NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2493 7.8827 121.4538 61.2072 38.4975 173.8963 17 V 4.1414 9.0333 126.8979 62.3094 32.0360 174.6582 18 G 3.9622 9.1444 115.3640 46.0581 0.0000 172.9748 19 G 4.3764 7.7236 108.2147 45.0845 0.0000 172.8455 20 Y 5.1113 7.6419 117.4544 55.0060 42.1293 175.2227 21 T 4.2288 8.5883 117.2662 64.1058 68.4345 175.4609 22 C 4.3094 8.7516 124.9575 59.4125 34.9543 175.0423 23 G 4.0840 8.4205 107.8725 44.7070 0.0000 172.7987 24 A 4.3031 8.5369 127.1481 53.8303 17.6265 176.8205 25 N 4.3108 8.9754 118.3362 54.2531 36.1395 175.8655 26 T 3.8909 7.6724 107.6998 62.6741 69.9974 175.1498 27 V 4.1192 6.8005 122.5703 60.3096 31.2286 174.0873 28 P 4.4649 0.0000 0.0000 64.7826 31.9136 177.9216 29 Y 4.8861 7.0436 115.7060 56.0543 38.6142 174.3959 30 Q 4.4839 7.4970 123.4704 56.2157 29.6671 175.4530 31 V 4.8657 9.0365 119.2797 59.6425 36.0318 174.2644 32 S 4.9812 8.5974 117.3914 56.5706 64.5879 172.8082 33 L 4.3621 8.5868 128.1065 53.7670 43.0629 175.3559 34 N 5.5651 8.7932 121.9363 49.8884 42.4062 174.9016 *37 S 4.4303 8.4626 120.5234 58.4790 64.1759 174.4346 38 G 4.0565 8.9718 107.5097 45.9544 0.0000 172.5567 39 Y 4.4421 6.4630 114.0859 56.3983 40.8272 172.4442 40 H 4.5358 8.7862 121.3350 55.9346 30.3790 174.6530 41 F 4.9658 7.7819 120.1657 57.0010 39.8985 173.8108 42 C 4.7079 6.8535 115.0975 56.4046 41.1803 172.8487 43 G 4.1359 8.5596 108.2733 46.8171 0.0000 171.8122 44 G 4.6490 7.8128 105.4973 46.6789 0.0000 172.6203 45 S 5.4685 8.8122 115.1305 56.5319 67.2328 173.5972 46 L 4.8361 9.0415 126.5526 54.5336 42.6082 176.9823 47 I 4.3916 8.4344 119.2939 60.5878 38.8873 174.3131 48 N 4.6067 7.5823 117.7292 52.2772 39.4121 175.0691 49 S 4.3495 8.5430 112.1510 60.7579 63.0681 174.9814 50 Q 4.5654 8.8171 117.8307 55.0234 31.6272 174.5852 51 W 5.5613 8.6821 119.2769 54.9852 33.6797 174.1512 52 V 5.0653 9.0111 124.0779 61.1010 33.8971 174.4551 53 V 4.9359 8.5908 126.5828 60.5599 34.1025 174.9688 54 S 4.8184 8.8203 116.3504 57.6898 66.2852 172.0280 55 A 4.8692 8.4584 120.8948 50.3886 20.7109 178.1859 56 A 3.8458 8.3263 124.0442 55.3722 18.4180 179.4899 57 H 4.4964 8.5169 110.0174 57.6777 28.6413 175.4560 58 C 4.6344 7.8243 116.9653 57.3271 40.4846 173.2532 59 Y 4.0870 7.6392 122.5251 57.7421 38.6238 175.2301 60 K 3.6156 6.9896 124.2353 55.8556 34.9709 174.6342 61 S 4.3035 8.0029 114.5974 57.9826 64.4169 173.2157 62 G 3.7312 8.3121 105.9999 46.8483 0.0000 173.5593 63 I 4.5319 7.5378 119.5778 59.4969 39.6907 174.9983 64 Q 4.6740 8.5686 128.3637 54.2757 31.0785 174.3429 65 V 4.2155 8.4949 127.3103 62.3683 33.2428 174.6867 65A R 5.0485 8.7016 127.3115 54.7122 32.0829 175.3799 66 L 4.6664 9.1655 125.0770 52.8831 44.3942 177.6105 *69 G 3.6512 8.3209 108.1067 45.4281 0.0000 172.8610 70 E 4.4889 8.2693 118.2341 55.2129 30.4010 174.0470 71 D 4.8231 8.2188 117.0954 55.0067 44.0165 174.8359 72 N 5.1137 7.8022 115.6130 53.1961 39.8969 175.7884 73 I 3.8995 8.3945 119.4077 62.1803 38.1034 176.2803 74 N 4.6651 7.9524 117.1382 53.4812 39.2474 174.9293 75 V 4.3587 7.2337 116.4765 60.6064 34.3090 174.8262 76 V 4.1108 8.4652 126.9099 62.7666 31.5944 175.2137 77 E 4.4503 9.5801 126.3808 55.5328 30.9573 176.7848 78 G 3.9006 8.2278 105.4153 46.1549 0.0000 173.7549 79 N 4.6364 8.6231 116.0505 52.7518 36.7875 175.1444 80 E 5.0389 7.4842 116.4205 56.0179 30.7726 176.5860 81 Q 4.3025 8.5178 120.4533 54.6107 33.1176 173.8235 82 F 5.5708 8.9465 123.7651 56.2357 40.3482 175.1688 83 I 4.6038 8.7146 125.5988 59.1833 40.3416 176.2583 84 S 4.6744 8.6961 122.3363 58.2346 64.4867 172.8088 85 A 4.7883 8.2837 123.8403 51.7469 18.5604 177.7322 86 S 4.6669 9.9391 116.7304 59.1069 64.9489 174.6059 87 K 4.6726 7.5966 117.7007 55.7576 35.5501 174.7317 88 S 5.2772 8.8350 117.9317 57.0112 65.9309 173.8556 89 I 4.4429 9.2740 125.7607 59.2535 38.6627 174.9745 90 V 3.9984 8.2102 127.1055 62.4814 32.5452 175.1223 91 H 4.0340 8.5704 127.1349 55.9427 29.9922 174.3887 92 P 4.2986 0.0000 0.0000 65.3146 31.3530 177.1867 93 S 4.7101 7.9968 111.5210 58.0461 63.1744 173.2898 94 Y 4.4302 8.0201 122.4973 57.8994 39.0810 174.9916 95 N 4.5246 8.3104 125.4066 51.3142 40.7822 175.3449 96 S 4.0362 7.9604 120.4646 60.7777 63.7454 175.4545 97 N 4.3385 8.8580 119.4349 56.1533 38.3787 176.3920 98 T 3.7813 7.7993 106.2386 61.8921 69.5551 175.4193 99 L 3.7931 8.1557 119.9398 55.0304 39.6856 173.8678 100 N 4.5147 7.5686 117.9337 54.5721 39.4006 174.5510 101 N 4.8506 8.6980 118.9618 54.5426 36.0488 175.2372 102 D 4.6548 8.0182 116.0918 53.1472 39.9782 174.5455 103 I 4.7986 6.8172 121.1552 59.4500 42.4485 173.6816 104 M 5.3118 9.1996 126.8468 54.2265 36.3710 173.1352 105 L 5.4445 8.9511 123.7480 53.1116 45.1940 175.3034 106 I 4.8798 8.9560 124.4901 59.4281 39.6043 174.6441 107 K 3.6046 8.7413 129.3649 55.4121 33.0989 175.9412 108 L 4.4263 7.9797 127.6918 54.0283 42.1666 177.1194 109 K 4.0683 8.6193 124.0202 58.9856 32.6284 176.9848 110 S 4.7141 7.7455 112.6219 55.9042 66.7509 173.1848 111 A 4.4312 8.2814 123.0529 52.0363 18.7619 177.4313 112 A 4.2775 8.7684 122.9207 51.6880 19.9369 178.0635 113 S 4.4885 8.9442 116.9991 57.3150 63.0071 174.5724 114 L 4.4731 8.4530 125.6471 54.6511 42.7879 176.9157 115 N 4.7937 8.7224 118.5169 52.6144 39.4956 174.7739 116 S 4.3476 8.7381 111.3840 60.5042 63.4826 174.5800 117 R 4.3864 8.5931 119.1458 56.0640 31.2668 176.1984 118 V 4.4138 7.7742 116.6543 61.1354 33.3198 173.4863 119 A 5.1541 8.5701 128.1698 50.4932 23.0284 174.9903 120 S 4.8797 8.6692 114.0996 57.2119 65.5435 172.9108 121 I 4.4388 8.0583 120.4169 59.0337 39.7147 175.4648 122 S 4.4108 8.4685 124.0254 58.5431 63.5429 173.9417 123 L 4.5449 8.3193 122.4709 53.4751 42.7596 174.8971 124 P 4.6123 0.0000 0.0000 62.5502 32.2013 176.1065 125 T 4.2426 8.1528 108.1005 62.0241 69.9246 174.4080 *127 S 4.3209 7.5587 115.3713 58.1036 64.0692 174.2504 128 C 4.3870 8.4497 118.7210 56.7927 40.6895 173.4996 129 A 4.3263 7.4861 124.9114 51.5864 19.1792 177.6965 130 S 4.3424 8.1373 115.2505 56.9681 64.9588 173.1716 *132 A 4.2763 8.1659 123.2744 53.4171 19.2438 176.8312 133 G 4.0244 9.1958 109.9083 45.4765 0.0000 174.5550 134 T 3.9676 7.7440 117.1472 63.7365 69.4309 173.4212 135 Q 4.7500 8.5530 127.0807 55.6097 30.5832 175.0173 136 C 5.2295 9.0793 121.9102 55.3256 44.1894 172.2679 137 L 5.2274 8.9657 121.7130 53.6112 44.3709 174.9036 138 I 5.1567 8.6627 127.4945 59.1189 39.1122 175.0619 139 S 5.3661 7.9655 119.9525 55.4092 66.4055 173.0834 140 G 3.8237 7.3726 107.6314 46.1595 0.0000 173.0847 141 W 4.9105 8.8123 117.3626 56.1739 29.4523 176.8603 142 G 4.1364 8.4572 109.4063 44.6674 0.0000 173.3866 143 N 4.1426 8.9305 118.6211 54.2272 39.0179 174.7296 144 T 5.0557 8.0640 113.0058 60.6833 69.8162 174.4593 145 K 4.5425 7.7305 122.0331 54.6384 34.3242 176.1008 146 S 4.1933 8.7747 118.6151 60.4235 62.5961 173.6086 147 S 4.4350 8.5724 114.5771 56.3669 62.3237 173.0753 148 G 3.8177 7.3952 112.2773 43.6790 0.0000 170.0337 149 T 4.4010 7.9559 117.3226 61.9021 71.3248 174.6852 150 S 4.2757 9.6991 123.7684 57.1121 64.9639 172.1211 151 Y 4.8909 8.3721 125.3052 56.4317 38.8103 174.1805 152 P 4.7464 0.0000 0.0000 62.2417 33.2956 175.8190 153 D 4.6000 8.7344 118.2968 56.7597 41.4143 177.4895 154 V 5.0011 7.4281 109.7638 59.0408 33.7326 175.7737 155 L 3.3213 8.3398 123.5379 54.9642 43.0025 176.0780 156 K 4.9070 8.0294 124.5853 55.0582 35.2464 174.5782 157 C 5.1587 8.0869 118.3302 55.4635 41.6075 173.2253 158 L 4.7890 8.2808 122.1164 54.2148 45.5228 174.2868 159 K 4.9462 9.0352 126.0395 56.1221 33.4636 176.1852 160 A 4.7016 9.1693 124.7483 50.3499 23.1912 173.7785 161 P 5.0498 0.0000 0.0000 61.7489 33.9964 175.1469 162 I 4.3306 8.8661 123.1793 61.4565 38.0542 175.9064 163 L 4.8161 8.6853 127.3882 53.2921 43.2655 176.9251 164 S 4.3369 8.4189 114.7865 58.1674 63.8534 174.9720 165 D 4.3664 8.6362 120.8286 57.0243 40.9330 178.6090 166 S 4.1238 8.0595 114.7495 61.8890 62.9153 176.7512 167 S 4.1668 7.9968 119.0088 60.7398 62.3887 175.8996 168 C 4.3686 8.4259 121.6952 59.7200 43.2001 175.8451 169 K 4.0473 8.2042 119.4660 59.1984 31.7852 179.0721 170 S 4.3015 8.1075 112.6567 60.1658 63.1919 175.5290 171 A 4.1624 7.5584 123.5402 53.2908 20.2665 177.0538 172 Y 4.7483 7.5603 114.1572 55.5794 38.6753 173.0193 173 P 4.6131 0.0000 0.0000 63.9034 32.3594 177.9242 174 G 4.0023 8.9560 109.8366 46.1065 0.0000 173.7935 175 Q 4.5016 8.2721 116.8753 55.5466 29.8037 175.2731 176 I 4.4353 7.8022 120.0146 59.9291 38.3662 175.6070 177 T 4.4920 8.2584 115.8479 60.0062 70.5053 175.3658 178 S 4.4859 8.5367 114.1517 59.8283 63.1523 174.0067 179 N 5.1190 8.1960 118.3058 53.5401 39.4670 174.0977 180 M 6.0315 8.3443 116.9787 53.2662 36.5682 174.2882 181 F 5.1288 8.2977 113.8098 56.0802 41.8377 173.5667 182 C 5.7381 9.3336 116.1733 54.7857 41.6134 172.7576 183 A 5.0186 9.0288 122.0766 50.5953 22.2498 174.6355 184 G 3.9612 7.1468 108.1726 44.7703 0.0000 173.1902 184A Y 4.6953 8.4257 120.6208 56.1254 41.3997 176.3722 185 L 4.2091 8.6130 124.2602 57.1901 42.2206 179.1167 186 E 3.9092 8.2266 117.6170 57.3946 29.6459 177.4097 187 G 3.7513 7.6117 105.0307 45.1493 0.0000 173.4534 188 G 3.9018 9.7988 106.3235 45.3913 0.0000 174.0013 188A K 5.1113 7.2839 118.4723 55.6383 35.6479 174.6733 189 D 4.6619 8.3422 123.6577 53.6025 44.8311 174.5987 190 S 4.8604 8.8256 116.0863 58.5901 64.8331 173.3780 191 C 4.7489 9.4582 118.6053 55.8280 44.6494 172.2151 192 Q 4.4324 8.6849 118.5208 58.0232 28.4294 177.8582 193 G 4.2831 9.3411 110.9469 45.5189 0.0000 173.6062 194 D 4.7791 8.3313 118.6697 55.0191 41.9164 176.9339 195 S 4.6424 7.8939 116.5180 59.9814 63.7138 174.2992 196 G 4.1177 8.6093 112.0942 46.4305 0.0000 173.9686 197 G 4.5221 8.0831 107.1429 44.7339 0.0000 171.1641 198 P 5.1892 0.0000 0.0000 62.0132 33.8193 175.5950 199 V 4.5512 8.5960 121.4348 61.4329 33.6143 173.9321 200 V 4.7129 9.1297 129.3167 61.4190 33.6531 173.8289 201 C 5.0773 9.1390 125.3233 55.2742 43.2653 174.4225 202 S 3.3506 9.6424 120.1464 59.3816 61.1567 172.7513 203 G 3.9019 8.0653 104.4961 46.1100 0.0000 171.7751 204 K 4.4063 7.8587 118.5639 54.5062 35.5205 175.1849 *209 L 4.2963 8.1903 120.5765 55.6326 41.8099 175.6989 210 Q 4.5037 8.8948 126.1210 56.6086 30.8439 175.8767 211 G 4.9555 8.0392 104.5588 45.6605 0.0000 171.3938 212 I 5.2106 8.2102 120.1042 58.7811 40.9203 175.0469 213 V 3.7925 9.2493 127.4318 64.3370 31.8365 174.3689 214 S 4.8121 8.5743 120.7323 58.7500 64.3338 174.0738 215 W 5.0226 7.8449 114.4065 55.8683 32.1367 172.1396 216 G 3.6929 8.1990 105.8718 46.3747 0.0000 172.5611 217 S 4.7269 8.5712 115.0392 56.7053 63.3562 172.9210 *219 G 4.4737 8.1257 116.8457 45.7284 0.0000 171.5568 220 C 4.7802 8.0675 115.6887 56.3785 42.4524 174.2717 221 A 3.8459 9.3650 125.0791 52.7282 16.7284 177.3948 221A Q 4.4256 7.5051 115.8452 56.0037 29.3893 176.2706 222 K 4.1616 8.3623 120.4542 57.8200 33.4964 176.9363 223 N 4.2611 8.9843 116.9004 53.9017 36.9680 175.4072 224 K 4.2140 7.4527 118.0470 53.4804 32.4186 174.0262 225 P 4.6273 0.0000 0.0000 61.6276 33.0090 176.9536 226 G 3.6440 8.0667 105.5684 45.9394 0.0000 172.9011 227 V 4.3099 7.6671 121.6686 60.6116 34.4429 174.0325 228 Y 4.8786 8.0932 124.0976 55.9141 42.0746 174.9756 229 T 4.2801 8.5088 120.7684 63.6447 69.7196 174.7836 230 K 5.1256 9.6383 129.2707 55.1367 29.3153 177.0525 231 V 3.7865 8.4610 124.3081 66.0569 31.7304 174.6663 232 C 4.3032 8.3937 111.6465 58.5177 41.3430 174.7549 233 N 4.2390 8.0632 116.8274 54.4126 38.6266 175.6027 234 Y 4.6263 8.0323 117.9782 57.5767 38.6282 177.2536 235 V 3.6614 7.8770 120.6861 66.4437 31.5529 177.8990 236 S 4.1541 8.0846 114.1041 61.2724 62.7232 176.2390 237 W 4.2211 8.3404 130.5938 60.5209 30.5279 177.8658 238 I 3.2018 8.0670 119.6341 64.3201 36.5642 178.6189 239 K 3.8808 7.9678 119.1827 59.4141 31.6739 179.5806 240 Q 3.8668 8.0445 118.3329 59.0948 28.4366 178.7358 241 T 3.5393 7.4356 115.9145 66.5161 68.7007 176.4993 242 I 2.9039 7.5523 121.6429 63.9771 36.8118 178.3814 243 A 4.1077 7.8063 120.1680 53.9241 18.1974 178.6071 244 S 4.6297 7.4298 110.7283 58.1816 63.6696 174.0043 245 N 4.6742 8.1002 125.4534 53.7377 38.8351 174.1535 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 4.25 1.80 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 1.24 0.51 0.89 0.00 0.00 17 V 9.03 4.14 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 1.01 0.00 0.00 0.98 0.00 0.00 18 G 9.14 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 0.00 0.00 0.00 19 G 7.72 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 7.64 5.11 0.00 2.98 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.59 4.23 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 1.22 0.00 0.00 22 C 8.75 4.31 0.00 2.84 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 23 G 8.42 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 24 A 8.54 4.30 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 8.98 4.31 0.00 2.94 2.94 0.00 0.00 6.90 7.05 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 26 T 7.67 3.89 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 1.22 0.00 0.00 27 V 6.80 4.12 1.73 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 0.19 0.00 0.00 0.74 0.00 0.00 28 P 0.00 4.46 0.00 2.39 2.31 0.00 3.64 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 2.17 1.99 0.00 29 Y 7.04 4.89 0.00 3.20 3.36 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 30 Q 7.50 4.48 0.00 1.77 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.72 0.00 0.00 0.00 0.00 0.00 1.83 2.43 0.00 31 V 9.04 4.87 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.92 0.00 0.00 32 S 8.60 4.98 0.00 3.12 3.35 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 33 L 8.59 4.36 0.00 0.61 0.63 0.75 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.79 5.57 0.00 2.44 2.41 0.00 0.00 6.78 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 *37 S 8.46 4.43 0.00 3.91 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 38 G 8.97 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 0.00 0.00 0.00 39 Y 6.46 4.44 0.00 3.13 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.79 4.54 0.00 2.80 3.13 0.00 5.86 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.78 4.97 0.00 2.92 2.75 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 42 C 6.85 4.71 0.00 2.44 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 43 G 8.56 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 44 G 7.81 4.65 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 45 S 8.81 5.47 0.00 3.80 3.79 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 46 L 9.04 4.84 0.00 1.88 1.81 1.01 0.84 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 47 I 8.43 4.39 1.89 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 1.63 0.88 0.94 0.00 0.00 48 N 7.58 4.61 0.00 2.98 2.99 0.00 0.00 5.99 7.26 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 49 S 8.54 4.35 0.00 4.05 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 0.00 50 Q 8.82 4.57 0.00 1.99 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 51 W 8.68 5.56 0.00 3.28 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 52 V 9.01 5.07 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 1.19 0.00 0.00 0.99 0.00 0.00 53 V 8.59 4.94 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 0.91 0.00 0.00 1.01 0.00 0.00 54 S 8.82 4.82 0.00 3.90 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 8.46 4.87 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 56 A 8.33 3.85 0.35 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 57 H 8.52 4.50 0.00 3.35 3.57 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 7.82 4.63 0.00 3.20 3.26 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 59 Y 7.64 4.09 0.00 3.02 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 60 K 6.99 3.62 0.00 1.51 1.36 0.00 1.03 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.81 0.94 7.81 61 S 8.00 4.30 0.00 3.95 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 62 G 8.31 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 0.00 0.00 0.00 63 I 7.54 4.53 1.87 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 1.54 0.82 0.88 0.00 0.00 64 Q 8.57 4.67 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 1.98 2.17 0.00 65 V 8.49 4.22 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 0.95 0.00 0.00 0.88 0.00 0.00 65A R 8.70 5.05 0.00 1.53 1.71 0.00 2.64 0.00 0.00 2.39 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.11 0.00 66 L 9.17 4.67 0.00 1.61 1.65 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 *69 G 8.32 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 70 E 8.27 4.49 0.00 2.13 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 2.38 2.10 0.00 71 D 8.22 4.82 0.00 2.77 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 7.80 5.11 0.00 2.88 2.81 0.00 0.00 7.21 7.12 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 73 I 8.39 3.90 1.42 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.55 -0.49 0.00 0.00 74 N 7.95 4.67 0.00 2.72 2.90 0.00 0.00 6.64 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 75 V 7.23 4.36 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 0.77 0.00 0.00 0.99 0.00 0.00 76 V 8.47 4.11 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 0.81 0.00 0.00 0.93 0.00 0.00 77 E 9.58 4.45 0.00 1.96 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 2.25 2.41 0.00 78 G 8.23 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 79 N 8.62 4.64 0.00 2.87 3.18 0.00 0.00 6.98 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 80 E 7.48 5.04 0.00 1.49 1.62 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 2.65 2.28 0.00 81 Q 8.52 4.30 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 82 F 8.95 5.57 0.00 2.92 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 83 I 8.71 4.60 1.88 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 1.24 0.84 0.94 0.00 0.00 84 S 8.70 4.67 0.00 3.74 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 85 A 8.28 4.79 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 86 S 9.94 4.67 0.00 3.81 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 87 K 7.60 4.67 0.00 1.84 1.89 0.00 1.55 0.00 0.00 1.89 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.42 7.81 88 S 8.83 5.28 0.00 4.13 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 89 I 9.27 4.44 2.03 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.95 1.05 0.00 0.00 90 V 8.21 4.00 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 0.58 0.00 0.00 0.63 0.00 0.00 91 H 8.57 4.03 0.00 2.85 3.08 0.00 5.66 0.00 0.00 0.00 0.00 6.71 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 2.09 2.16 0.00 3.32 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 2.15 2.25 0.00 93 S 8.00 4.71 0.00 3.87 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 94 Y 8.02 4.43 0.00 2.89 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 95 N 8.31 4.52 0.00 2.55 2.39 0.00 0.00 6.65 6.94 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 96 S 7.96 4.04 0.00 3.91 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 97 N 8.86 4.34 0.00 2.61 2.80 0.00 0.00 6.98 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 98 T 7.80 3.78 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 1.09 0.00 0.00 99 L 8.16 3.79 0.00 1.33 1.88 0.69 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.57 4.51 0.00 2.71 2.63 0.00 0.00 7.26 6.56 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 0.00 101 N 8.70 4.85 0.00 3.05 2.60 0.00 0.00 7.24 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 0.00 102 D 8.02 4.65 0.00 2.94 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 0.00 103 I 6.82 4.80 1.40 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.27 0.06 0.00 0.00 104 M 9.20 5.31 0.00 2.16 1.82 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.64 0.00 105 L 8.95 5.44 0.00 1.80 1.81 0.19 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.96 4.88 1.93 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 1.21 0.99 0.94 0.00 0.00 107 K 8.74 3.60 0.00 0.79 1.16 0.00 0.98 0.00 0.00 0.61 0.00 0.00 2.90 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.73 0.21 7.81 108 L 7.98 4.43 0.00 1.50 1.57 0.91 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 0.00 109 K 8.62 4.07 0.00 1.72 1.79 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.38 7.81 110 S 7.75 4.71 0.00 3.82 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 8.28 4.43 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 8.77 4.28 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 8.94 4.49 0.00 3.76 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 0.00 114 L 8.45 4.47 0.00 1.66 1.71 0.96 1.09 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 8.72 4.79 0.00 2.89 2.93 0.00 0.00 6.66 8.02 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 0.00 116 S 8.74 4.35 0.00 4.02 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 0.00 117 R 8.59 4.39 0.00 1.77 2.01 0.00 3.28 0.00 0.00 3.16 7.33 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.56 4.32 0.00 4.00 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 0.00 128 C 8.45 4.39 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 7.49 4.33 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.14 4.34 0.00 3.97 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 *132 A 8.17 4.28 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 9.20 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 0.00 0.00 0.00 134 T 7.74 3.97 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 135 Q 8.55 4.75 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 136 C 9.08 5.23 0.00 2.92 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 8.97 5.23 0.00 1.76 1.55 1.03 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.66 5.16 1.86 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.39 0.94 0.00 0.00 139 S 7.97 5.37 0.00 3.48 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.37 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 0.00 0.00 0.00 141 W 8.81 4.91 0.00 3.08 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 0.00 142 G 8.46 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 0.00 143 N 8.93 4.14 0.00 2.54 2.69 0.00 0.00 7.13 7.29 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 0.00 144 T 8.06 5.06 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 1.21 0.00 0.00 145 K 7.73 4.54 0.00 1.63 1.70 0.00 1.60 0.00 0.00 1.59 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 1.41 7.81 146 S 8.77 4.19 0.00 3.82 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 0.00 147 S 8.57 4.43 0.00 3.81 3.72 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 0.00 148 G 7.40 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 0.00 0.00 0.00 149 T 7.96 4.40 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 1.16 0.00 0.00 150 S 9.70 4.28 0.00 3.73 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 0.00 151 Y 8.37 4.89 0.00 3.04 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 0.00 152 P 0.00 4.75 0.00 2.48 2.11 0.00 4.24 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 153 D 8.73 4.60 0.00 2.80 2.82 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 0.00 154 V 7.43 5.00 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 0.98 0.00 0.00 0.96 0.00 0.00 155 L 8.34 3.32 0.00 1.41 1.25 -0.61 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.03 4.91 0.00 1.52 1.51 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.48 7.81 157 C 8.09 5.16 0.00 1.46 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 0.00 158 L 8.28 4.79 0.00 1.72 1.46 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 159 K 9.04 4.95 0.00 1.82 1.81 0.00 1.95 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.61 1.66 7.81 160 A 9.17 4.70 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 P 0.00 5.05 0.00 2.02 2.08 0.00 3.45 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 162 I 8.87 4.33 1.73 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.65 0.73 0.00 0.00 163 L 8.69 4.82 0.00 1.58 1.62 0.94 0.98 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 8.42 4.34 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 8.64 4.37 0.00 2.77 2.73 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 0.00 166 S 8.06 4.12 0.00 4.10 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 8.00 4.17 0.00 4.06 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 0.00 168 C 8.43 4.37 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 8.20 4.05 0.00 1.89 1.91 0.00 1.71 0.00 0.00 2.05 0.00 0.00 3.20 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.58 7.81 170 S 8.11 4.30 0.00 4.03 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 0.00 171 A 7.56 4.16 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 0.00 172 Y 7.56 4.75 0.00 3.05 3.09 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 0.00 173 P 0.00 4.61 0.00 2.08 2.03 0.00 3.78 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 2.05 2.10 0.00 174 G 8.96 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 0.00 175 Q 8.27 4.50 0.00 2.36 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 176 I 7.80 4.44 1.98 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 1.83 0.95 1.00 0.00 0.00 177 T 8.26 4.49 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 1.25 0.00 0.00 178 S 8.54 4.49 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 8.20 5.12 0.00 2.96 3.07 0.00 0.00 6.70 7.03 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 0.00 180 M 8.34 6.03 0.00 1.81 1.99 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.46 0.00 181 F 8.30 5.13 0.00 3.04 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 0.00 182 C 9.33 5.74 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 9.03 5.02 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 0.00 184 G 7.15 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 0.00 0.00 0.00 184A Y 8.43 4.70 0.00 3.06 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 0.00 185 L 8.61 4.21 0.00 1.74 1.73 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.23 3.91 0.00 1.98 2.04 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 2.36 2.42 0.00 187 G 7.61 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 0.00 188 G 9.80 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 188A K 7.28 5.11 0.00 1.30 1.54 0.00 1.31 0.00 0.00 0.87 0.00 0.00 2.67 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.33 1.04 7.81 189 D 8.34 4.66 0.00 2.74 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 8.83 4.86 0.00 4.03 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 0.00 191 C 9.46 4.75 0.00 2.92 3.15 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 0.00 192 Q 8.68 4.43 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.27 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 193 G 9.34 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 0.00 194 D 8.33 4.78 0.00 3.08 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 0.00 195 S 7.89 4.64 0.00 4.03 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 8.61 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 0.00 0.00 0.00 0.00 197 G 8.08 4.52 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 0.00 0.00 0.00 198 P 0.00 5.19 0.00 2.31 2.35 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 199 V 8.60 4.55 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 0.52 0.00 0.00 200 V 9.13 4.71 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 0.94 0.00 0.00 0.70 0.00 0.00 201 C 9.14 5.08 0.00 2.77 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 0.00 202 S 9.64 3.35 0.00 4.03 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 0.00 203 G 8.07 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 0.00 204 K 7.86 4.41 0.00 1.86 1.83 0.00 1.54 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.44 7.81 *209 L 8.19 4.30 0.00 1.67 1.70 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 8.89 4.50 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.42 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 211 G 8.04 4.96 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 0.00 0.00 0.00 212 I 8.21 5.21 1.93 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 1.30 0.78 0.95 0.00 0.00 213 V 9.25 3.79 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.18 0.00 0.00 214 S 8.57 4.81 0.00 3.92 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 0.00 215 W 7.84 5.02 0.00 3.30 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 G 8.20 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 217 S 8.57 4.73 0.00 4.26 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 *219 G 8.13 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 C 8.07 4.78 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 0.00 221 A 9.37 3.85 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.51 4.43 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.92 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 222 K 8.36 4.16 0.00 2.05 1.95 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.45 7.81 223 N 8.98 4.26 0.00 2.80 2.92 0.00 0.00 6.73 7.15 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 0.00 224 K 7.45 4.21 0.00 1.68 1.78 0.00 1.65 0.00 0.00 1.37 0.00 0.00 2.58 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.48 7.81 225 P 0.00 4.63 0.00 2.25 2.14 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 226 G 8.07 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 0.00 227 V 7.67 4.31 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 0.58 0.00 0.00 -0.52 0.00 0.00 228 Y 8.09 4.88 0.00 1.43 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 T 8.51 4.28 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 1.18 0.00 0.00 230 K 9.64 5.13 0.00 2.17 1.93 0.00 1.91 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.62 7.81 231 V 8.46 3.79 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1.02 0.00 0.00 232 C 8.39 4.30 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 8.06 4.24 0.00 2.43 2.37 0.00 0.00 6.91 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 0.00 234 Y 8.03 4.63 0.00 3.24 3.25 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 0.00 235 V 7.88 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 1.09 0.00 0.00 1.08 0.00 0.00 236 S 8.08 4.15 0.00 3.97 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 0.00 237 W 8.34 4.22 0.00 3.46 3.52 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 0.00 238 I 8.07 3.20 2.04 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 1.61 0.79 0.75 0.00 0.00 239 K 7.97 3.88 0.00 1.88 1.78 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.66 7.81 240 Q 8.04 3.87 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 241 T 7.44 3.54 3.44 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 0.72 0.00 0.00 242 I 7.55 2.90 1.42 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.17 0.26 0.00 0.00 243 A 7.81 4.11 1.29 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 0.00 0.00 244 S 7.43 4.63 0.00 3.95 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 0.00 245 N 8.10 4.67 0.00 3.12 3.04 0.00 0.00 6.75 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.