NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1825 8.0093 121.4539 61.7973 38.2699 174.4327 4 T 4.1020 8.7046 115.6129 62.4630 69.9970 173.2409 5 D 4.7307 8.5449 122.5689 51.7640 43.4330 177.0983 6 T 3.8348 8.5628 120.0353 63.8289 68.6535 173.6404 7 L 4.3769 8.5232 126.5339 54.4514 42.4975 177.9436 8 S 4.4117 8.5258 116.1010 57.5516 65.2296 173.6204 9 P 4.3134 0.0000 0.0000 66.3178 30.8671 178.7952 10 Q 4.1360 8.1811 115.6051 58.4503 28.9165 178.2602 11 A 4.0788 7.7165 121.9280 54.8964 18.4066 179.4301 12 F 4.4417 8.7487 119.8443 61.2320 39.4220 177.0181 13 E 3.7532 8.2242 119.1068 59.4402 29.5115 178.8141 14 E 4.0330 7.9928 117.8035 58.9978 29.2184 179.1672 15 A 4.0625 7.6623 120.1365 55.1582 18.2440 179.3766 16 L 4.0278 7.6637 117.5189 57.7446 41.6255 179.8025 17 R 4.2448 8.0361 117.8415 58.7134 30.2625 178.4178 18 A 4.0572 8.4128 120.7962 54.6365 18.2105 179.2504 19 K 4.3137 7.7697 115.8808 58.2467 32.3676 179.0673 20 G 2.0688 7.5359 106.2819 46.3818 0.0000 175.1766 21 D 4.2192 7.0005 118.9114 56.2771 40.6615 176.9488 22 F 4.8020 7.2376 116.5866 57.0534 39.5434 175.3887 23 Y 4.7182 7.8103 123.4013 57.9596 39.1509 176.9547 24 H 4.5328 8.1653 120.2116 57.4150 28.9317 177.2055 25 I 2.9017 7.4996 113.4124 63.7816 37.0769 176.3611 26 H 4.6667 7.8752 115.7422 56.7902 29.3285 175.6537 27 H 3.6770 7.8689 120.9409 55.0753 31.1459 173.9997 28 P 4.2662 0.0000 0.0000 65.8420 31.0326 178.2616 29 Y 3.8267 8.2026 118.0045 60.9355 38.8751 177.5074 30 H 4.0069 8.1621 118.6913 59.1476 29.9047 177.2199 31 I 3.7445 7.9590 121.5353 64.3148 37.0153 178.1971 32 A 4.2476 8.2202 122.6986 53.9351 17.9483 179.6496 33 M 3.6231 7.4524 117.8435 58.3860 32.0206 177.6087 34 H 4.6416 7.7727 114.7653 56.7327 30.2730 174.9073 35 N 4.4912 7.8179 116.7469 53.0179 37.5105 175.9949 36 G 3.8038 7.5935 106.3059 45.9010 0.0000 174.3087 37 N 4.5405 7.8647 115.3747 53.3414 39.3376 175.5287 38 A 4.1328 7.6396 122.3356 51.9443 19.1271 178.1433 39 T 4.2649 8.7859 113.5303 60.6621 71.4417 176.1517 40 R 3.5592 8.1082 119.8975 59.4740 29.8241 177.7601 41 E 3.8100 7.9420 118.5376 59.3291 29.6249 178.6962 42 Q 4.4020 7.6725 119.4486 58.3664 28.6635 178.7330 43 I 3.6690 7.5383 120.5996 64.6333 37.1428 178.6061 44 Q 4.2195 8.3069 119.0082 58.8707 28.5998 179.0305 45 G 2.9809 8.1033 107.1072 47.1647 0.0000 175.5408 46 W 4.2122 8.4839 130.7960 60.2869 30.8181 177.9460 47 V 3.5819 8.4944 118.2170 66.2831 30.7244 177.8576 48 A 4.0372 8.0639 118.8998 55.2358 18.3789 179.1066 49 N 4.4659 8.1638 114.8372 56.4445 38.7248 177.8100 50 R 3.6311 8.1114 120.3793 58.8934 29.8829 178.1895 51 F 3.7555 8.2770 120.9836 61.1351 39.0582 176.3296 52 Y 3.8843 7.5468 118.4482 60.7536 38.9664 177.1063 53 Y 4.1362 7.9933 119.7510 61.0345 38.0286 177.9340 54 Q 3.4863 7.6210 118.8957 58.9804 28.5130 178.8537 55 T 3.5730 7.1100 108.3174 63.5405 69.2592 176.0627 56 T 3.9427 7.0130 118.4588 65.3036 68.8177 176.8132 57 I 3.3853 6.5892 122.7204 63.7500 37.1024 176.5710 58 P 4.1910 0.0000 0.0000 65.6915 30.9736 178.5172 59 L 3.9293 7.5270 118.5080 57.4667 41.7890 178.9738 60 K 3.8739 8.2792 120.0286 59.5265 32.0977 178.5905 61 D 4.6788 8.3595 119.1243 57.1540 40.8729 178.5972 62 A 4.0190 8.1851 121.2076 54.9860 18.1345 179.4008 63 A 3.9271 8.2060 118.9075 55.4251 18.7091 179.5925 64 I 3.6895 7.6037 117.7354 64.8453 37.0108 178.6499 65 M 3.9373 7.9888 119.0562 58.1058 31.5423 178.5691 66 A 4.0483 7.9684 119.9128 54.0864 18.5329 178.2595 67 N 5.0421 7.4610 112.2849 52.1391 39.5217 174.3447 68 C 3.9565 7.3889 122.3603 56.6750 31.7515 172.3257 69 P 4.3266 0.0000 0.0000 63.2151 31.3028 176.4934 70 D 4.4259 7.1339 118.4991 52.5086 40.6230 176.2649 71 A 3.8860 8.6347 129.4971 55.3661 18.4146 178.4083 72 Q 3.8792 8.0452 117.0973 59.9792 29.0003 178.8503 73 T 4.0375 7.8300 116.0044 66.6829 68.2973 176.9810 74 R 3.9237 7.8985 120.0887 59.2345 29.8298 179.1865 75 R 3.8869 8.0216 117.2375 58.8396 29.9687 178.3078 76 K 4.2138 7.7400 117.7823 58.4069 32.6936 178.4973 77 W 3.6668 8.6325 129.2890 60.0580 30.5726 178.4254 78 V 3.7245 8.2487 119.4235 64.5163 30.7377 177.9881 79 Q 3.8809 7.6209 120.2049 59.2333 28.5855 178.5966 80 R 3.7366 7.6287 118.6874 59.0583 29.8955 179.1613 81 I 3.7118 7.4506 119.0325 64.3672 37.3763 177.9207 82 L 3.9333 7.9525 119.9138 58.2052 41.4345 179.4978 83 D 4.2752 8.0999 118.3481 57.7180 40.7754 178.6074 84 H 4.3494 7.8622 116.5648 58.7297 28.6785 177.3905 85 D 4.5026 8.4374 119.6922 53.7939 41.0516 177.1812 86 G 4.1653 7.5135 106.8445 45.3904 0.0000 173.3436 87 S 4.4697 7.8991 111.9163 57.9835 63.9412 173.4012 *91 D 4.3745 7.9718 120.2089 54.2522 40.4508 174.3663 92 G 4.1720 8.5605 105.4427 46.1579 0.0000 174.9371 93 G 3.7539 9.0133 108.8884 47.7089 0.0000 176.2845 94 I 4.1270 8.1163 121.5466 63.6984 37.1567 177.8772 95 E 4.1970 8.4803 120.4970 58.8031 29.5933 178.3139 96 A 4.3504 8.2619 120.6614 55.1008 18.4882 179.4670 97 W 4.2425 8.5039 117.2594 59.9256 29.2017 178.7965 98 L 4.0142 8.2397 119.0960 57.9444 40.9959 179.8210 99 R 3.9917 8.1252 117.6799 58.9715 29.9543 178.8301 100 L 4.0212 8.1133 120.3235 57.9053 41.8959 179.1003 101 G 3.7119 8.2708 105.7597 48.1355 0.0000 175.5280 102 E 4.7187 8.5104 122.1884 58.5031 29.3768 179.1982 103 A 4.1602 8.5285 121.2423 54.5543 18.1627 179.0274 104 V 4.5262 7.8039 108.1433 61.0791 32.0369 176.7660 105 G 4.0097 8.0153 106.5201 45.4739 0.0000 173.7775 106 L 4.5229 8.1737 120.2701 53.4487 43.2806 175.8148 107 S 5.0006 8.1326 115.1325 56.5499 66.6489 175.4844 108 R 3.8094 8.2454 119.9366 59.5425 29.7811 178.8335 109 D 4.6378 8.0276 116.9184 56.8420 41.0158 177.8941 110 D 4.2642 7.5926 119.1794 57.2304 40.9916 178.3783 111 L 3.8799 7.4300 119.1932 57.8461 41.3983 179.6087 112 L 4.2304 8.0386 117.9174 57.8132 41.5640 179.5175 113 S 4.2710 7.8775 113.5956 59.3936 63.0825 175.2423 114 E 4.1016 8.1962 119.7850 56.5412 27.4916 176.3913 115 R 4.1021 7.8808 119.0684 59.4295 30.1781 177.5983 116 H 4.8296 8.2737 112.7495 56.8793 29.2482 175.5141 117 V 3.7371 7.4361 120.4000 62.4903 31.6858 176.2802 118 L 2.9497 8.6765 128.3678 53.4947 43.2538 176.3602 119 P 3.6172 0.0000 0.0000 65.5079 31.1015 179.3814 120 G 3.4167 7.4197 103.9270 47.4607 0.0000 175.8202 121 V 3.4927 7.2834 120.0509 65.7706 31.6303 177.9278 122 R 3.6699 7.4766 118.3512 59.4030 29.8496 178.4893 123 F 4.6358 8.1453 117.6668 60.5360 38.5784 177.6166 124 A 4.0470 7.9557 120.5380 55.2769 18.1422 179.9159 125 V 3.8840 8.3550 117.2702 66.4332 31.6037 178.0284 126 D 4.5290 9.2228 118.7546 56.9898 40.5426 178.3860 127 A 4.2185 8.3424 121.7222 55.4739 18.3063 178.8823 128 Y 4.6189 7.8640 116.4749 61.0308 38.9423 177.8859 129 L 3.8731 7.8420 121.1971 58.5067 42.0441 178.7395 130 N 4.4043 8.5679 116.3125 56.2059 38.4805 177.0921 131 F 4.1319 8.8139 121.9319 61.4259 39.3475 176.7926 132 A 3.9037 8.2429 118.9977 55.5286 18.1483 179.5476 133 R 3.9557 7.9493 115.3680 58.7617 30.1819 178.5351 134 R 4.3233 7.2140 115.9036 56.2124 31.5967 176.9329 135 A 3.9767 7.2826 120.8325 51.1391 19.2214 177.3969 136 C 4.2867 8.0484 115.1118 57.5912 31.7626 174.8353 137 W 4.0640 8.5372 120.0253 59.8969 27.5712 178.3799 138 Q 2.9390 6.1470 118.0577 58.4578 27.6746 178.7160 139 E 3.9975 7.4125 117.4388 59.1090 29.9368 178.8552 140 A 4.4528 7.8427 120.6279 55.1202 18.3689 179.2666 141 A 3.6815 8.1270 119.7761 55.7758 18.2898 179.7882 142 C 4.3173 8.2178 114.8032 62.5190 27.9165 176.2935 143 S 4.4355 8.0300 115.0182 60.9159 63.0573 176.2226 144 S 4.5180 8.3203 118.1682 60.7211 62.8184 175.6859 145 L 3.9860 7.9314 124.4519 57.8984 41.8131 178.5236 146 T 3.4297 7.9540 109.0847 63.9185 68.1635 174.9737 147 E 4.2512 7.9059 119.5234 57.4656 29.5644 178.4252 148 L 3.8256 7.0696 120.5420 57.7439 41.7525 177.8253 149 F 4.5360 6.4905 113.7443 57.7895 39.1756 176.5421 150 A 4.5508 7.3171 124.1910 53.7923 18.6152 176.4893 151 P 4.4765 0.0000 0.0000 62.3388 32.1674 176.0516 *160 S 4.5236 8.5416 115.6595 58.1617 64.2838 175.5656 161 W 3.9561 8.2656 119.6562 58.4190 29.0292 175.9697 162 P 4.0474 0.0000 0.0000 65.9752 30.7679 177.1158 163 Q 4.0028 8.0223 120.0513 58.6219 29.2445 177.6248 164 H 4.0039 7.3307 113.1996 58.4245 28.9535 175.8405 165 Y 4.6325 7.7322 119.0698 54.9842 37.9465 174.1864 166 P 4.4879 0.0000 0.0000 63.8948 32.0548 178.6158 167 W 4.3928 7.9237 116.1288 59.0104 28.5720 177.0364 168 I 3.6576 6.2685 119.9167 60.8102 36.5066 176.0190 169 K 4.2145 8.9964 125.9908 56.2589 32.8344 178.1114 170 E 4.1666 8.9496 122.2496 59.5702 29.6245 179.0028 171 E 4.1139 8.3561 119.3580 59.3951 29.6436 179.6181 172 G 3.7300 8.1616 104.9653 47.9457 0.0000 174.8879 173 Y 4.2535 7.8716 121.1122 60.3366 38.5666 177.6828 174 F 3.9201 8.5999 121.9279 61.2926 39.4632 176.6238 175 Y 3.3724 8.0952 119.2273 60.2878 37.9385 178.0259 176 F 3.9775 8.2075 121.7708 61.1733 39.3142 177.1385 177 R 3.3949 7.0663 115.9108 59.7581 29.9263 178.5702 178 S 3.5589 7.8901 113.9433 61.2731 62.7110 176.3077 179 R 3.6801 6.8676 122.2204 58.9871 31.3357 177.4765 180 L 4.1158 6.6174 117.1701 54.3307 39.7060 176.7834 181 S 3.1708 7.4912 108.3021 62.7987 62.6151 176.5394 *186 D 4.4277 7.9390 119.7726 52.9217 43.8186 176.6911 187 V 3.9434 7.2373 118.0299 64.0540 32.3456 177.8062 188 E 4.0339 8.2410 116.5130 58.4242 28.9494 176.2959 189 H 5.0066 8.2914 116.7132 57.4648 31.6201 175.4989 190 G 3.9687 8.1435 107.1072 46.7978 0.0000 174.0590 191 L 4.1984 7.8321 121.4525 56.7890 41.6739 177.2126 192 A 4.3919 8.2064 118.6743 53.2048 18.3025 178.1546 193 L 4.7317 7.7627 118.1512 55.6607 44.1060 178.0626 194 A 4.2042 7.6847 120.4660 55.3323 18.2292 179.7730 195 K 4.2155 7.8957 115.0553 59.5136 32.2708 178.4291 196 A 4.2952 7.4709 117.7846 53.5672 18.8892 177.2079 197 Y 4.5140 7.9802 115.6403 58.4867 40.4148 176.1424 198 C 4.0481 8.3841 119.5884 58.1280 26.4460 172.8492 199 D 4.6149 7.5729 117.3754 52.8541 40.3085 177.6226 200 S 5.2314 7.3768 115.7642 55.0437 67.3964 174.4530 201 A 4.0000 8.3207 123.8528 55.1802 17.9061 179.1950 202 E 3.7923 8.1491 117.4663 59.8892 29.6020 179.2153 203 K 3.8978 8.0478 117.9429 59.4424 32.1101 179.2803 204 Q 3.5281 7.9049 118.2831 58.8591 28.4573 178.3425 205 N 4.2722 8.2673 117.2510 56.8416 38.6580 177.4667 206 R 3.9309 7.8095 119.7728 59.5747 30.1091 178.1293 207 M 4.1985 8.8178 118.4317 58.7796 32.2729 178.2452 208 L 4.0904 8.3821 119.2315 57.6136 41.7005 179.0983 209 E 4.0073 8.1405 119.4933 59.1423 29.6099 178.7588 210 I 3.5800 8.1924 120.3755 64.2796 37.1905 178.1541 211 L 4.0426 8.3605 121.4678 58.0945 41.8475 178.7201 212 Q 3.9575 8.3228 119.5682 59.0981 29.0114 177.6849 213 F 4.1057 8.3073 121.8661 61.5440 39.1455 177.1171 214 K 3.3486 7.9597 118.6419 59.4562 32.0049 178.7364 215 L 4.1206 8.0655 119.1336 57.8705 41.4534 179.2607 216 D 4.4082 8.3744 119.2664 57.2802 40.6960 178.7608 217 I 3.6129 7.4411 120.3269 64.3300 36.9199 178.5414 218 L 3.7785 7.5702 119.8965 57.2559 41.3854 179.2524 219 W 4.0007 8.3110 128.2870 60.7141 30.6274 178.1479 220 S 4.1685 8.6196 115.4650 61.7686 62.2138 176.3907 221 M 3.8952 7.9312 121.3811 58.7343 31.7476 178.9782 222 L 3.7183 7.4636 118.5263 57.1855 41.6394 179.2962 223 D 4.2898 8.0230 119.1907 57.2696 40.2756 178.4878 224 A 3.8191 7.9933 121.3214 55.4009 18.3318 179.6702 225 M 3.5981 7.6652 117.0599 58.6374 31.9566 178.5816 226 T 3.9991 7.7566 116.1114 67.4934 68.7209 175.9683 227 M 3.9106 8.0891 119.6453 58.5031 31.7957 178.7096 228 A 4.0452 7.1168 118.5763 54.0436 19.1402 178.2091 229 Y 4.8024 7.7292 112.4499 58.3835 40.0758 176.7671 230 A 4.5274 8.2771 121.1833 52.7094 19.9418 177.5284 231 L 4.6067 7.7826 112.2723 53.7319 43.0175 176.0513 232 Q 3.4946 8.1159 116.0933 57.3579 26.6857 173.8343 233 R 4.2298 8.0577 111.3207 54.5724 30.9538 174.0307 234 P 4.3077 0.0000 0.0000 61.4549 32.5631 174.1527 235 P 3.9555 0.0000 0.0000 64.6497 31.5740 176.0548 236 Y 3.8295 8.2940 118.1255 59.0986 35.1793 171.2686 237 H 4.4347 8.1062 117.8596 58.6502 28.4680 176.4939 238 T 4.1043 7.6144 108.1269 62.5577 69.2652 175.0280 239 V 4.2556 7.9871 121.5675 64.2017 33.3787 175.3909 240 T 4.7105 7.4691 112.7537 62.5310 72.1951 173.1917 241 D 4.6547 8.5744 122.0224 54.9493 41.5826 177.0204 242 K 4.3612 7.5801 118.1072 54.2661 33.7314 176.1127 243 A 3.2370 8.1552 124.5537 52.2770 18.3316 177.3840 244 A 4.4231 7.7805 123.4874 50.8093 20.6211 175.7982 245 W 4.6992 7.5141 113.2982 55.9739 29.0154 175.6368 246 H 4.6186 8.8735 114.8494 56.0186 28.6474 175.0711 247 T 4.7360 8.4426 109.2025 61.3931 69.5359 173.2990 248 T 4.6201 7.8409 117.5057 62.0976 71.4084 174.6704 249 R 4.3198 8.4333 124.2794 55.9071 28.7365 177.3625 250 L 4.0701 8.5470 123.1849 57.8622 41.8620 179.5949 251 V 3.8939 7.8350 109.0885 62.8549 31.8853 176.6658 252 L 4.5431 7.9362 118.2970 54.8776 43.3875 176.1570 253 E 4.3109 8.1936 121.9412 56.3622 29.7067 175.5832 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 3 I 8.01 4.18 2.03 0.00 0.00 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 1.52 1.19 0.97 0.00 0.00 4 T 8.70 4.10 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 1.21 0.00 0.00 5 D 8.54 4.73 0.00 2.67 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.56 3.83 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 7 L 8.52 4.38 0.00 1.82 1.70 0.99 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.53 4.41 0.00 4.08 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 9 P 0.00 4.31 0.00 2.23 2.23 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 10 Q 8.18 4.14 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 11 A 7.72 4.08 1.38 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 12 F 8.75 4.44 0.00 3.13 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.22 3.75 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 14 E 7.99 4.03 0.00 2.03 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 2.51 2.47 0.00 15 A 7.66 4.06 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 16 L 7.66 4.03 0.00 1.71 1.63 0.29 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.04 4.24 0.00 1.88 2.01 0.00 3.17 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 18 A 8.41 4.06 1.33 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 19 K 7.77 4.31 0.00 2.16 2.00 0.00 2.02 0.00 0.00 2.00 0.00 0.00 3.10 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.67 1.70 7.81 20 G 7.54 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 0.00 0.00 0.00 21 D 7.00 4.22 0.00 2.09 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 0.00 0.00 0.00 22 F 7.24 4.80 0.00 3.06 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 23 Y 7.81 4.72 0.00 3.10 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 24 H 8.17 4.53 0.00 3.15 3.47 0.00 5.53 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 25 I 7.50 2.90 1.73 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 1.48 0.18 0.90 0.00 0.00 26 H 7.88 4.67 0.00 3.66 3.62 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 H 7.87 3.68 0.00 2.04 2.77 0.00 5.60 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.27 0.00 2.20 2.10 0.00 3.22 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 2.10 2.17 0.00 29 Y 8.20 3.83 0.00 3.06 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 30 H 8.16 4.01 0.00 3.12 3.32 0.00 5.73 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.96 3.74 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.91 0.00 0.00 32 A 8.22 4.25 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 33 M 7.45 3.62 0.00 1.51 1.92 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.97 0.00 34 H 7.77 4.64 0.00 3.20 3.34 0.00 5.71 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 35 N 7.82 4.49 0.00 2.81 2.91 0.00 0.00 6.93 8.47 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 36 G 7.59 3.80 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 0.00 0.00 0.00 37 N 7.86 4.54 0.00 2.63 2.80 0.00 0.00 7.02 7.35 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 38 A 7.64 4.13 0.93 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 39 T 8.79 4.26 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 40 R 8.11 3.56 0.00 1.07 1.58 0.00 2.34 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.16 0.00 41 E 7.94 3.81 0.00 2.00 1.89 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 2.24 2.38 0.00 42 Q 7.67 4.40 0.00 2.18 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.34 0.00 43 I 7.54 3.67 2.02 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.17 0.90 0.00 0.00 44 Q 8.31 4.22 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 45 G 8.10 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 0.00 0.00 0.00 46 W 8.48 4.21 0.00 3.84 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.49 3.58 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.37 0.00 0.00 48 A 8.06 4.04 1.43 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 0.00 0.00 49 N 8.16 4.47 0.00 2.91 2.81 0.00 0.00 6.66 7.46 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 50 R 8.11 3.63 0.00 0.91 1.18 0.00 2.88 0.00 0.00 3.02 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.70 0.00 51 F 8.28 3.76 0.00 3.35 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 7.55 3.88 0.00 2.92 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 53 Y 7.99 4.14 0.00 2.99 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 54 Q 7.62 3.49 0.00 1.41 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.63 0.00 0.00 0.00 0.00 0.00 1.49 1.16 0.00 55 T 7.11 3.57 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 0.40 0.00 0.00 56 T 7.01 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 1.03 0.00 0.00 57 I 6.59 3.39 1.52 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 -0.06 0.71 0.00 0.00 58 P 0.00 4.19 0.00 2.18 2.25 0.00 3.39 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 2.03 1.91 0.00 59 L 7.53 3.93 0.00 1.72 1.67 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.28 3.87 0.00 1.43 1.70 0.00 0.88 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.11 0.51 7.81 61 D 8.36 4.68 0.00 2.96 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 62 A 8.19 4.02 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 63 A 8.21 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 64 I 7.60 3.69 1.85 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 1.40 1.18 0.19 0.00 0.00 65 M 7.99 3.94 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.60 0.00 66 A 7.97 4.05 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.46 5.04 0.00 2.79 2.85 0.00 0.00 6.69 8.35 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 68 C 7.39 3.96 0.00 2.47 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.33 0.00 2.04 2.03 0.00 3.59 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 2.05 2.03 0.00 70 D 7.13 4.43 0.00 2.55 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 0.00 0.00 0.00 0.00 71 A 8.63 3.89 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 72 Q 8.05 3.88 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 73 T 7.83 4.04 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 74 R 7.90 3.92 0.00 2.02 1.93 0.00 3.16 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 75 R 8.02 3.89 0.00 1.99 2.00 0.00 3.14 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 76 K 7.74 4.21 0.00 1.95 2.09 0.00 1.32 0.00 0.00 1.50 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.42 7.81 77 W 8.63 3.67 0.00 3.69 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.25 3.72 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 0.75 0.00 0.00 0.93 0.00 0.00 79 Q 7.62 3.88 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 *91 D 7.97 4.37 0.00 2.83 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 92 G 8.56 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 9.01 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 94 I 8.12 4.13 2.04 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 1.13 1.12 1.04 0.00 0.00 95 E 8.48 4.20 0.00 2.24 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 2.42 2.60 0.00 96 A 8.26 4.35 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 97 W 8.50 4.24 0.00 3.89 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.24 4.01 0.00 1.94 1.76 1.08 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.13 3.99 0.00 2.03 2.03 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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 R 8.25 3.81 0.00 1.86 2.00 0.00 3.12 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 109 D 8.03 4.64 0.00 2.71 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 7.59 4.26 0.00 2.70 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.43 3.88 0.00 1.21 0.38 0.85 0.58 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 0.00 112 L 8.04 4.23 0.00 1.65 1.80 0.96 1.15 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 0.00 113 S 7.88 4.27 0.00 4.09 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.20 4.10 0.00 2.33 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 0.00 2.49 2.56 0.00 115 R 7.88 4.10 0.00 1.96 2.11 0.00 3.16 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 116 H 8.27 4.83 0.00 3.23 3.53 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 7.44 3.74 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 0.09 0.00 0.00 1.03 0.00 0.00 118 L 8.68 2.95 0.00 1.33 0.95 0.42 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 3.62 0.00 1.69 1.73 0.00 2.77 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.09 0.00 120 G 7.42 3.42 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 0.00 121 V 7.28 3.49 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 1.09 0.00 0.00 0.85 0.00 0.00 122 R 7.48 3.67 0.00 1.23 1.60 0.00 2.98 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 123 F 8.15 4.64 0.00 3.09 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 0.00 124 A 7.96 4.05 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 0.00 125 V 8.35 3.88 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.28 0.00 0.00 126 D 9.22 4.53 0.00 2.96 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 0.00 127 A 8.34 4.22 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 0.00 0.00 0.00 0.00 0.00 128 Y 7.86 4.62 0.00 3.07 3.20 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 0.00 129 L 7.84 3.87 0.00 1.72 1.90 0.86 0.71 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 0.00 130 N 8.57 4.40 0.00 3.07 2.95 0.00 0.00 6.73 8.44 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 0.00 131 F 8.81 4.13 0.00 3.31 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 0.00 132 A 8.24 3.90 1.38 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 0.00 133 R 7.95 3.96 0.00 2.01 1.98 0.00 3.15 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 134 R 7.21 4.32 0.00 1.74 1.88 0.00 3.16 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 135 A 7.28 3.98 0.27 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 0.00 136 C 8.05 4.29 0.00 2.95 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 0.00 137 W 8.54 4.06 0.00 3.35 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 0.00 138 Q 6.15 2.94 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 139 E 7.41 4.00 0.00 1.97 2.20 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 2.42 2.23 0.00 140 A 7.84 4.45 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.13 3.68 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 C 8.22 4.32 0.00 3.11 3.12 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 0.00 143 S 8.03 4.44 0.00 4.27 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 0.00 144 S 8.32 4.52 0.00 4.22 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.93 3.99 0.00 1.97 1.78 0.97 1.23 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 0.00 146 T 7.95 3.43 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 1.42 0.00 0.00 147 E 7.91 4.25 0.00 2.29 2.30 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 2.38 2.31 0.00 148 L 7.07 3.83 0.00 0.79 1.52 0.80 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 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0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.60 3.92 0.00 3.20 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 0.00 175 Y 8.10 3.37 0.00 3.21 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 0.00 176 F 8.21 3.98 0.00 3.02 3.02 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 0.00 177 R 7.07 3.39 0.00 1.47 1.57 0.00 3.03 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.01 0.00 178 S 7.89 3.56 0.00 3.03 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 0.00 179 R 6.87 3.68 0.00 1.19 1.59 0.00 3.01 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 180 L 6.62 4.12 0.00 1.46 1.35 0.59 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 181 S 7.49 3.17 0.00 3.86 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 *186 D 7.94 4.43 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 V 7.24 3.94 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 0.93 0.00 0.00 0.88 0.00 0.00 188 E 8.24 4.03 0.00 2.00 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 0.00 2.31 2.30 0.00 189 H 8.29 5.01 0.00 3.20 3.33 0.00 5.62 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 0.00 190 G 8.14 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 L 7.83 4.20 0.00 1.77 1.69 0.89 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 192 A 8.21 4.39 1.47 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 0.00 193 L 7.76 4.73 0.00 2.03 1.82 1.04 1.21 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 0.00 194 A 7.68 4.20 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 K 7.90 4.22 0.00 1.84 2.02 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.80 1.52 7.81 196 A 7.47 4.30 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 0.00 197 Y 7.98 4.51 0.00 2.82 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 0.00 198 C 8.38 4.05 0.00 2.55 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 0.00 199 D 7.57 4.61 0.00 2.66 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 0.00 200 S 7.38 5.23 0.00 3.91 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 A 8.32 4.00 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 0.00 202 E 8.15 3.79 0.00 2.02 1.86 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 2.30 2.40 0.00 203 K 8.05 3.90 0.00 1.53 1.49 0.00 1.40 0.00 0.00 1.23 0.00 0.00 2.13 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.04 1.24 7.81 204 Q 7.90 3.53 0.00 1.88 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 1.16 1.93 0.00 205 N 8.27 4.27 0.00 2.83 2.92 0.00 0.00 6.79 7.22 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 0.00 206 R 7.81 3.93 0.00 1.85 2.09 0.00 3.13 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 207 M 8.82 4.20 0.00 2.68 2.39 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.94 0.00 208 L 8.38 4.09 0.00 2.01 1.80 1.12 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 209 E 8.14 4.01 0.00 2.15 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 0.00 2.30 2.38 0.00 210 I 8.19 3.58 2.09 0.00 0.00 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 1.28 0.62 0.97 0.00 0.00 211 L 8.36 4.04 0.00 2.03 1.91 1.01 1.11 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 0.00 212 Q 8.32 3.96 0.00 2.39 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.46 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 213 F 8.31 4.11 0.00 3.00 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 0.00 214 K 7.96 3.35 0.00 1.98 2.00 0.00 0.88 0.00 0.00 0.61 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.62 1.44 7.81 215 L 8.07 4.12 0.00 1.99 1.85 1.22 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 216 D 8.37 4.41 0.00 2.80 2.69 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 0.00 217 I 7.44 3.61 1.70 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.12 0.81 0.00 0.00 218 L 7.57 3.78 0.00 1.56 1.46 0.74 0.25 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 0.00 219 W 8.31 4.00 0.00 3.65 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 S 8.62 4.17 0.00 3.95 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 0.00 221 M 7.93 3.90 0.00 1.95 2.14 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.54 0.00 222 L 7.46 3.72 0.00 1.09 1.01 0.67 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 223 D 8.02 4.29 0.00 2.86 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 0.00 224 A 7.99 3.82 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 0.00 225 M 7.67 3.60 0.00 1.76 1.18 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.50 0.00 226 T 7.76 4.00 4.42 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 1.27 0.00 0.00 227 M 8.09 3.91 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.67 0.00 228 A 7.12 4.05 0.56 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 0.00 0.00 229 Y 7.73 4.80 0.00 3.20 3.02 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 0.00 230 A 8.28 4.53 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 0.00 231 L 7.78 4.61 0.00 1.73 1.65 0.92 0.95 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 0.00 232 Q 8.12 3.49 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 7.47 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 233 R 8.06 4.23 0.00 1.67 1.65 0.00 3.13 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.63 0.00 234 P 0.00 4.31 0.00 2.41 2.17 0.00 3.78 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.07 0.00 235 P 0.00 3.96 0.00 2.13 1.52 0.00 3.62 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.85 0.00 236 Y 8.29 3.83 0.00 3.31 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 0.00 237 H 8.11 4.43 0.00 3.32 3.62 0.00 5.55 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 0.00 238 T 7.61 4.10 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 239 V 7.99 4.26 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 0.82 0.00 0.00 1.01 0.00 0.00 240 T 7.47 4.71 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 1.21 0.00 0.00 241 D 8.57 4.65 0.00 2.67 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 0.00 242 K 7.58 4.36 0.00 1.66 1.61 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.38 7.81 243 A 8.16 3.24 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 0.00 244 A 7.78 4.42 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 245 W 7.51 4.70 0.00 3.38 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 0.00 246 H 8.87 4.62 0.00 3.39 3.44 0.00 5.47 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 247 T 8.44 4.74 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 1.33 0.00 0.00 248 T 7.84 4.62 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 1.31 0.00 0.00 249 R 8.43 4.32 0.00 2.01 2.00 0.00 3.19 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 250 L 8.55 4.07 0.00 1.71 1.79 0.96 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 251 V 7.83 3.89 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.98 0.00 0.00 252 L 7.94 4.54 0.00 1.65 1.72 0.93 0.87 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 0.00 253 E 8.19 4.31 0.00 2.14 1.86 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 2.28 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.