NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.3857 8.1927 115.2862 57.7679 63.8557 173.7544 0 L 3.6880 8.7210 129.7005 57.8826 41.8353 177.2392 1 A 4.0645 8.9179 121.5553 55.9042 18.4464 179.1594 2 T 3.7920 7.3623 112.0326 66.9617 68.5327 176.4406 3 C 4.2275 8.2352 118.2717 62.6488 28.1796 175.9307 4 I 3.8564 8.0321 121.0157 62.0244 37.2234 176.3573 5 G 4.0048 6.1892 112.8933 44.8833 0.0000 171.8278 6 E 4.5627 8.9283 119.9747 54.9062 30.6772 175.3348 7 K 2.9163 6.6958 116.8738 55.4972 35.1218 176.1673 8 I 3.7513 7.8983 120.2520 64.0173 37.9822 177.4011 9 E 4.1776 7.9464 115.9401 57.9201 29.7399 177.0148 10 D 4.3139 8.0813 119.6800 55.3898 40.9421 175.4457 11 F 5.3407 7.8261 117.7254 55.5593 43.0354 175.0707 12 K 4.3632 9.1391 122.9640 55.1192 32.8541 175.9246 13 V 4.0079 8.4108 126.4170 62.0409 31.6812 175.3728 14 G 4.2748 9.2419 120.1727 46.4767 0.0000 173.3279 15 N 4.9294 8.7942 121.4320 52.3876 40.2924 174.4234 16 L 3.9250 8.5804 124.0032 55.7004 42.1926 176.6662 17 L 4.4346 9.4579 125.5005 53.8787 42.9445 176.8809 18 G 4.2715 6.7285 111.2064 44.8425 0.0000 171.2696 19 K 4.8624 7.9633 119.1416 54.2775 35.9461 177.0123 20 G 4.3304 8.3172 112.2343 44.8627 0.0000 173.8936 21 S 4.3840 8.7738 115.4899 61.4316 63.2645 175.1290 22 F 5.2419 7.7853 112.2749 56.2618 39.7128 173.8505 23 A 5.0202 7.9733 119.5363 51.0437 22.7882 175.8314 24 G 4.1972 8.6868 107.5599 44.4786 0.0000 172.6228 25 V 4.8156 8.2533 124.0084 61.1120 33.8179 174.0120 26 Y 5.1509 9.0469 125.3680 55.8044 41.5709 175.1568 27 R 4.5552 8.7565 123.4626 56.7588 31.5374 175.1741 28 A 5.1280 8.9856 125.9641 51.0474 23.5832 174.2043 29 E 5.1415 9.0443 120.1732 54.2937 32.6612 175.0295 30 S 4.3132 9.2246 122.6055 58.2693 62.8926 174.6451 31 I 3.6518 8.1333 129.1127 64.9519 36.6933 177.7584 32 H 4.3466 8.0614 117.0247 57.7602 28.8472 175.8281 33 T 4.3016 7.5271 111.9088 60.8500 68.8935 175.1177 34 G 3.9785 8.4082 108.8588 45.1630 0.0000 173.4131 35 L 4.2141 7.4624 122.5443 54.6600 43.3588 175.5315 36 E 4.7310 8.8012 127.2440 56.5281 30.5654 175.8753 37 V 4.9098 9.3008 118.6745 59.8341 37.2578 173.7814 38 A 5.1340 8.8848 123.8366 50.4906 21.3128 175.7473 39 I 4.6520 8.9511 124.6353 59.6633 39.2028 174.9256 40 K 4.5930 8.8454 129.9898 55.9037 33.7304 175.3443 41 M 4.5621 9.4447 128.7784 53.7890 33.5630 175.1425 42 I 4.4436 8.5617 126.7924 60.3265 38.8837 175.1297 43 D 4.7864 9.1971 128.2215 53.7492 41.2376 177.0382 44 K 3.7067 8.8000 127.8017 59.0068 31.9032 179.2237 45 K 3.9725 8.0231 119.3393 59.6560 32.1710 178.4497 46 A 3.9518 9.2864 121.8468 55.2141 18.2135 179.0941 47 M 3.3638 8.1661 116.8702 59.0140 32.2967 178.1795 48 Y 4.1953 7.9178 117.0473 60.8658 37.8045 178.1079 49 K 3.8725 8.2386 119.7497 59.3918 32.3632 177.7395 50 A 4.3304 7.8726 117.5488 51.0470 18.9730 176.9874 51 G 3.8154 7.8104 105.4559 47.6849 0.0000 175.1270 52 M 4.3926 7.9904 116.6492 54.7699 32.2584 177.5941 53 V 3.5108 7.5491 121.4609 66.3657 31.7073 178.0979 54 Q 3.9914 8.0203 117.2334 58.6547 28.5614 178.5031 55 R 3.8897 7.8969 119.6136 59.3603 30.3048 178.6022 56 V 3.6169 7.8442 118.1026 66.0335 31.4897 178.0234 57 Q 3.9423 8.3414 118.0775 58.9939 28.5121 178.2522 58 N 4.2616 8.4588 118.3825 56.7116 38.9472 176.5010 59 E 3.9698 8.1992 120.7401 59.2339 29.7373 179.0319 60 V 3.3489 7.6665 118.2569 65.5036 31.3121 177.8489 61 K 3.8259 7.8509 118.4072 59.6106 32.3918 178.6151 62 I 3.7800 7.8764 119.9628 64.7835 37.0431 178.0369 63 H 3.9438 8.3117 119.3095 59.1024 29.4955 176.4930 64 C 4.4298 7.9490 114.2721 59.8408 29.7805 174.6122 65 Q 4.3959 7.9275 119.4857 55.0723 29.1099 174.9363 66 L 4.7505 7.1369 120.6790 52.6796 43.5227 176.1523 67 K 4.2986 8.7957 124.6031 55.7359 34.3191 174.8000 68 H 4.2229 8.0087 122.7360 54.4469 32.2918 172.8064 69 P 4.2633 0.0000 0.0000 65.0285 31.3853 176.9489 70 S 4.7380 8.0766 114.4010 58.5957 63.2815 172.8449 71 I 4.9052 7.6882 122.0960 58.8002 39.5733 175.2222 72 L 3.9188 8.8902 129.5558 56.1113 42.5398 176.4584 73 E 4.2363 8.9563 125.5073 55.8162 31.1490 175.5643 74 L 4.4103 8.1586 126.0062 53.7729 42.3023 175.4317 75 Y 4.6454 8.5831 125.8366 61.0970 38.5627 175.5571 76 N 4.8745 8.1986 115.1591 53.5359 42.5784 172.4340 77 Y 5.7104 8.2385 118.3964 56.5097 41.0910 173.4865 78 F 5.1339 8.0617 115.0504 56.5330 41.3361 171.9887 79 E 5.4851 9.1018 116.1245 55.1855 32.5080 174.7738 80 D 5.4547 8.8083 121.2741 51.9557 41.9274 176.4277 81 S 4.2863 8.8618 111.9388 60.9693 63.6423 174.1938 82 N 4.6151 8.0472 118.4023 53.8496 40.9401 174.4691 83 Y 5.7717 8.5087 114.8106 55.1216 42.8021 174.9341 84 V 4.6220 8.2043 115.0051 60.3571 34.1928 174.3499 85 Y 4.9628 8.9845 122.8357 56.1545 40.3731 174.5139 86 L 4.7949 8.7077 124.8485 52.9474 44.3507 175.7346 87 V 4.2434 8.8867 125.4287 61.8198 32.5146 174.5859 88 L 4.9169 8.8779 128.5001 52.1863 45.0784 175.8879 89 E 4.1658 7.8798 122.9193 56.9278 30.1180 176.1959 90 M 4.1919 8.7426 126.4858 55.1184 33.2546 175.3297 91 C 4.7274 8.2539 123.4843 57.8374 29.2285 173.9695 92 H 4.1364 8.8738 122.3771 58.9070 28.4591 176.6812 93 N 4.6787 8.1422 113.2385 52.7233 39.1407 177.2255 94 G 3.8176 8.0821 108.4158 45.5522 0.0000 172.4982 95 E 4.3659 8.4452 119.8050 56.3576 31.3691 178.3705 96 M 4.0042 8.8697 126.0631 58.5571 32.3529 177.9594 97 N 4.2685 8.1595 116.8220 56.8382 39.1148 176.5603 98 R 3.8484 8.0411 119.3717 59.5877 29.9858 177.6064 99 Y 3.9950 7.8945 118.0457 60.8104 39.0593 177.7500 100 L 4.0699 8.4407 121.3554 57.9184 42.0412 178.5634 101 K 3.8937 8.5463 118.9829 59.0762 32.0583 177.3694 102 N 4.7014 7.6955 113.9039 52.1611 38.9650 175.2601 103 R 4.1931 6.9602 120.3217 55.2373 31.2942 177.0070 104 V 3.7892 8.1033 119.4167 63.2395 32.0399 176.0799 105 K 4.5593 7.4027 116.9207 53.4525 35.5090 173.2162 106 P 4.4247 0.0000 0.0000 62.0784 32.7462 175.6849 107 F 4.9085 8.5019 118.5780 57.2606 39.7885 176.2321 108 S 4.5098 9.8884 116.6273 58.0586 64.3159 175.2546 109 E 4.2010 9.0016 119.7819 59.7325 28.9228 179.2848 110 N 4.3197 8.2455 116.0560 56.3838 38.6576 177.1778 111 E 3.6658 8.0462 119.2965 59.2823 29.5090 179.2759 112 A 4.2148 8.4072 121.0531 55.0137 18.3632 179.5166 113 R 4.0661 8.3822 117.3872 60.0133 29.7113 178.2328 114 H 4.0599 7.7627 117.5851 59.3412 29.7568 177.2784 115 F 4.4061 7.6257 119.5311 60.6891 38.6453 177.3779 116 M 4.0361 8.5315 118.2538 58.8999 32.0814 177.5417 117 H 4.0669 8.5392 118.7439 59.5056 29.9629 177.2060 118 Q 3.9312 7.7961 119.0472 58.9739 28.5464 178.6589 119 I 3.6992 7.9694 120.9613 64.4601 37.0969 178.4725 120 I 3.6904 7.8961 120.8232 64.7302 36.9042 178.6813 121 T 3.9697 7.9006 110.6593 64.5733 68.5132 176.7940 122 G 3.4882 8.1887 108.5287 48.0297 0.0000 175.7028 123 M 4.2026 8.4695 122.0172 57.8694 31.8859 178.9821 124 L 4.0604 8.2741 119.6214 57.6610 41.8077 178.5700 125 Y 4.0835 8.2608 119.8025 60.8774 38.7438 178.3535 126 L 3.9506 8.1307 119.6485 57.9517 41.6583 178.8967 127 H 4.0937 8.2966 118.3442 59.4988 29.6451 177.5358 128 S 4.0208 8.0067 114.0497 60.8973 62.8337 174.9230 129 H 4.5168 7.8128 118.3084 54.6099 28.8657 174.9903 130 G 3.7437 8.1620 109.4365 46.7902 0.0000 173.4786 131 I 4.6139 8.1332 121.4216 59.2091 38.8070 175.9933 132 L 4.4142 8.8582 129.2130 54.0412 42.5151 175.5025 133 H 4.8083 8.9162 127.3225 55.1794 31.0499 175.2397 134 R 3.8850 9.3023 126.4985 58.4681 29.2056 173.3183 135 D 4.3694 7.9175 121.0844 50.0162 40.7934 173.3204 136 L 4.2256 8.4356 124.9894 53.7746 42.5232 176.3750 137 T 4.7079 8.0123 111.7794 59.1309 71.9287 174.7632 138 L 3.9089 8.4572 121.2472 57.8900 41.5960 179.3365 139 S 4.4289 7.9659 110.2124 59.2926 63.5919 174.0934 140 N 4.6482 8.2597 118.8078 53.3080 38.9595 173.8922 141 L 5.1156 7.5775 119.2286 52.9097 44.4958 175.6495 142 L 5.1075 8.7143 122.7744 53.0822 45.1300 175.2733 143 L 5.0841 8.5207 120.7485 53.3051 45.0256 176.4404 144 T 4.6357 8.4198 118.0804 60.6190 68.9841 175.3277 145 R 3.8783 8.8622 124.2729 59.4682 29.9480 176.6209 146 N 4.7544 8.1393 112.3098 52.9162 38.5270 174.4536 147 M 3.2095 7.8661 116.3364 56.7316 30.1374 176.2244 148 N 5.2803 7.9152 114.5355 51.7847 41.3226 174.9986 149 I 4.5248 9.2655 124.0475 60.9701 38.6143 175.7215 150 K 4.7288 9.0164 124.4966 54.4585 35.6577 175.8590 151 I 4.1086 9.1639 127.3578 61.3872 38.0207 175.2967 152 A 4.6878 7.9121 127.4401 50.5384 22.8216 172.9873 153 D 3.9887 8.5712 122.5289 54.5761 39.0899 172.7998 154 F 4.5624 8.7806 123.2617 56.8149 39.4263 178.3678 155 G 3.7230 7.8188 111.5767 48.4649 0.0000 174.9817 156 L 4.3323 7.6378 116.0628 54.4078 42.2556 176.3686 157 A 4.5311 7.5634 121.1067 52.0387 19.5603 177.1036 158 T 4.6308 8.8451 115.3386 61.7814 72.3235 173.0501 159 Q 5.0086 8.7732 126.9984 54.4248 30.3939 174.5375 160 L 4.7614 8.4953 129.2381 54.3347 43.1153 177.8265 161 K 4.5530 7.7017 118.9450 53.6563 33.1660 176.6020 *189 L 4.4265 7.8646 126.3427 55.6100 44.3404 180.6492 190 E 4.0313 8.1860 117.5677 61.1439 29.6640 181.2020 191 S 4.5386 8.0077 114.8050 60.8149 63.5007 176.0726 192 D 4.4318 8.1110 122.2688 57.1264 40.6048 178.6066 193 V 3.5979 8.0179 118.7916 65.7586 31.5345 177.8451 194 W 4.3034 8.0551 128.1092 60.8137 30.5998 178.1129 195 S 4.1730 8.8069 115.5242 61.3619 62.1659 176.4412 196 L 4.0659 8.2295 123.3660 58.0108 41.7771 179.3064 197 G 3.4905 7.9875 105.5831 48.0261 0.0000 175.3571 198 C 3.8644 7.8475 119.9087 62.6150 28.1018 176.1631 199 M 4.1737 8.1850 118.2927 57.8483 30.8450 178.4730 200 F 4.3664 8.4580 122.2596 61.2590 39.4747 176.3958 201 Y 3.6074 8.1259 119.2528 60.9720 38.4584 178.0364 202 T 4.2102 8.0072 117.9045 66.2132 68.6096 176.4460 203 L 4.2360 8.2300 120.6996 57.6955 41.4292 179.2424 204 L 4.2307 7.4065 117.5555 56.0805 41.9890 178.1476 205 I 4.2280 7.9221 118.2014 60.3942 38.5508 176.9603 206 G 4.0159 9.3744 107.8251 45.0093 0.0000 173.1858 207 R 4.7394 7.3356 114.6044 53.4491 32.6477 172.9289 208 P 4.5341 0.0000 0.0000 61.3065 31.9744 175.1416 209 P 3.0243 0.0000 0.0000 64.4425 32.0849 177.1657 210 F 4.7316 7.3797 118.3105 57.2485 39.4508 177.5334 *217 N 4.5848 8.3561 114.5075 54.7323 38.7644 175.0289 218 T 4.0910 7.8793 115.6202 65.4302 69.5157 175.4932 219 L 4.6910 7.5533 120.6113 53.9208 42.6678 178.0320 220 N 4.1797 8.2999 114.3641 53.8698 37.7627 174.2779 221 K 4.2484 8.0075 118.0365 54.5128 33.9965 175.8241 222 V 4.0930 8.3847 127.7376 61.4250 31.0878 175.1161 223 V 4.2613 8.0940 126.5047 60.6890 33.8293 175.8130 224 L 3.7733 8.6690 117.8607 54.9969 38.6635 176.7393 225 A 4.5423 7.5312 121.2482 51.4703 16.9574 175.6260 226 D 4.9581 8.1263 119.8987 52.1017 45.0319 175.1387 227 Y 4.3568 7.9663 121.4375 55.7360 39.5282 173.8812 228 E 4.3391 8.3415 122.0256 55.0168 30.8520 175.3958 229 M 4.3311 8.3503 125.9072 54.4266 32.5988 173.8444 230 P 4.1937 0.0000 0.0000 62.2768 31.7309 177.4456 231 S 4.2379 8.3985 118.6324 60.2152 63.5302 175.1936 232 F 4.4466 7.4075 114.4979 58.0609 38.1897 175.7115 233 L 4.2543 6.4581 120.6178 54.1079 42.1447 177.5592 234 S 4.3795 9.5250 116.6719 58.4686 64.7990 175.5214 235 I 3.7090 8.3793 123.8269 64.7203 36.8741 178.5330 236 E 4.1113 8.3294 118.6295 59.3900 29.4258 179.0499 237 A 3.6742 8.2209 120.7173 55.1476 18.4766 179.8877 238 K 3.9116 8.2032 117.0871 59.5848 32.0940 179.1546 239 D 4.4235 8.5071 118.6997 57.2140 41.0830 178.0984 240 L 3.8295 7.9898 120.9061 57.9530 42.0766 178.8451 241 I 3.7053 7.8363 119.8463 64.7658 36.8533 177.7036 242 H 4.5471 8.2112 120.1398 59.0481 29.7297 177.1485 243 Q 4.0660 8.3721 119.0641 58.1330 28.3985 178.0575 244 L 4.2788 8.0799 119.3810 56.1244 41.8416 178.0307 245 L 4.5637 7.3145 116.7062 53.3517 42.4086 176.6615 246 R 4.0896 7.2538 121.1000 57.2029 30.7053 177.4776 247 R 4.2068 9.0625 121.0923 58.7968 29.7058 175.1781 248 N 5.0094 7.9028 116.1243 49.8685 39.3897 173.8611 249 P 4.2598 0.0000 0.0000 65.5488 31.7276 178.4150 250 A 4.0754 7.9523 120.0362 55.0931 18.4481 178.3377 251 D 4.5305 8.0517 114.6142 56.6431 41.1370 177.0943 252 R 4.4974 7.3943 117.8681 55.2508 30.9359 176.4694 253 L 4.1550 8.3140 125.0015 55.7960 42.6824 177.0322 254 S 4.3865 8.6743 120.1434 57.8241 64.3431 174.5884 255 L 3.9067 8.8360 123.5957 58.9597 41.4739 179.6734 256 S 4.1687 8.0508 113.0058 61.6561 63.0421 176.2506 257 S 4.3771 8.4265 117.5416 60.3463 62.7265 176.5643 258 V 3.5977 7.5180 121.5731 66.0569 31.0244 177.9659 259 L 4.0964 7.9300 116.4817 57.3582 41.6435 177.6871 260 D 4.5719 7.9258 117.0677 55.4514 41.5045 176.5319 261 H 4.2397 8.0923 120.5501 55.2149 30.0854 174.2034 262 P 4.2353 0.0000 0.0000 65.7300 31.1969 178.2042 263 F 4.1732 8.7216 120.2683 61.2586 39.4234 175.7780 264 M 4.1520 8.1938 119.1691 57.0189 32.2638 176.3918 265 S 4.0973 7.4579 117.4478 58.6614 63.1121 174.0270 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 -1 S 8.19 4.39 0.00 3.86 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 0 L 8.72 3.69 0.00 1.83 1.67 0.91 0.83 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 1 A 8.92 4.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.36 3.79 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 3 C 8.24 4.23 0.00 3.00 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 4 I 8.03 3.86 2.09 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.50 1.15 0.00 0.00 5 G 6.19 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 6 E 8.93 4.56 0.00 1.88 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 2.19 2.03 0.00 7 K 6.70 2.92 0.00 1.61 1.54 0.00 1.39 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.32 7.81 8 I 7.90 3.75 1.35 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.16 0.89 0.00 0.00 9 E 7.95 4.18 0.00 2.05 2.03 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 2.19 2.22 0.00 10 D 8.08 4.31 0.00 2.46 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 7.83 5.34 0.00 3.03 2.87 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 12 K 9.14 4.36 0.00 1.82 1.80 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.40 1.24 7.81 13 V 8.41 4.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.89 0.00 0.00 14 G 9.24 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 0.00 0.00 0.00 0.00 15 N 8.79 4.93 0.00 2.71 2.77 0.00 0.00 6.49 6.74 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 16 L 8.58 3.93 0.00 1.48 1.48 0.15 nan 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 17 L 9.46 4.43 0.00 1.53 1.63 0.89 0.83 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 18 G 6.73 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 0.00 0.00 0.00 0.00 19 K 7.96 4.86 0.00 1.65 1.63 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.16 1.30 7.81 20 G 8.32 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.77 4.38 0.00 4.11 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 22 F 7.79 5.24 0.00 3.09 3.04 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 23 A 7.97 5.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.69 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 25 V 8.25 4.82 1.94 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 0.88 0.00 0.00 0.82 0.00 0.00 26 Y 9.05 5.15 0.00 2.77 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 27 R 8.76 4.56 0.00 1.94 1.95 0.00 3.15 0.00 0.00 3.46 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 28 A 8.99 5.13 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 29 E 9.04 5.14 0.00 2.09 1.83 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 2.22 2.25 0.00 30 S 9.22 4.31 0.00 4.06 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 31 I 8.13 3.65 1.66 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.54 0.71 0.00 0.00 32 H 8.06 4.35 0.00 3.22 3.27 0.00 5.67 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 33 T 7.53 4.30 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 34 G 8.41 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 35 L 7.46 4.21 0.00 1.76 1.52 0.90 0.58 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 36 E 8.80 4.73 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 37 V 9.30 4.91 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.07 0.00 0.00 38 A 8.88 5.13 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 39 I 8.95 4.65 1.82 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.43 0.86 0.00 0.00 40 K 8.85 4.59 0.00 1.76 1.60 0.00 1.50 0.00 0.00 1.49 0.00 0.00 2.63 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.28 1.30 7.81 41 M 9.44 4.56 0.00 1.24 1.87 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 42 I 8.56 4.44 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.65 0.99 0.00 0.00 43 D 9.20 4.79 0.00 2.91 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 44 K 8.80 3.71 0.00 1.84 1.72 0.00 1.76 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.33 1.45 7.81 45 K 8.02 3.97 0.00 1.81 2.01 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.53 7.81 46 A 9.29 3.95 1.44 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 47 M 8.17 3.36 0.00 1.89 2.07 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.23 0.00 48 Y 7.92 4.20 0.00 3.14 2.83 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 49 K 8.24 3.87 0.00 1.87 1.92 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.47 7.81 50 A 7.87 4.33 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 51 G 7.81 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 52 M 7.99 4.39 0.00 1.64 1.52 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.38 0.00 53 V 7.55 3.51 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 1.22 0.00 0.00 1.05 0.00 0.00 54 Q 8.02 3.99 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 55 R 7.90 3.89 0.00 1.90 2.16 0.00 3.35 0.00 0.00 3.61 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 56 V 7.84 3.62 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 0.97 0.00 0.00 1.12 0.00 0.00 57 Q 8.34 3.94 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 58 N 8.46 4.26 0.00 2.97 2.97 0.00 0.00 6.90 7.74 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 59 E 8.20 3.97 0.00 2.27 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 0.00 2.30 2.34 0.00 60 V 7.67 3.35 1.84 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 -0.06 0.00 0.00 0.64 0.00 0.00 61 K 7.85 3.83 0.00 2.15 1.95 0.00 1.97 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.45 1.36 7.81 62 I 7.88 3.78 1.96 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 1.38 0.82 0.72 0.00 0.00 63 H 8.31 3.94 0.00 3.55 3.23 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 C 7.95 4.43 0.00 3.36 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 65 Q 7.93 4.40 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 66 L 7.14 4.75 0.00 1.49 1.56 -0.03 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.80 4.30 0.00 1.66 1.68 0.00 1.87 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.37 7.81 68 H 8.01 4.22 0.00 1.62 2.42 0.00 5.73 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.26 0.00 2.15 2.10 0.00 3.09 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.85 0.00 70 S 8.08 4.74 0.00 3.99 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 71 I 7.69 4.91 1.90 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 1.23 0.61 1.08 0.00 0.00 72 L 8.89 3.92 0.00 1.66 1.76 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.96 4.24 0.00 1.99 1.53 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 0.00 2.32 2.26 0.00 74 L 8.16 4.41 0.00 1.11 1.41 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 8.58 4.65 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 76 N 8.20 4.87 0.00 2.91 2.89 0.00 0.00 6.71 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 77 Y 8.24 5.71 0.00 3.02 2.83 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 78 F 8.06 5.13 0.00 3.13 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 79 E 9.10 5.49 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 80 D 8.81 5.45 0.00 3.09 3.13 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 81 S 8.86 4.29 0.00 4.03 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 82 N 8.05 4.62 0.00 2.42 1.94 0.00 0.00 6.57 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 83 Y 8.51 5.77 0.00 1.91 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 0.00 0.00 0.00 0.00 84 V 8.20 4.62 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.90 0.00 0.00 85 Y 8.98 4.96 0.00 1.64 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 0.00 0.00 0.00 86 L 8.71 4.79 0.00 1.49 1.51 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.89 4.24 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 1.22 0.00 0.00 0.88 0.00 0.00 88 L 8.88 4.92 0.00 1.62 1.40 0.86 0.55 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 89 E 7.88 4.17 0.00 1.68 1.72 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 2.34 2.37 0.00 90 M 8.74 4.19 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 91 C 8.25 4.73 0.00 2.95 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 92 H 8.87 4.14 0.00 3.13 3.43 0.00 5.89 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 N 8.14 4.68 0.00 2.77 2.77 0.00 0.00 7.02 7.09 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 94 G 8.08 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 95 E 8.45 4.37 0.00 2.03 1.83 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 2.36 2.44 0.00 96 M 8.87 4.00 0.00 2.27 1.86 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.39 0.00 97 N 8.16 4.27 0.00 2.95 2.99 0.00 0.00 6.82 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 98 R 8.04 3.85 0.00 2.13 2.10 0.00 3.16 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 99 Y 7.89 3.99 0.00 3.16 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.44 4.07 0.00 1.97 1.95 0.73 0.89 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 0.00 101 K 8.55 3.89 0.00 2.25 1.90 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.46 1.37 7.81 102 N 7.70 4.70 0.00 2.59 2.70 0.00 0.00 7.04 7.75 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 0.00 103 R 6.96 4.19 0.00 1.79 1.85 0.00 3.07 0.00 0.00 2.77 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.28 0.00 104 V 8.10 3.79 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.88 0.00 0.00 105 K 7.40 4.56 0.00 1.76 1.72 0.00 1.54 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.23 1.30 7.81 106 P 0.00 4.42 0.00 2.22 2.16 0.00 3.69 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 1.96 1.99 0.00 107 F 8.50 4.91 0.00 3.31 3.13 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 0.00 108 S 9.89 4.51 0.00 3.92 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 0.00 109 E 9.00 4.20 0.00 2.19 2.40 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 2.54 2.53 0.00 110 N 8.25 4.32 0.00 2.73 2.83 0.00 0.00 7.15 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 0.00 111 E 8.05 3.67 0.00 2.26 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 0.00 2.27 2.34 0.00 112 A 8.41 4.21 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 0.00 0.00 0.00 0.00 0.00 113 R 8.38 4.07 0.00 1.82 2.08 0.00 2.86 0.00 0.00 2.76 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 114 H 7.76 4.06 0.00 3.09 3.09 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 7.63 4.41 0.00 3.24 2.91 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 0.00 116 M 8.53 4.04 0.00 2.25 2.40 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.30 0.00 117 H 8.54 4.07 0.00 3.24 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Q 7.80 3.93 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 119 I 7.97 3.70 1.88 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 1.51 0.79 0.91 0.00 0.00 120 I 7.90 3.69 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.61 0.90 0.00 0.00 121 T 7.90 3.97 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 1.10 0.00 0.00 122 G 8.19 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.47 4.20 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.60 0.00 124 L 8.27 4.06 0.00 1.87 1.76 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.26 4.08 0.00 2.95 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 0.00 126 L 8.13 3.95 0.00 2.04 1.92 1.08 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.30 4.09 0.00 3.20 3.46 0.00 5.59 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 S 8.01 4.02 0.00 3.99 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 0.00 129 H 7.81 4.52 0.00 2.83 3.14 0.00 5.77 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.16 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 0.00 131 I 8.13 4.61 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.86 0.99 0.00 0.00 132 L 8.86 4.41 0.00 1.61 1.65 0.93 1.13 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 0.00 133 H 8.92 4.81 0.00 3.27 3.21 0.00 5.75 0.00 0.00 0.00 0.00 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 R 9.30 3.89 0.00 1.87 1.77 0.00 3.35 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 135 D 7.92 4.37 0.00 2.71 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.44 4.23 0.00 1.61 1.57 0.87 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 137 T 8.01 4.71 4.25 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 1.23 0.00 0.00 138 L 8.46 3.91 0.00 1.78 1.78 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 139 S 7.97 4.43 0.00 4.15 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 0.00 140 N 8.26 4.65 0.00 2.84 2.73 0.00 0.00 6.77 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.58 5.12 0.00 1.47 1.44 0.83 0.79 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 0.00 142 L 8.71 5.11 0.00 1.52 1.50 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.52 5.08 0.00 1.54 1.30 0.15 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 144 T 8.42 4.64 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 145 R 8.86 3.88 0.00 1.88 1.93 0.00 3.39 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.24 0.00 146 N 8.14 4.75 0.00 2.78 2.83 0.00 0.00 6.92 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 0.00 147 M 7.87 3.21 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.70 0.00 148 N 7.92 5.28 0.00 2.66 2.73 0.00 0.00 7.01 7.48 0.00 0.00 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 I 9.27 4.52 2.05 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.23 0.88 0.00 0.00 150 K 9.02 4.73 0.00 1.55 1.75 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.52 7.81 151 I 9.16 4.11 2.01 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 1.11 0.62 0.84 0.00 0.00 152 A 7.91 4.69 1.13 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 0.00 153 D 8.57 3.99 0.00 2.67 2.53 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 0.00 0.00 0.00 0.00 154 F 8.78 4.56 0.00 3.34 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 0.00 155 G 7.82 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 0.00 0.00 0.00 156 L 7.64 4.33 0.00 1.58 1.69 0.91 0.78 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 0.00 157 A 7.56 4.53 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 T 8.85 4.63 4.25 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 1.21 0.00 0.00 159 Q 8.77 5.01 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 160 L 8.50 4.76 0.00 1.66 1.62 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 161 K 7.70 4.55 0.00 1.74 1.60 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.03 7.81 *189 L 7.86 4.43 0.00 1.70 1.75 0.69 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 190 E 8.19 4.03 0.00 1.97 1.96 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 2.31 1.94 0.00 191 S 8.01 4.54 0.00 4.06 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 0.00 192 D 8.11 4.43 0.00 2.74 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 0.00 193 V 8.02 3.60 2.35 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 1.15 0.00 0.00 1.04 0.00 0.00 194 W 8.06 4.30 0.00 3.45 3.20 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 203 L 8.23 4.24 0.00 2.00 2.02 1.13 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 204 L 7.41 4.23 0.00 1.28 1.46 -0.13 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 205 I 7.92 4.23 1.66 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 -0.36 0.87 0.00 0.00 206 G 9.37 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 0.00 207 R 7.34 4.74 0.00 1.99 2.01 0.00 3.03 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 208 P 0.00 4.53 0.00 2.23 2.05 0.00 3.77 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 209 P 0.00 3.02 0.00 0.60 0.49 0.00 3.57 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.35 0.00 210 F 7.38 4.73 0.00 3.08 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 *217 N 8.36 4.58 0.00 2.77 2.90 0.00 0.00 6.88 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 0.00 218 T 7.88 4.09 4.25 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 1.22 0.00 0.00 219 L 7.55 4.69 0.00 1.66 1.60 0.93 0.74 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 0.00 220 N 8.30 4.18 0.00 2.86 2.92 0.00 0.00 6.53 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 0.00 221 K 8.01 4.25 0.00 1.66 1.66 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.33 7.81 222 V 8.38 4.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.97 0.00 0.00 223 V 8.09 4.26 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 0.82 0.00 0.00 0.94 0.00 0.00 224 L 8.67 3.77 0.00 1.78 1.73 0.93 0.99 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 0.00 225 A 7.53 4.54 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 0.00 226 D 8.13 4.96 0.00 2.69 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 0.00 0.00 0.00 0.00 227 Y 7.97 4.36 0.00 2.59 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 0.00 0.00 0.00 228 E 8.34 4.34 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 229 M 8.35 4.33 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.63 0.00 230 P 0.00 4.19 0.00 1.27 1.34 0.00 3.45 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 231 S 8.40 4.24 0.00 3.97 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 0.00 232 F 7.41 4.45 0.00 3.15 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 L 6.46 4.25 0.00 1.53 1.47 0.68 0.38 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 0.00 234 S 9.53 4.38 0.00 4.20 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 0.00 235 I 8.38 3.71 1.91 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 1.67 0.95 0.94 0.00 0.00 236 E 8.33 4.11 0.00 2.35 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 2.50 2.54 0.00 237 A 8.22 3.67 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 0.00 238 K 8.20 3.91 0.00 1.95 1.87 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.61 7.81 239 D 8.51 4.42 0.00 2.84 2.83 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 0.00 240 L 7.99 3.83 0.00 1.61 1.73 0.70 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 241 I 7.84 3.71 2.06 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.82 0.80 0.00 0.00 242 H 8.21 4.55 0.00 3.42 3.65 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 243 Q 8.37 4.07 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.56 0.00 0.00 0.00 0.00 0.00 2.46 2.71 0.00 244 L 8.08 4.28 0.00 1.55 1.81 0.83 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 245 L 7.31 4.56 0.00 1.56 1.51 -0.13 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 246 R 7.25 4.09 0.00 1.86 1.95 0.00 3.38 0.00 0.00 3.10 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.91 0.00 247 R 9.06 4.21 0.00 1.82 1.87 0.00 3.23 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.21 0.00 248 N 7.90 5.01 0.00 2.83 2.94 0.00 0.00 6.18 7.76 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 0.00 249 P 0.00 4.26 0.00 2.18 2.16 0.00 3.56 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 250 A 7.95 4.08 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 0.00 251 D 8.05 4.53 0.00 3.00 2.78 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 0.00 252 R 7.39 4.50 0.00 1.96 1.91 0.00 3.31 0.00 0.00 3.57 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 253 L 8.31 4.16 0.00 1.81 1.61 0.97 1.04 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 0.00 254 S 8.67 4.39 0.00 3.94 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 0.00 255 L 8.84 3.91 0.00 1.71 1.71 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 256 S 8.05 4.17 0.00 3.88 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 0.00 257 S 8.43 4.38 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 0.00 258 V 7.52 3.60 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 0.95 0.00 0.00 1.01 0.00 0.00 259 L 7.93 4.10 0.00 1.70 1.76 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 260 D 7.93 4.57 0.00 2.86 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 0.00 261 H 8.09 4.24 0.00 3.20 3.29 0.00 5.60 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 262 P 0.00 4.24 0.00 2.27 2.30 0.00 3.26 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 263 F 8.72 4.17 0.00 3.21 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 0.00 264 M 8.19 4.15 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.72 0.00 265 S 7.46 4.10 0.00 3.92 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 * Residues marked with a * may have inaccurate shift predictions.