NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3365 8.0327 110.9471 61.0849 70.4546 174.2934 6 K 3.6609 8.6726 123.4826 58.9966 32.1308 176.9428 7 Q 4.2067 9.1802 120.7027 59.8194 29.0576 177.8859 8 E 3.9931 8.3978 118.0559 60.4086 29.8910 178.9932 9 I 3.8296 8.0510 118.3695 65.4566 37.2567 178.3767 10 V 3.7858 8.5846 112.9409 65.0311 31.3947 178.7849 11 E 4.0170 8.2013 117.5671 59.2195 29.3382 178.6825 12 N 4.3874 8.1002 116.1469 56.6162 39.5131 176.8387 13 W 4.4101 8.1762 119.8717 59.6434 29.2148 177.8964 14 L 4.1029 8.2109 120.4312 57.4322 41.9262 175.7780 15 P 5.3073 0.0000 0.0000 60.8126 30.4424 175.5855 16 R 4.9004 7.8000 117.1582 58.0870 37.7400 176.7327 17 Y 4.2041 8.3560 114.2829 60.3914 37.8526 177.2850 18 T 4.7954 7.8817 107.2737 59.8981 71.2958 173.8638 19 Q 4.4365 8.7399 123.7313 56.5391 29.1491 175.6791 20 R 4.3857 7.5058 114.9634 54.9430 31.7793 175.4866 21 Q 4.8706 8.4626 118.5819 54.1927 30.2752 177.1475 22 L 4.2120 8.7411 120.6165 58.3527 41.8321 179.7634 23 I 3.7970 7.7595 117.3049 63.4119 37.4312 176.4986 24 D 4.5683 8.5346 119.0258 55.4906 41.0348 176.7233 25 F 4.4534 7.6245 118.2266 56.9552 39.8823 175.3056 26 E 4.5808 9.0849 124.4229 55.0473 30.7431 175.4966 27 P 4.4706 0.0000 0.0000 64.4607 32.3932 175.2138 28 Y 5.2642 7.6999 119.1757 55.7996 36.8797 175.1834 29 I 4.0948 8.1151 122.2786 61.5723 39.4105 175.2300 30 L 5.1123 8.8844 125.7985 53.6341 45.2572 174.9383 31 L 5.4437 8.9011 126.4916 53.6457 44.7838 175.4742 32 T 4.8445 8.7657 115.2144 61.7788 71.2447 173.2046 33 N 4.7744 7.7545 122.4728 51.4722 37.8778 174.0107 34 F 5.1054 7.1756 118.5212 56.6838 39.9347 176.8800 35 S 4.1677 10.0850 123.6486 61.8441 62.6219 175.9106 36 H 4.1656 8.4710 120.4749 60.0868 29.3301 176.1090 37 Y 4.1056 8.1398 117.3560 61.4613 37.7122 178.8147 38 L 4.1416 8.4955 121.0990 58.0055 42.2717 178.4415 39 H 4.4132 8.7017 117.1049 58.5386 28.9042 177.4336 40 V 3.6013 7.9664 119.4507 67.0757 30.8808 176.8952 41 F 4.0651 8.0614 120.0184 59.9804 39.6025 176.3041 42 A 3.9586 8.6560 121.5923 54.7833 18.3967 178.9149 43 E 4.0708 7.9597 116.7899 58.7183 29.8943 177.9206 44 H 4.1208 7.8152 118.1209 58.6850 30.1431 175.3090 45 Y 4.4697 7.6123 114.5189 56.7515 39.9010 172.2112 46 G 3.9035 7.8165 116.2484 44.8368 0.0000 173.4375 47 V 4.4578 7.6396 128.1265 60.6375 32.6255 169.2914 48 P 4.4510 0.0000 0.0000 62.6238 32.1040 176.9075 49 I 4.1172 8.0340 121.6328 59.8231 36.1173 174.8765 50 V 3.5911 8.4250 125.4746 63.8980 32.1175 176.5155 51 G 4.1914 8.8318 116.1901 46.1635 0.0000 175.9475 52 E 3.9977 7.7708 118.2313 58.4043 30.1060 180.0443 53 H 5.0500 8.0812 114.1640 55.8267 29.3488 172.5806 54 T 4.7774 7.8612 109.1802 59.3421 71.9649 175.6774 55 S 4.1627 8.5563 111.7465 58.6708 62.4424 172.1126 *57 P 4.6107 0.0000 0.0000 63.2864 32.9572 175.1717 58 N 5.9332 9.0631 118.9271 52.0923 41.4207 173.6913 59 A 4.3778 8.2300 117.4152 51.4971 20.7207 176.2833 60 S 4.5878 8.8014 116.2010 59.4408 64.2801 172.9209 61 A 4.8506 9.2775 121.7009 53.2940 25.4691 178.0314 62 E 4.5035 8.2859 117.0842 56.6879 28.0622 177.8454 63 G 4.6287 9.2348 115.9867 45.7877 0.0000 171.9517 64 V 5.1593 7.7236 119.8486 60.3580 34.7464 174.4917 65 T 5.1207 8.5966 121.8248 61.6619 72.9866 172.4227 66 L 5.2044 8.4596 125.0906 53.4022 45.2136 174.8463 67 I 4.9744 8.8141 127.2343 59.5759 40.0439 174.1164 68 N 5.7425 9.6588 127.3070 51.9543 39.2049 174.9735 69 F 4.4974 8.6834 122.0955 56.9137 39.2361 177.2271 70 G 3.6280 7.3864 106.7597 45.6435 0.0000 173.6751 *72 G 3.7674 7.6826 105.9144 44.3104 0.0000 173.9454 73 S 4.0794 8.6283 118.7820 61.2871 62.5418 176.3221 74 A 4.0267 7.9145 123.1296 55.1054 18.1764 179.2431 75 N 4.3325 8.1783 114.4548 56.2196 38.5454 177.0709 76 A 3.1849 8.0944 121.5942 55.1584 18.4121 179.2539 77 A 3.8530 7.4507 117.3784 55.1697 18.8836 179.6576 78 T 3.9027 7.7360 114.6755 66.4286 68.3243 177.2974 79 I 3.5975 7.4486 112.8392 61.6331 37.2742 177.4719 *81 D 3.9667 8.0904 121.5862 54.9984 42.9668 177.6599 82 L 4.2101 7.6660 119.2275 57.4018 41.8367 178.7964 83 L 4.0902 8.5491 117.0004 55.7918 41.1223 178.8062 84 W 4.2644 7.9611 129.0985 59.8316 30.7644 177.5471 85 A 3.8737 7.8838 120.6337 55.2082 17.9376 179.4325 86 I 3.6110 7.4269 116.4716 62.2868 38.1602 175.9015 87 H 3.8688 7.7139 115.5254 55.6581 26.4896 172.9529 88 P 4.3278 0.0000 0.0000 63.2376 31.8738 176.7202 89 K 4.1864 8.0156 117.7609 57.1859 32.4655 176.9797 90 A 4.4625 6.9237 118.7308 51.2038 22.1691 175.4563 91 V 4.7814 8.5678 121.0329 60.3154 34.4596 174.6210 92 I 4.8539 8.5585 127.7749 59.4517 40.9157 173.9677 93 F 5.4675 8.8948 127.6103 56.5477 41.7361 173.8208 94 L 4.8632 8.5145 126.8582 53.3871 43.2503 176.1139 95 G 3.6907 8.0251 110.3578 45.2171 0.0000 171.1565 96 K 5.7084 8.8100 118.3409 54.6087 36.2329 174.8711 97 C 4.7590 8.3244 113.1254 56.9960 32.4438 174.5964 98 G 3.4247 10.3417 108.6582 48.8632 0.0000 174.3127 99 G 4.0387 8.1799 109.9349 46.5529 0.0000 173.6073 100 L 3.9878 7.8291 122.8733 58.1966 42.3455 179.1243 101 K 4.0455 7.7047 116.1759 58.3995 32.3102 177.6631 102 L 4.1293 6.8925 116.5878 54.3881 41.3804 176.9945 103 E 4.5406 7.8428 116.0703 56.3688 29.8039 176.0531 104 N 4.9943 7.7988 111.7464 53.5949 40.6952 174.2754 105 A 4.8960 7.8409 120.4320 51.1257 19.7256 177.1948 106 L 4.1510 8.0897 120.6886 58.1718 42.1620 176.3847 107 G 3.8761 8.4902 113.8622 45.9653 0.0000 174.0333 108 D 4.8512 8.2322 118.9144 54.8722 42.4017 175.4453 109 Y 5.0880 9.0208 117.6363 56.4465 41.2116 174.4319 110 L 5.2488 9.0995 125.4641 53.4474 44.6942 174.9495 111 L 4.6513 9.1876 130.6730 53.1302 43.1424 173.4430 112 P 5.1270 0.0000 0.0000 62.4030 31.6419 176.1145 113 I 4.1258 9.1688 125.5953 63.0321 38.6924 174.7838 114 A 4.7508 7.5628 121.2239 51.3307 22.5684 174.6151 115 A 4.9501 8.7648 120.6138 50.2287 22.3229 176.1136 116 I 3.8905 8.5235 123.2425 60.8004 38.4294 176.5720 117 R 4.4238 7.9641 127.6471 54.4737 27.6278 176.0619 118 G 3.8839 8.0867 106.7525 45.5045 0.0000 172.1932 119 E 4.7100 8.0948 116.5935 54.5714 30.9122 178.4388 120 G 3.9870 8.2330 108.2135 47.9826 0.0000 175.9270 121 T 3.9348 8.8668 117.4542 66.6156 68.2423 176.3781 122 S 4.0837 9.2456 116.8534 61.8338 62.6236 176.3181 123 N 4.0264 7.7714 118.4302 55.9841 38.3430 176.2251 124 D 4.5051 8.0968 117.8175 55.4459 41.0076 176.1343 125 Y 4.4653 8.6340 116.9174 58.6896 40.2317 176.1158 126 L 4.7592 7.5277 116.1836 51.8106 45.9969 174.2734 127 P 4.2857 0.0000 0.0000 62.9312 31.8466 177.3861 128 E 4.0059 8.7703 120.6565 59.6017 29.5341 178.6479 129 E 3.9500 8.0209 116.8393 58.4360 29.7432 176.9319 130 V 3.8099 7.4890 119.2180 61.1255 31.0518 173.7871 131 P 4.4828 0.0000 0.0000 62.7787 32.3943 176.2988 132 S 4.4705 8.6091 118.1163 58.5859 63.6350 173.2062 133 L 5.3120 8.6073 123.8802 52.3326 46.0087 173.9752 134 P 4.7060 0.0000 0.0000 60.6702 33.1811 175.4250 135 S 3.8864 8.6430 115.9827 58.8757 62.9776 174.2931 136 F 4.0237 9.0846 131.3911 61.7535 38.9966 176.7570 137 S 3.9548 8.2562 112.8994 61.7844 62.4664 176.3415 138 V 3.4827 7.6902 121.9063 65.2730 31.3655 177.5213 139 L 3.8248 7.7280 119.7382 58.0853 41.6950 179.0621 140 R 3.5501 7.7817 118.6563 59.5875 30.0451 177.6341 141 A 3.8914 8.2130 120.5747 55.6427 18.0199 179.2343 142 I 3.6239 7.8434 117.5981 64.7862 37.7771 178.1147 143 S 4.0095 7.7706 113.3368 61.5860 62.1252 176.4296 144 S 4.1777 8.5962 116.7557 61.3267 62.6901 175.8056 145 A 4.1590 8.3970 122.4039 53.5607 18.3387 178.2109 146 I 4.2534 7.6228 117.3462 62.1131 38.6887 177.9393 147 Q 4.0583 7.9400 118.7720 58.8062 28.4239 177.9523 148 N 4.2922 8.2565 117.0029 56.1234 38.6908 175.8943 149 K 4.3236 8.1351 114.8570 55.3931 32.0982 176.4430 150 G 4.0437 7.8086 106.4984 46.4150 0.0000 173.7209 151 K 4.5621 7.6846 117.2174 54.2028 34.1577 176.3173 152 D 4.4882 8.3261 122.4802 53.8901 41.9162 175.3373 153 Y 4.9822 7.1180 118.9165 55.3395 41.4820 174.2446 154 W 4.9098 9.2000 121.1378 56.4409 30.9618 175.2516 155 T 5.5495 8.5575 117.8264 58.9321 69.5661 174.3606 156 G 4.1445 7.7214 114.5735 46.5107 0.0000 171.1202 157 T 5.3482 7.7394 110.4727 59.0852 72.5033 173.7240 158 V 4.7591 8.1843 115.4681 59.7766 35.2477 174.0831 159 Y 4.4619 8.9522 126.9823 57.2406 39.8814 174.1451 160 T 5.0023 7.9694 124.4259 61.9551 70.1449 174.1377 161 T 5.2801 8.4250 120.6090 59.3750 70.8483 172.9716 162 N 4.9535 8.9280 116.9158 52.5760 40.0439 174.2825 163 R 4.5822 7.9891 119.7880 54.7537 31.1326 175.9955 164 R 4.2431 8.8509 124.8113 58.1111 30.7034 176.5864 165 V 4.0295 7.7054 118.1844 61.5057 31.1936 175.4302 166 W 4.7325 7.4730 120.8819 56.7175 31.0751 175.8945 167 E 4.1002 7.7441 118.3623 58.0968 28.7389 176.5669 168 Y 4.4819 7.4756 115.7558 56.7473 39.6424 175.7298 169 D 4.3735 7.7132 121.3827 53.0300 41.4226 176.1934 170 E 4.1211 8.7099 130.6057 59.8567 29.6991 179.8639 171 K 4.1508 8.1812 123.3758 59.5867 31.6281 181.1246 172 F 4.2793 8.2101 121.1285 61.4049 39.4499 177.5127 173 K 3.6344 8.2097 118.1155 59.4448 31.5518 179.0575 174 D 4.2627 8.3425 118.6857 57.5224 41.1288 177.8212 175 Y 4.0854 7.8034 119.8704 60.4543 38.6049 177.6825 176 L 2.8655 7.9465 122.1048 57.7848 42.2160 178.8362 177 R 4.0067 7.6787 114.4731 57.7149 29.4150 178.3410 178 S 4.1705 7.4563 115.1776 60.8416 63.2192 175.3413 179 T 4.0801 6.9707 111.3053 60.9985 68.9333 174.0932 180 H 3.9870 7.6636 116.5842 56.8125 27.0649 174.8997 181 A 4.4775 7.1581 118.7928 51.7382 19.2570 178.5962 182 S 4.4349 9.4464 116.8788 60.5150 64.5847 174.5680 183 G 4.4609 7.8105 104.3895 45.2610 0.0000 171.9409 184 V 5.2141 8.5367 120.0798 60.2110 33.7785 172.5591 185 D 4.9720 8.9119 129.6888 52.8435 42.6329 178.0528 *187 E 4.2821 9.0794 114.4936 55.6421 31.3973 177.5899 188 T 3.7044 9.3065 117.6164 66.9449 68.7818 175.3313 189 A 4.0825 7.9676 122.4660 55.5930 18.7018 179.0101 190 T 3.8039 7.7984 112.0600 66.7691 68.7506 176.3221 191 L 3.7183 7.6995 118.1030 55.9772 41.3494 178.6757 *193 T 4.2396 7.9508 117.7789 63.7038 70.3718 176.5153 194 V 3.3212 7.3639 120.2377 65.1447 31.2498 178.4958 195 G 3.4713 8.1353 106.1096 47.6033 0.0000 175.1327 196 F 4.0493 8.3036 122.8407 61.2256 39.1186 176.9816 197 A 4.2736 8.0895 119.9632 54.8890 18.2906 177.8852 198 N 4.5151 7.8275 110.5033 52.7736 38.8999 175.5409 199 K 3.9816 8.5319 116.8986 57.3161 30.0752 175.5951 200 I 4.2081 8.0526 121.0584 59.0690 37.2332 174.3170 201 P 4.0812 0.0000 0.0000 62.7039 31.9538 175.9357 *203 G 4.0921 8.2527 106.7953 46.6163 0.0000 171.2104 204 A 5.2293 8.3008 120.1023 50.6559 22.3915 175.4101 205 L 4.6673 9.2400 125.7881 53.3107 44.3773 175.1399 206 L 5.0993 8.5706 125.4406 52.8255 45.4775 175.1529 207 L 4.3637 9.3756 125.3591 53.0685 43.9753 175.6743 208 I 4.3649 8.3208 128.7821 61.7939 38.0770 175.6398 209 S 5.1821 8.5051 121.6598 56.9731 65.7772 172.8704 210 D 4.6950 8.9961 118.9695 54.1881 41.2033 176.9759 211 R 4.4509 7.2466 116.6206 54.4139 29.7209 180.1439 212 P 4.5656 0.0000 0.0000 62.9611 31.3407 176.9708 *214 F 5.0237 7.9709 116.7096 58.0418 40.2350 173.6585 215 P 4.8682 0.0000 0.0000 61.9706 33.6411 174.2104 216 E 4.5113 8.5342 117.0606 56.8461 31.0048 175.9090 217 G 4.0529 8.9867 111.2966 45.4639 0.0000 173.0008 218 V 4.0636 7.3260 118.5316 59.9466 33.2095 175.5223 219 K 4.0063 8.5088 126.7689 56.9771 32.5032 175.6869 220 T 4.7542 7.9967 108.7839 60.0159 71.6133 172.5047 221 E 4.6004 8.2974 119.3606 54.2163 32.8518 174.1551 222 E 4.0478 8.5727 119.0951 57.5055 28.5852 174.7020 223 S 4.5802 8.2416 119.8240 59.5297 70.0800 174.4603 *230 N 4.5308 7.7668 115.2946 53.4678 39.5411 174.3074 231 F 4.5769 8.9972 114.8219 57.5440 39.1984 177.4205 232 A 2.8552 7.9945 122.4160 55.2419 17.6971 179.6825 233 E 3.7272 7.8233 114.7081 59.8649 29.8037 178.3365 234 E 3.9396 8.2793 117.3930 59.7544 29.8815 177.6013 235 H 4.6400 9.4217 117.8411 59.4801 30.0019 178.7252 236 L 3.8998 7.7158 118.4017 55.2666 41.3433 179.2783 *238 L 4.2542 8.2144 120.2638 54.8692 43.4523 179.5981 239 G 3.7774 8.0480 104.9309 47.7304 0.0000 175.5517 240 I 4.0233 7.4758 121.1724 63.9946 37.5597 177.9870 241 D 4.3603 8.1654 119.0224 57.0277 40.7172 178.6811 242 A 3.9913 8.0897 121.5093 55.2240 18.5674 179.7443 243 L 4.1571 7.7565 117.4317 57.6024 41.5186 179.3678 244 E 3.8211 8.3822 119.8345 59.4599 29.6771 178.6077 245 I 3.6429 7.6800 119.4640 64.7820 36.9353 178.3993 246 I 3.7699 7.4771 119.1696 64.3948 37.1666 177.7680 247 R 4.4349 8.3325 120.3616 58.8442 29.9658 177.9135 248 E 4.0859 8.8905 119.1049 59.3476 29.5639 178.3185 249 N 4.6112 7.9814 111.8683 54.2745 38.5110 174.9943 250 K 4.1820 8.0725 127.7434 56.4588 32.4766 175.4614 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 T 8.03 4.34 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 6 K 8.67 3.66 0.00 1.85 1.84 0.00 1.37 0.00 0.00 0.98 0.00 0.00 2.68 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.45 7.81 7 Q 9.18 4.21 0.00 2.41 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.60 0.00 0.00 0.00 0.00 0.00 2.69 2.53 0.00 8 E 8.40 3.99 0.00 2.18 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 0.00 2.40 2.44 0.00 9 I 8.05 3.83 2.12 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.05 1.11 0.00 0.00 10 V 8.58 3.79 2.34 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 0.96 0.00 0.00 1.21 0.00 0.00 11 E 8.20 4.02 0.00 2.36 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 12 N 8.10 4.39 0.00 2.66 2.87 0.00 0.00 7.29 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 13 W 8.18 4.41 0.00 3.56 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 14 L 8.21 4.10 0.00 1.86 1.75 0.88 0.62 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 15 P 0.00 5.31 0.00 2.12 2.25 0.00 4.11 0.00 0.00 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 16 R 7.80 4.90 0.00 2.17 1.93 0.00 2.83 0.00 0.00 3.02 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.77 0.00 17 Y 8.36 4.20 0.00 3.08 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.88 4.80 4.41 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 1.48 0.00 0.00 19 Q 8.74 4.44 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 20 R 7.51 4.39 0.00 0.96 1.12 0.00 2.21 0.00 0.00 2.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.41 0.00 21 Q 8.46 4.87 0.00 2.40 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.64 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 22 L 8.74 4.21 0.00 1.81 1.81 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.76 3.80 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.53 0.95 0.00 0.00 24 D 8.53 4.57 0.00 2.55 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 25 F 7.62 4.45 0.00 2.83 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 26 E 9.08 4.58 0.00 2.14 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 2.40 2.63 0.00 27 P 0.00 4.47 0.00 2.22 2.39 0.00 3.82 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.21 0.00 28 Y 7.70 5.26 0.00 3.26 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 29 I 8.12 4.09 1.90 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.22 0.98 0.00 0.00 30 L 8.88 5.11 0.00 1.77 1.41 0.97 0.33 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 31 L 8.90 5.44 0.00 1.87 1.92 0.78 0.85 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 32 T 8.77 4.84 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 1.18 0.00 0.00 33 N 7.75 4.77 0.00 2.41 1.84 0.00 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0.00 1.38 1.41 0.83 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 5.13 0.00 2.16 2.10 0.00 3.97 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 113 I 9.17 4.13 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.90 1.02 0.00 0.00 114 A 7.56 4.75 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 0.00 115 A 8.76 4.95 1.15 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 0.00 0.00 116 I 8.52 3.89 1.84 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 1.25 1.11 0.97 0.00 0.00 117 R 7.96 4.42 0.00 1.64 1.99 0.00 3.20 0.00 0.00 2.25 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.43 0.00 118 G 8.09 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 0.00 119 E 8.09 4.71 0.00 2.12 2.09 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 128 E 8.77 4.01 0.00 1.93 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 2.30 2.32 0.00 129 E 8.02 3.95 0.00 1.91 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 2.29 2.34 0.00 130 V 7.49 3.81 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 0.57 0.00 0.00 0.83 0.00 0.00 131 P 0.00 4.48 0.00 2.14 2.05 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 132 S 8.61 4.47 0.00 4.07 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 0.00 133 L 8.61 5.31 0.00 1.56 1.57 1.04 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.71 0.00 2.14 2.03 0.00 3.88 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 135 S 8.64 3.89 0.00 3.77 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 0.00 136 F 9.08 4.02 0.00 3.15 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 0.00 137 S 8.26 3.95 0.00 4.07 4.15 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 0.00 138 V 7.69 3.48 2.16 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 1.03 0.00 0.00 0.89 0.00 0.00 139 L 7.73 3.82 0.00 1.74 1.59 0.87 0.95 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 0.00 140 R 7.78 3.55 0.00 1.18 1.74 0.00 3.10 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.43 0.00 141 A 8.21 3.89 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 0.00 142 I 7.84 3.62 1.76 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 1.39 0.73 0.80 0.00 0.00 143 S 7.77 4.01 0.00 3.99 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.60 4.18 0.00 4.08 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 0.00 145 A 8.40 4.16 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.62 4.25 2.17 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.95 1.11 0.00 0.00 147 Q 7.94 4.06 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.49 2.80 0.00 148 N 8.26 4.29 0.00 2.71 2.89 0.00 0.00 7.04 8.06 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 0.00 149 K 8.14 4.32 0.00 1.72 1.80 0.00 1.89 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.42 7.81 150 G 7.81 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 0.00 151 K 7.68 4.56 0.00 1.72 1.69 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.60 1.46 7.81 152 D 8.33 4.49 0.00 2.51 2.29 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 0.00 153 Y 7.12 4.98 0.00 3.05 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 0.00 154 W 9.20 4.91 0.00 3.46 3.17 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 0.00 155 T 8.56 5.55 4.54 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 0.00 0.00 0.00 1.37 0.00 0.00 156 G 7.72 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 0.00 0.00 0.00 0.00 157 T 7.74 5.35 4.33 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 1.24 0.00 0.00 158 V 8.18 4.76 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 0.78 0.00 0.00 0.97 0.00 0.00 159 Y 8.95 4.46 0.00 2.97 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 0.00 160 T 7.97 5.00 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 1.19 0.00 0.00 161 T 8.42 5.28 4.62 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 1.51 0.00 0.00 162 N 8.93 4.95 0.00 2.74 2.82 0.00 0.00 6.67 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 0.00 163 R 7.99 4.58 0.00 1.77 1.76 0.00 2.86 0.00 0.00 2.54 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 164 R 8.85 4.24 0.00 1.94 2.06 0.00 3.36 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 165 V 7.71 4.03 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 1.01 0.00 0.00 0.99 0.00 0.00 166 W 7.47 4.73 0.00 3.26 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 0.00 167 E 7.74 4.10 0.00 1.77 1.85 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 1.47 1.47 0.00 168 Y 7.48 4.48 0.00 3.07 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 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0.00 1.99 2.03 0.00 2.76 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.53 0.00 178 S 7.46 4.17 0.00 3.97 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 0.00 179 T 6.97 4.08 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 180 H 7.66 3.99 0.00 3.24 3.35 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 A 7.16 4.48 1.22 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 0.00 0.00 182 S 9.45 4.43 0.00 3.85 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 0.00 183 G 7.81 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 0.00 0.00 0.00 0.00 184 V 8.54 5.21 2.38 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 1.29 0.00 0.00 0.89 0.00 0.00 185 D 8.91 4.97 0.00 2.96 2.30 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 205 L 9.24 4.67 0.00 1.76 1.62 1.03 0.36 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 0.00 206 L 8.57 5.10 0.00 1.79 1.53 1.01 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 207 L 9.38 4.36 0.00 1.48 1.50 -0.26 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 208 I 8.32 4.36 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.14 0.91 0.00 0.00 209 S 8.51 5.18 0.00 3.78 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 0.00 210 D 9.00 4.70 0.00 2.72 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 0.00 211 R 7.25 4.45 0.00 1.83 1.73 0.00 3.27 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.39 0.00 212 P 0.00 4.57 0.00 2.29 2.31 0.00 3.67 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 *214 F 7.97 5.02 0.00 3.25 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 P 0.00 4.87 0.00 2.19 2.15 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.99 0.00 216 E 8.53 4.51 0.00 1.98 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 2.32 2.36 0.00 217 G 8.99 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 V 7.33 4.06 1.55 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 -0.04 0.00 0.00 0.60 0.00 0.00 219 K 8.51 4.01 0.00 1.72 1.73 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.40 7.81 220 T 8.00 4.75 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 1.20 0.00 0.00 221 E 8.30 4.60 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 222 E 8.57 4.05 0.00 1.93 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 2.30 2.41 0.00 223 S 8.24 4.58 0.00 3.88 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 *230 N 7.77 4.53 0.00 2.81 2.98 0.00 0.00 6.85 7.45 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 0.00 231 F 9.00 4.58 0.00 3.13 3.27 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 0.00 232 A 7.99 2.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 E 7.82 3.73 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 2.24 2.27 0.00 234 E 8.28 3.94 0.00 2.04 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 235 H 9.42 4.64 0.00 3.58 3.55 0.00 5.67 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 0.00 236 L 7.72 3.90 0.00 2.01 1.64 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 *238 L 8.21 4.25 0.00 1.95 1.72 0.47 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 239 G 8.05 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 I 7.48 4.02 2.00 0.00 0.00 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 1.68 0.93 1.07 0.00 0.00 241 D 8.17 4.36 0.00 2.82 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 0.00 242 A 8.09 3.99 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 0.00 243 L 7.76 4.16 0.00 1.90 1.94 1.17 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 244 E 8.38 3.82 0.00 2.19 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 2.31 2.39 0.00 245 I 7.68 3.64 2.02 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 0.95 0.91 0.00 0.00 246 I 7.48 3.77 2.30 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 1.45 0.75 1.02 0.00 0.00 247 R 8.33 4.43 0.00 1.18 1.92 0.00 2.73 0.00 0.00 2.64 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.83 0.00 248 E 8.89 4.09 0.00 2.16 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 2.31 2.35 0.00 249 N 7.98 4.61 0.00 2.98 2.88 0.00 0.00 6.85 7.13 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 0.00 250 K 8.07 4.18 0.00 1.83 1.69 0.00 1.94 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.