NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8396 8.4545 109.7364 45.4948 0.0000 172.1688 3 R 3.9658 8.3428 123.2013 56.3191 31.6885 175.8374 *4 Y 3.1963 10.3413 123.8637 56.3660 36.7077 166.2085 5 I 3.2273 9.3804 124.7567 61.3037 35.3710 175.7832 6 G 3.7358 8.7518 117.5620 43.9906 0.0000 170.1576 7 P 4.2027 0.0000 0.0000 63.8019 30.8418 172.6635 8 V 4.3381 8.1830 124.2273 64.4246 33.4688 177.0343 9 C 4.2705 8.2830 121.6295 60.7275 39.5840 179.0909 10 R 4.0376 8.0248 121.3003 61.8653 29.3682 184.3188 11 L 4.3947 10.1946 123.2110 60.7516 40.7026 183.2904 12 C 4.3613 8.4307 122.4048 61.1265 35.9275 179.0459 13 R 3.8466 8.4806 125.6465 61.3787 28.6794 181.5990 14 R 4.2864 7.9212 121.3921 62.2653 29.7907 183.1222 15 E 4.4305 8.1690 117.1255 58.0344 29.7893 180.4115 16 G 4.1778 7.7726 107.0651 47.3127 0.0000 174.7044 17 V 4.4543 7.2559 118.1906 58.7811 34.8745 181.6320 18 K 4.2032 8.6814 125.1538 55.3380 31.9809 178.1452 19 L 4.8227 8.5282 126.6559 52.3633 43.7132 173.9129 *20 Y 4.4275 8.3589 124.7876 55.2802 35.5323 173.8988 21 L 4.7508 8.1502 124.0918 54.0333 41.9404 177.9566 22 K 4.6283 7.5207 116.8062 53.7600 35.4789 182.2353 23 G 4.0560 8.7675 109.8441 48.3178 0.0000 177.3124 24 E 4.0947 9.0043 121.5206 57.1922 31.1665 178.0185 25 R 3.9545 8.4765 113.8881 60.2378 28.3365 175.3839 26 C 4.4916 8.1562 115.9007 56.0187 40.2973 177.2746 *27 Y 4.4297 11.3700 120.8775 59.4888 38.8145 179.9187 28 S 4.6161 7.7733 118.1480 56.8334 63.6518 174.0919 29 P 4.8634 0.0000 0.0000 62.7528 28.2668 177.7620 30 K 4.4218 7.6772 122.8174 55.5849 35.9782 178.1423 31 C 4.4857 7.8927 111.5737 56.1321 36.8896 179.3012 32 A 4.0884 8.5945 133.1946 55.2399 17.2480 181.5559 33 M 3.9613 8.1609 111.6474 56.5623 31.3207 178.5712 34 E 4.3757 8.4292 118.2222 56.4932 30.1874 181.6658 35 R 3.8898 8.4552 128.4662 55.5778 25.7745 175.0197 36 R 5.6309 7.3630 130.4844 57.6642 32.5584 176.6792 37 P 4.5392 0.0000 0.0000 64.7484 31.1324 179.1815 *38 Y 4.2591 7.3433 117.9180 56.9015 37.6826 179.7579 39 P 4.6559 0.0000 0.0000 61.4038 31.2897 174.7832 40 P 4.8434 0.0000 0.0000 62.1517 31.8453 175.1087 41 G 3.8220 8.7020 103.8786 46.8876 0.0000 174.0565 42 Q 4.3494 8.4521 117.7305 56.3989 28.5456 172.5850 *43 H 4.9993 7.8782 112.1156 54.9359 30.2939 180.1649 44 G 4.3254 8.4344 112.5940 49.4842 0.0000 175.7913 45 Q 4.1627 8.0425 118.8931 56.7952 28.7728 179.9270 46 K 4.1797 7.4997 118.9274 55.7341 32.0323 181.2442 47 R 4.4964 8.2353 113.2530 56.5972 30.5449 171.8303 48 A 4.4944 8.4482 127.0593 51.2415 20.0525 177.7031 49 R 4.3418 8.3941 122.5286 54.9192 30.8443 175.4256 50 R 3.8692 8.7451 122.5568 55.7150 29.0888 174.1573 51 P 4.4317 0.0000 0.0000 62.1244 31.5567 173.5043 52 S 4.6534 8.4638 117.4546 57.9742 63.5773 176.6069 53 D 4.7224 8.9693 127.0755 59.8487 39.1574 180.3544 *54 Y 4.1973 7.8571 120.2795 61.7025 36.9408 180.4989 55 A 4.2301 8.5314 125.4843 55.8321 18.5539 180.5107 56 V 3.7084 7.9345 119.7425 67.0707 31.4890 180.7406 57 R 4.2749 7.6881 122.6488 62.2975 29.4025 181.1938 58 L 4.3766 8.3864 125.5883 59.5957 40.8408 181.8257 59 R 4.1947 8.9965 124.0962 62.3616 29.3049 181.5438 60 E 4.3318 8.8816 121.5320 60.8520 29.4941 181.7319 61 K 4.3394 8.6823 125.2727 60.8603 32.1780 184.5756 62 Q 4.4109 8.3200 124.0408 60.8924 27.8178 181.1253 63 K 4.4354 8.1740 126.1356 59.4755 31.5787 184.6173 64 L 4.2057 7.8959 126.9284 60.3209 41.3554 182.6229 65 R 4.3364 8.5242 124.3449 61.9728 29.6856 181.5547 66 R 4.5183 8.1061 123.8415 61.4296 29.0386 181.3469 67 I 4.2103 7.7598 119.8677 65.5698 35.6243 182.8022 *68 Y 4.7215 8.3170 118.7068 57.3631 38.9874 179.4543 69 G 4.1769 7.3683 106.9652 47.8934 0.0000 173.2017 70 I 4.6641 7.3137 118.9002 58.5077 40.2241 177.4874 71 S 4.4076 8.4876 120.3709 58.4388 63.0616 176.6805 72 E 4.3563 9.0582 124.7355 61.9539 28.9273 180.3320 73 R 4.2176 8.0810 121.4862 62.6352 29.4298 184.0368 74 Q 4.3177 8.0795 123.4442 60.3025 27.9651 181.2921 *75 F 4.4459 8.5840 123.6590 63.6995 38.1061 181.7769 76 R 4.1565 8.7840 123.6417 61.8879 28.8853 181.1401 77 N 4.4361 8.4636 120.8424 58.2195 38.0000 180.0064 78 L 4.3027 7.9087 125.7176 59.7877 41.0724 182.4341 *79 F 4.2594 8.7083 124.2817 62.6678 37.9159 180.0147 80 E 4.2276 8.4531 120.9284 61.8693 29.3369 181.2457 81 E 4.0868 8.1698 118.2888 61.2426 29.7613 180.8380 82 A 3.8783 9.6169 121.9602 55.3977 17.8868 182.1660 83 S 3.9324 7.3786 120.7357 62.0254 63.8997 178.8425 84 K 4.4238 7.9927 128.3927 58.9066 31.8622 180.5008 85 K 4.4097 8.6414 122.8779 54.3985 32.3431 180.3839 86 K 4.0863 8.2892 122.5028 55.7108 32.2084 176.7060 87 G 3.8215 8.8696 110.1403 44.1665 0.0000 174.7397 88 V 3.6519 8.7835 118.0098 62.3925 30.7279 177.7584 89 T 3.8594 8.2625 118.0185 62.9426 70.4758 172.8833 90 G 3.4738 8.6131 105.6059 49.1106 0.0000 175.9827 91 S 4.1904 9.7254 123.4213 64.3363 62.8097 178.8922 92 V 3.9105 7.9863 125.4136 66.8006 31.1285 180.6565 *93 F 4.2920 8.6084 123.3418 62.3317 37.8064 180.2924 94 L 4.2857 8.1255 122.2450 60.3378 40.4653 181.3352 95 G 4.1375 8.6241 106.4329 48.5701 0.0000 175.6873 96 L 4.2128 8.2534 126.3925 59.6125 41.2662 182.1467 97 L 4.2938 8.1561 125.7012 60.1708 40.5594 181.2247 98 E 4.7250 8.7308 118.3464 59.1887 30.0548 180.2516 99 S 4.9276 9.5304 120.6888 60.7003 62.9758 179.5136 100 R 4.6163 7.3500 122.8951 57.3385 30.0040 182.6465 101 L 4.1719 9.2299 127.4784 57.6046 40.9776 177.0736 102 D 4.8341 8.3000 122.6062 58.5966 38.9251 180.9750 103 N 4.8610 7.9721 119.9500 58.2564 38.2310 182.6921 104 V 4.4501 8.5582 125.5098 66.8337 30.1363 181.3552 105 V 4.0103 8.5513 121.5724 65.9328 31.2913 181.2372 *106 Y 4.2263 9.3374 121.9084 63.2941 36.7869 183.9605 107 R 4.1053 8.0739 120.1904 59.5406 29.5906 180.2141 108 L 4.2169 7.9497 116.1850 55.1077 41.3585 180.0239 109 G 4.1105 8.6815 108.8841 46.9697 0.0000 176.5870 *110 F 3.9087 6.9639 114.9941 59.1530 38.0746 180.3097 111 A 4.7903 8.1626 123.0810 50.9572 22.3264 177.7868 112 V 3.5679 8.5258 119.9736 64.9067 31.9366 177.3453 113 S 5.0180 7.7453 119.1115 59.0700 67.3141 179.1525 114 R 4.1557 8.7762 122.8320 63.7912 28.7188 177.7945 115 R 4.2867 8.0628 122.3610 62.3028 29.5098 181.3631 116 Q 4.2011 8.1260 120.7955 59.9651 28.1683 180.2713 117 A 4.3191 8.2569 125.4261 55.4733 18.3680 180.2903 118 R 3.9509 9.1745 122.4005 62.5216 29.3538 181.4313 119 Q 4.2312 8.4918 124.0755 60.8335 28.1305 181.3463 120 L 4.2212 8.5163 127.0917 60.2934 40.7780 182.6669 121 V 3.9240 8.0636 122.5638 66.4239 31.6766 180.9672 122 R 4.4447 7.9577 124.0293 62.3694 29.0475 180.7655 *123 H 4.6747 8.2003 115.4864 56.0403 28.0794 177.2543 124 G 4.0443 7.9463 110.3843 49.0504 0.0000 174.9914 *125 H 4.8603 8.4489 117.8864 55.2677 29.5073 177.5806 126 I 5.1011 7.6789 120.0418 60.8063 40.3062 179.5636 127 T 4.8618 9.3930 117.1187 61.4222 73.2511 175.3838 128 V 4.8944 8.0453 122.2587 60.5325 34.7506 177.6008 129 N 4.4307 8.9082 122.5288 51.1138 35.5445 171.3176 130 G 3.9226 7.5056 111.9176 47.8588 0.0000 175.9666 131 R 4.0306 8.1581 124.8217 55.4921 29.4764 179.0417 132 R 4.1797 8.4805 124.0226 55.6335 29.9467 173.8917 133 V 4.3678 8.0620 116.2801 61.4860 34.4369 175.6411 134 D 5.6092 8.8181 126.2554 52.0719 39.9696 173.0081 135 L 4.6104 7.7824 123.2446 53.5128 42.1262 178.4510 136 P 4.4160 0.0000 0.0000 65.2318 30.9036 176.2532 137 S 4.3177 8.0763 112.8200 59.1808 61.8764 175.9884 *138 Y 4.2465 8.0846 125.9089 59.0137 37.6971 179.4350 139 R 4.8369 8.6816 128.0616 55.5962 30.2309 174.2246 140 V 3.8762 9.2405 128.6478 61.0674 31.7559 173.6899 141 R 4.3755 8.6349 126.2598 53.4046 31.1341 171.3462 142 P 5.0020 0.0000 0.0000 66.8533 30.0740 176.4238 143 G 3.9217 8.7024 115.4906 44.9301 0.0000 172.3308 144 D 4.9270 8.0880 123.9213 52.1271 42.0321 180.4305 145 E 4.1929 8.9839 125.5245 56.5562 30.9898 173.2463 146 I 5.0862 8.7931 125.4092 57.8695 36.1153 172.4936 147 A 4.6806 8.7844 134.0461 51.1118 21.3166 176.8259 148 V 4.5617 7.7384 117.5437 59.9456 32.8822 174.8147 149 A 3.9357 9.5126 130.0598 52.7811 18.7695 178.6088 150 E 3.9365 9.5119 122.0056 59.9750 29.6915 176.5273 151 K 4.4519 8.1842 118.9221 55.7034 31.8744 179.7334 152 S 4.7106 9.3159 118.9319 60.0410 64.7142 181.5713 153 R 4.1191 7.7275 118.8667 59.3317 29.1112 181.9083 154 N 4.9115 8.0150 113.9784 53.3752 38.6445 181.4674 155 L 4.4729 8.4013 125.8011 57.3524 43.0073 182.6181 156 E 4.1996 8.8644 125.1117 61.4188 29.9749 179.0798 157 L 4.2207 8.1515 125.4750 60.2250 40.8186 182.2765 158 I 3.9985 7.8086 122.8812 65.5040 35.6349 180.4596 159 R 4.1902 8.0565 125.4868 62.0611 28.9243 180.9233 160 Q 4.2740 8.4932 123.0667 60.9391 28.1772 181.0669 161 N 4.7412 8.0529 123.3569 58.0864 37.7106 179.6558 162 L 4.2829 8.1176 127.2248 59.7575 40.9672 181.6015 163 E 4.1695 8.7046 119.2509 61.2463 29.4026 180.9023 164 A 4.6685 7.6959 120.9330 53.8386 19.1723 179.3446 165 M 4.4888 8.6348 122.0635 58.1388 31.9595 180.5945 166 K 4.4974 7.2475 118.1621 56.7032 31.0661 179.4444 167 G 3.6574 9.1848 119.2694 45.8706 0.0000 173.2317 168 R 3.8054 7.8291 123.6193 56.4213 29.2797 179.1871 169 K 4.3698 8.6212 127.4503 54.0586 32.6296 173.3787 170 V 4.6210 7.8141 113.3203 59.3561 35.4391 174.6708 171 G 3.9270 8.7531 111.1747 46.6050 0.0000 173.4090 172 P 4.3439 0.0000 0.0000 63.7764 30.2570 175.5628 *173 W 4.7431 7.9739 122.0321 58.1428 30.1663 180.0639 174 L 4.8002 8.0432 124.1846 55.5933 45.2848 179.8459 175 S 4.7251 8.1482 112.7346 60.4477 65.9920 173.2995 176 L 5.1657 8.7673 125.9771 53.8697 45.6386 176.5804 177 D 4.8575 9.3332 121.8759 52.9424 40.1531 177.8260 178 V 3.5927 8.5805 124.8403 63.9839 31.5747 177.5297 179 E 4.0648 7.8226 115.0901 59.1963 29.9574 181.6796 180 G 4.0334 8.1180 109.0156 45.7509 0.0000 173.8878 181 M 3.1739 7.4758 118.9903 55.9521 29.3005 180.1927 182 K 4.6599 7.5911 123.1659 53.5989 36.7728 177.7823 183 G 4.3487 8.0696 104.6398 48.0792 0.0000 173.9536 184 K 4.8723 8.3513 131.3552 55.0556 34.4438 173.5241 *185 F 4.6992 8.0774 123.5172 56.6753 37.0464 177.5345 186 L 4.0246 8.4401 129.0587 57.2469 40.7348 177.8020 187 R 4.5118 7.6951 117.5723 56.0081 34.0688 176.8222 188 L 3.8896 8.9349 122.3106 55.1407 41.0591 177.4364 189 P 4.4051 0.0000 0.0000 61.7920 31.5179 172.6395 190 D 4.8401 9.0090 124.2357 52.3940 41.4021 177.1578 191 R 3.7436 8.1436 124.2137 59.3851 30.3841 177.7067 192 E 3.9829 8.2762 116.4547 59.3912 29.8638 180.2477 193 D 4.5294 8.3758 121.1487 55.9497 40.0245 179.9687 194 L 4.5910 7.4110 116.9719 53.1585 42.6899 181.6315 195 A 4.6039 8.4283 130.4064 50.4369 17.9605 176.7496 196 L 4.4740 7.5009 123.7180 52.5502 43.3821 178.3705 197 P 4.6751 0.0000 0.0000 61.3158 29.6895 173.3362 198 V 4.6639 7.2918 119.4411 59.9516 36.6578 178.1429 199 N 5.0828 8.2353 115.1340 51.1762 38.1378 175.4091 200 E 4.1630 8.3289 124.2442 61.1601 30.0730 179.8981 201 Q 4.5430 8.1258 119.6097 59.9391 28.3625 183.0415 202 L 4.7566 9.4088 124.5083 59.7376 42.1556 184.7378 203 V 3.9501 8.0060 122.4353 66.9304 31.5123 180.5158 204 I 4.2229 7.7784 122.3534 66.0113 35.2473 180.5387 205 E 4.3279 8.1101 122.0988 61.4341 29.1494 182.1084 *206 F 4.4281 9.1485 123.0802 62.6621 37.8120 181.4346 *207 Y 4.8414 7.6421 120.9377 59.7305 36.8734 179.5655 208 S 4.9696 7.4833 120.8101 61.6240 63.1965 178.6683 209 R 4.3660 7.5034 124.1040 57.4772 29.2299 181.1412 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 G 8.45 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 0.00 0.00 0.00 3 R 8.34 3.97 0.00 1.93 1.75 0.00 3.42 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.26 0.00 *4 Y 10.34 3.20 0.00 2.44 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 0.00 0.00 0.00 5 I 9.38 3.23 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 1.35 0.98 0.91 0.00 0.00 6 G 8.75 3.74 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 0.00 0.00 0.00 7 P 0.00 4.20 0.00 2.10 1.88 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.61 0.00 8 V 8.18 4.34 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 0.93 0.00 0.00 9 C 8.28 4.27 0.00 2.82 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 10 R 8.02 4.04 0.00 1.90 1.87 0.00 3.23 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.26 0.00 11 L 10.19 4.39 0.00 1.65 1.70 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.43 4.36 0.00 2.82 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 13 R 8.48 3.85 0.00 1.80 1.97 0.00 3.23 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 14 R 7.92 4.29 0.00 1.92 1.87 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 15 E 8.17 4.43 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 2.31 1.94 0.00 16 G 7.77 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 0.00 0.00 0.00 0.00 17 V 7.26 4.45 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 0.75 0.00 0.00 0.93 0.00 0.00 18 K 8.68 4.20 0.00 1.77 1.65 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.36 1.00 7.81 19 L 8.53 4.82 0.00 1.62 1.43 0.92 0.79 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 *20 Y 8.36 4.43 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.15 4.75 0.00 1.63 1.54 0.92 0.72 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 22 K 7.52 4.63 0.00 1.70 1.64 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 0.98 7.81 23 G 8.77 4.06 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 0.00 24 E 9.00 4.09 0.00 2.00 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 2.23 1.87 0.00 25 R 8.48 3.95 0.00 1.87 1.92 0.00 3.24 0.00 0.00 3.37 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.17 0.00 26 C 8.16 4.49 0.00 2.72 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 *27 Y 11.37 4.43 0.00 2.27 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 0.00 0.00 0.00 28 S 7.77 4.62 0.00 3.65 3.76 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 29 P 0.00 4.86 0.00 2.08 1.92 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.60 0.00 30 K 7.68 4.42 0.00 1.61 1.73 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 0.91 7.81 31 C 7.89 4.49 0.00 2.70 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 32 A 8.59 4.09 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 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0.00 0.00 0.00 0.00 1.55 1.20 0.00 108 L 7.95 4.22 0.00 1.66 1.60 0.92 0.81 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 0.00 109 G 8.68 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 *110 F 6.96 3.91 0.00 2.28 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 0.00 0.00 0.00 0.00 111 A 8.16 4.79 1.21 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 0.00 0.00 112 V 8.53 3.57 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 0.73 0.00 0.00 0.93 0.00 0.00 113 S 7.75 5.02 0.00 3.56 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 8.78 4.16 0.00 1.81 1.95 0.00 3.26 0.00 0.00 3.37 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.29 0.00 115 R 8.06 4.29 0.00 1.80 2.01 0.00 3.22 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.31 0.00 116 Q 8.13 4.20 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.00 0.00 117 A 8.26 4.32 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 118 R 9.17 3.95 0.00 1.83 1.97 0.00 3.29 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 119 Q 8.49 4.23 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 120 L 8.52 4.22 0.00 1.59 1.74 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.06 3.92 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 0.71 0.00 0.00 0.93 0.00 0.00 122 R 7.96 4.44 0.00 1.83 1.97 0.00 3.24 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 *123 H 8.20 4.67 0.00 2.99 2.98 0.00 7.32 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.95 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 0.00 0.00 0.00 0.00 *125 H 8.45 4.86 0.00 2.62 3.04 0.00 7.15 0.00 0.00 0.00 0.00 6.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.68 5.10 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 1.20 0.68 0.91 0.00 0.00 127 T 9.39 4.86 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 0.00 128 V 8.05 4.89 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 0.51 0.00 0.00 0.93 0.00 0.00 129 N 8.91 4.43 0.00 2.93 2.90 0.00 0.00 7.05 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 7.51 3.92 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 0.00 0.00 0.00 131 R 8.16 4.03 0.00 1.75 1.85 0.00 3.27 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 132 R 8.48 4.18 0.00 1.82 1.77 0.00 3.10 0.00 0.00 3.92 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.17 0.00 133 V 8.06 4.37 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 0.86 0.00 0.00 0.93 0.00 0.00 134 D 8.82 5.61 0.00 2.68 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 0.00 135 L 7.78 4.61 0.00 1.65 1.49 0.92 0.87 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 0.00 136 P 0.00 4.42 0.00 1.99 2.08 0.00 3.70 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 2.02 1.59 0.00 137 S 8.08 4.32 0.00 3.62 3.77 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 *138 Y 8.08 4.25 0.00 2.02 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 0.00 0.00 0.00 0.00 139 R 8.68 4.84 0.00 1.59 1.77 0.00 3.23 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.20 0.00 140 V 9.24 3.88 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 0.80 0.00 0.00 0.93 0.00 0.00 141 R 8.63 4.38 0.00 1.72 1.82 0.00 3.22 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.18 0.00 142 P 0.00 5.00 0.00 2.08 1.93 0.00 3.59 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.55 0.00 143 G 8.70 3.92 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 0.00 0.00 0.00 144 D 8.09 4.93 0.00 2.39 2.56 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 0.00 145 E 8.98 4.19 0.00 1.65 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 2.31 1.89 0.00 146 I 8.79 5.09 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 1.16 1.24 0.91 0.00 0.00 147 A 8.78 4.68 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 0.00 148 V 7.74 4.56 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 0.72 0.00 0.00 0.93 0.00 0.00 149 A 9.51 3.94 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 0.00 150 E 9.51 3.94 0.00 1.90 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 2.33 1.91 0.00 151 K 8.18 4.45 0.00 1.77 1.73 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.00 7.81 152 S 9.32 4.71 0.00 3.61 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 0.00 153 R 7.73 4.12 0.00 1.78 1.89 0.00 3.20 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 0.00 154 N 8.02 4.91 0.00 2.71 2.70 0.00 0.00 6.63 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 0.00 155 L 8.40 4.47 0.00 1.60 1.57 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.86 4.20 0.00 1.97 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 2.32 1.95 0.00 157 L 8.15 4.22 0.00 1.64 1.74 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 158 I 7.81 4.00 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 1.50 0.54 0.91 0.00 0.00 159 R 8.06 4.19 0.00 1.83 1.99 0.00 3.26 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 160 Q 8.49 4.27 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 161 N 8.05 4.74 0.00 2.76 2.85 0.00 0.00 7.23 5.95 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 0.00 162 L 8.12 4.28 0.00 1.66 1.71 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 163 E 8.70 4.17 0.00 1.91 2.02 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 2.26 2.23 0.00 164 A 7.70 4.67 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 0.00 165 M 8.63 4.49 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 166 K 7.25 4.50 0.00 1.82 1.71 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.29 7.81 167 G 9.18 3.66 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 0.00 168 R 7.83 3.81 0.00 1.85 1.79 0.00 3.27 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.46 0.00 169 K 8.62 4.37 0.00 1.77 1.65 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.00 7.81 170 V 7.81 4.62 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 0.93 0.00 0.00 0.93 0.00 0.00 171 G 8.75 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 0.00 172 P 0.00 4.34 0.00 2.10 1.96 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.59 0.00 *173 W 7.97 4.74 0.00 2.15 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 0.00 0.00 0.00 0.00 174 L 8.04 4.80 0.00 1.32 1.43 0.92 0.74 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 0.00 175 S 8.15 4.73 0.00 3.35 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 L 8.77 5.17 0.00 1.36 1.40 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 177 D 9.33 4.86 0.00 2.27 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 0.00 178 V 8.58 3.59 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 0.86 0.00 0.00 0.93 0.00 0.00 179 E 7.82 4.06 0.00 1.89 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 2.31 1.88 0.00 180 G 8.12 4.03 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 0.00 181 M 7.48 3.17 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 182 K 7.59 4.66 0.00 1.42 1.69 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.26 1.22 7.81 183 G 8.07 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 K 8.35 4.87 0.00 1.49 1.69 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.25 7.81 *185 F 8.08 4.70 0.00 1.80 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 0.00 0.00 0.00 0.00 186 L 8.44 4.02 0.00 1.42 1.65 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 187 R 7.70 4.51 0.00 1.55 1.65 0.00 3.26 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.36 0.00 188 L 8.93 3.89 0.00 1.65 1.54 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 189 P 0.00 4.41 0.00 2.08 1.87 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.59 0.00 190 D 9.01 4.84 0.00 2.59 2.56 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 0.00 191 R 8.14 3.74 0.00 1.75 1.90 0.00 3.22 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 192 E 8.28 3.98 0.00 1.98 1.89 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 2.23 1.88 0.00 193 D 8.38 4.53 0.00 2.65 2.66 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 0.00 194 L 7.41 4.59 0.00 1.62 1.47 0.92 1.26 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 0.00 195 A 8.43 4.60 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 L 7.50 4.47 0.00 1.67 1.46 0.92 0.91 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 0.00 197 P 0.00 4.68 0.00 2.08 1.91 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.58 0.00 198 V 7.29 4.66 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 0.91 0.00 0.00 0.93 0.00 0.00 199 N 8.24 5.08 0.00 2.58 2.68 0.00 0.00 6.65 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 0.00 200 E 8.33 4.16 0.00 1.96 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 2.32 1.97 0.00 201 Q 8.13 4.54 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.83 0.00 0.00 0.00 0.00 0.00 2.28 1.99 0.00 202 L 9.41 4.76 0.00 1.64 1.67 0.92 0.89 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 0.00 203 V 8.01 3.95 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 0.75 0.00 0.00 0.93 0.00 0.00 204 I 7.78 4.22 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 1.38 0.53 0.91 0.00 0.00 205 E 8.11 4.33 0.00 1.96 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 2.25 2.21 0.00 *206 F 9.15 4.43 0.00 2.18 2.32 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 *207 Y 7.64 4.84 0.00 2.44 2.19 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 0.00 208 S 7.48 4.97 0.00 3.64 3.75 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 0.00 209 R 7.50 4.37 0.00 1.87 1.72 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.44 0.00 * Residues marked with a * may have inaccurate shift predictions.