 116.2806 61.5035 63.0236 176.4336 35 D 4.4668 8.0690 122.4076 56.1635 39.1392 178.7531 36 V 3.2090 7.5626 119.1170 65.7028 31.4227 177.5997 37 Q 4.1583 8.0158 117.8500 59.5272 28.6136 179.1109 38 D 4.3568 8.7180 119.8495 57.1412 40.7606 178.3626 39 D 4.2691 7.8456 118.4702 57.1221 41.2307 177.9841 40 F 4.3066 8.0222 120.6854 61.5104 39.3775 177.0896 41 L 3.9485 8.0543 118.5854 57.6055 41.1178 179.4486 42 K 3.8519 8.2067 119.2131 59.4751 32.1764 178.8757 43 R 3.7082 7.6309 117.4341 58.4444 30.0550 178.0939 44 F 4.5170 7.5900 114.2647 57.2000 40.2463 175.9765 45 Y 4.4667 7.6323 114.8486 56.8627 39.1125 176.0035 46 N 4.5373 7.7583 118.5175 52.4873 39.4464 175.8623 47 V 3.3935 8.0909 120.8543 65.9883 31.6552 177.8729 48 E 3.8167 8.0043 118.4836 59.7034 29.4983 178.7475 49 T 3.7976 8.1655 115.6900 66.5948 68.4225 176.6631 50 L 3.7558 7.8542 120.8602 57.8549 41.6011 179.0289 51 H 4.2555 8.2596 116.5652 59.1221 28.6591 177.5173 52 N 4.3413 8.0642 117.9395 56.4303 38.4163 177.7438 53 R 4.0135 8.1777 119.6227 59.3751 29.9467 179.2215 54 I 3.6719 7.7634 118.9507 64.4797 37.1053 178.4135 55 S 4.2767 8.1536 114.9088 60.7659 62.7233 175.6126 56 A 4.6540 7.6972 121.0723 51.6553 20.2033 176.6817 57 T 4.6574 7.4684 105.8119 58.9154 72.2223 171.9406 58 P 3.2556 0.0000 0.0000 62.7509 32.4425 175.2754 59 F 5.1959 8.5098 122.7776 55.6037 42.6624 173.7932 60 A 5.6643 9.5481 125.7690 50.3725 22.2226 175.3733 61 V 5.0911 9.2688 113.5361 59.5359 35.9073 174.3334 62 L 5.2147 8.9900 125.6774 53.5292 44.0925 174.7348 63 E 5.2603 9.4057 127.0902 54.6102 33.1222 174.1015 64 Q 4.7846 9.3290 126.2019 55.3099 33.2661 173.9278 65 A 3.5808 9.5432 126.4850 53.4312 16.2681 176.8901 66 D 4.6672 8.5018 114.2438 55.9163 40.0512 172.5982 67 K 4.5695 7.7865 117.9112 53.6667 34.8354 175.5232 68 V 4.1613 8.5556 126.1441 63.2253 31.8146 175.2474 69 I 4.5507 8.7026 119.8688 60.4547 39.1801 174.9245 70 G 4.4548 7.9515 108.5514 46.1406 0.0000 172.1874 71 F 5.6455 8.2987 114.5209 55.7442 41.9321 172.9063 72 A 4.9808 9.3968 120.8473 50.2232 22.9443 174.5400 73 N 4.7234 8.8021 119.9410 51.5050 41.8285 172.9337 74 F 5.5454 8.7004 125.1992 55.6932 41.1837 175.1309 75 I 4.7855 8.9045 116.5365 58.8785 41.0981 174.5191 76 E 4.5904 8.8379 122.9806 56.4235 30.1207 176.0700 77 L 4.9797 8.4487 123.2166 52.2225 44.8226 176.3168 78 E 4.0420 8.5583 118.0327 57.6364 29.9720 176.6899 79 K 3.5314 9.1094 116.5111 57.9538 29.0838 176.5067 80 G 3.8843 8.4330 103.4248 46.4493 0.0000 174.2142 81 K 4.9375 7.5345 117.1528 54.7481 34.9533 175.5952 82 S 5.3124 9.2199 117.2792 56.9185 67.1556 173.2398 83 E 4.9272 9.3156 122.5087 54.5738 32.6656 174.9802 84 L 4.4652 9.2381 129.8534 54.3379 40.4742 175.8636 85 A 4.3740 8.8516 127.4451 54.0363 19.3736 177.5857 86 A 4.7644 7.7229 116.1785 50.7254 23.0674 175.6546 87 F 4.5144 7.9695 124.5777 57.3016 41.6149 172.8844 88 Y 4.5000 7.7254 123.8344 55.8988 41.7735 174.7259 89 L 5.0163 8.1244 122.4215 52.2943 45.1533 176.5230 90 L 4.0411 8.6213 122.4224 54.4658 42.4345 176.8360 91 P 4.1946 0.0000 0.0000 65.8267 31.3697 178.2331 92 E 4.0667 8.0551 115.4670 58.0966 29.5855 177.6179 93 V 4.3262 7.6121 110.8418 60.9045 31.1680 175.8197 94 T 4.0166 7.2634 110.8148 62.2740 69.4606 174.8175 95 Q 3.6937 8.5971 118.4852 56.9998 25.5743 174.5051 96 R 4.3844 7.5849 113.8110 55.6496 31.3554 177.5463 97 G 3.9940 8.2139 107.1021 45.6590 0.0000 175.4493 98 L 3.9192 7.2470 117.3109 57.1357 41.4994 179.4152 99 G 3.5556 7.9229 105.5850 47.8511 0.0000 175.6846 100 T 4.1116 8.1557 117.6271 66.6607 68.4765 176.3257 101 E 4.0707 7.9190 118.8907 59.3193 29.5184 178.9245 102 L 4.1268 8.2092 120.5078 58.2502 41.9041 178.7977 103 L 4.3810 8.2984 118.6475 58.5498 42.2293 178.5372 104 E 4.1839 8.3898 117.2888 59.4760 29.6860 179.2491 105 V 3.9920 8.5314 118.9422 65.5260 31.0624 178.6456 106 G 4.3075 8.3773 105.3674 46.9184 0.0000 175.1405 *108 T 4.2075 8.0767 117.2234 63.2743 70.2400 176.3940 109 L 3.7636 7.9230 119.5754 57.1080 41.6068 178.2533 110 F 4.8256 7.5519 113.2705 56.6919 39.3887 174.8525 111 H 4.0042 7.6534 115.9252 56.6213 26.5383 175.3319 112 V 3.7273 7.7794 118.9780 62.0254 31.8174 173.6095 113 P 4.6179 0.0000 0.0000 62.1498 32.5084 175.5094 114 L 4.4827 8.0484 119.5820 53.6798 43.0156 176.3691 115 P 5.2846 0.0000 0.0000 62.0948 34.4676 174.8839 *117 F 5.0733 8.5633 116.4470 58.2094 40.9391 174.5261 118 V 4.7943 8.8210 119.5778 60.5430 34.8939 173.0991 119 N 5.4077 8.7751 120.5740 51.9488 40.4673 174.5275 120 V 4.4373 8.7787 122.6711 60.6801 35.5582 174.2052 121 E 4.3043 8.5585 128.2211 55.8871 30.0786 177.5517 122 K 3.8587 9.0232 128.6600 59.0628 32.3775 177.5545 123 G 3.8759 8.4626 105.6787 45.5285 0.0000 174.7618 124 N 4.4664 7.7228 120.9053 51.8131 36.6067 174.5691 125 E 3.8866 8.0755 125.4436 58.9459 30.1333 177.9287 126 T 3.7866 7.7676 115.0888 66.5789 68.5229 176.3399 127 A 3.8229 8.2226 122.5749 55.0077 18.3241 179.6435 128 I 3.5791 7.9599 118.5920 64.8621 37.1642 177.9852 129 H 4.0110 8.5035 119.3198 59.1741 29.6937 176.8841 130 F 3.9488 8.0235 122.2055 61.5495 39.2362 176.7047 131 Y 3.4011 7.5651 116.4105 60.7542 37.5345 178.7649 132 K 3.9240 7.9981 119.3064 59.4418 31.9107 179.2392 133 A 3.9228 7.7391 120.1863 54.7283 18.3372 178.9500 134 K 4.1337 7.2951 114.0787 56.6541 32.3271 177.9227 135 G 3.9687 7.8120 108.0219 44.9477 0.0000 173.9546 136 F 4.4324 8.0996 117.9239 57.4233 39.7443 175.0119 137 V 4.6598 8.9008 121.5727 60.8912 34.7004 174.5185 138 Q 3.9489 8.9615 129.1008 56.4322 28.9300 175.8272 139 V 4.4898 8.9332 118.1581 61.2017 34.3850 175.0211 140 E 4.8256 7.8989 119.6628 54.7701 33.6170 173.2491 141 E 5.1652 8.6003 123.1825 54.7453 32.8296 174.0119 142 F 4.9643 8.7244 119.7916 56.4441 41.9295 172.7437 143 T 4.8419 8.5639 116.7706 62.0829 69.7667 174.0851 144 E 4.5146 9.3291 128.7720 55.7212 31.4317 174.7041 145 D 5.0750 8.8341 126.3510 53.3016 42.2556 175.6611 146 F 4.6423 9.8112 130.2523 57.1273 39.4077 174.4294 147 Y 3.6246 9.1980 127.4350 58.6670 35.4335 172.4841 148 G 3.9884 8.9403 107.5725 45.3588 0.0000 173.7870 149 Y 4.6173 8.3051 118.5729 55.6579 39.5065 173.0291 150 P 4.9782 0.0000 0.0000 62.7659 32.8083 175.6841 151 L 4.7009 9.0393 123.1461 52.7172 44.8282 175.5923 152 E 4.3534 8.7042 124.7770 56.4833 30.7570 176.2972 153 T 4.8181 8.6300 121.2388 61.5728 72.3909 172.8663 154 I 4.6287 8.6648 126.5481 59.4435 40.0373 174.3747 155 R 5.0816 8.6983 127.3968 54.7515 32.1044 174.9099 156 F 5.5274 9.3632 124.7096 55.7597 42.9891 173.8050 157 N 5.1359 9.2004 117.0116 51.0751 41.2750 172.7130 158 L 4.3745 7.6464 120.6887 52.7159 44.9582 176.1283 159 N 4.7705 8.2954 123.2779 53.0327 40.0428 173.5435 160 H 4.3752 7.8365 117.5004 55.3940 28.4346 172.8503 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 0 A 8.26 4.20 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 *2 D 8.25 4.45 0.00 2.67 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 3 F 7.56 5.12 0.00 3.13 2.98 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 4 H 9.51 5.14 0.00 3.12 3.19 0.00 5.58 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 5 I 8.50 5.25 2.03 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.10 1.10 0.00 0.00 6 R 8.86 4.78 0.00 1.91 2.04 0.00 2.84 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 7 K 8.65 4.88 0.00 1.75 2.03 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.06 1.32 7.81 8 A 9.40 4.64 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 9 T 9.30 4.69 4.26 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 1.25 0.00 0.00 10 N 8.75 4.25 0.00 2.76 2.78 0.00 0.00 6.81 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 7.41 4.23 0.00 3.91 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 12 D 8.18 4.55 0.00 2.79 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 A 7.85 3.81 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 14 E 8.15 3.84 0.00 2.04 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 2.38 2.41 0.00 15 A 7.89 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 16 I 7.92 3.48 1.73 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 1.17 0.63 0.00 0.00 0.00 17 Q 8.21 3.92 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 18 H 8.28 4.09 0.00 3.28 3.50 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.99 3.52 2.49 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 1.20 0.00 0.00 1.09 0.00 0.00 20 A 8.19 3.51 0.56 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 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.93 3.64 4.17 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 1.04 0.00 0.00 22 T 7.96 3.84 4.14 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 1.18 0.00 0.00 23 S 8.36 4.12 0.00 4.00 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 24 W 8.64 4.23 0.00 3.47 3.53 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 0.00 0.00 0.00 0.00 25 H 8.22 4.66 0.00 3.19 3.41 0.00 5.64 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.40 4.37 0.00 3.33 3.48 0.00 5.77 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.12 3.87 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 1.14 0.00 0.00 28 Y 7.84 4.35 0.00 3.04 2.83 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 29 Q 7.53 3.96 0.00 2.21 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 30 D 7.96 4.80 0.00 2.64 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 31 L 8.19 4.61 0.00 1.75 1.71 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.33 4.24 1.80 0.00 0.00 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 1.37 0.55 0.82 0.00 0.00 33 P 0.00 4.38 0.00 2.20 1.98 0.00 2.91 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 34 S 8.61 4.23 0.00 3.96 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 35 D 8.07 4.47 0.00 2.86 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.56 3.21 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 0.71 0.00 0.00 0.90 0.00 0.00 37 Q 8.02 4.16 0.00 2.48 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.62 2.71 0.00 38 D 8.72 4.36 0.00 2.80 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 39 D 7.85 4.27 0.00 2.60 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 0.00 0.00 0.00 40 F 8.02 4.31 0.00 3.50 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 41 L 8.05 3.95 0.00 1.79 1.60 0.83 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.21 3.85 0.00 1.82 1.93 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.41 7.81 43 R 7.63 3.71 0.00 1.52 0.88 0.00 3.22 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.61 0.00 44 F 7.59 4.52 0.00 2.40 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 7.63 4.47 0.00 3.01 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.76 4.54 0.00 2.90 3.01 0.00 0.00 5.79 7.68 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 47 V 8.09 3.39 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 0.92 0.00 0.00 0.85 0.00 0.00 48 E 8.00 3.82 0.00 2.01 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 2.37 0.00 49 T 8.17 3.80 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 1.09 0.00 0.00 50 L 7.85 3.76 0.00 1.63 1.42 0.90 0.60 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 51 H 8.26 4.26 0.00 3.28 3.28 0.00 5.64 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 52 N 8.06 4.34 0.00 2.87 2.86 0.00 0.00 7.08 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.18 4.01 0.00 1.94 2.25 0.00 3.15 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 54 I 7.76 3.67 1.88 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.36 0.87 0.00 0.00 55 S 8.15 4.28 0.00 4.03 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 56 A 7.70 4.65 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 57 T 7.47 4.66 4.29 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 1.28 0.00 0.00 58 P 0.00 3.26 0.00 2.01 0.74 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 59 F 8.51 5.20 0.00 2.97 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 60 A 9.55 5.66 1.66 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 0.00 0.00 0.00 0.00 0.00 0.00 61 V 9.27 5.09 2.24 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 0.88 0.00 0.00 1.13 0.00 0.00 62 L 8.99 5.21 0.00 1.79 1.68 0.99 0.62 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 63 E 9.41 5.26 0.00 2.12 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 2.24 2.27 0.00 64 Q 9.33 4.78 0.00 2.23 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.01 0.00 0.00 0.00 0.00 0.00 2.30 2.65 0.00 65 A 9.54 3.58 1.34 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 66 D 8.50 4.67 0.00 2.81 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 67 K 7.79 4.57 0.00 1.81 1.77 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.35 7.81 68 V 8.56 4.16 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 1.03 0.00 0.00 1.04 0.00 0.00 69 I 8.70 4.55 1.87 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 1.29 0.82 0.94 0.00 0.00 70 G 7.95 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 0.00 0.00 0.00 0.00 71 F 8.30 5.65 0.00 3.44 3.28 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 72 A 9.40 4.98 1.07 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 73 N 8.80 4.72 0.00 1.61 2.33 0.00 0.00 6.91 8.09 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 74 F 8.70 5.55 0.00 2.89 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.90 4.79 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.41 0.94 0.00 0.00 76 E 8.84 4.59 0.00 1.90 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 2.35 2.45 0.00 77 L 8.45 4.98 0.00 1.54 1.50 0.84 0.74 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 78 E 8.56 4.04 0.00 2.14 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 2.32 2.31 0.00 79 K 9.11 3.53 0.00 1.95 1.99 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.33 1.36 7.81 80 G 8.43 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 81 K 7.53 4.94 0.00 1.91 1.93 0.00 1.56 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.64 7.81 82 S 9.22 5.31 0.00 3.84 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 83 E 9.32 4.93 0.00 2.06 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 2.26 2.45 0.00 84 L 9.24 4.47 0.00 1.77 1.71 0.84 0.91 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 85 A 8.85 4.37 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.72 4.76 1.65 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 87 F 7.97 4.51 0.00 2.87 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 88 Y 7.73 4.50 0.00 2.13 2.57 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 89 L 8.12 5.02 0.00 1.29 1.37 0.67 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.62 4.04 0.00 1.66 1.77 0.95 1.29 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 91 P 0.00 4.19 0.00 2.02 1.86 0.00 3.54 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 92 E 8.06 4.07 0.00 1.91 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 2.36 0.00 93 V 7.61 4.33 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 0.70 0.00 0.00 0.97 0.00 0.00 94 T 7.26 4.02 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 1.07 0.00 0.00 95 Q 8.60 3.69 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 96 R 7.58 4.38 0.00 1.73 1.82 0.00 3.08 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.73 0.00 97 G 8.21 3.99 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 0.00 0.00 0.00 98 L 7.25 3.92 0.00 1.56 1.43 0.73 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.92 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 8.16 4.11 4.49 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 0.00 0.00 0.00 1.27 0.00 0.00 101 E 7.92 4.07 0.00 2.25 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 2.59 2.72 0.00 102 L 8.21 4.13 0.00 1.82 2.03 1.09 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.30 4.38 0.00 1.90 2.11 1.17 1.04 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 E 8.39 4.18 0.00 2.14 2.05 0.00 0.00 0.00 0.00 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2.19 1.77 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 0.00 132 K 8.00 3.92 0.00 1.75 1.83 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.21 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.57 1.55 7.81 133 A 7.74 3.92 1.13 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 0.00 0.00 134 K 7.30 4.13 0.00 1.93 1.77 0.00 1.38 0.00 0.00 1.50 0.00 0.00 2.74 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.67 0.55 7.81 135 G 7.81 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 0.00 0.00 0.00 136 F 8.10 4.43 0.00 2.66 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.90 4.66 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 1.04 0.00 0.00 0.96 0.00 0.00 138 Q 8.96 3.95 0.00 1.62 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.63 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 139 V 8.93 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 0.77 0.00 0.00 1.22 0.00 0.00 140 E 7.90 4.83 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 2.37 2.34 0.00 141 E 8.60 5.17 0.00 1.93 1.75 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 2.13 2.20 0.00 142 F 8.72 4.96 0.00 3.12 3.06 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 0.00 143 T 8.56 4.84 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 1.26 0.00 0.00 144 E 9.33 4.51 0.00 2.23 1.93 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 2.52 2.49 0.00 145 D 8.83 5.08 0.00 2.81 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 9.81 4.64 0.00 3.21 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 Y 9.20 3.62 0.00 3.16 3.10 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 0.00 148 G 8.94 3.99 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 0.00 0.00 0.00 149 Y 8.31 4.62 0.00 3.46 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.98 0.00 2.13 2.11 0.00 3.90 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 151 L 9.04 4.70 0.00 1.82 1.59 1.03 0.77 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 0.00 152 E 8.70 4.35 0.00 1.81 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 2.38 2.26 0.00 153 T 8.63 4.82 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 0.92 0.00 0.00 154 I 8.66 4.63 1.76 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 1.03 0.96 0.15 0.00 0.00 155 R 8.70 5.08 0.00 2.20 1.90 0.00 3.33 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.89 0.00 156 F 9.36 5.53 0.00 2.87 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 N 9.20 5.14 0.00 1.47 1.42 0.00 0.00 6.73 6.81 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 0.00 158 L 7.65 4.37 0.00 0.27 0.48 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 159 N 8.30 4.77 0.00 2.48 2.60 0.00 0.00 6.89 7.89 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 0.00 160 H 7.84 4.38 0.00 3.20 3.11 0.00 5.61 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.