NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.3001 7.8827 121.4444 61.1492 38.8262 173.8337 17 V 4.3606 8.4497 124.9532 61.5379 33.3725 174.1302 18 G 3.7487 8.9738 114.4532 46.6631 0.0000 173.0427 19 G 4.2773 7.8650 110.5308 43.6926 0.0000 172.2018 20 Y 4.9825 7.9213 116.7860 55.2081 42.2822 174.6321 21 T 4.3609 8.5789 116.5785 63.9038 68.5556 175.8074 22 C 4.3915 8.5985 124.6512 60.9875 40.1768 174.4578 23 G 4.1602 8.6349 106.2170 43.7012 0.0000 172.9428 24 A 4.4032 8.5723 124.6840 52.9671 18.7167 177.3179 25 N 4.1979 8.7001 121.1258 54.6093 36.2116 175.1904 26 T 4.2807 7.4629 106.1397 62.1045 70.4728 175.1802 27 V 4.0492 7.0137 122.3311 60.2878 31.1032 173.8576 28 P 4.3698 0.0000 0.0000 64.6319 32.0804 178.0765 29 Y 5.1376 6.7642 115.6811 56.4495 38.7368 174.6432 30 Q 4.7012 7.5336 123.3017 56.1679 29.8694 175.1342 31 V 4.8558 8.8479 124.9581 61.1495 35.6837 173.8144 32 S 5.1165 8.6448 119.2162 56.4717 65.3093 172.4904 33 L 4.8015 8.5356 127.4506 53.2204 43.6275 175.0294 34 N 6.0189 9.0134 121.8452 49.9987 42.2475 174.9385 *37 S 4.9878 7.9070 120.1205 58.6637 64.1727 174.4548 38 G 3.9891 9.3832 109.2175 46.5409 0.0000 173.0511 39 Y 4.5562 6.4250 115.3625 56.1320 40.1675 172.7371 40 H 4.7456 8.8374 121.4747 56.0727 30.3970 174.6985 41 F 5.0590 8.0843 120.2439 57.3770 40.1167 174.0421 42 C 4.7931 6.7508 114.6245 55.6953 45.0689 173.2939 43 G 4.3608 8.6630 108.9078 45.4391 0.0000 172.2553 44 G 4.4475 8.2781 105.3917 46.2668 0.0000 172.4409 45 S 5.5566 8.8119 115.1832 56.4834 66.8842 173.5203 46 L 4.8295 8.9753 126.6673 54.4298 42.5621 177.0181 47 I 4.4131 8.4604 119.6151 61.0757 39.2441 174.7349 48 N 4.5037 7.8807 117.0161 51.9134 39.3433 175.0519 49 S 4.1492 8.4749 113.3778 61.1304 62.7858 175.8452 50 Q 4.4725 8.1637 116.6681 55.1126 29.9742 174.5337 51 W 5.6006 8.1714 117.7633 54.7988 33.5247 174.4077 52 V 5.1168 9.1673 122.9911 61.0845 34.7407 174.4536 53 V 4.9829 8.6334 125.7094 60.6190 34.2968 174.9683 54 S 4.9579 8.8613 115.8412 58.0404 65.9743 172.0277 55 A 4.8001 8.8048 119.7885 49.8488 20.4466 178.4252 56 A 3.8225 8.3590 124.7173 55.3165 18.4424 179.1896 57 H 4.4809 8.4387 109.6344 57.4780 28.6187 175.2960 58 C 4.7458 7.8916 117.1486 56.8067 40.5359 173.2316 59 Y 4.3404 7.7693 122.2846 58.1140 38.6875 175.6139 60 K 3.9288 7.4192 124.1068 55.0431 36.1988 175.0327 61 S 4.3227 7.9763 115.8449 58.1143 63.9767 173.6450 62 G 3.5923 8.5299 112.0051 46.2945 0.0000 173.2377 63 I 4.4781 7.2645 118.4937 59.6539 40.2037 176.0257 64 Q 4.7312 8.4357 125.8079 54.2808 32.2656 173.8900 65 V 4.4354 9.0463 126.5603 61.5216 33.9095 174.5326 66 R 5.2803 8.7936 126.3561 54.5969 32.9296 174.7636 67 L 4.7693 9.3645 124.4002 52.5670 44.9892 177.0795 *69 G 4.5413 8.2471 106.4219 46.3976 0.0000 172.6162 70 E 4.7434 8.4711 118.6917 55.0577 30.1324 174.2857 71 D 4.7339 7.8584 118.1997 54.6835 44.0094 173.8826 72 N 5.2849 8.8418 118.3721 52.5704 39.3681 176.1612 73 I 3.9810 8.5367 119.8321 62.1048 37.9593 176.1783 74 N 4.7413 8.6504 118.0933 53.0315 39.2795 174.7266 75 V 4.2749 7.3658 117.7060 60.6718 33.9774 175.0112 76 V 4.0740 8.4636 127.1286 62.6469 30.9054 175.2076 77 E 4.3326 9.1688 127.6311 55.8210 29.9833 177.0509 78 G 4.0709 8.0183 106.9248 45.4123 0.0000 174.4118 79 N 4.9232 8.2695 116.0229 53.1442 39.8549 174.4180 80 E 5.0410 7.9784 117.8388 55.4300 31.8789 175.6246 81 Q 4.2887 8.8115 119.7889 54.2998 32.9558 174.1908 82 F 5.6084 8.8114 122.8899 56.0611 40.9063 174.9559 83 I 4.6898 8.9696 125.1355 59.4133 40.8218 175.7534 84 S 4.7377 8.6206 121.4471 58.0470 64.4581 173.2316 85 A 4.6367 8.1737 124.3808 51.9232 18.6394 177.6968 86 S 4.6166 8.5913 115.7945 59.5553 64.7149 174.4055 87 K 4.5570 7.3710 116.6240 56.1271 35.1832 174.5051 88 S 5.3099 8.8071 116.7233 56.9693 66.8303 173.6808 89 I 4.6232 9.0982 123.7597 59.7356 40.2491 174.8519 90 V 4.3876 8.4402 127.1931 61.4415 33.1909 175.2025 91 H 3.4878 8.4957 126.0730 55.4935 30.0568 174.3468 92 P 4.2232 0.0000 0.0000 65.5458 30.8258 176.9786 93 S 4.7172 7.7018 112.5126 58.0341 62.9618 173.1450 94 Y 4.3110 8.0767 123.0109 57.5149 39.0089 174.2485 95 N 4.5282 8.0703 125.9296 51.3989 39.4996 174.9886 96 S 3.9002 7.6872 119.9653 59.3868 63.5796 175.2798 97 N 4.4070 8.1002 119.1567 55.4378 38.5866 176.0887 98 T 4.0364 7.7034 105.3287 60.7440 70.1234 174.9081 99 L 3.7889 7.9341 121.0406 55.3897 39.5843 173.7439 100 N 4.4699 7.6578 118.1859 54.5829 39.6436 174.5433 101 N 4.6632 8.7416 120.7344 54.4953 35.8776 175.6460 102 D 4.7273 7.7132 118.6403 53.0326 40.1533 174.7810 103 I 4.9723 7.1027 120.8264 59.4654 42.4948 173.2196 104 M 5.4200 9.0912 125.9356 54.2378 36.2874 173.2877 105 L 5.3929 9.1673 123.7462 53.0897 45.3694 175.4670 106 I 5.0285 9.1338 123.3417 59.5067 40.5320 174.3345 107 K 3.7729 8.6884 128.7789 54.5594 33.8223 175.5361 108 L 4.5448 8.0023 126.8228 53.7815 42.4787 177.2699 109 K 4.1450 8.7057 121.3799 58.9405 32.4774 177.8122 110 S 4.6336 7.7337 112.9378 56.1691 66.7802 173.0213 111 A 4.4511 8.3788 124.2218 51.4626 18.8623 177.6028 112 A 4.2361 8.9829 124.8195 52.1588 19.6214 177.4711 113 S 4.5707 8.9841 116.7514 57.0692 63.4835 174.5531 114 L 4.4930 8.4761 125.7240 54.4052 42.3442 176.7414 115 N 4.8159 8.7955 118.5628 52.6340 39.4694 174.9743 116 S 4.2249 8.7714 112.6805 61.7279 63.0626 175.3234 117 R 4.2434 8.5823 117.9518 56.4150 30.6641 176.3944 118 V 4.4234 7.8606 116.3600 60.9127 33.4536 173.7222 119 A 5.2063 8.5899 128.4754 50.3372 23.0684 174.7502 120 S 5.1739 8.6794 113.7155 57.2105 65.4742 172.9946 121 I 4.4906 8.2706 120.3561 59.2737 40.0859 175.1252 122 S 4.5812 8.2803 122.1423 57.5062 64.0924 173.9963 123 L 4.3083 8.0750 123.1479 53.2956 42.5157 175.2633 124 P 4.5320 0.0000 0.0000 62.9377 32.4021 176.1462 125 T 4.0898 8.2631 109.0302 62.9072 69.9459 174.6962 *127 S 4.8546 7.5215 113.9921 58.0746 64.0597 173.4543 128 C 4.4878 8.3580 117.1570 56.2068 40.9611 173.4072 129 A 4.5867 7.8534 124.1191 50.8926 20.3842 177.4485 130 S 4.1912 8.0482 115.2783 57.9107 63.9788 173.7715 *132 A 4.2205 8.2217 125.0215 53.4365 19.3639 175.9449 133 G 4.0845 8.9148 109.2054 45.7066 0.0000 174.8361 134 T 3.9650 7.6844 116.7570 63.8507 69.3844 173.9619 135 Q 4.6535 8.5908 124.9321 55.6522 30.1955 175.6394 136 C 5.2663 9.2252 119.5789 55.0861 45.7000 172.3277 137 L 5.2932 9.0703 122.0477 53.4761 44.3122 174.9856 138 I 5.3194 9.0942 127.1219 58.7515 40.1258 174.8087 139 S 4.9199 8.6794 119.5433 56.3999 66.6374 173.1030 140 G 3.7817 7.5319 108.7423 46.1453 0.0000 172.7944 141 W 4.9048 8.5799 117.2350 56.2863 29.4932 177.2164 142 G 4.0914 8.1346 109.0169 44.2065 0.0000 173.6000 143 N 3.7185 8.2465 118.1065 54.1163 39.0014 174.7011 144 T 5.1233 8.1098 112.8036 60.4106 69.3392 174.0379 145 K 4.6631 7.8392 120.4522 55.1054 35.1528 176.3140 146 S 4.2888 8.7445 118.1026 61.0968 63.2264 175.5957 147 S 4.4789 9.2824 119.1548 57.3371 61.7447 173.8688 148 G 4.1456 7.2688 111.4323 43.6639 0.0000 169.9138 149 T 4.7137 7.8817 116.0922 61.8249 71.9844 174.3867 150 S 4.4118 9.3813 122.2841 57.5446 65.4361 171.9879 151 Y 4.9181 8.6833 125.9279 55.6332 39.0290 174.5335 152 P 4.6555 0.0000 0.0000 62.8397 32.6439 175.4731 153 D 4.9824 8.6732 116.8504 54.4252 42.9960 176.5091 154 V 5.6645 7.7106 110.4416 58.1916 34.9061 175.4440 155 L 3.2672 8.4867 124.5577 55.1152 43.2024 175.8121 156 K 4.8933 8.1542 123.5010 54.7387 35.9984 174.4814 157 C 5.2695 8.7310 119.7023 55.1789 43.0727 172.9033 158 L 4.9062 8.5166 122.2878 53.7908 45.6147 174.3842 159 K 5.1956 8.9104 125.1105 54.9296 33.8925 175.6036 160 A 4.9568 9.0637 125.5462 49.5334 23.1257 173.6646 161 P 5.0345 0.0000 0.0000 61.9723 33.8517 175.2744 162 I 4.3362 8.3253 121.9801 61.4053 38.2238 175.6552 163 L 4.9557 8.5706 126.4291 52.8494 44.0040 176.7476 164 S 4.3610 8.3976 114.7406 58.1828 63.9913 175.2115 165 D 4.4709 8.7111 122.1350 57.3269 40.4876 179.2093 166 S 4.1410 8.0662 114.8233 61.6567 62.9113 176.7335 167 S 4.4544 7.8102 119.4334 60.2144 62.8034 175.6898 168 C 4.3568 8.0157 121.8683 59.7057 42.8109 175.7551 169 K 4.0335 8.6891 120.7480 59.3476 31.6100 179.5798 170 S 4.2306 8.4236 114.6330 61.1843 62.7434 176.4917 171 A 3.9083 7.6396 123.9455 53.6316 19.5999 177.3120 172 Y 4.8174 7.6426 114.7299 55.2284 38.0328 172.9456 173 P 4.5546 0.0000 0.0000 63.0917 32.4064 176.6901 174 G 4.0586 8.9512 108.9206 46.4696 0.0000 173.9205 175 Q 4.5756 8.0744 116.0257 55.0547 30.7202 175.5251 176 I 4.4421 7.8754 119.3835 59.8789 38.5500 175.1527 177 T 4.6279 8.1709 114.8683 59.4602 71.1298 174.9852 178 S 4.3655 8.5515 114.7540 60.1667 63.1781 174.3332 179 N 4.9502 8.0502 118.9793 53.3602 38.5338 173.8465 180 M 5.5487 7.8595 117.1622 53.8273 36.2254 174.5057 181 F 5.0820 8.6654 115.1979 55.8547 42.1142 172.4826 182 C 5.7827 9.2602 116.1542 54.8613 42.5870 172.6987 183 A 4.9960 9.0790 121.9107 50.5916 22.2938 175.6087 184A G 4.0109 6.9810 107.7631 44.9047 0.0000 172.7537 184 Y 4.5790 8.2658 120.2464 55.9965 41.0806 176.3606 185 L 4.1081 8.6548 125.4737 57.1959 41.9817 178.6128 186 E 4.1394 8.2373 114.9654 56.7610 30.1566 177.3239 187 G 3.7655 7.7946 107.8961 44.7888 0.0000 171.0544 188A G 4.2202 9.0757 105.8760 44.6913 0.0000 174.3177 188 K 4.8467 7.1414 116.9724 54.4559 35.3337 175.3752 189 D 4.5832 8.5903 123.0267 54.1180 45.8017 174.9831 190 S 4.8942 8.7265 116.7942 57.9585 65.5359 172.7100 191 C 4.7615 9.1037 118.8329 55.5259 47.9059 172.4724 192 Q 4.4680 8.4397 118.6002 57.7696 28.4181 177.1028 193 G 4.2560 9.2451 108.4752 45.7978 0.0000 174.0997 194 D 4.7110 8.2329 118.4645 55.1605 41.7820 176.6880 195 S 4.4254 8.0535 115.0760 60.4137 63.3101 175.4064 196 G 4.1020 8.9468 112.8500 46.4896 0.0000 173.8199 197 G 4.0995 7.8128 107.1734 45.3624 0.0000 171.3552 198 P 5.1658 0.0000 0.0000 62.3539 33.6234 175.6499 199 V 4.5610 8.3665 120.8864 61.4647 34.4041 173.9998 200 V 4.8738 8.7839 128.9518 61.2761 34.0207 173.7663 201 C 5.1060 8.6593 124.3310 55.7631 44.1744 174.5424 202 S 3.4881 9.8740 119.4747 59.6832 60.0930 173.5454 203 G 3.9446 8.5126 106.0093 45.4106 0.0000 174.0480 204 K 4.7493 7.6076 118.2467 53.2363 35.0566 175.2429 *209 L 4.3000 8.2409 122.2914 55.4388 42.5232 175.9993 210 Q 4.5968 8.8034 125.2258 56.4008 31.3620 175.6091 211 G 5.3527 7.9645 104.5394 45.9683 0.0000 171.4581 212 I 5.0541 8.2234 119.3676 58.9116 41.2160 175.3545 213 V 3.7115 8.8886 127.1705 63.9195 31.7834 174.2821 214 S 4.9679 8.4675 121.1880 58.5701 64.2636 174.2656 215 W 4.9513 7.4627 114.1272 56.0480 32.0320 172.1531 216 G 3.9672 8.3887 106.1343 46.6201 0.0000 173.1746 217 S 4.6898 9.0468 115.2985 56.5442 62.3519 173.1205 *219 G 3.9863 8.0679 118.6006 45.4823 0.0000 170.6594 220 C 4.9945 8.0994 115.3415 56.3491 44.2968 173.8310 221A A 4.0633 9.1213 124.9884 53.2010 16.2348 177.3538 221 Q 4.5195 7.3310 117.2797 56.4200 29.6826 175.7536 222 K 4.1854 8.3835 121.4580 57.6814 32.7596 176.3599 223 N 4.2806 9.3073 121.7694 54.0433 36.9694 175.3035 224 K 4.3535 7.4237 116.6215 53.6146 32.1823 173.5519 225 P 4.5950 0.0000 0.0000 62.3380 33.1093 177.2168 226 G 3.7364 8.4397 106.0055 45.7453 0.0000 172.8087 227 V 4.3262 7.6206 120.9899 60.6423 34.0968 174.0705 228 Y 4.9795 8.0820 124.7142 55.9215 41.7520 175.1836 229 T 4.3809 8.5734 119.7319 63.7057 70.1660 174.2251 230 K 5.0791 9.2274 127.9880 55.2356 31.5457 177.1324 231 V 3.9729 8.7563 126.5266 65.9710 31.3828 174.8558 232 C 4.2946 8.3967 112.5701 58.3605 41.3205 174.7840 233 N 4.3116 7.9107 116.3922 54.1638 38.6452 175.4842 234 Y 4.9011 8.0405 117.8128 57.3539 38.9058 177.2264 235 V 3.6765 7.9211 121.1724 66.3857 31.5094 178.0285 236 S 4.1184 8.0882 114.2390 61.2777 62.6939 176.2364 237 W 4.1760 8.2992 130.6026 60.4603 30.4373 177.8902 238 I 2.9200 8.3504 120.0127 64.1539 36.6914 178.4245 239 K 3.7147 8.0863 119.4804 59.5600 31.6560 179.2360 240 Q 3.8541 7.9269 118.7618 59.3440 29.4100 178.0644 241 T 3.7512 7.5630 117.1678 66.4662 67.9855 176.8976 242 I 2.5515 7.3537 115.0738 63.2406 37.1927 177.6844 243 A 4.1488 7.4579 120.3376 53.4864 18.3285 178.5173 244 S 4.7113 7.3273 111.7180 58.1015 63.4794 173.9147 245 N 4.6947 7.8961 124.9920 53.6372 39.5279 174.1570 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 16 I 7.88 4.30 1.78 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 1.48 0.89 0.84 0.00 0.00 17 V 8.45 4.36 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 0.99 0.00 0.00 0.90 0.00 0.00 18 G 8.97 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 0.00 0.00 0.00 19 G 7.86 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 0.00 0.00 0.00 0.00 20 Y 7.92 4.98 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.58 4.36 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 1.23 0.00 0.00 22 C 8.60 4.39 0.00 2.79 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 23 G 8.63 4.16 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 0.00 0.00 0.00 24 A 8.57 4.40 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 25 N 8.70 4.20 0.00 2.86 2.89 0.00 0.00 7.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.46 4.28 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 1.34 0.00 0.00 27 V 7.01 4.05 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 0.45 0.00 0.00 0.76 0.00 0.00 28 P 0.00 4.37 0.00 2.37 2.28 0.00 3.59 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 2.17 1.99 0.00 29 Y 6.76 5.14 0.00 3.26 3.38 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 30 Q 7.53 4.70 0.00 1.80 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.51 0.00 0.00 0.00 0.00 0.00 1.97 2.49 0.00 31 V 8.85 4.86 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 0.87 0.00 0.00 1.10 0.00 0.00 32 S 8.64 5.12 0.00 3.13 3.33 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 33 L 8.54 4.80 0.00 0.27 1.03 0.80 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.01 6.02 0.00 2.46 2.51 0.00 0.00 6.56 7.98 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 *37 S 7.91 4.99 0.00 3.69 3.63 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 38 G 9.38 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 39 Y 6.43 4.56 0.00 3.10 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 40 H 8.84 4.75 0.00 2.87 3.18 0.00 5.86 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 41 F 8.08 5.06 0.00 3.08 3.19 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 42 C 6.75 4.79 0.00 2.30 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 43 G 8.66 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.28 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 45 S 8.81 5.56 0.00 3.84 3.81 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 46 L 8.98 4.83 0.00 1.88 1.66 1.07 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.46 4.41 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.93 0.95 0.00 0.00 48 N 7.88 4.50 0.00 2.92 2.97 0.00 0.00 6.25 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 49 S 8.47 4.15 0.00 4.03 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 0.00 50 Q 8.16 4.47 0.00 2.09 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 51 W 8.17 5.60 0.00 3.19 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 52 V 9.17 5.12 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 1.16 0.00 0.00 0.99 0.00 0.00 53 V 8.63 4.98 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 0.78 0.00 0.00 1.05 0.00 0.00 54 S 8.86 4.96 0.00 3.91 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 55 A 8.80 4.80 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 56 A 8.36 3.82 0.28 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 57 H 8.44 4.48 0.00 3.37 3.56 0.00 5.55 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.89 4.75 0.00 3.24 3.37 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 59 Y 7.77 4.34 0.00 2.92 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.42 3.93 0.00 1.31 1.23 0.00 0.61 0.00 0.00 0.96 0.00 0.00 2.60 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.94 0.91 7.81 61 S 7.98 4.32 0.00 3.73 3.63 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 62 G 8.53 3.59 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 0.00 0.00 0.00 63 I 7.26 4.48 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.37 0.95 0.00 0.00 64 Q 8.44 4.73 0.00 2.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 65 V 9.05 4.44 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 0.84 0.00 0.00 0.91 0.00 0.00 66 R 8.79 5.28 0.00 1.63 1.98 0.00 2.70 0.00 0.00 2.51 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.29 0.00 67 L 9.36 4.77 0.00 1.56 1.60 0.95 0.71 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 *69 G 8.25 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 0.00 0.00 0.00 0.00 70 E 8.47 4.74 0.00 2.16 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 2.35 2.09 0.00 71 D 7.86 4.73 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.84 5.28 0.00 2.86 2.79 0.00 0.00 7.21 7.18 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 73 I 8.54 3.98 1.46 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.54 -0.36 0.00 0.00 74 N 8.65 4.74 0.00 2.81 2.88 0.00 0.00 6.58 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 75 V 7.37 4.27 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 0.74 0.00 0.00 0.99 0.00 0.00 76 V 8.46 4.07 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 0.82 0.00 0.00 1.05 0.00 0.00 77 E 9.17 4.33 0.00 1.99 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 2.31 2.46 0.00 78 G 8.02 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.27 4.92 0.00 2.84 2.79 0.00 0.00 7.10 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 80 E 7.98 5.04 0.00 1.33 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 2.68 2.61 0.00 81 Q 8.81 4.29 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.73 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 82 F 8.81 5.61 0.00 2.81 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 83 I 8.97 4.69 1.88 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 1.23 0.90 0.95 0.00 0.00 84 S 8.62 4.74 0.00 3.76 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 85 A 8.17 4.64 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.59 4.62 0.00 3.79 3.91 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 0.00 0.00 0.00 87 K 7.37 4.56 0.00 1.84 1.89 0.00 1.48 0.00 0.00 1.97 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.50 7.81 88 S 8.81 5.31 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 89 I 9.10 4.62 2.07 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.92 1.15 0.00 0.00 90 V 8.44 4.39 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 0.59 0.00 0.00 0.74 0.00 0.00 91 H 8.50 3.49 0.00 2.75 3.06 0.00 5.67 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.22 0.00 2.12 2.16 0.00 2.65 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.83 0.00 93 S 7.70 4.72 0.00 3.93 3.90 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 94 Y 8.08 4.31 0.00 2.97 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 95 N 8.07 4.53 0.00 2.59 2.45 0.00 0.00 6.56 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 96 S 7.69 3.90 0.00 4.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.10 4.41 0.00 2.83 2.79 0.00 0.00 6.78 6.87 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 98 T 7.70 4.04 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 1.10 0.00 0.00 99 L 7.93 3.79 0.00 1.59 1.98 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.66 4.47 0.00 2.75 2.65 0.00 0.00 7.29 6.58 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 0.00 101 N 8.74 4.66 0.00 2.97 2.63 0.00 0.00 7.25 8.31 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 0.00 102 D 7.71 4.73 0.00 3.24 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 0.00 103 I 7.10 4.97 1.54 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 1.41 1.26 0.19 0.00 0.00 104 M 9.09 5.42 0.00 2.14 1.82 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.65 0.00 105 L 9.17 5.39 0.00 1.72 1.78 0.05 0.54 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 0.00 106 I 9.13 5.03 1.94 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 1.21 0.92 0.91 0.00 0.00 107 K 8.69 3.77 0.00 0.79 1.08 0.00 1.37 0.00 0.00 1.36 0.00 0.00 2.61 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.69 0.21 7.81 108 L 8.00 4.54 0.00 1.48 1.54 0.97 0.73 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 0.00 109 K 8.71 4.14 0.00 1.71 1.83 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.40 7.81 110 S 7.73 4.63 0.00 3.77 3.68 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 0.00 111 A 8.38 4.45 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 A 8.98 4.24 1.23 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 0.00 0.00 113 S 8.98 4.57 0.00 3.74 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 0.00 114 L 8.48 4.49 0.00 1.65 1.71 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.80 4.82 0.00 2.87 2.92 0.00 0.00 6.88 7.19 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 0.00 116 S 8.77 4.22 0.00 3.89 3.98 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 0.00 117 R 8.58 4.24 0.00 1.85 1.98 0.00 3.10 0.00 0.00 3.28 7.36 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.52 4.85 0.00 4.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 C 8.36 4.49 0.00 2.93 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 0.00 129 A 7.85 4.59 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.05 4.19 0.00 3.93 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 *132 A 8.22 4.22 1.23 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 0.00 0.00 133 G 8.91 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 0.00 0.00 0.00 134 T 7.68 3.97 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 1.15 0.00 0.00 135 Q 8.59 4.65 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 136 C 9.23 5.27 0.00 2.85 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 0.00 137 L 9.07 5.29 0.00 1.73 1.54 1.01 1.16 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 0.00 138 I 9.09 5.32 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.58 0.97 0.00 0.00 139 S 8.68 4.92 0.00 3.52 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 0.00 140 G 7.53 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 0.00 141 W 8.58 4.90 0.00 3.19 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 0.00 142 G 8.13 4.09 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 0.00 0.00 0.00 143 N 8.25 3.72 0.00 2.17 2.56 0.00 0.00 7.36 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 0.00 144 T 8.11 5.12 4.20 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 1.27 0.00 0.00 145 K 7.84 4.66 0.00 1.75 1.71 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.28 1.33 7.81 146 S 8.74 4.29 0.00 3.86 4.13 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 0.00 147 S 9.28 4.48 0.00 3.85 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 0.00 148 G 7.27 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 0.00 0.00 0.00 149 T 7.88 4.71 4.32 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 1.51 0.00 0.00 150 S 9.38 4.41 0.00 3.81 3.63 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 0.00 151 Y 8.68 4.92 0.00 2.95 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 0.00 152 P 0.00 4.66 0.00 2.43 2.09 0.00 4.01 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 153 D 8.67 4.98 0.00 2.67 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 0.00 154 V 7.71 5.66 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 1.02 0.00 0.00 0.97 0.00 0.00 155 L 8.49 3.27 0.00 1.33 1.25 -0.53 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.15 4.89 0.00 1.66 1.48 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.45 7.81 157 C 8.73 5.27 0.00 1.50 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.52 4.91 0.00 1.67 1.41 1.01 0.72 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 0.00 159 K 8.91 5.20 0.00 1.81 1.81 0.00 1.88 0.00 0.00 1.78 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.63 7.81 160 A 9.06 4.96 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 0.00 161 P 0.00 5.03 0.00 2.03 2.10 0.00 3.19 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 162 I 8.33 4.34 1.77 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.58 0.81 0.00 0.00 163 L 8.57 4.96 0.00 1.55 1.60 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.40 4.36 0.00 4.01 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 0.00 165 D 8.71 4.47 0.00 2.74 2.80 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 0.00 0.00 0.00 166 S 8.07 4.14 0.00 4.05 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 0.00 167 S 7.81 4.45 0.00 4.06 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 0.00 168 C 8.02 4.36 0.00 3.22 3.38 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 0.00 169 K 8.69 4.03 0.00 1.93 1.90 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.59 7.81 170 S 8.42 4.23 0.00 4.04 4.13 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 0.00 171 A 7.64 3.91 1.09 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 0.00 0.00 172 Y 7.64 4.82 0.00 3.22 3.19 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 0.00 173 P 0.00 4.55 0.00 2.08 2.02 0.00 3.95 0.00 0.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.21 0.00 174 G 8.95 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 0.00 175 Q 8.07 4.58 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.15 6.43 0.00 0.00 0.00 0.00 0.00 2.26 2.57 0.00 176 I 7.88 4.44 1.97 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 1.87 1.09 0.98 0.00 0.00 177 T 8.17 4.63 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 1.28 0.00 0.00 178 S 8.55 4.37 0.00 4.00 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 0.00 179 N 8.05 4.95 0.00 3.01 3.08 0.00 0.00 6.63 7.90 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 0.00 180 M 7.86 5.55 0.00 1.74 1.96 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 181 F 8.67 5.08 0.00 3.09 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 C 9.26 5.78 0.00 2.97 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 A 9.08 5.00 1.14 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 184A G 6.98 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 0.00 0.00 0.00 184 Y 8.27 4.58 0.00 3.09 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 0.00 185 L 8.65 4.11 0.00 1.73 1.73 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.24 4.14 0.00 2.10 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 0.00 2.37 2.29 0.00 187 G 7.79 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 0.00 0.00 0.00 188A G 9.08 4.22 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 0.00 188 K 7.14 4.85 0.00 1.37 1.68 0.00 0.79 0.00 0.00 1.29 0.00 0.00 2.34 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.25 7.81 189 D 8.59 4.58 0.00 2.80 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 8.73 4.89 0.00 4.00 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 0.00 191 C 9.10 4.76 0.00 2.93 3.05 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 0.00 192 Q 8.44 4.47 0.00 2.44 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 5.26 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 193 G 9.25 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 0.00 0.00 0.00 0.00 194 D 8.23 4.71 0.00 3.05 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 0.00 195 S 8.05 4.43 0.00 3.99 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 0.00 196 G 8.95 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 G 7.81 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 P 0.00 5.17 0.00 2.28 2.32 0.00 3.71 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 199 V 8.37 4.56 2.22 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 0.78 0.00 0.00 0.65 0.00 0.00 200 V 8.78 4.87 2.10 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 0.68 0.00 0.00 0.61 0.00 0.00 201 C 8.66 5.11 0.00 2.79 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 0.00 202 S 9.87 3.49 0.00 3.94 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 0.00 203 G 8.51 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 K 7.61 4.75 0.00 1.72 1.64 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.39 7.81 *209 L 8.24 4.30 0.00 1.50 1.62 1.00 0.73 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 0.00 210 Q 8.80 4.60 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.29 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 211 G 7.96 5.35 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 0.00 212 I 8.22 5.05 1.93 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 1.31 0.96 0.97 0.00 0.00 213 V 8.89 3.71 2.37 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 0.93 0.00 0.00 1.20 0.00 0.00 214 S 8.47 4.97 0.00 3.88 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 0.00 215 W 7.46 4.95 0.00 3.30 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 G 8.39 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 0.00 217 S 9.05 4.69 0.00 4.25 3.98 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 *219 G 8.07 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 0.00 220 C 8.10 4.99 0.00 2.95 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221A A 9.12 4.06 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 0.00 221 Q 7.33 4.52 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 7.16 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 222 K 8.38 4.19 0.00 1.73 1.71 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.58 7.81 223 N 9.31 4.28 0.00 2.82 2.82 0.00 0.00 6.78 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 K 7.42 4.35 0.00 1.73 1.90 0.00 1.66 0.00 0.00 1.27 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 225 P 0.00 4.59 0.00 2.13 2.12 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 226 G 8.44 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 0.00 227 V 7.62 4.33 0.67 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 0.17 0.00 0.00 -0.83 0.00 0.00 228 Y 8.08 4.98 0.00 1.43 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 0.00 0.00 0.00 0.00 229 T 8.57 4.38 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 1.22 0.00 0.00 230 K 9.23 5.08 0.00 2.14 1.97 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.63 7.81 231 V 8.76 3.97 2.41 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 1.15 0.00 0.00 1.15 0.00 0.00 232 C 8.40 4.29 0.00 3.16 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 0.00 233 N 7.91 4.31 0.00 2.38 2.34 0.00 0.00 6.87 6.91 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 0.00 234 Y 8.04 4.90 0.00 3.11 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 0.00 235 V 7.92 3.68 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 1.12 0.00 0.00 1.10 0.00 0.00 236 S 8.09 4.12 0.00 3.98 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 0.00 237 W 8.30 4.18 0.00 3.50 3.63 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 0.00 238 I 8.35 2.92 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.98 0.71 0.00 0.00 239 K 8.09 3.71 0.00 1.78 1.78 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.56 7.81 240 Q 7.93 3.85 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 241 T 7.56 3.75 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 242 I 7.35 2.55 0.66 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.50 -0.35 0.00 0.00 243 A 7.46 4.15 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 0.00 244 S 7.33 4.71 0.00 3.83 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 0.00 245 N 7.90 4.69 0.00 3.03 3.01 0.00 0.00 6.93 7.24 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 * Residues marked with a * may have inaccurate shift predictions.