NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4250 8.3349 115.2903 57.7456 62.3853 173.0194 3 K 3.9940 8.1875 126.0428 53.2723 32.6386 175.0303 4 P 4.5515 0.0000 0.0000 61.7215 33.2679 175.3577 5 Q 4.0062 8.4845 120.0380 55.6834 29.3286 174.0968 6 P 4.9220 0.0000 0.0000 62.8543 33.5100 174.9044 7 I 5.1442 8.6650 119.7971 59.4289 41.4544 174.5790 8 A 5.0217 8.8263 127.3835 50.1980 21.4964 174.6098 9 A 5.1550 9.1666 124.3884 50.5020 22.0680 174.7422 10 A 4.7552 8.9720 124.6092 50.1337 20.9500 175.1175 11 N 4.9571 9.3612 122.5620 51.9290 40.5330 173.8110 12 W 5.2998 8.7272 126.9072 55.7071 30.6175 176.6938 13 K 4.6059 8.8174 117.7678 57.1293 36.4243 175.5987 14 C 3.9745 8.0054 114.6071 58.6817 29.9667 172.7634 15 N 4.7731 8.6287 113.7029 55.0986 40.3813 177.3036 16 G 3.9629 8.2402 102.4274 46.7413 0.0000 174.7091 17 S 4.7406 8.2558 118.5739 58.1728 63.5351 172.2157 18 Q 3.6603 8.4688 119.7086 57.8730 28.5672 176.0842 19 Q 3.8819 7.7116 117.1799 59.0450 29.4235 178.4889 20 S 3.9840 7.7131 114.7740 61.3769 63.0826 176.0251 21 L 3.4133 7.7150 122.7788 57.2890 41.3628 179.4840 22 S 4.0484 8.3796 114.2140 61.4923 62.7060 176.4642 23 E 3.8165 7.7315 121.9522 59.1231 29.2378 179.1889 24 L 3.5197 7.3722 118.5259 57.6049 41.4720 179.5980 25 I 3.5910 7.6049 119.6384 64.6010 37.1244 178.2053 26 D 4.2918 7.7446 119.0786 57.1247 40.3832 178.4912 27 L 3.9209 7.4639 119.8294 58.3251 42.3679 178.8185 28 F 4.6883 8.3090 117.9567 60.8453 38.5882 177.4284 29 N 4.4600 8.3892 115.5840 55.7139 38.3728 176.5484 30 S 4.6050 7.7415 112.8482 57.6863 63.9103 174.0871 31 T 4.2791 7.4104 120.0594 63.2089 69.1049 174.5336 32 S 4.4429 8.6305 122.3725 57.7335 63.0676 173.9813 33 I 4.3775 8.2811 127.4715 59.4396 37.9098 175.1742 34 N 4.4987 8.7637 124.3231 55.0467 37.8782 175.5737 35 H 4.5505 7.8572 113.1387 53.9668 30.0353 173.9134 36 D 4.5417 8.4379 119.7561 53.6756 40.7694 175.6058 37 V 4.3965 7.7895 125.5052 60.4330 34.5743 173.4265 38 Q 4.1943 8.7940 126.2521 55.2383 30.1776 174.0208 39 C 4.6726 8.3271 124.9797 58.3291 30.4298 173.1513 40 V 4.5659 8.5392 121.7773 61.0226 34.9912 174.1631 41 V 4.1909 8.5784 126.5185 61.0022 34.4313 173.9790 42 A 5.5237 8.7631 131.0308 48.7525 19.6634 173.8376 43 P 5.0446 0.0000 0.0000 62.8987 33.3806 176.9636 44 S 4.1993 8.9096 117.9180 59.2822 62.9587 175.0593 45 F 3.8150 9.3297 125.6537 61.1935 39.0405 177.4295 46 V 3.9261 7.8974 115.2137 62.8803 31.2196 176.2912 47 H 4.9437 8.4815 117.1174 55.2294 29.6179 175.2148 48 L 3.7414 7.3665 122.0114 57.8286 41.4224 179.1247 49 A 4.0667 7.7209 119.5894 55.4539 18.4464 178.7651 50 M 4.7323 8.0240 117.3641 58.7317 32.2014 178.4285 51 T 3.9173 8.2413 115.8136 66.5993 68.4445 176.6133 52 K 3.9570 8.0994 120.7044 59.2611 32.3719 178.4539 53 E 4.1027 8.1811 118.1005 59.7283 29.5377 179.4960 54 R 4.0284 8.2670 119.5928 56.6655 30.2478 176.9092 55 L 4.4206 7.6436 121.5349 54.2785 42.2912 176.1389 56 S 4.6397 8.8889 119.3160 57.5891 64.7051 173.9206 57 H 4.0276 8.4501 122.0423 56.0446 29.7575 173.8770 58 P 4.3716 0.0000 0.0000 65.3993 31.3554 177.0352 59 K 4.3715 8.5730 116.8663 56.3994 32.4156 175.4274 60 F 5.1856 8.1753 117.9791 55.8030 41.5215 175.2808 61 V 4.5750 8.2542 113.9080 59.8114 36.2470 174.2968 62 I 4.8452 8.2931 122.2871 59.7840 39.1089 175.0729 63 A 5.2116 8.8968 127.0200 50.2323 22.5002 175.1842 64 A 4.9180 8.7886 121.5225 50.6729 22.0297 175.9237 65 Q 4.8304 8.4734 117.4938 54.9402 31.2196 176.1949 66 N 3.9833 8.7607 119.6333 54.2144 36.4683 174.2597 67 A 4.0696 7.6320 120.4197 52.2736 19.5141 177.9734 68 G 4.0748 8.5094 109.7675 44.9303 0.0000 172.3215 69 N 4.8478 7.7755 117.1119 51.5612 42.1604 174.7339 70 A 3.9932 8.9517 127.8196 55.7290 18.7329 179.6147 71 D 4.4552 8.2001 115.1336 57.2016 41.5269 178.9525 72 G 3.5200 8.3669 108.7237 48.4284 0.0000 175.3560 *80 L 4.2252 7.9210 118.9521 54.4663 43.5846 178.9819 81 A 4.1519 7.9244 119.1022 55.1323 18.4906 179.5190 82 S 4.2921 8.7135 113.3666 61.4866 63.0285 176.7561 83 L 4.4341 8.6546 123.0022 57.8274 41.0628 179.5070 84 K 4.1288 8.5584 117.5474 58.7543 31.6572 178.8552 85 D 4.3792 7.8567 119.1258 56.8537 40.9074 178.0095 86 F 4.3834 8.2069 116.8553 58.1104 39.0101 176.3817 87 G 3.8785 7.6249 105.8921 45.7710 0.0000 173.2169 88 V 4.2221 7.7904 118.7706 61.7799 32.5722 175.0835 89 N 4.9023 8.9653 121.9982 52.0917 39.2404 173.2620 90 W 5.5053 8.5121 118.2900 55.5445 33.6469 173.9635 91 I 5.1846 8.7773 121.8304 59.6007 41.5807 173.5684 92 V 4.6949 8.9582 128.8783 61.1914 33.9959 174.2172 93 L 4.6520 8.8612 128.6032 52.6949 43.3226 176.8897 94 G 4.3717 8.2604 116.9515 44.8694 0.0000 172.5907 95 H 4.4139 8.3547 124.6438 58.9457 30.4323 176.1237 96 S 3.9098 7.9049 116.1640 61.6497 62.5123 176.6225 97 E 3.0346 7.7293 121.3091 58.9423 29.3865 179.3521 98 R 4.0365 7.5417 117.7727 58.9251 29.9099 179.2591 99 R 4.0237 8.2265 120.0677 58.7502 29.8991 178.4190 100 A 3.8121 6.9990 118.7409 55.4263 18.4635 178.9490 101 Y 4.2196 7.4076 113.9452 60.4385 38.0857 176.3928 102 Y 4.7889 7.5451 113.6706 57.2017 39.5708 176.6693 103 G 3.8549 8.0399 107.7672 45.3998 0.0000 173.2002 104 E 3.9060 8.2160 120.7563 56.6110 30.0867 176.8409 105 T 4.3407 8.3802 116.5394 61.5568 71.2016 175.2497 106 N 4.2957 8.6603 119.4680 56.3813 38.5826 177.6045 107 E 3.9975 8.0574 119.8726 59.1327 29.5595 179.2005 108 I 3.7250 7.8167 120.2157 64.3131 37.1784 178.7708 109 V 3.5126 7.5682 119.3401 64.7145 31.1204 178.1088 110 A 3.8704 8.0192 121.3620 54.9781 18.1514 179.3215 111 D 4.2624 8.1259 117.2197 57.5803 40.9065 179.2494 112 K 3.9022 8.2610 119.1887 59.2282 31.8915 179.6950 113 V 3.4196 8.0372 118.6812 65.8966 31.5012 177.9123 114 A 3.8833 7.8070 120.1324 55.1512 17.9685 179.5227 115 A 3.9213 7.9766 118.1108 55.0234 18.8336 179.4394 116 A 4.0425 8.0519 119.3575 55.3704 18.4642 179.8560 117 V 3.6662 7.9297 116.6653 66.3629 31.3164 178.1420 118 A 4.0293 7.8943 119.0758 54.6205 18.2776 178.5635 119 S 4.4695 7.7494 109.3082 58.6007 62.7505 174.6411 120 G 3.9144 8.1286 108.8069 45.6093 0.0000 173.9487 121 F 4.5750 7.7907 117.5049 57.3469 40.4048 174.6225 122 M 4.2518 8.3954 120.8659 53.9039 33.6193 175.4026 123 V 4.6761 8.3188 123.2650 61.0813 34.7579 174.1433 124 I 4.7208 8.8322 129.1053 59.9542 38.8113 174.5855 125 A 4.6837 9.0832 131.0024 50.4854 20.7672 175.6709 126 C 4.8787 8.8115 122.0862 59.4351 29.2264 173.2340 127 I 4.8985 9.1004 118.2423 58.5715 40.5804 175.0071 128 G 4.4593 7.9280 112.1416 46.5627 0.0000 171.5505 129 E 5.0508 8.1188 118.3171 54.6422 32.8926 175.5346 130 T 4.6629 8.6025 110.7804 60.3962 70.5402 175.7274 131 L 3.9382 8.7398 123.1804 58.4179 41.9610 178.6808 132 Q 3.9482 8.1254 118.9186 59.3287 29.0239 178.0598 133 E 4.0670 8.1323 120.6238 58.7234 29.4874 179.2512 134 R 4.1720 8.2605 120.2736 59.1798 30.0067 178.5219 135 E 3.9846 8.1364 117.2543 59.0832 29.3972 178.7320 136 S 4.4429 8.3381 112.5602 58.3248 63.0627 174.9726 137 G 3.7593 7.9177 110.4585 47.1430 0.0000 174.3770 138 R 4.6290 8.3582 116.3941 55.8511 30.9443 178.1692 139 T 3.9448 8.2713 117.6290 66.8339 68.3130 176.1062 140 A 3.9346 7.9173 121.9162 55.1909 18.6567 179.5689 141 V 3.5199 7.7745 116.3306 66.1465 31.7018 178.3110 142 V 3.5517 7.8412 117.8624 66.0240 31.4451 178.2503 143 V 3.5772 8.2389 118.4574 65.8755 31.3004 177.7392 144 L 3.6364 8.0185 120.1827 58.2424 41.8704 179.0484 145 T 3.7616 7.7365 115.5286 66.5834 68.3550 176.5925 146 Q 3.8743 7.8205 119.5012 59.0425 28.7175 178.7769 147 I 3.5305 7.4688 119.3332 63.7739 37.9431 177.6733 148 A 3.5444 7.4993 121.5124 54.8558 17.9593 179.4017 149 A 3.9181 7.5589 117.9307 55.4112 18.6663 179.4241 150 I 3.6971 7.6196 118.0404 64.6536 37.3112 178.3886 151 A 4.5499 8.4773 121.7609 55.2847 18.0133 179.4041 152 K 3.9580 8.0615 117.1773 59.4741 32.3950 177.7978 153 K 4.3357 7.6881 115.2025 56.5654 32.5561 176.4376 154 L 4.7975 7.4014 118.6853 52.5816 44.1220 176.4979 155 K 4.4066 9.0155 121.6219 55.6314 33.1231 178.1742 156 K 4.0037 8.9319 122.2086 60.0049 31.7350 179.0480 157 A 4.1254 8.1160 120.1040 55.0175 18.2172 179.0567 158 D 4.4580 8.5700 117.8964 56.9660 40.8908 178.6405 159 W 3.9260 8.3679 119.3457 59.0414 28.7594 177.9516 160 A 4.1846 7.7108 118.8578 54.1561 17.9558 177.8831 161 K 4.3419 8.1325 115.3815 56.2215 33.5246 176.4294 162 V 4.7444 7.4850 113.2085 59.4981 34.7888 175.4471 163 V 4.4965 8.5285 121.9759 61.5237 35.2466 173.8302 164 I 4.8521 8.7167 128.2268 59.7651 39.5027 174.3359 165 A 5.0869 8.7990 128.7368 50.2502 21.4065 174.9342 166 Y 4.6600 9.2923 125.7244 57.4615 39.6919 173.8047 167 E 4.8961 9.1592 129.1084 51.3723 29.8472 172.4102 168 P 3.8844 0.0000 0.0000 61.8683 32.1317 178.5333 169 V 3.4105 8.7896 122.4959 65.5837 31.5394 177.8602 170 W 4.3885 7.7673 114.6756 58.2179 28.4420 176.2280 171 A 4.8277 7.2846 121.0866 51.6828 17.5664 176.6201 172 I 4.0013 7.5078 118.1007 60.7348 36.5019 176.0657 173 G 4.0377 8.7636 113.3528 46.4433 0.0000 173.0366 174 T 4.3205 7.4789 108.2060 60.4733 69.7455 175.7971 175 G 3.8456 8.0721 109.7125 45.5425 0.0000 173.8393 176 K 4.3859 7.6766 121.7369 54.5517 31.3889 175.4385 177 V 4.2807 8.1116 124.9409 61.7682 32.4021 175.7763 178 A 4.4876 8.4790 129.3647 52.2072 18.9096 178.5780 179 T 4.1388 8.4499 112.6083 61.0773 70.8951 173.9214 180 P 4.1611 0.0000 0.0000 65.6795 31.2059 179.1593 181 Q 3.9638 7.9858 116.5257 59.0058 28.7179 178.3537 182 Q 4.0580 8.1811 118.7350 58.9935 28.7596 178.9306 183 A 4.1790 8.2008 121.6929 55.3395 18.3883 179.3170 184 Q 3.8406 8.2402 118.2595 59.2893 29.1164 178.1302 185 E 3.9057 8.3991 120.3624 59.7682 29.6058 179.0636 186 T 3.7423 7.6890 115.2517 66.8437 68.3507 176.4764 187 H 4.0292 8.5025 118.1222 58.9058 28.7346 177.7299 188 A 4.0038 8.3167 122.7248 54.8602 18.3013 179.4403 189 L 3.9177 7.7774 118.8523 58.3473 42.2170 179.3970 190 I 3.7425 7.9688 119.9072 64.4707 37.0696 178.3615 191 R 3.9457 8.3259 119.9481 59.5675 29.8746 178.4247 192 S 4.0620 8.2819 112.9362 61.0295 62.3663 176.0319 193 W 3.9269 8.2155 130.7819 60.3147 30.4282 178.1397 194 V 3.5401 8.1679 118.2982 65.9629 29.4627 177.8858 195 S 4.1335 8.1080 112.8223 61.6774 62.0485 176.4277 196 S 4.1680 7.7393 116.3093 60.9016 62.7020 176.0524 197 K 3.8610 7.6185 119.0677 56.7526 32.0873 176.3834 198 I 4.0323 7.5475 117.2258 59.9197 39.7539 175.8106 199 G 4.0132 6.8693 108.5135 44.0524 0.0000 173.4976 200 A 3.8707 8.0513 123.8816 55.2665 18.4096 180.1693 201 D 4.2551 7.9300 116.7316 57.3811 41.1212 178.6852 202 V 3.5521 7.8300 118.1051 66.2316 31.0956 177.8531 203 A 4.0638 7.7263 119.0924 55.0629 18.3203 179.4326 204 G 3.7240 7.9604 103.2051 47.6554 0.0000 174.9303 205 E 4.4635 7.9973 118.2466 55.4511 30.1897 176.4571 206 L 4.1016 7.2607 121.7482 55.1329 42.7596 176.2072 207 R 4.4915 8.6967 125.4462 55.8580 31.7456 175.3297 208 I 4.9646 8.9803 125.0639 59.7066 39.9254 174.8266 209 L 5.0122 9.0959 128.0392 53.6264 44.1236 175.1376 210 Y 5.0813 8.7000 122.9890 56.2778 40.7949 174.7079 211 G 3.9334 7.8720 112.4438 44.9628 0.0000 171.1077 212 G 3.9905 9.8224 111.5843 46.4262 0.0000 173.4076 213 S 3.9261 8.5285 122.3438 59.2050 60.1505 171.5462 214 V 3.9881 7.8063 119.4764 62.9812 32.1809 174.4491 215 N 5.0112 9.0427 122.5404 50.3213 40.4283 175.4608 216 G 3.6609 9.0128 105.0034 47.4522 0.0000 175.8029 217 K 4.1691 8.6234 121.7621 59.3196 32.4497 178.8489 218 N 4.2550 8.3189 115.7470 54.9308 37.6080 176.7557 219 A 3.5765 7.7347 123.6558 54.7753 18.0677 179.4661 220 R 3.9147 7.2475 116.3766 60.1383 30.1494 178.6754 221 T 4.1427 7.8723 114.9520 66.4483 68.7310 176.7789 222 L 4.0442 7.9162 120.5512 58.0806 41.4757 178.9459 223 Y 3.8972 8.3539 118.3658 60.7392 38.8229 177.9343 224 Q 4.1195 7.7988 117.5571 57.4843 29.3567 177.1467 225 Q 4.0359 7.4620 119.6751 55.5373 29.3816 177.1519 226 R 3.7726 8.7109 122.6933 59.3307 30.0512 176.8023 227 D 4.7488 8.7942 114.8644 53.7945 40.9849 175.7596 228 V 4.1564 7.3676 120.1477 61.6108 32.4204 175.2958 229 N 4.8700 10.2243 124.2164 51.4822 39.4531 175.5863 230 G 3.7784 6.5665 106.4033 44.6506 0.0000 172.3695 231 F 5.6703 8.4033 117.6837 55.8578 43.9280 173.6171 232 L 5.0265 9.0763 123.7798 53.4426 44.2442 175.1779 233 V 4.3070 8.9411 126.6998 62.7303 34.2825 174.4161 234 G 3.6634 9.3021 118.6648 46.4695 0.0000 175.2937 235 G 3.8974 9.6651 111.8488 48.8488 0.0000 175.7666 236 A 4.2876 7.9758 121.2378 53.2455 18.5194 178.3540 237 S 4.4318 8.5134 110.4349 60.0942 63.5347 175.0074 238 L 4.2450 7.7263 120.1395 54.3481 41.3830 176.0910 239 K 4.7720 7.6318 118.0452 53.1592 35.9123 175.4668 240 P 4.6015 0.0000 0.0000 65.4260 31.3136 177.7680 241 E 4.4101 8.2259 116.3265 57.8377 29.4357 178.1929 242 F 4.3619 8.3746 122.6079 61.4505 39.3337 177.0123 243 V 3.5217 8.3147 118.3916 66.0163 31.4328 177.7705 244 D 4.3108 7.9964 118.1684 57.2364 40.4277 178.6869 245 I 3.5731 7.2196 119.6539 64.1281 37.3517 178.2314 246 I 3.5659 7.3778 120.6202 64.3468 36.7809 178.7562 247 K 4.0260 7.9536 117.2847 58.8306 31.8893 178.6348 248 A 4.1611 7.5016 119.7820 53.4456 19.2691 177.4646 249 T 2.5561 7.4167 109.4530 59.5826 68.5776 174.9765 250 Q 4.0644 6.9397 123.2577 57.6142 28.0498 174.2465 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 2 S 8.33 4.43 0.00 3.85 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.19 3.99 0.00 1.91 1.76 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.45 7.81 4 P 0.00 4.55 0.00 2.22 2.11 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 5 Q 8.48 4.01 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.09 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 6 P 0.00 4.92 0.00 2.16 2.40 0.00 3.86 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 7 I 8.66 5.14 1.91 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.93 0.89 0.00 0.00 8 A 8.83 5.02 0.96 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 9 A 9.17 5.15 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 10 A 8.97 4.76 0.33 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 11 N 9.36 4.96 0.00 2.73 2.73 0.00 0.00 6.72 8.61 0.00 0.00 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 W 8.73 5.30 0.00 3.25 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 13 K 8.82 4.61 0.00 1.85 1.92 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.45 7.81 14 C 8.01 3.97 0.00 3.01 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 15 N 8.63 4.77 0.00 2.71 2.82 0.00 0.00 6.66 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 16 G 8.24 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 17 S 8.26 4.74 0.00 3.75 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.47 3.66 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.73 6.95 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 19 Q 7.71 3.88 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 20 S 7.71 3.98 0.00 3.91 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 21 L 7.71 3.41 0.00 1.63 1.63 0.90 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.38 4.05 0.00 3.93 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 0.00 23 E 7.73 3.82 0.00 1.97 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 2.36 2.41 0.00 24 L 7.37 3.52 0.00 1.40 0.87 0.63 0.52 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 25 I 7.60 3.59 1.99 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.03 0.91 0.00 0.00 26 D 7.74 4.29 0.00 2.61 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 27 L 7.46 3.92 0.00 1.67 1.70 0.93 1.02 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 28 F 8.31 4.69 0.00 2.90 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 0.00 0.00 0.00 0.00 29 N 8.39 4.46 0.00 2.83 2.89 0.00 0.00 7.05 7.78 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 30 S 7.74 4.60 0.00 4.07 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 31 T 7.41 4.28 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 1.30 0.00 0.00 32 S 8.63 4.44 0.00 3.89 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 33 I 8.28 4.38 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.67 0.77 0.00 0.00 34 N 8.76 4.50 0.00 2.83 2.96 0.00 0.00 6.29 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 H 7.86 4.55 0.00 3.26 3.31 0.00 5.52 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 36 D 8.44 4.54 0.00 2.65 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 37 V 7.79 4.40 1.87 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 0.31 0.00 0.00 0.75 0.00 0.00 38 Q 8.79 4.19 0.00 2.32 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.86 0.00 0.00 0.00 0.00 0.00 2.02 1.89 0.00 39 C 8.33 4.67 0.00 1.53 1.18 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 40 V 8.54 4.57 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 0.70 0.00 0.00 0.12 0.00 0.00 41 V 8.58 4.19 1.82 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 -0.41 0.00 0.00 0.84 0.00 0.00 42 A 8.76 5.52 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 43 P 0.00 5.04 0.00 2.25 2.32 0.00 3.85 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 44 S 8.91 4.20 0.00 3.44 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.33 3.81 0.00 3.07 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 46 V 7.90 3.93 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.99 0.00 0.00 47 H 8.48 4.94 0.00 3.28 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.37 3.74 0.00 0.83 1.06 0.66 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.72 4.07 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.02 4.73 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 51 T 8.24 3.92 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 52 K 8.10 3.96 0.00 1.82 2.06 0.00 1.86 0.00 0.00 1.95 0.00 0.00 3.25 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.49 7.81 53 E 8.18 4.10 0.00 2.27 2.47 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 2.42 2.35 0.00 54 R 8.27 4.03 0.00 1.78 2.03 0.00 3.30 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.77 0.00 55 L 7.64 4.42 0.00 1.65 1.69 0.62 0.79 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 56 S 8.89 4.64 0.00 3.98 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 57 H 8.45 4.03 0.00 3.25 3.20 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.37 0.00 2.24 2.19 0.00 3.49 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 59 K 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0.00 3.15 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.42 0.00 100 A 7.00 3.81 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 7.41 4.22 0.00 1.43 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.55 4.79 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 0.00 103 G 8.04 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 0.00 0.00 0.00 104 E 8.22 3.91 0.00 2.09 1.82 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 2.48 2.37 0.00 105 T 8.38 4.34 4.40 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 1.22 0.00 0.00 106 N 8.66 4.30 0.00 2.77 2.86 0.00 0.00 6.90 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 0.00 107 E 8.06 4.00 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 108 I 7.82 3.73 2.03 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 1.57 0.69 0.91 0.00 0.00 109 V 7.57 3.51 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 0.58 0.00 0.00 0.83 0.00 0.00 110 A 8.02 3.87 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 0.00 111 D 8.13 4.26 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.26 3.90 0.00 1.90 1.78 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.53 7.81 113 V 8.04 3.42 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 0.86 0.00 0.00 0.85 0.00 0.00 114 A 7.81 3.88 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 0.00 115 A 7.98 3.92 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 0.00 116 A 8.05 4.04 1.18 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 0.00 0.00 117 V 7.93 3.67 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 0.94 0.00 0.00 0.86 0.00 0.00 118 A 7.89 4.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.75 4.47 0.00 4.21 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 0.00 120 G 8.13 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 0.00 121 F 7.79 4.58 0.00 2.90 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 0.00 122 M 8.40 4.25 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.05 0.00 123 V 8.32 4.68 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 0.95 0.00 0.00 0.82 0.00 0.00 124 I 8.83 4.72 1.96 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.93 0.96 0.00 0.00 125 A 9.08 4.68 1.12 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 0.00 126 C 8.81 4.88 0.00 2.93 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 0.00 127 I 9.10 4.90 2.06 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 1.20 1.07 0.92 0.00 0.00 128 G 7.93 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.12 5.05 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 130 T 8.60 4.66 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 131 L 8.74 3.94 0.00 1.94 1.78 0.66 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 0.00 132 Q 8.13 3.95 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 133 E 8.13 4.07 0.00 2.31 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 2.21 0.00 134 R 8.26 4.17 0.00 2.33 2.15 0.00 3.10 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.33 0.00 135 E 8.14 3.98 0.00 1.93 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 2.22 2.34 0.00 136 S 8.34 4.44 0.00 4.06 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 0.00 137 G 7.92 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 0.00 0.00 0.00 138 R 8.36 4.63 0.00 1.94 1.91 0.00 3.16 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 139 T 8.27 3.94 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 140 A 7.92 3.93 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 0.00 141 V 7.77 3.52 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.94 0.00 0.00 142 V 7.84 3.55 2.28 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 1.00 0.00 0.00 1.02 0.00 0.00 143 V 8.24 3.58 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 0.84 0.00 0.00 1.00 0.00 0.00 144 L 8.02 3.64 0.00 2.01 1.53 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 145 T 7.74 3.76 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 1.27 0.00 0.00 146 Q 7.82 3.87 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 147 I 7.47 3.53 1.66 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.42 -0.06 0.00 0.00 148 A 7.50 3.54 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 0.00 149 A 7.56 3.92 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 0.00 150 I 7.62 3.70 1.95 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.88 0.64 0.00 0.00 151 A 8.48 4.55 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 0.00 0.00 0.00 0.00 0.00 152 K 8.06 3.96 0.00 1.99 2.03 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.56 7.81 153 K 7.69 4.34 0.00 1.71 1.82 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.53 7.81 154 L 7.40 4.80 0.00 1.63 1.63 0.79 0.08 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 0.00 155 K 9.02 4.41 0.00 1.95 1.78 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.41 7.81 156 K 8.93 4.00 0.00 1.82 1.85 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.42 7.81 157 A 8.12 4.13 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 0.00 158 D 8.57 4.46 0.00 2.84 2.64 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 0.00 159 W 8.37 3.93 0.00 3.50 3.43 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 0.00 160 A 7.71 4.18 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 0.00 161 K 8.13 4.34 0.00 1.63 1.66 0.00 1.54 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.47 7.81 162 V 7.49 4.74 1.74 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 0.25 0.00 0.00 0.47 0.00 0.00 163 V 8.53 4.50 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 1.11 0.00 0.00 1.03 0.00 0.00 164 I 8.72 4.85 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.87 0.94 0.00 0.00 165 A 8.80 5.09 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 0.00 166 Y 9.29 4.66 0.00 2.94 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 0.00 167 E 9.16 4.90 0.00 1.65 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.76 0.00 168 P 0.00 3.88 0.00 0.49 1.72 0.00 2.99 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.13 0.00 169 V 8.79 3.41 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 0.86 0.00 0.00 0.78 0.00 0.00 170 W 7.77 4.39 0.00 3.56 3.22 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 0.00 171 A 7.28 4.83 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 I 7.51 4.00 1.86 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 1.07 0.81 0.91 0.00 0.00 173 G 8.76 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 0.00 174 T 7.48 4.32 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 1.33 0.00 0.00 175 G 8.07 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 0.00 0.00 0.00 176 K 7.68 4.39 0.00 1.91 2.00 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.53 1.44 7.81 177 V 8.11 4.28 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 0.97 0.00 0.00 1.08 0.00 0.00 178 A 8.48 4.49 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 0.00 179 T 8.45 4.14 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 180 P 0.00 4.16 0.00 2.17 2.13 0.00 3.60 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 2.11 2.18 0.00 181 Q 7.99 3.96 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 182 Q 8.18 4.06 0.00 2.50 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 183 A 8.20 4.18 1.11 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 0.00 184 Q 8.24 3.84 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 185 E 8.40 3.91 0.00 2.20 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 2.31 2.37 0.00 186 T 7.69 3.74 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 0.16 0.00 0.00 187 H 8.50 4.03 0.00 3.36 3.49 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 A 8.32 4.00 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 0.00 189 L 7.78 3.92 0.00 1.78 1.80 0.96 0.92 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 0.00 190 I 7.97 3.74 2.00 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 0.82 0.97 0.00 0.00 191 R 8.33 3.95 0.00 1.99 1.94 0.00 3.15 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 192 S 8.28 4.06 0.00 3.95 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 0.00 193 W 8.22 3.93 0.00 3.50 3.32 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 0.00 194 V 8.17 3.54 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 1.13 0.00 0.00 195 S 8.11 4.13 0.00 3.94 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 0.00 196 S 7.74 4.17 0.00 3.63 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 0.00 197 K 7.62 3.86 0.00 0.79 0.96 0.00 1.26 0.00 0.00 1.25 0.00 0.00 2.68 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.21 7.81 198 I 7.55 4.03 1.44 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 0.80 -0.15 0.35 0.00 0.00 199 G 6.87 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 0.00 200 A 8.05 3.87 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 0.00 201 D 7.93 4.26 0.00 2.67 2.71 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 0.00 202 V 7.83 3.55 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.83 0.00 0.00 203 A 7.73 4.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 G 7.96 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 0.00 205 E 8.00 4.46 0.00 2.01 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 2.31 2.53 0.00 206 L 7.26 4.10 0.00 1.92 1.82 1.18 1.04 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 0.00 207 R 8.70 4.49 0.00 1.94 1.91 0.00 3.34 0.00 0.00 3.57 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.77 0.00 208 I 8.98 4.96 1.91 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 1.29 0.93 0.73 0.00 0.00 209 L 9.10 5.01 0.00 1.58 1.70 0.98 0.63 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 0.00 210 Y 8.70 5.08 0.00 3.32 3.14 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 0.00 211 G 7.87 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 0.00 0.00 0.00 212 G 9.82 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 S 8.53 3.93 0.00 4.14 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 0.00 214 V 7.81 3.99 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 0.45 0.00 0.00 1.19 0.00 0.00 215 N 9.04 5.01 0.00 3.17 2.89 0.00 0.00 6.78 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 G 9.01 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 K 8.62 4.17 0.00 2.03 1.85 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.44 7.81 218 N 8.32 4.25 0.00 2.98 3.07 0.00 0.00 5.97 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 A 7.73 3.58 0.91 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 0.00 220 R 7.25 3.91 0.00 1.66 1.99 0.00 3.28 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 221 T 7.87 4.14 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 1.23 0.00 0.00 222 L 7.92 4.04 0.00 2.04 2.04 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 223 Y 8.35 3.90 0.00 3.40 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 0.00 224 Q 7.80 4.12 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.59 0.00 0.00 0.00 0.00 0.00 2.76 2.60 0.00 225 Q 7.46 4.04 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.73 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 226 R 8.71 3.77 0.00 1.72 1.94 0.00 3.35 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 227 D 8.79 4.75 0.00 2.74 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 0.00 228 V 7.37 4.16 2.02 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 0.56 0.00 0.00 0.71 0.00 0.00 229 N 10.22 4.87 0.00 2.87 2.79 0.00 0.00 6.48 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 G 6.57 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 0.00 231 F 8.40 5.67 0.00 3.01 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 0.00 232 L 9.08 5.03 0.00 1.65 1.46 0.95 0.90 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 0.00 233 V 8.94 4.31 2.42 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 1.08 0.00 0.00 1.15 0.00 0.00 234 G 9.30 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 G 9.67 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 0.00 236 A 7.98 4.29 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 0.00 237 S 8.51 4.43 0.00 3.56 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 0.00 238 L 7.73 4.24 0.00 1.76 1.51 0.82 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 239 K 7.63 4.77 0.00 1.95 1.69 0.00 1.94 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.56 7.81 240 P 0.00 4.60 0.00 2.33 2.35 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 241 E 8.23 4.41 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 242 F 8.37 4.36 0.00 3.43 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 243 V 8.31 3.52 2.26 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 1.10 0.00 0.00 1.22 0.00 0.00 244 D 8.00 4.31 0.00 2.88 2.68 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 0.00 245 I 7.22 3.57 1.68 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.52 0.74 0.00 0.00 246 I 7.38 3.57 1.76 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.06 0.70 0.00 0.00 247 K 7.95 4.03 0.00 1.66 1.84 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.72 1.59 7.81 248 A 7.50 4.16 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 0.00 249 T 7.42 2.56 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 250 Q 6.94 4.06 0.00 2.02 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.