NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6327 8.5298 119.7065 55.2796 33.4603 174.2436 2 N 4.6811 7.7994 119.4857 49.7497 40.4057 173.0374 3 D 4.5779 8.7756 117.0282 57.6469 41.4137 180.2602 4 R 3.8424 7.7292 118.9621 59.5499 30.1493 178.0016 5 D 4.0298 7.7316 118.0564 57.2995 40.6340 178.7363 6 F 4.6472 7.7542 117.6265 60.9189 39.0320 177.3108 7 M 4.2470 7.9323 118.4982 58.0861 31.6386 178.6670 8 R 3.7173 7.7005 117.8514 59.2300 30.4123 177.3599 9 Y 4.8563 7.6255 114.8586 57.8805 38.0921 177.3060 10 S 4.2266 7.7412 118.6598 62.0789 62.6225 176.7341 11 R 4.1258 8.0688 118.9531 57.7721 30.0667 177.7419 12 Q 4.4268 7.8271 117.3255 57.7255 29.9461 177.4618 13 I 3.7335 8.1564 121.1869 64.5778 36.9804 178.2426 14 L 4.1482 7.7823 117.8887 55.6249 41.9220 177.3356 15 L 4.2891 7.6247 120.8650 53.9293 42.4024 177.3295 16 D 4.3824 8.9575 123.8993 57.7982 40.8351 177.9262 17 D 4.4628 8.0561 116.1009 55.9924 40.7819 175.8021 18 I 4.0148 7.1141 117.7303 58.9911 40.0881 179.2967 19 A 4.8061 8.2334 123.5232 51.0490 18.6920 177.3079 20 L 4.0789 8.3324 115.5299 58.6583 41.8996 179.0791 21 D 4.4154 8.1958 118.5923 57.3337 40.8402 178.6519 22 G 3.6342 8.2623 105.6880 48.1844 0.0000 175.0284 23 Q 3.9808 8.4195 122.8395 58.9422 28.6892 178.7224 24 Q 3.9407 7.9759 120.3793 58.9703 27.7019 178.0314 25 K 3.9623 8.2617 119.8507 59.2464 31.9108 179.3308 26 L 3.8367 8.3939 119.5969 57.8850 41.5466 179.5296 27 L 4.1116 7.6753 117.9577 56.9117 41.1837 178.0514 28 D 5.0719 7.3623 117.1510 53.9811 41.7273 176.2585 29 S 5.0449 7.4974 115.0017 56.7882 66.3868 172.7452 30 Q 5.0317 10.2653 124.0339 54.3348 31.8592 174.1925 31 V 4.7497 9.2506 126.6927 61.0099 34.4741 173.7743 32 L 4.7217 8.6516 130.8549 54.2697 43.5971 175.3731 33 I 4.6535 8.6036 128.8701 59.8087 38.3154 174.4443 34 I 4.1285 8.6744 129.4682 61.7671 37.9528 175.1698 35 G 4.0870 9.6785 118.0448 46.2795 0.0000 173.4679 36 L 5.0262 8.8463 124.9438 53.8235 43.0979 176.3530 37 G 4.4067 7.2774 114.9664 45.4170 0.0000 176.6982 38 G 3.6342 8.8213 110.6231 47.3612 0.0000 174.1360 39 L 4.3645 7.9115 121.2201 57.1143 42.0643 178.9889 40 G 3.8505 7.9091 106.3332 47.4902 0.0000 175.2082 41 T 3.6978 7.8272 117.9959 66.1722 68.5094 174.8909 42 P 4.2836 0.0000 0.0000 65.6219 31.5297 178.0418 43 A 4.0682 7.9955 120.0261 55.0678 18.2533 179.5278 44 A 3.9334 8.1036 119.1424 55.2664 18.6211 179.7228 45 L 3.8110 7.6417 117.1493 58.2789 41.7265 179.4517 46 Y 4.0767 7.9715 116.4518 60.7843 37.9264 178.0581 47 L 4.1116 8.1336 119.7750 57.2774 41.6535 179.3793 48 A 4.0767 8.2394 121.2394 55.1348 18.3583 179.9001 49 G 3.8675 7.8010 104.3551 48.2447 0.0000 174.2877 50 A 4.2560 7.9250 120.9322 52.4621 19.2528 176.9173 51 G 3.5019 8.4890 103.5960 45.9310 0.0000 174.3261 52 V 3.8264 7.7270 118.9244 62.0879 32.1992 176.0617 53 G 4.2549 8.9993 116.5212 48.5519 0.0000 173.1579 54 T 5.1277 8.4960 118.1505 61.2263 72.5339 173.0228 55 L 4.9048 8.8590 126.8716 53.0563 44.3950 176.2744 56 V 4.0742 8.6858 126.4255 61.6910 32.4413 175.1072 57 L 4.7284 9.1592 130.3182 53.6495 42.6397 175.6169 58 A 5.1545 8.2726 127.0515 50.3990 21.1936 175.2071 59 D 4.4065 8.9765 119.2571 53.6640 45.5157 174.8391 60 D 4.9780 8.1393 128.0590 51.1980 40.0108 173.8869 61 D 4.5441 7.4875 119.5324 53.5594 44.9319 174.2332 62 D 5.1201 8.5469 122.8588 52.2377 43.6956 176.5802 63 V 3.4284 7.9711 120.7007 63.4467 30.6657 174.8288 64 H 5.0782 8.4862 125.1641 53.9441 30.9417 176.2562 65 L 4.2362 8.6309 122.6799 58.2378 42.1396 178.6635 66 S 4.3950 7.5189 110.0249 58.6437 62.8269 174.3766 67 N 4.8966 8.1478 120.6180 54.8747 40.3718 176.8847 68 L 4.1612 8.1586 113.6418 55.7422 41.1441 177.2014 69 Q 4.6236 8.0598 116.1902 56.0778 29.5318 176.4911 70 R 4.6192 7.8017 110.7711 56.4849 32.6766 175.5920 71 Q 4.4062 7.6938 119.6080 53.5856 27.9575 175.6258 72 I 3.5688 7.8544 121.8706 64.2713 37.7629 177.2379 73 L 3.8707 7.4805 120.1850 57.5536 41.9915 177.0753 74 F 4.9821 7.1060 115.9754 56.8385 39.9832 174.1521 75 T 4.8016 8.3414 110.9642 60.3976 72.1363 175.0130 76 T 3.8944 8.5610 116.5559 67.1270 68.3919 176.7802 77 E 4.0933 7.4523 118.8787 58.4556 29.6509 177.4725 78 D 4.6017 7.7590 118.1748 54.3096 41.5546 176.5708 79 I 4.0272 7.3224 121.1618 63.0924 37.4321 175.5303 80 D 4.8614 9.0280 125.0874 53.9034 40.3631 175.4411 81 R 4.3174 7.4379 115.1165 54.0047 31.0249 174.1546 82 P 4.6766 0.0000 0.0000 62.9822 32.4974 177.6207 83 K 3.4545 8.6661 122.9248 59.3897 31.9158 179.0122 84 S 4.1094 8.1702 113.1394 61.8604 62.2844 176.1883 85 Q 4.1140 7.9626 118.7454 58.4595 28.8010 177.9455 86 V 3.6804 7.9059 120.8100 65.6968 31.4680 178.1834 87 S 4.2152 8.7134 115.6190 61.7156 62.8037 176.1070 88 Q 4.0025 7.8221 122.3553 59.3645 28.5222 178.5043 89 Q 3.8923 8.0433 119.9873 59.3358 29.0477 178.2371 90 R 3.9391 8.0934 118.9900 59.4024 30.0860 179.1502 91 L 3.9936 8.4102 119.0748 58.1215 41.3598 179.7332 92 T 3.8773 7.7139 114.8049 66.6736 68.3889 176.4402 93 Q 4.1205 7.6975 119.4150 58.5184 28.7202 178.3252 94 L 4.3177 7.3524 120.7374 56.7157 42.8651 176.9830 95 N 4.7952 8.2738 122.3033 51.0158 39.5692 172.6410 96 P 4.3740 0.0000 0.0000 64.2002 31.8011 177.0440 97 D 4.8096 7.5290 117.6776 53.9787 40.6877 175.6683 98 I 4.7515 7.2345 111.8135 58.7518 41.4072 174.6821 99 Q 4.1017 8.6448 124.6738 56.1484 29.7735 174.7678 100 L 5.1289 8.5651 127.5723 53.3535 43.1791 175.2260 101 T 4.4333 8.5712 120.5971 62.2244 70.1676 173.6190 102 A 4.9929 8.6202 128.5349 50.4970 20.8641 176.4515 103 L 4.3298 8.9431 124.4707 53.1609 42.2397 175.4177 104 Q 4.7510 8.6068 126.4069 53.5942 26.8091 173.7228 105 Q 4.8833 7.5893 119.6306 56.1384 31.8792 173.9193 106 R 4.4287 8.4574 120.0530 54.3154 30.7257 175.7564 107 L 4.0447 8.4083 127.3076 55.4677 42.2319 176.9304 108 T 4.7673 8.0346 117.8349 63.4246 73.9090 176.7768 109 G 3.8280 8.5380 112.1090 46.0698 0.0000 176.6110 110 E 3.9622 8.8757 125.1415 58.7215 28.9583 177.8236 111 A 3.9611 8.0583 120.5513 55.2365 18.3515 179.1272 112 L 3.8573 7.9831 118.3218 58.5010 42.1236 179.2488 113 K 3.8763 8.0537 118.1888 59.5045 31.7923 178.9311 114 D 4.4007 8.0873 118.8882 57.1486 40.7998 178.2778 115 A 3.9801 7.5452 120.0602 55.3727 18.6053 179.5068 116 V 3.6779 8.0221 116.2666 66.2304 31.4222 178.1654 117 A 4.0509 7.4200 117.6855 55.2103 18.3153 179.4219 118 R 4.0109 8.2311 114.9752 57.0619 30.5945 176.6568 119 A 4.6880 7.0494 121.6338 50.8064 20.7109 176.7907 120 D 4.6223 8.8394 121.6553 56.5769 41.8759 177.5699 121 V 4.4797 7.6143 116.9979 60.9928 35.4688 174.0969 122 V 4.7936 8.7886 127.4214 61.1894 33.9065 174.0391 123 L 5.0634 9.2191 128.3465 53.0941 44.3536 174.9864 124 D 4.7863 8.6627 124.8990 53.2237 42.2203 175.9390 125 C 5.4505 8.8705 124.9184 59.7805 29.9209 175.6380 126 T 4.2398 8.1225 111.6099 59.2705 67.0281 171.1948 127 D 4.1934 8.1611 126.3654 56.5016 40.8203 176.0631 128 N 4.5976 8.3288 125.9271 52.2130 41.2325 174.3203 129 M 3.8361 8.2764 126.5344 58.8941 31.5446 177.7613 130 A 3.9722 7.9704 119.9511 55.4437 18.5519 179.7425 131 T 3.7800 7.9513 113.6418 66.8206 68.5359 176.6044 132 R 3.9029 7.4535 120.8385 58.8003 30.0552 178.8821 133 Q 3.9178 7.7730 117.3985 59.0324 28.1450 178.9482 134 E 3.8976 7.7696 119.2585 59.3337 29.7283 178.7248 135 I 3.6888 8.2788 120.2242 64.3793 37.1468 177.6741 136 N 4.1641 8.9297 118.6097 56.7444 38.7886 176.4137 137 A 3.8933 8.1341 121.7202 55.2757 18.3346 179.3215 138 A 3.8959 8.1368 118.9499 55.5736 18.4501 179.3412 139 C 4.0184 8.4125 115.2718 63.1251 28.2870 176.8526 140 V 2.9832 8.0895 119.4831 65.8560 30.8565 177.8843 141 A 4.0541 7.8483 119.0662 54.6607 18.2322 178.5751 142 L 4.4223 8.0599 114.7871 53.3440 43.0009 176.5405 143 N 4.5389 8.0773 115.5968 55.2100 36.5090 174.7238 144 T 4.7006 8.5400 112.7041 60.8736 71.9153 174.2962 145 P 4.4724 0.0000 0.0000 63.3792 32.7704 174.8120 146 L 5.1301 9.4201 125.5216 53.4514 45.6435 175.2094 147 I 5.0591 8.7388 126.7898 59.7633 39.2623 174.8713 148 T 4.7209 8.3741 117.3935 60.9580 71.1177 173.7607 149 A 4.9158 7.5978 119.9258 51.4637 23.0039 175.7453 150 S 5.0204 8.2425 116.5043 56.7262 67.5593 172.8222 151 A 4.8432 7.9376 116.6311 51.9970 21.5852 176.6440 152 V 4.3865 8.3608 116.5389 60.5806 37.2485 175.8569 153 G 4.0606 9.1362 114.9235 47.1287 0.0000 174.6294 154 F 4.5278 9.4532 123.5633 56.7968 40.7265 174.3323 155 G 4.3812 8.5845 107.6436 44.5849 0.0000 173.0924 156 G 4.7610 8.5743 107.3135 44.8366 0.0000 171.2341 157 Q 5.4155 8.4800 117.8525 52.8141 34.1234 173.9998 158 L 5.0646 8.2675 117.9920 55.1354 45.1173 172.5232 159 M 5.2178 8.4892 121.8193 54.0660 35.2032 173.4721 160 V 4.6085 8.5307 121.0481 61.3330 34.0934 173.9933 161 L 5.1658 9.3274 128.5326 53.2062 44.5804 175.7068 162 T 4.2792 7.6612 112.8863 59.9429 71.9899 175.0676 163 P 3.1414 0.0000 0.0000 64.6582 31.4003 175.7547 164 P 4.1777 0.0000 0.0000 63.0173 31.5117 176.8676 165 W 3.7784 7.8092 116.7248 57.3036 27.1286 175.4189 166 E 4.2182 7.6490 116.3698 59.7839 29.8559 178.1991 167 Q 4.5813 7.8703 123.9713 56.2142 28.9438 174.1394 168 G 4.1251 8.5082 115.9508 46.3199 0.0000 170.6213 169 C 4.8850 8.1951 114.6913 56.6880 33.1643 174.1013 170 Y 4.2066 9.4323 120.2427 60.7857 38.3028 177.9097 171 R 5.0192 7.8330 116.1698 57.6820 30.6544 177.3638 172 C 4.2673 7.7364 115.4794 62.3342 28.3640 174.9141 173 L 3.9410 7.7675 119.9695 56.6313 42.1601 176.3954 174 W 4.7055 8.0930 118.2087 54.4179 31.6028 173.8823 175 P 4.3558 0.0000 0.0000 63.7434 31.4518 176.1599 176 D 4.9660 7.9689 116.8043 51.8446 42.9183 175.3467 177 N 4.3355 8.0293 122.2285 53.7590 39.0678 174.3754 *187 A 4.1284 8.1951 119.2934 52.1355 19.9792 177.1760 188 G 4.0144 7.7770 110.2385 46.5680 0.0000 173.3506 189 V 4.6256 7.6359 116.0699 61.8051 34.4820 173.4571 190 V 3.6281 8.5544 128.1254 62.2167 32.1806 176.6482 191 G 3.6718 8.5172 113.7623 47.6860 0.0000 174.2309 192 P 4.3690 0.0000 0.0000 64.5577 31.1372 178.8904 193 V 3.7670 7.6271 117.1030 65.7638 31.4522 178.0294 194 V 3.7515 7.5978 116.9627 65.7362 31.3628 177.8347 195 G 3.7145 8.1159 105.6010 48.0391 0.0000 175.3401 196 V 3.6437 8.1546 121.1166 65.9695 31.2383 178.3126 197 M 4.2839 7.6709 117.2379 58.2210 32.0578 178.7961 198 G 3.7261 8.4412 106.1591 48.2401 0.0000 175.8219 199 T 3.8651 8.4431 119.1176 66.4333 68.4697 176.6610 200 L 4.0010 8.0784 120.5708 57.6294 41.4374 179.5229 201 Q 4.0490 8.2878 118.2113 58.4428 28.4806 178.5522 202 A 3.9486 7.7632 121.5812 55.1291 18.6518 178.8882 203 L 3.7991 7.7558 118.8602 58.7495 41.9406 179.2290 204 E 3.9621 8.1779 117.8414 59.0907 29.3613 179.2696 205 A 3.9387 7.8081 120.8925 55.1514 18.4277 179.4260 206 I 3.5818 7.8445 118.4870 64.8019 37.2707 178.7323 207 K 3.9067 8.0306 118.9080 59.3873 31.6187 179.2353 208 L 3.9550 7.8265 119.8672 58.0261 42.1379 178.8087 209 L 4.1783 8.4582 119.5687 57.6480 41.3981 178.8346 210 S 4.5683 8.1020 111.0978 58.0447 62.9399 174.3004 211 G 3.8833 7.5125 109.0264 46.8442 0.0000 174.2114 212 I 3.9868 7.9892 120.6626 60.0934 37.8014 175.7309 213 E 4.2388 8.5574 122.8768 56.1408 30.0647 176.2139 214 T 4.6730 8.0143 119.2437 60.8020 72.7416 171.9921 215 P 4.3116 0.0000 0.0000 62.8646 31.9277 175.8054 216 A 4.6554 8.1095 123.7872 51.6938 22.3009 175.5415 217 G 3.9738 9.1853 106.4995 45.8939 0.0000 172.8886 218 E 4.9185 7.9206 117.2560 54.1392 33.5541 175.5042 219 L 4.4451 8.9751 127.3144 54.1144 42.6619 175.3652 220 R 4.9313 8.9239 126.6017 55.8222 31.6087 175.7760 221 L 5.1447 9.1163 123.2671 52.9465 45.3103 175.3574 222 F 4.7412 9.1147 125.1992 56.3026 42.9492 173.9657 223 D 4.0499 7.0555 122.2136 52.3732 43.0806 175.8160 224 G 3.3320 8.7707 114.1961 47.6924 0.0000 173.3683 225 K 4.0661 8.0500 121.6218 58.9179 32.5451 177.9942 226 S 4.1756 8.8627 112.2661 59.0056 63.4345 173.9195 227 S 3.9523 8.0819 116.2691 60.0311 59.7983 170.1434 228 Q 4.9149 7.6411 116.6606 53.9850 33.0058 174.8884 229 W 5.1993 9.0722 121.1964 55.3685 31.9611 175.1726 230 R 4.9684 8.8603 122.1727 55.2732 34.1036 174.2675 231 S 5.7375 8.1939 111.0485 59.1206 66.7881 175.4051 232 L 4.8761 8.4123 123.8852 52.6753 44.5458 175.4491 233 A 4.4496 8.5746 125.1945 51.8371 19.0981 176.9191 234 L 4.4679 8.2662 123.0333 53.8735 42.8613 176.5854 235 R 4.6648 8.4395 122.1566 54.1585 33.0599 174.7809 236 R 4.1899 8.4332 119.9152 54.9631 30.5685 175.9348 237 A 3.9754 8.5188 125.8175 51.4492 18.2249 176.6557 238 S 3.9946 8.5465 118.5950 62.1977 62.6304 174.8700 239 G 3.8661 8.7559 117.2385 46.1902 0.0000 170.7699 240 C 4.6398 7.4614 118.8942 56.9098 33.7170 172.4488 241 P 4.3746 0.0000 0.0000 64.9070 31.2216 176.5314 242 V 4.2177 7.3126 113.0613 63.2256 32.8672 176.9650 243 C 4.0995 7.9188 114.5819 59.1366 30.2265 173.5811 244 G 3.7293 7.9684 113.5216 45.7418 0.0000 173.2191 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 M 8.53 4.63 0.00 1.51 2.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 2 N 7.80 4.68 0.00 2.79 2.80 0.00 0.00 6.25 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 3 D 8.78 4.58 0.00 2.80 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.73 3.84 0.00 1.84 1.93 0.00 3.17 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 5 D 7.73 4.03 0.00 2.45 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 6 F 7.75 4.65 0.00 3.17 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 M 7.93 4.25 0.00 1.95 2.31 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.72 0.00 8 R 7.70 3.72 0.00 1.44 1.28 0.00 2.57 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.38 0.00 9 Y 7.63 4.86 0.00 3.16 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.74 4.23 0.00 4.03 4.41 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 11 R 8.07 4.13 0.00 1.83 2.07 0.00 3.26 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 12 Q 7.83 4.43 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 13 I 8.16 3.73 2.07 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.80 0.92 0.00 0.00 14 L 7.78 4.15 0.00 1.65 1.73 0.93 1.02 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 15 L 7.62 4.29 0.00 1.81 1.58 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.96 4.38 0.00 2.65 2.74 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 17 D 8.06 4.46 0.00 2.65 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 18 I 7.11 4.01 2.06 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.19 0.89 0.00 0.00 19 A 8.23 4.81 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.33 4.08 0.00 1.78 1.70 1.09 1.22 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 21 D 8.20 4.42 0.00 2.72 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 22 G 8.26 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 0.00 0.00 0.00 23 Q 8.42 3.98 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.30 0.00 24 Q 7.98 3.94 0.00 2.38 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 25 K 8.26 3.96 0.00 1.94 1.82 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.63 7.81 26 L 8.39 3.84 0.00 1.65 1.78 0.84 0.51 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 27 L 7.68 4.11 0.00 1.75 1.69 0.93 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.36 5.07 0.00 2.47 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 29 S 7.50 5.04 0.00 3.98 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 30 Q 10.27 5.03 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 31 V 9.25 4.75 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 0.97 0.00 0.00 0.93 0.00 0.00 32 L 8.65 4.72 0.00 1.84 1.54 0.97 0.93 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 33 I 8.60 4.65 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.97 0.96 0.00 0.00 34 I 8.67 4.13 1.86 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 1.16 0.60 0.90 0.00 0.00 35 G 9.68 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 0.00 0.00 0.00 36 L 8.85 5.03 0.00 1.76 1.71 1.01 nan 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 37 G 7.28 4.41 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 0.00 0.00 0.00 38 G 8.82 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 0.00 0.00 0.00 39 L 7.91 4.36 0.00 1.71 1.81 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.91 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 41 T 7.83 3.70 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 0.99 0.00 0.00 42 P 0.00 4.28 0.00 2.41 2.35 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.14 0.00 43 A 8.00 4.07 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 44 A 8.10 3.93 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 45 L 7.64 3.81 0.00 1.59 1.35 0.76 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 7.97 4.08 0.00 3.15 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.13 4.11 0.00 1.80 1.73 0.94 0.82 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 48 A 8.24 4.08 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 49 G 7.80 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.93 4.26 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 51 G 8.49 3.50 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 0.00 52 V 7.73 3.83 2.08 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 0.78 0.00 0.00 0.93 0.00 0.00 53 G 9.00 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 0.00 0.00 0.00 0.00 54 T 8.50 5.13 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 55 L 8.86 4.90 0.00 1.58 1.58 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.69 4.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.94 0.00 0.00 57 L 9.16 4.73 0.00 1.62 1.64 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.27 5.15 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 59 D 8.98 4.41 0.00 2.71 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.14 4.98 0.00 2.81 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 61 D 7.49 4.54 0.00 2.72 2.61 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 0.00 0.00 0.00 0.00 62 D 8.55 5.12 0.00 2.42 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 63 V 7.97 3.43 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 0.88 0.00 0.00 -0.17 0.00 0.00 64 H 8.49 5.08 0.00 3.13 3.17 0.00 5.68 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.63 4.24 0.00 1.73 1.68 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.52 4.40 0.00 4.04 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.15 4.90 0.00 3.01 3.16 0.00 0.00 7.05 6.70 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 68 L 8.16 4.16 0.00 1.75 1.74 0.95 0.99 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 69 Q 8.06 4.62 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 70 R 7.80 4.62 0.00 1.87 1.99 0.00 2.99 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 1.51 1.65 0.00 71 Q 7.69 4.41 0.00 2.18 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 72 I 7.85 3.57 1.76 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.71 0.87 0.00 0.00 73 L 7.48 3.87 0.00 1.20 0.87 0.84 0.59 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 74 F 7.11 4.98 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 75 T 8.34 4.80 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 76 T 8.56 3.89 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 77 E 7.45 4.09 0.00 2.12 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 0.00 2.35 2.34 0.00 78 D 7.76 4.60 0.00 2.83 2.56 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 79 I 7.32 4.03 1.84 0.00 0.00 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 1.28 0.56 0.94 0.00 0.00 80 D 9.03 4.86 0.00 2.71 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 81 R 7.44 4.32 0.00 1.92 1.98 0.00 2.75 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 82 P 0.00 4.68 0.00 2.13 1.99 0.00 3.54 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.26 0.00 83 K 8.67 3.45 0.00 1.79 2.06 0.00 1.72 0.00 0.00 1.96 0.00 0.00 3.07 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.74 1.25 7.81 84 S 8.17 4.11 0.00 4.13 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 7.96 4.11 0.00 2.31 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 86 V 7.91 3.68 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 1.23 0.00 0.00 0.85 0.00 0.00 87 S 8.71 4.22 0.00 4.12 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 7.82 4.00 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 89 Q 8.04 3.89 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 90 R 8.09 3.94 0.00 1.89 1.97 0.00 3.37 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.11 0.00 91 L 8.41 3.99 0.00 1.71 1.71 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 92 T 7.71 3.88 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 1.21 0.00 0.00 93 Q 7.70 4.12 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 94 L 7.35 4.32 0.00 1.56 1.88 0.87 0.87 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 95 N 8.27 4.80 0.00 2.75 2.66 0.00 0.00 7.34 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 96 P 0.00 4.37 0.00 2.07 2.08 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.23 0.00 97 D 7.53 4.81 0.00 2.81 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 98 I 7.23 4.75 2.03 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 1.49 0.68 1.12 0.00 0.00 99 Q 8.64 4.10 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 100 L 8.57 5.13 0.00 1.54 1.60 0.92 0.94 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 0.00 101 T 8.57 4.43 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 0.00 102 A 8.62 4.99 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 0.00 103 L 8.94 4.33 0.00 1.55 1.63 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 104 Q 8.61 4.75 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.18 0.00 105 Q 7.59 4.88 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.66 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 106 R 8.46 4.43 0.00 1.83 1.89 0.00 3.24 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 107 L 8.41 4.04 0.00 1.67 1.60 0.92 0.87 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 0.00 108 T 8.03 4.77 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 109 G 8.54 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 0.00 0.00 0.00 110 E 8.88 3.96 0.00 1.99 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 0.00 2.40 2.32 0.00 111 A 8.06 3.96 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 0.00 112 L 7.98 3.86 0.00 1.85 1.87 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.05 3.88 0.00 1.99 1.88 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.69 7.81 114 D 8.09 4.40 0.00 2.89 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 0.00 115 A 7.55 3.98 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 0.00 116 V 8.02 3.68 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 1.04 0.00 0.00 1.00 0.00 0.00 117 A 7.42 4.05 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 0.00 118 R 8.23 4.01 0.00 1.94 2.01 0.00 3.16 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 119 A 7.05 4.69 1.31 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 0.00 0.00 0.00 120 D 8.84 4.62 0.00 2.70 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 0.00 121 V 7.61 4.48 2.08 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 0.99 0.00 0.00 0.92 0.00 0.00 122 V 8.79 4.79 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 0.92 0.00 0.00 0.97 0.00 0.00 123 L 9.22 5.06 0.00 1.70 1.56 0.94 1.09 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 0.00 124 D 8.66 4.79 0.00 2.70 2.49 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 0.00 125 C 8.87 5.45 0.00 3.19 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 0.00 126 T 8.12 4.24 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 1.22 0.00 0.00 127 D 8.16 4.19 0.00 2.68 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 0.00 128 N 8.33 4.60 0.00 2.78 2.79 0.00 0.00 6.71 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 0.00 129 M 8.28 3.84 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.37 0.00 130 A 7.97 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 7.95 3.78 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 1.17 0.00 0.00 132 R 7.45 3.90 0.00 1.65 1.23 0.00 2.82 0.00 0.00 2.71 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 133 Q 7.77 3.92 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.83 0.00 0.00 0.00 0.00 0.00 2.70 2.78 0.00 134 E 7.77 3.90 0.00 2.05 2.08 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 2.29 2.33 0.00 135 I 8.28 3.69 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 1.37 0.68 0.88 0.00 0.00 136 N 8.93 4.16 0.00 2.79 3.06 0.00 0.00 7.10 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 0.00 137 A 8.13 3.89 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 0.00 138 A 8.14 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 0.00 139 C 8.41 4.02 0.00 3.19 3.34 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 0.00 140 V 8.09 2.98 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 0.20 0.00 0.00 0.20 0.00 0.00 141 A 7.85 4.05 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 0.00 142 L 8.06 4.42 0.00 1.73 1.75 0.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 143 N 8.08 4.54 0.00 2.93 2.90 0.00 0.00 6.67 7.63 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 0.00 144 T 8.54 4.70 4.34 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 1.37 0.00 0.00 145 P 0.00 4.47 0.00 2.06 1.97 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 146 L 9.42 5.13 0.00 1.83 1.68 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 147 I 8.74 5.06 1.89 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 1.31 1.10 0.93 0.00 0.00 148 T 8.37 4.72 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 149 A 7.60 4.92 1.30 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 0.00 0.00 0.00 150 S 8.24 5.02 0.00 3.84 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 0.00 151 A 7.94 4.84 1.20 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 0.00 152 V 8.36 4.39 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.95 0.00 0.00 153 G 9.14 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 F 9.45 4.53 0.00 2.83 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 G 8.58 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 G 8.57 4.76 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 0.00 157 Q 8.48 5.42 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.20 0.00 158 L 8.27 5.06 0.00 1.82 1.60 1.04 0.77 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 0.00 159 M 8.49 5.22 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 160 V 8.53 4.61 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 1.00 0.00 0.00 0.95 0.00 0.00 161 L 9.33 5.17 0.00 1.95 2.16 1.16 0.61 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 0.00 162 T 7.66 4.28 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 1.12 0.00 0.00 163 P 0.00 3.14 0.00 1.79 1.96 0.00 3.30 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.11 0.00 164 P 0.00 4.18 0.00 2.08 2.01 0.00 3.49 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 165 W 7.81 3.78 0.00 3.41 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 E 7.65 4.22 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 167 Q 7.87 4.58 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 168 G 8.51 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 C 8.20 4.89 0.00 2.71 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 0.00 170 Y 9.43 4.21 0.00 3.07 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 R 7.83 5.02 0.00 1.84 1.99 0.00 3.34 0.00 0.00 3.89 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.64 0.00 172 C 7.74 4.27 0.00 3.21 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 L 7.77 3.94 0.00 1.56 1.73 0.80 1.05 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 0.00 174 W 8.09 4.71 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 0.00 175 P 0.00 4.36 0.00 2.03 2.09 0.00 3.53 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.00 0.00 176 D 7.97 4.97 0.00 2.70 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 0.00 177 N 8.03 4.34 0.00 2.83 2.79 0.00 0.00 6.94 7.23 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 *187 A 8.20 4.13 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 0.00 188 G 7.78 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 0.00 189 V 7.64 4.63 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.92 0.00 0.00 190 V 8.55 3.63 1.64 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 0.51 0.00 0.00 -0.44 0.00 0.00 191 G 8.52 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 P 0.00 4.37 0.00 2.17 2.15 0.00 3.52 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 193 V 7.63 3.77 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 1.11 0.00 0.00 0.90 0.00 0.00 194 V 7.60 3.75 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.04 0.00 0.00 195 G 8.12 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 V 8.15 3.64 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 0.99 0.00 0.00 1.01 0.00 0.00 197 M 7.67 4.28 0.00 2.05 2.40 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.87 0.00 198 G 8.44 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 T 8.44 3.87 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 200 L 8.08 4.00 0.00 1.97 1.69 0.95 0.42 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 0.00 201 Q 8.29 4.05 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 202 A 7.76 3.95 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 0.00 203 L 7.76 3.80 0.00 1.67 1.81 0.85 0.91 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 0.00 204 E 8.18 3.96 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 205 A 7.81 3.94 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 0.00 206 I 7.84 3.58 1.99 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 1.52 0.82 0.89 0.00 0.00 207 K 8.03 3.91 0.00 1.91 1.83 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.58 7.81 208 L 7.83 3.96 0.00 1.87 1.81 0.88 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 209 L 8.46 4.18 0.00 1.77 1.67 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 210 S 8.10 4.57 0.00 3.98 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 G 7.51 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 I 7.99 3.99 1.94 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 1.33 0.55 0.88 0.00 0.00 213 E 8.56 4.24 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 214 T 8.01 4.67 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 1.24 0.00 0.00 215 P 0.00 4.31 0.00 2.01 2.10 0.00 3.59 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 216 A 8.11 4.66 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 G 9.19 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 0.00 218 E 7.92 4.92 0.00 1.84 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 2.23 2.30 0.00 219 L 8.98 4.45 0.00 1.86 1.66 1.06 1.09 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 0.00 220 R 8.92 4.93 0.00 2.04 2.12 0.00 3.04 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 221 L 9.12 5.14 0.00 1.66 1.58 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 222 F 9.11 4.74 0.00 1.51 2.38 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 0.00 223 D 7.06 4.05 0.00 2.47 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 0.00 0.00 0.00 224 G 8.77 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 0.00 0.00 0.00 225 K 8.05 4.07 0.00 1.21 1.68 0.00 1.53 0.00 0.00 1.46 0.00 0.00 2.30 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.12 0.81 7.81 226 S 8.86 4.18 0.00 3.92 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 S 8.08 3.95 0.00 4.08 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 0.00 228 Q 7.64 4.91 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.35 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 229 W 9.07 5.20 0.00 3.18 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 0.00 230 R 8.86 4.97 0.00 1.77 1.91 0.00 3.18 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 231 S 8.19 5.74 0.00 3.76 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 0.00 232 L 8.41 4.88 0.00 1.61 1.56 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 233 A 8.57 4.45 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 L 8.27 4.47 0.00 1.67 1.66 1.02 1.34 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 0.00 235 R 8.44 4.66 0.00 1.72 1.75 0.00 3.38 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 236 R 8.43 4.19 0.00 2.00 2.18 0.00 3.13 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 237 A 8.52 3.98 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 0.00 238 S 8.55 3.99 0.00 3.99 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 0.00 239 G 8.76 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 C 7.46 4.64 0.00 3.06 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 241 P 0.00 4.37 0.00 2.07 2.12 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 242 V 7.31 4.22 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 0.70 0.00 0.00 0.77 0.00 0.00 243 C 7.92 4.10 0.00 2.95 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 G 7.97 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.