NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2923 7.8827 121.4480 61.1898 38.8137 173.8059 17 V 4.2466 8.6371 125.4544 61.5975 33.0646 174.1977 18 G 4.0000 8.3519 113.7438 46.2675 0.0000 173.1243 19 G 4.2048 7.8668 110.2741 43.6742 0.0000 172.5112 20 Y 4.9717 7.8150 116.3693 55.0221 42.0742 174.9017 21 T 4.3585 8.5699 116.9471 63.7643 68.4324 175.4961 22 C 4.3217 8.5890 125.4016 60.0411 36.4830 175.1382 23 G 4.1106 8.5667 105.9945 44.2422 0.0000 172.8076 24 A 4.0671 8.5762 125.4334 53.6408 18.6340 176.9408 25 N 4.2503 8.8611 119.4196 54.5142 36.2165 175.3024 26 T 4.2160 7.5504 107.5379 62.6329 69.8633 175.1309 27 V 4.0941 7.0267 122.0356 60.1627 31.3191 173.6875 28 P 4.5469 0.0000 0.0000 63.8378 31.9850 178.1055 29 Y 4.9823 6.8295 115.7589 56.4096 38.8556 174.7905 30 Q 4.5967 7.3111 123.4043 56.3694 29.2752 175.3651 31 V 4.8689 8.9416 118.3161 59.6413 36.5012 174.1218 32 S 5.0256 8.7098 116.2667 56.5789 65.2747 172.4976 33 L 4.5858 8.4080 127.2378 53.1153 43.4804 174.9973 34 N 5.9322 8.8482 122.1535 49.9378 42.3032 174.8176 *37 S 4.2439 8.4059 119.6580 58.4017 64.1529 174.4733 38 G 4.0112 9.6122 108.2517 45.8648 0.0000 172.5385 39 Y 4.4334 6.7187 115.7064 56.4692 39.8099 172.1481 40 H 4.5971 8.8451 121.2082 55.7271 30.3586 174.5364 41 F 4.9698 7.7221 120.5135 57.1483 39.9692 174.0530 42 C 4.7388 6.7995 114.9729 55.9643 45.0265 172.9501 43 G 4.3731 8.4706 108.7477 45.0288 0.0000 172.1184 44 G 4.5100 7.6444 102.5135 46.4786 0.0000 172.6000 45 S 5.5027 8.6491 115.3158 56.4482 66.8615 173.6104 46 L 4.6910 9.0997 127.2795 54.6811 42.4625 177.0431 47 I 4.4838 8.4950 119.5171 61.0314 38.7283 174.3799 48 N 4.7440 7.5275 117.4724 52.2341 39.5693 174.7895 49 S 4.0863 8.6082 111.4621 60.2311 63.4642 174.5170 50 Q 4.5490 9.1191 121.4134 55.3457 30.8694 174.3270 51 W 5.5698 8.3361 117.2651 55.6223 33.5552 174.3711 52 V 5.1918 9.1112 122.6485 61.0926 34.8333 174.3629 53 V 4.9615 8.7498 125.9582 60.5119 33.6367 174.8976 54 S 5.1136 9.0869 117.1246 57.8096 66.0904 171.9196 55 A 4.7435 8.5022 120.4519 50.4508 20.7084 178.3418 56 A 3.8283 8.3133 124.3610 55.3010 18.4595 179.0303 57 H 4.5560 8.2374 108.7488 56.9350 28.6141 175.2159 58 C 4.7497 7.8147 117.0184 57.0374 40.6904 173.4228 59 Y 4.0993 7.7062 122.2694 57.6284 38.7483 175.0345 60 K 3.7240 6.5547 123.6701 56.5307 34.6007 173.8811 61 S 4.4307 8.1961 113.8553 57.6871 64.9958 173.2107 62 G 3.6459 8.3930 106.2489 46.7217 0.0000 173.5332 63 I 4.3641 7.4853 119.4343 59.6855 39.4841 175.1807 64 Q 4.7905 8.6806 127.7359 54.1968 31.8048 174.0528 65A V 4.4461 8.8606 126.7964 61.5774 33.7475 174.5503 65 R 5.0252 8.8034 127.1179 54.7152 32.3689 175.1674 66 L 4.7110 9.0688 124.9028 52.7461 44.7213 177.2326 *69 G 3.8968 8.2064 105.5960 46.3437 0.0000 172.8092 70 E 4.7096 8.4512 118.6707 55.0593 30.7987 174.1938 71 D 4.7273 7.7881 116.9988 55.2357 43.7020 174.1776 72 N 5.0695 8.5093 120.3408 52.9003 39.2321 176.1411 73 I 3.9061 8.4030 119.9613 62.3127 37.8169 176.2822 74 N 4.7719 8.7020 118.0496 53.0261 39.3562 174.7628 75 V 4.3197 7.4116 117.2489 60.7017 34.1794 174.9005 76 V 4.1676 8.3996 126.6704 62.3042 31.2889 175.1208 77 E 4.3927 9.0132 127.0154 55.4068 30.7686 176.7670 78 G 3.9836 8.4926 106.1199 45.8586 0.0000 173.9261 79 N 4.6319 8.9750 116.9320 52.6044 36.7359 174.5906 80 E 4.5483 7.5873 116.8049 56.4079 30.6962 176.4070 81 Q 4.4194 9.0035 120.9320 54.3643 33.0777 173.9191 82 F 5.5349 8.9368 122.9159 55.9711 41.0664 175.1034 83 I 4.7013 8.7994 124.7892 59.4334 40.9626 175.5793 84 S 4.6457 8.6451 121.7113 58.1330 64.3596 173.2420 85 A 4.3853 8.1854 124.5647 52.1698 18.5609 177.5854 86 S 4.4788 9.0656 117.2728 60.1942 63.4172 174.4290 87 K 4.7381 7.5605 116.3216 55.7344 35.8030 174.8202 88 S 5.2044 8.7652 117.1465 56.9562 66.1191 173.7335 89 I 4.4935 9.2493 125.6073 59.4621 39.0593 174.8775 90 V 4.1856 8.3204 127.2876 62.2018 32.6341 175.2045 91 H 3.9873 8.6134 126.9388 55.9949 30.0186 174.4251 92 P 4.3037 0.0000 0.0000 65.4631 31.3701 177.1357 93 S 4.7133 7.9147 111.8794 58.2345 63.3002 173.3089 94 Y 4.3092 7.9979 123.1643 57.5742 39.0299 174.3016 95 N 4.4885 8.1320 125.6539 51.4497 39.9551 175.0531 96 S 3.9307 7.7765 119.9337 59.3267 63.6661 175.0280 97 N 4.4015 8.4212 119.4559 55.3201 38.6532 176.1084 98 T 3.9845 7.7562 105.5570 60.7797 69.9781 174.9158 99 L 3.7724 7.8249 120.8775 55.5070 39.7194 173.9072 100 N 4.5023 7.6325 117.6042 54.5301 39.5993 174.4894 101 N 4.7037 8.6508 119.4388 54.2094 35.8743 175.5936 102 D 4.7090 7.9240 117.5415 53.0954 39.7114 174.8385 103 I 4.8303 7.1611 120.9540 59.2603 42.4658 173.0411 104 M 5.4027 9.1413 126.3278 54.1576 36.3179 173.3289 105 L 5.4578 9.1223 124.2591 53.1194 45.2165 175.4052 106 I 5.0134 9.1606 123.4347 59.4415 40.7643 174.2564 107 K 3.7291 8.6689 128.4357 54.4535 33.8292 175.3951 108 L 4.4401 8.1808 127.3779 53.7728 42.3169 176.9558 109 K 4.0595 8.7633 124.2565 59.1611 32.5598 177.0680 110 S 4.6769 7.7260 112.3703 56.1613 66.9039 173.2118 111 A 4.4885 8.2976 123.1261 51.9138 18.9812 177.2762 112 A 4.4482 8.8027 122.2103 51.5275 20.2322 177.4753 113 S 4.5714 8.9911 116.5104 57.3319 63.5665 174.5414 114 L 4.6430 8.5049 125.5070 54.1451 42.7674 176.5664 115 N 4.7673 8.7938 118.5027 52.6790 39.3757 174.9498 116 S 3.9714 8.7398 111.0007 60.7674 63.6411 174.9214 117 R 4.2804 8.8188 119.9852 56.4467 30.8641 175.9291 118 V 4.5369 7.7163 117.1316 61.0016 33.6654 173.6782 119 A 5.1392 8.5708 128.2988 50.4883 23.0160 175.1134 120 S 5.0824 8.6766 114.1173 57.6085 65.0633 173.0202 121 I 4.4840 8.2293 120.5320 59.2837 39.8844 175.2652 122 S 4.5574 8.2984 122.4115 57.5995 64.0338 173.9294 123 L 4.3568 8.0816 122.9326 53.4455 42.4263 175.3197 124 P 4.5632 0.0000 0.0000 62.8737 32.4946 176.1375 125 T 4.2484 8.1904 107.9090 62.0152 70.2067 174.3605 *127 S 4.8449 7.5741 114.9788 58.1965 64.0041 173.9798 128 C 4.4634 8.4160 118.0863 56.5832 40.8431 173.2076 129 A 4.5638 7.9324 123.8270 51.1423 20.2480 177.2943 130 S 4.3683 8.0362 115.4861 57.2385 64.6285 173.5988 *132 A 4.3094 8.1613 124.1301 53.4018 19.2614 176.7344 133 G 4.0445 9.1288 109.6136 45.5050 0.0000 174.6538 134 T 3.9120 7.6084 116.7731 63.9890 69.5014 173.1298 135 Q 4.7515 8.5567 126.9688 55.2550 30.4627 175.0762 136 C 5.2855 9.2664 122.7248 55.1101 46.6441 172.2584 137 L 5.2000 8.9785 122.2003 53.5155 44.2428 174.9540 138 I 5.2287 8.9814 127.1432 58.7940 39.9429 174.8670 139 S 4.9518 8.9103 119.5555 56.1700 66.5395 173.1695 140 G 3.8368 7.3789 109.3455 46.0229 0.0000 172.6213 141 W 5.0164 8.4478 117.2172 56.3161 29.3174 177.1826 142 G 4.1311 8.2172 108.9777 44.2760 0.0000 173.5275 143 N 3.8682 8.5476 118.3718 54.2874 38.9666 174.5096 144 T 5.0760 8.2093 112.7230 60.3964 69.4016 174.1146 145 K 4.6328 7.8063 121.2629 54.7773 34.9073 176.3246 146 S 4.3141 8.7628 117.7211 60.4436 63.5617 174.5944 147 S 4.5161 8.9413 117.4695 54.5819 62.2029 173.5682 148 G 3.9546 7.2310 110.5421 43.5400 0.0000 169.9076 149 T 4.5119 7.9581 110.5067 59.9302 70.9105 173.7936 150 S 4.5286 9.4711 122.2465 56.9282 65.6372 171.9727 151 Y 4.9711 8.8007 125.0809 55.5861 39.8457 174.2471 152 P 4.7260 0.0000 0.0000 62.3268 33.1032 175.6143 153 D 4.6249 8.6939 117.9181 55.9045 41.5499 177.1496 154 V 5.5633 7.3897 109.8736 58.3516 34.6704 175.7126 155 L 3.2215 8.2886 124.1855 55.0500 42.9662 175.9242 156 K 4.8674 8.0553 124.4313 54.8458 35.2984 174.5256 157 C 5.3049 8.5261 119.4832 55.2538 45.0856 172.8983 158 L 4.9512 8.4650 121.8225 53.9261 45.6445 174.2700 159 K 5.1102 8.9495 125.1586 55.0538 33.7639 175.6712 160 A 4.8025 8.9865 125.8047 49.8743 23.1321 173.5594 161 P 5.0855 0.0000 0.0000 61.7538 34.2018 174.8349 162 I 4.4875 8.2337 122.0175 61.1587 38.2694 176.0501 163 L 4.8141 8.6480 127.3448 53.3708 43.4700 176.7093 164 S 4.4552 8.3910 114.4602 57.8921 64.1575 175.0667 165 D 4.4555 8.7115 121.7709 57.5645 40.4748 179.2664 166 S 4.1378 8.0201 114.3872 61.5945 63.1297 176.6614 167 S 4.0981 7.8687 118.9234 61.2084 62.5811 175.7563 168 C 4.2745 8.2740 121.1175 59.8890 41.5067 175.9149 169 K 3.9792 8.4060 120.2023 59.5721 31.3637 179.5468 170 S 4.1965 8.1070 114.4998 60.9766 62.7791 175.9450 171 A 4.0925 7.6349 122.7742 53.3108 20.0185 177.2006 172 Y 4.9298 7.8653 113.9245 55.5063 38.2996 173.5301 173 P 4.6567 0.0000 0.0000 63.6004 32.1483 177.9197 174 G 3.9762 9.0056 109.1082 46.0351 0.0000 173.6325 175 Q 4.5317 8.2274 116.7260 55.4424 30.0706 175.3198 176 I 4.4582 7.8185 119.8072 59.9048 38.5504 175.2881 177 T 4.5895 8.1996 115.1574 59.5943 71.0212 175.0033 178 S 4.4357 8.5504 114.2861 59.8896 63.1579 174.2258 179 N 5.0099 8.1710 118.4287 53.4050 38.6040 173.7629 180 M 5.6481 7.7883 117.1693 54.0443 36.4488 174.3760 181 F 5.0610 8.6463 114.1507 56.2303 41.9099 172.3931 182 C 5.5632 9.0448 116.4013 55.6946 41.6451 172.6967 183 A 4.9721 8.9716 121.5725 51.2021 22.5115 176.3462 184A G 3.6429 6.9829 107.2287 44.7038 0.0000 172.2252 184 Y 4.6669 8.3432 118.9261 56.0750 40.9656 176.4280 185 L 4.2012 8.6284 125.0230 56.8502 42.0449 178.5030 186 E 4.1806 8.2141 115.3956 56.8580 30.1543 177.1524 187 G 3.7845 7.5874 107.0706 45.0770 0.0000 172.0026 188A G 4.1596 9.2550 105.7444 44.6674 0.0000 173.6632 188 K 4.9968 7.2581 117.2344 54.7082 35.5100 175.3588 189 D 4.5834 8.7042 123.2953 54.1317 45.7973 174.9082 190 S 4.9196 8.7326 116.5288 57.9386 65.4804 172.8913 191 C 4.7557 9.0634 118.4940 55.5353 45.9503 172.3282 192 Q 4.4427 8.5465 117.9385 58.0903 28.2839 177.0459 193 G 4.2269 9.2683 108.8915 45.8453 0.0000 174.1034 194 D 4.6861 8.3131 118.4874 55.3642 41.6975 176.5891 195 S 4.4012 8.0144 114.9497 60.1544 63.4987 175.6029 196 G 4.0346 8.8036 112.4289 46.4414 0.0000 173.7660 197 G 4.4442 7.8316 107.5798 44.9861 0.0000 171.2560 198 P 5.1755 0.0000 0.0000 62.2235 33.6799 175.6925 199 V 4.5774 8.2992 120.1598 61.4591 34.4074 173.8231 200 V 4.8589 8.7242 128.6935 61.2420 34.1122 173.7175 201 C 5.1102 8.7676 124.2841 55.7982 44.0197 174.5654 202 S 3.5869 9.8584 119.9839 59.6903 60.1995 173.1444 203 G 3.9125 8.4109 103.8293 45.7835 0.0000 173.9117 204 K 4.6749 7.7265 117.8974 52.9719 35.1960 175.5377 *209 L 4.2844 8.2656 122.6632 55.4583 42.2614 175.7556 210 Q 4.5345 8.7460 125.9787 56.4264 30.9616 175.8104 211 G 5.3985 8.1036 103.6852 45.5047 0.0000 171.9645 212 I 5.0514 8.1346 119.0793 58.9738 41.5251 175.2177 213 V 3.8559 8.9380 127.3537 64.0138 31.8098 174.2035 214 S 4.8113 8.4512 120.6587 58.5490 64.3672 173.9420 215 W 4.8775 7.2325 114.0311 55.8478 31.9074 172.2075 216 G 3.8650 8.3764 106.2261 46.5193 0.0000 173.7015 217 S 4.6411 8.3630 116.6278 57.0221 62.5394 173.9082 *219 G 4.1654 7.9269 115.3040 45.4705 0.0000 170.5186 220 C 4.9620 8.0860 115.0632 56.3228 45.1813 173.9304 221A A 3.6853 9.1487 126.4263 53.2411 16.5289 177.0626 221 Q 4.6098 7.2562 114.5336 56.0201 30.0367 175.9310 222 K 4.1069 8.4041 121.7426 57.8623 32.7263 176.2931 223 N 4.2620 9.1972 121.6561 54.0116 36.8979 175.3111 224 K 4.2502 7.5032 118.0001 53.4915 32.3045 173.9028 225 P 4.5577 0.0000 0.0000 62.0436 32.9167 176.9679 226 G 3.7120 8.1402 104.4383 45.6777 0.0000 172.8954 227 V 4.4215 7.5267 121.3295 60.6879 34.2770 174.0992 228 Y 4.9519 8.2293 124.1513 56.0331 42.0894 174.9352 229 T 4.4693 8.5473 119.4285 63.5220 70.1485 174.4698 230 K 5.0009 9.3169 128.3376 55.3445 31.3459 177.1456 231 V 3.9497 8.7620 126.2094 65.9104 31.3770 174.8961 232 C 4.2969 8.3490 112.6629 58.4147 41.4300 174.9715 233 N 4.2063 7.9759 116.7535 54.6164 38.4925 175.6275 234 Y 4.8001 7.9567 117.5221 57.3874 38.6530 177.2856 235 V 3.6581 7.8864 121.0995 66.4655 31.5523 178.0008 236 S 4.1351 8.1168 114.1928 61.1661 62.6470 176.3280 237 W 4.1425 8.2609 130.5543 60.5302 30.5049 177.7823 238 I 3.1518 8.3165 120.0072 64.2307 36.5604 178.4227 239 K 3.7251 8.1578 119.3823 59.6905 31.8312 179.4680 240 Q 3.8717 8.2299 118.4414 59.1092 28.3733 178.9393 241 T 3.5460 7.4225 116.0474 66.5453 68.6272 176.4869 242 I 2.7928 7.3324 121.6952 63.9486 36.7496 178.3963 243 A 4.0203 7.7727 120.7896 54.2359 18.2002 178.7453 244 S 4.6236 7.3222 109.8641 58.3456 63.5808 174.1131 245 N 4.6776 7.9349 125.2380 53.8498 39.2981 174.0064 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 4.29 1.79 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 1.47 0.67 0.90 0.00 0.00 17 V 8.64 4.25 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 1.02 0.00 0.00 0.95 0.00 0.00 18 G 8.35 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.87 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 0.00 0.00 0.00 0.00 20 Y 7.81 4.97 0.00 2.92 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 21 T 8.57 4.36 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 1.25 0.00 0.00 22 C 8.59 4.32 0.00 2.76 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 8.57 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 24 A 8.58 4.07 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.86 4.25 0.00 2.86 2.90 0.00 0.00 7.33 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 26 T 7.55 4.22 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 7.03 4.09 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 0.31 0.00 0.00 0.78 0.00 0.00 28 P 0.00 4.55 0.00 2.38 2.42 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.96 0.00 29 Y 6.83 4.98 0.00 3.15 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 30 Q 7.31 4.60 0.00 1.80 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.53 0.00 0.00 0.00 0.00 0.00 1.98 2.52 0.00 31 V 8.94 4.87 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 0.87 0.00 0.00 0.97 0.00 0.00 32 S 8.71 5.03 0.00 3.03 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.41 4.59 0.00 0.55 0.93 0.82 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.85 5.93 0.00 2.39 2.30 0.00 0.00 6.53 7.06 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 *37 S 8.41 4.24 0.00 3.87 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 38 G 9.61 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 39 Y 6.72 4.43 0.00 3.04 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.85 4.60 0.00 2.84 3.16 0.00 5.86 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.72 4.97 0.00 3.02 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 42 C 6.80 4.74 0.00 2.30 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.47 4.37 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 0.00 44 G 7.64 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.65 5.50 0.00 3.82 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 9.10 4.69 0.00 1.87 1.67 1.07 0.85 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 47 I 8.50 4.48 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 1.55 0.91 0.95 0.00 0.00 48 N 7.53 4.74 0.00 2.99 3.00 0.00 0.00 6.13 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 49 S 8.61 4.09 0.00 4.05 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 0.00 50 Q 9.12 4.55 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 51 W 8.34 5.57 0.00 3.26 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 9.11 5.19 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 1.12 0.00 0.00 0.98 0.00 0.00 53 V 8.75 4.96 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 0.75 0.00 0.00 1.02 0.00 0.00 54 S 9.09 5.11 0.00 3.87 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 55 A 8.50 4.74 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 56 A 8.31 3.83 0.26 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 57 H 8.24 4.56 0.00 3.38 3.54 0.00 5.55 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.81 4.75 0.00 3.22 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 59 Y 7.71 4.10 0.00 2.99 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 6.55 3.72 0.00 1.51 1.37 0.00 0.63 0.00 0.00 1.29 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.61 0.92 7.81 61 S 8.20 4.43 0.00 3.92 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 62 G 8.39 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.49 4.36 1.84 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 1.37 1.17 0.91 0.00 0.00 64 Q 8.68 4.79 0.00 2.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 65A V 8.86 4.45 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 0.94 0.00 0.00 0.88 0.00 0.00 65 R 8.80 5.03 0.00 1.61 1.69 0.00 2.65 0.00 0.00 2.35 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.12 0.00 66 L 9.07 4.71 0.00 1.62 1.62 0.96 0.64 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 *69 G 8.21 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 0.00 0.00 0.00 70 E 8.45 4.71 0.00 2.09 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 2.33 2.07 0.00 71 D 7.79 4.73 0.00 2.72 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 72 N 8.51 5.07 0.00 2.86 2.82 0.00 0.00 7.22 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 73 I 8.40 3.91 1.43 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.55 -0.49 0.00 0.00 74 N 8.70 4.77 0.00 2.80 2.88 0.00 0.00 6.64 7.73 0.00 0.00 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 7.41 4.32 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 0.73 0.00 0.00 0.99 0.00 0.00 76 V 8.40 4.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.94 0.00 0.00 77 E 9.01 4.39 0.00 2.00 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 2.27 2.42 0.00 78 G 8.49 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 0.00 0.00 0.00 79 N 8.97 4.63 0.00 2.89 3.20 0.00 0.00 6.94 7.67 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 80 E 7.59 4.55 0.00 1.53 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 81 Q 9.00 4.42 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 82 F 8.94 5.53 0.00 2.77 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.80 4.70 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.70 0.94 0.00 0.00 84 S 8.65 4.65 0.00 3.75 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.39 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 86 S 9.07 4.48 0.00 3.71 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 7.56 4.74 0.00 1.86 1.84 0.00 1.58 0.00 0.00 1.93 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.38 7.81 88 S 8.77 5.20 0.00 4.06 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 89 I 9.25 4.49 2.06 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.01 1.08 0.00 0.00 90 V 8.32 4.19 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 0.60 0.00 0.00 0.77 0.00 0.00 91 H 8.61 3.99 0.00 2.87 3.08 0.00 5.65 0.00 0.00 0.00 0.00 6.72 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 4.30 0.00 2.07 2.14 0.00 3.16 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 93 S 7.91 4.71 0.00 3.91 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 94 Y 8.00 4.31 0.00 2.94 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.13 4.49 0.00 2.59 2.44 0.00 0.00 6.55 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 7.78 3.93 0.00 3.95 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 4.40 0.00 2.72 2.78 0.00 0.00 6.78 7.00 0.00 0.00 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 7.76 3.98 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 1.14 0.00 0.00 99 L 7.82 3.77 0.00 1.52 1.90 0.57 1.36 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 0.00 100 N 7.63 4.50 0.00 2.75 2.64 0.00 0.00 7.27 6.60 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 0.00 101 N 8.65 4.70 0.00 3.04 2.62 0.00 0.00 7.22 8.30 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 0.00 102 D 7.92 4.71 0.00 3.07 2.67 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 0.00 103 I 7.16 4.83 1.45 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.23 0.18 0.00 0.00 104 M 9.14 5.40 0.00 2.12 1.83 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 2.64 0.00 105 L 9.12 5.46 0.00 1.82 1.84 0.30 0.83 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 0.00 106 I 9.16 5.01 1.91 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 1.19 0.85 0.87 0.00 0.00 107 K 8.67 3.73 0.00 0.79 1.09 0.00 1.32 0.00 0.00 1.34 0.00 0.00 2.61 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.65 0.21 7.81 108 L 8.18 4.44 0.00 1.46 1.55 0.97 0.84 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 0.00 109 K 8.76 4.06 0.00 1.79 1.80 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.38 7.81 110 S 7.73 4.68 0.00 3.81 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 0.00 111 A 8.30 4.49 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 0.00 112 A 8.80 4.45 1.27 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 0.00 0.00 113 S 8.99 4.57 0.00 3.75 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 8.50 4.64 0.00 1.66 1.62 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.79 4.77 0.00 2.87 2.91 0.00 0.00 6.75 7.31 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 0.00 116 S 8.74 3.97 0.00 4.02 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 0.00 117 R 8.82 4.28 0.00 2.04 2.01 0.00 3.12 0.00 0.00 3.10 7.36 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.57 4.84 0.00 4.00 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 0.00 128 C 8.42 4.46 0.00 2.94 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 0.00 129 A 7.93 4.56 1.04 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 0.00 130 S 8.04 4.37 0.00 3.84 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.31 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 9.13 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 0.00 134 T 7.61 3.91 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 135 Q 8.56 4.75 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 136 C 9.27 5.29 0.00 2.79 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 0.00 137 L 8.98 5.20 0.00 1.75 1.55 1.04 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.98 5.23 1.87 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.76 0.96 0.00 0.00 139 S 8.91 4.95 0.00 3.49 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.38 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 0.00 141 W 8.45 5.02 0.00 3.12 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 0.00 142 G 8.22 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 0.00 0.00 0.00 143 N 8.55 3.87 0.00 2.16 2.59 0.00 0.00 6.99 7.95 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 0.00 144 T 8.21 5.08 4.21 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 1.27 0.00 0.00 145 K 7.81 4.63 0.00 1.66 1.69 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.29 1.33 7.81 146 S 8.76 4.31 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 8.94 4.52 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 7.23 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 7.96 4.51 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 1.28 0.00 0.00 150 S 9.47 4.53 0.00 3.77 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.80 4.97 0.00 2.92 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 0.00 152 P 0.00 4.73 0.00 2.44 2.10 0.00 4.17 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.03 0.00 153 D 8.69 4.62 0.00 2.80 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 0.00 154 V 7.39 5.56 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 1.08 0.00 0.00 0.97 0.00 0.00 155 L 8.29 3.22 0.00 1.40 1.26 -0.83 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.06 4.87 0.00 1.65 1.50 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.46 7.81 157 C 8.53 5.30 0.00 1.38 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 0.00 0.00 0.00 0.00 158 L 8.47 4.95 0.00 1.72 1.45 1.02 0.81 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 0.00 159 K 8.95 5.11 0.00 1.82 1.81 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.64 7.81 160 A 8.99 4.80 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 0.00 161 P 0.00 5.09 0.00 2.02 2.26 0.00 3.20 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 162 I 8.23 4.49 1.88 0.00 0.00 0.44 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 0.53 0.77 0.00 0.00 163 L 8.65 4.81 0.00 1.56 1.61 0.92 1.16 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 0.00 164 S 8.39 4.46 0.00 4.01 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 0.00 165 D 8.71 4.46 0.00 2.76 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 8.02 4.14 0.00 4.05 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 0.00 167 S 7.87 4.10 0.00 3.98 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 C 8.27 4.27 0.00 3.19 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 0.00 169 K 8.41 3.98 0.00 1.93 1.90 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.65 7.81 170 S 8.11 4.20 0.00 4.02 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 0.00 171 A 7.63 4.09 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 7.87 4.93 0.00 3.12 3.03 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 0.00 173 P 0.00 4.66 0.00 2.21 2.11 0.00 3.59 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 174 G 9.01 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 0.00 0.00 0.00 175 Q 8.23 4.53 0.00 2.41 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.03 0.00 0.00 0.00 0.00 0.00 2.28 2.54 0.00 176 I 7.82 4.46 1.98 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 1.87 0.97 1.01 0.00 0.00 177 T 8.20 4.59 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 1.24 0.00 0.00 178 S 8.55 4.44 0.00 4.01 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 8.17 5.01 0.00 3.06 3.09 0.00 0.00 6.66 8.24 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 0.00 180 M 7.79 5.65 0.00 1.80 1.99 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 2.65 2.61 0.00 181 F 8.65 5.06 0.00 3.01 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 9.04 5.56 0.00 2.98 3.08 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 0.00 183 A 8.97 4.97 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 184A G 6.98 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 4.67 0.00 2.97 3.03 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 0.00 185 L 8.63 4.20 0.00 1.73 1.72 0.91 0.87 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 0.00 186 E 8.21 4.18 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 2.32 2.26 0.00 187 G 7.59 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 188A G 9.25 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 0.00 188 K 7.26 5.00 0.00 1.47 1.65 0.00 0.89 0.00 0.00 1.40 0.00 0.00 2.41 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.19 1.11 7.81 189 D 8.70 4.58 0.00 2.79 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 4.92 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 0.00 191 C 9.06 4.76 0.00 2.95 3.08 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 0.00 192 Q 8.55 4.44 0.00 2.42 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 5.24 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 193 G 9.27 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 0.00 0.00 0.00 194 D 8.31 4.69 0.00 2.99 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 8.01 4.40 0.00 3.96 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 0.00 196 G 8.80 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 0.00 197 G 7.83 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 5.18 0.00 2.29 2.33 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 199 V 8.30 4.58 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.60 0.00 0.00 200 V 8.72 4.86 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 0.85 0.00 0.00 0.64 0.00 0.00 201 C 8.77 5.11 0.00 2.80 2.85 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 0.00 202 S 9.86 3.59 0.00 3.93 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 0.00 203 G 8.41 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 0.00 0.00 0.00 204 K 7.73 4.67 0.00 1.70 1.64 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.40 7.81 *209 L 8.27 4.28 0.00 1.51 1.64 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 8.75 4.53 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.35 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 211 G 8.10 5.40 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 0.00 212 I 8.13 5.05 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.01 1.01 0.00 0.00 213 V 8.94 3.86 2.36 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 0.94 0.00 0.00 1.20 0.00 0.00 214 S 8.45 4.81 0.00 3.90 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 7.23 4.88 0.00 3.36 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 0.00 216 G 8.38 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 0.00 0.00 0.00 217 S 8.36 4.64 0.00 4.17 4.02 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 *219 G 7.93 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 0.00 0.00 0.00 220 C 8.09 4.96 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 9.15 3.69 1.36 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 0.00 221 Q 7.26 4.61 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.30 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 222 K 8.40 4.11 0.00 1.72 1.71 0.00 1.93 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.55 7.81 223 N 9.20 4.26 0.00 2.81 2.81 0.00 0.00 6.77 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 K 7.50 4.25 0.00 1.67 1.81 0.00 1.66 0.00 0.00 1.31 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.50 7.81 225 P 0.00 4.56 0.00 2.23 2.11 0.00 3.59 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 2.09 1.96 0.00 226 G 8.14 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 0.00 0.00 0.00 227 V 7.53 4.42 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 0.50 0.00 0.00 -0.56 0.00 0.00 228 Y 8.23 4.95 0.00 1.43 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 0.00 229 T 8.55 4.47 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 230 K 9.32 5.00 0.00 2.06 1.91 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.65 7.81 231 V 8.76 3.95 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 1.18 0.00 0.00 1.14 0.00 0.00 232 C 8.35 4.30 0.00 3.17 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 7.98 4.21 0.00 2.37 2.38 0.00 0.00 6.98 7.36 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 0.00 234 Y 7.96 4.80 0.00 3.08 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 0.00 235 V 7.89 3.66 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 1.13 0.00 0.00 1.11 0.00 0.00 236 S 8.12 4.14 0.00 3.97 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 0.00 237 W 8.26 4.14 0.00 3.52 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 I 8.32 3.15 2.03 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 1.68 1.14 0.76 0.00 0.00 239 K 8.16 3.73 0.00 1.90 1.78 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.60 7.81 240 Q 8.23 3.87 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 241 T 7.42 3.55 3.55 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 0.78 0.00 0.00 242 I 7.33 2.79 1.42 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.40 0.36 0.00 0.00 243 A 7.77 4.02 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 7.32 4.62 0.00 3.98 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 0.00 245 N 7.93 4.68 0.00 3.04 3.02 0.00 0.00 6.76 8.92 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 * Residues marked with a * may have inaccurate shift predictions.