NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2905 7.8827 121.4465 61.1727 38.7927 173.8080 17 V 4.2607 8.5537 125.3867 61.5865 33.1861 174.2112 18 G 3.6848 9.0071 114.4130 46.5907 0.0000 172.9492 19 G 4.5080 7.8562 108.7104 44.5071 0.0000 172.3428 20 Y 5.1112 7.8969 117.2853 55.1543 42.2996 174.7011 21 T 4.3702 8.5637 116.6264 63.6894 68.6119 175.7717 22 C 4.3405 8.6504 125.1997 61.3172 40.0391 173.5904 23 G 4.2305 8.3026 105.1730 43.0025 0.0000 172.9936 24 A 4.3150 8.5475 125.0233 53.5823 18.8651 177.4971 25 N 4.1849 8.6900 120.7666 54.4938 36.3191 175.1635 26 T 4.2732 7.4286 105.6056 62.2094 70.4116 175.2638 27 V 4.0575 7.0176 122.4400 60.1537 31.2700 173.7634 28 P 4.4995 0.0000 0.0000 64.1833 32.0880 178.2090 29 Y 5.0772 6.9816 115.4275 56.5405 38.7176 174.5989 30 Q 4.6709 7.4181 123.4309 56.1816 29.8746 175.1963 31 V 4.8488 8.9162 125.4339 61.1484 35.4023 173.8054 32 S 5.1593 8.8026 120.0199 56.4804 65.2367 172.4418 33 L 4.7821 8.5866 127.5523 53.1603 43.5102 174.9899 34 N 6.0073 9.1687 122.6060 49.9415 42.1459 174.8191 *37 S 4.4397 8.3586 120.1554 58.3671 64.0660 174.3937 38 G 3.9618 9.2570 108.2666 46.2069 0.0000 172.5586 39 Y 4.5153 6.4337 115.1590 56.2185 40.0419 172.6409 40 H 4.6897 8.8449 121.5297 56.1732 30.3559 174.7492 41 F 5.0670 7.8331 119.3164 56.5992 39.4905 173.6293 42 C 4.7183 6.8447 115.1730 56.2818 44.6978 173.0139 43 G 4.3859 8.6147 109.0721 45.3241 0.0000 172.1537 44 G 4.3962 8.2441 105.3092 46.2975 0.0000 172.4641 45 S 5.4973 8.7595 115.1005 56.4976 67.0055 173.5574 46 L 4.8406 8.9667 126.7887 54.5406 42.5493 177.0799 47 I 4.4367 8.6073 119.7036 61.3031 38.7746 174.5461 48 N 4.6246 7.6699 117.2054 51.9465 39.4161 175.1169 49 S 4.1886 8.6106 112.4096 60.7914 62.9660 175.6051 50 Q 4.4241 8.1884 117.6400 55.2664 30.1602 174.6154 51 W 5.5763 8.0319 117.3617 54.7800 33.5375 174.4400 52 V 5.1220 9.1024 122.3616 61.0905 34.8520 174.4620 53 V 4.9672 8.8249 125.7099 60.4934 34.0216 174.8509 54 S 4.9413 9.0482 116.6606 57.7692 66.0839 172.1372 55 A 4.5852 8.5493 120.5068 50.9252 20.1494 178.6522 56 A 3.8756 8.2658 124.1427 55.1387 18.5229 179.2006 57 H 4.5464 8.2988 109.6391 57.3542 28.6715 175.3371 58 C 4.7160 7.8052 117.1477 57.0624 40.5505 173.2811 59 Y 4.3095 7.7133 122.2582 57.9915 38.6968 175.4326 60 K 3.8818 7.3898 124.1499 55.1597 36.2428 174.7997 61 S 4.4354 8.0059 115.0046 57.8237 64.4097 173.6231 62 G 3.5915 8.6062 111.9756 46.1784 0.0000 173.2314 63 I 4.5001 7.2620 118.5056 59.4809 40.3404 176.1255 64 Q 4.8028 8.7661 127.0407 54.2413 31.9313 174.0888 65 V 4.4443 8.9644 126.6850 61.6236 33.7722 174.5965 66 R 5.2374 8.9871 126.8031 54.6969 32.8608 174.9632 67 L 4.7547 9.0301 124.5880 52.6965 44.7861 177.0170 *69 G 3.8721 8.1772 105.2606 46.4284 0.0000 172.8750 70 E 4.7657 8.4968 118.5301 54.9711 31.0748 174.4184 71 D 4.7403 7.9865 116.8001 55.2706 43.4664 174.3678 72 N 4.9506 8.1748 118.7980 53.1658 39.5087 175.6527 73 I 4.0502 8.5588 119.5981 61.7781 37.8888 176.0891 74 N 4.7992 8.8131 118.0088 53.0484 39.2248 174.6312 75 V 4.2651 7.4126 117.7555 60.7342 34.1853 175.0207 76 V 4.0377 8.5013 127.1200 62.9821 30.7325 175.1178 77 E 4.3356 9.2648 127.2725 56.0925 29.7761 177.2608 78 G 4.0375 8.2129 107.7793 45.2298 0.0000 174.3671 79 N 4.8782 8.1521 115.3691 53.1129 39.8400 174.5118 80 E 5.2208 7.8058 118.0620 55.1835 31.3392 175.8969 81 Q 4.2917 8.3404 119.5562 54.3343 32.9414 173.9182 82 F 5.5359 8.8081 123.0479 56.0049 40.9946 175.1028 83 I 4.6835 8.8939 125.0489 59.4491 40.7874 175.8163 84 S 4.6989 8.6686 121.6457 58.1498 64.4826 172.9961 85 A 4.7521 8.2571 124.0746 51.5663 19.0300 177.7028 86 S 4.5917 8.8539 115.9260 59.6539 64.6063 174.3582 87 K 4.5611 7.3796 116.8196 56.1195 35.2546 174.4882 88 S 5.2902 8.7768 116.6776 56.9853 66.7051 173.9158 89 I 4.5768 9.0395 123.9124 59.6429 40.1417 174.8212 90 V 4.2497 8.3993 127.2195 61.7822 32.8420 175.3282 91 H 3.5607 8.6177 126.5493 55.4950 30.0958 174.4482 92 P 4.2542 0.0000 0.0000 65.5336 30.9714 177.0605 93 S 4.6954 7.8339 112.4104 58.0450 63.4198 173.1786 94 Y 4.3209 8.0298 123.3146 57.5771 39.0086 174.3511 95 N 4.5436 8.0537 125.7930 51.3700 39.6941 175.1432 96 S 3.8136 7.7581 120.4231 59.8175 63.5795 175.4440 97 N 4.3709 8.3880 119.4415 55.6927 38.4414 176.1336 98 T 4.0021 7.7302 105.2591 60.8214 69.9491 174.9814 99 L 3.7606 7.9011 121.0242 55.4347 39.7149 173.9018 100 N 4.4889 7.6350 117.8668 54.5962 39.6309 174.5111 101 N 4.7217 8.6764 119.5853 54.1679 35.8442 175.7378 102 D 4.6917 7.9090 117.6746 52.9592 39.6938 174.9593 103 I 4.7989 7.1195 120.9371 59.4421 42.3632 172.8517 104 M 5.4666 9.1013 126.0524 54.2723 36.2525 173.2410 105 L 5.4628 9.1877 123.9658 53.1056 45.2630 175.4420 106 I 5.0005 9.1290 123.4142 59.4677 40.7023 174.2673 107 K 3.8135 8.6791 128.5877 54.3909 33.9240 175.4268 108 L 4.6093 7.9592 126.9350 53.9693 42.2710 177.3973 109 K 4.1434 8.7262 121.6076 58.9632 32.4921 177.6243 110 S 4.6264 7.7218 113.0525 56.2856 66.9137 173.1019 111 A 4.5380 8.2980 123.5559 51.5508 19.1634 177.4528 112 A 4.2326 8.7698 123.0993 51.9605 19.7544 177.5858 113 S 4.6028 8.8155 116.4525 56.9463 63.7126 174.5412 114 L 4.4628 8.5012 125.9250 54.4036 42.5450 176.5644 115 N 4.8473 8.9451 119.2005 52.4895 39.5437 174.8604 116 S 4.2469 8.7798 112.7466 61.8152 63.2999 175.4097 117 R 4.2671 9.0341 118.4738 56.4320 30.7553 175.9703 118 V 4.4031 7.8160 116.3563 60.9232 33.8150 173.7819 119 A 5.1460 8.5372 127.9014 50.5448 23.0989 174.8550 120 S 5.1870 8.6654 113.7950 57.3036 65.3526 173.0675 121 I 4.4650 8.1086 120.5182 59.2383 40.0543 175.3262 122 S 4.4902 8.3242 123.0797 57.8227 63.8766 173.9759 123 L 4.4365 8.0885 123.3541 53.2718 42.5178 175.2294 124 P 4.5214 0.0000 0.0000 62.9947 32.2357 176.2277 125 T 4.1175 8.2350 108.8192 62.6104 69.9653 174.5689 *127 S 4.7907 7.5472 114.4431 58.1154 64.0718 173.4865 128 C 4.4706 8.3189 117.1027 56.1125 40.8768 173.8214 129 A 4.3614 7.9457 124.9658 51.5702 19.4572 177.5311 130 S 4.2436 8.0839 115.0766 57.7397 64.1109 173.8108 *132 A 4.1855 8.1939 124.7770 53.3286 19.3216 176.3724 133 G 4.0619 9.0164 109.0200 45.5818 0.0000 174.7661 134 T 4.0055 7.6240 116.7111 63.8068 69.4734 173.7800 135 Q 4.8436 8.5661 124.5606 55.4011 30.3137 175.6031 136 C 5.2911 9.3376 119.8572 55.0550 45.0348 172.3281 137 L 5.3185 9.0387 122.1732 53.4741 44.3622 175.0184 138 I 5.3027 9.1483 127.0362 58.7329 40.2403 174.7810 139 S 4.9399 8.7266 119.4420 56.3520 66.5904 173.0660 140 G 3.8135 7.5402 108.9528 46.1024 0.0000 172.7411 141 W 4.6713 8.5456 117.1544 56.3134 29.3754 177.1826 142 G 4.1230 8.3114 108.7990 44.1683 0.0000 173.5937 143 N 3.6306 8.1784 117.9751 54.2743 38.9619 174.4124 144 T 5.1781 8.1881 112.4332 60.3791 69.2988 174.0182 145 K 4.6792 7.8459 120.5787 54.8614 35.2205 176.2278 146 S 4.2559 8.6987 116.4487 60.2224 63.6069 174.2677 147 S 4.4408 8.8772 117.9353 59.2152 62.9014 173.1569 148 G 4.1561 7.5091 111.3907 43.4550 0.0000 170.7108 149 T 4.6976 7.9048 116.0371 61.8847 71.9520 174.3226 150 S 4.4750 9.3945 122.1516 57.2860 65.7442 171.9797 151 Y 4.8702 8.7147 125.5852 55.5251 39.3863 174.4252 152 P 4.6591 0.0000 0.0000 62.8136 32.7165 175.4469 153 D 4.8971 8.6729 117.3648 54.7921 42.8625 176.7159 154 V 5.4293 7.7114 110.1128 58.2582 34.7650 175.5345 155 L 3.2452 8.2454 124.8128 55.0400 43.0245 175.9290 156 K 4.8444 8.1905 124.7440 54.7896 35.2836 174.5333 157 C 5.2655 8.4152 120.0761 55.2350 42.4912 172.8587 158 L 4.8763 8.4681 121.7996 53.9655 45.6685 174.1328 159 K 5.2286 8.9421 125.1875 54.8618 34.0018 175.5177 160 A 4.9340 9.1365 125.5760 49.3207 23.1717 173.5242 161 P 5.0514 0.0000 0.0000 61.7505 34.1465 174.9592 162 I 4.3796 8.2013 121.9697 61.2817 38.1537 175.7869 163 L 4.8595 8.6856 127.1104 53.1720 43.6186 176.8886 164 S 4.3888 7.9716 113.7401 58.1424 63.9492 175.3480 165 D 4.4676 8.6632 121.6270 57.3164 40.5289 179.0840 166 S 4.1789 8.1027 114.8614 61.6336 62.9873 176.7141 167 S 4.4184 7.8053 118.7491 60.3953 62.7907 175.6543 168 C 4.3024 8.0325 121.6490 59.6760 43.2681 175.8405 169 K 4.0243 8.4370 119.2492 59.3571 31.8006 179.2835 170 S 4.2785 8.3586 114.5322 61.1703 62.7742 176.4592 171 A 3.9412 7.8229 123.7288 53.5354 19.7674 177.2034 172 Y 4.8552 7.8758 114.7523 55.2969 38.1373 172.6712 173 P 4.5770 0.0000 0.0000 63.5388 32.3829 176.9844 174 G 4.0048 8.9553 109.3068 46.3349 0.0000 173.8609 175 Q 4.5624 8.0857 116.4546 55.3026 30.6880 175.5775 176 I 4.4187 7.8659 119.3509 59.9742 38.5105 175.2662 177 T 4.6070 8.1851 115.1287 59.5164 71.0531 175.1116 178 S 4.3416 8.5471 114.9393 60.3548 63.1744 174.3885 179 N 4.9481 8.1217 118.6632 53.3505 38.4673 173.8332 180 M 5.6132 7.8480 116.9447 53.9503 36.3237 174.3702 181 F 5.0719 8.7377 114.3016 56.1243 42.0175 172.3598 182 C 5.6188 9.0630 116.2290 55.5060 39.0277 172.7977 183 A 5.0168 9.4725 122.4835 50.7649 22.4363 176.2571 184A G 3.6458 6.9252 107.1690 44.7864 0.0000 172.2744 184 Y 4.6121 8.2071 119.4249 55.9899 40.7561 176.4565 185 L 4.1946 8.6305 125.3096 56.9762 41.9775 178.4112 186 E 4.0914 8.2561 115.0761 56.4058 30.2254 177.5757 187 G 3.7604 8.1191 109.0952 44.8786 0.0000 171.0680 188A G 4.2842 9.2109 107.0726 44.7709 0.0000 174.2785 188 K 4.8968 7.1778 117.0285 54.3600 35.3168 175.2845 189 D 4.5717 8.5457 123.0837 54.1546 45.8030 174.9371 190 S 4.9343 8.7573 116.3831 57.8908 65.3958 172.9810 191 C 4.7726 9.0973 119.1451 55.3308 48.0728 172.5550 192 Q 4.5214 8.4494 119.0107 57.6529 28.4587 176.9518 193 G 4.2860 9.2152 108.1636 45.9468 0.0000 174.2152 194 D 4.6981 8.3471 118.3133 55.1383 41.6693 176.5294 195 S 4.3965 8.0206 115.1216 60.1026 63.3134 175.7321 196 G 4.0046 8.8690 112.4053 46.4147 0.0000 173.8095 197 G 4.0312 7.8339 107.4534 45.1931 0.0000 171.4721 198 P 5.1046 0.0000 0.0000 62.5250 33.4362 175.7479 199 V 4.5946 8.4453 120.7176 61.4967 34.5308 174.0108 200 V 4.8174 8.8681 128.9800 61.2573 34.1397 173.7003 201 C 5.1301 8.7588 124.4506 55.8024 44.1458 174.5253 202 S 3.5307 9.9553 119.1351 59.6020 60.1256 173.5560 203 G 3.9541 8.5867 106.6273 45.2687 0.0000 174.0347 204 K 4.8543 7.6159 118.0646 53.2870 35.1664 175.3692 *209 L 4.2590 8.2075 121.9032 55.4864 41.9948 175.9324 210 Q 4.5089 8.9020 126.0635 56.7402 30.8569 175.7541 211 G 5.2657 7.9673 104.5071 45.9046 0.0000 171.4306 212 I 5.1129 8.2024 119.1824 58.9154 41.2799 175.3876 213 V 3.7118 8.9857 127.4098 63.9979 31.8001 174.2068 214 S 4.8249 8.4425 120.7203 58.6790 64.3416 174.2116 215 W 4.9232 7.2989 114.2804 56.4620 31.7803 172.2049 216 G 3.9855 8.3199 106.4403 46.8171 0.0000 172.7612 217 S 4.6931 8.4291 114.8620 56.5221 62.6999 172.7972 *219 G 4.1727 8.0206 117.7347 45.7072 0.0000 170.9687 220 C 4.9733 8.0882 114.6805 56.4783 42.8375 173.8034 221A A 4.1346 9.0063 124.9699 53.1844 16.5934 177.1689 221 Q 4.5798 7.3183 116.9908 56.2207 29.8739 175.8922 222 K 4.1338 8.4100 121.7150 57.8525 32.7568 176.1442 223 N 4.2584 9.3512 121.6055 54.0890 37.0607 175.3684 224 K 4.3210 7.5164 116.5820 53.8015 32.2664 173.4474 225 P 4.6141 0.0000 0.0000 62.1802 33.2245 177.2261 226 G 3.7507 8.5352 107.0615 45.7769 0.0000 172.9111 227 V 4.3818 7.5023 121.7463 60.6532 33.9859 174.0755 228 Y 5.0057 8.1605 124.8741 55.9947 41.7593 175.1575 229 T 4.4396 8.5072 119.6430 63.6454 70.0614 174.4615 230 K 5.1726 9.3240 128.0766 54.9856 30.7612 177.0091 231 V 3.9551 8.6803 125.0009 65.9829 31.4339 174.7235 232 C 4.3254 8.3265 112.2726 58.1299 41.4915 174.7965 233 N 4.2584 8.1142 117.4327 54.4057 38.5247 175.0991 234 Y 4.8565 7.8428 117.7485 57.6570 38.9660 177.6829 235 V 3.6929 8.0270 122.1515 66.2657 31.4930 178.1899 236 S 4.1154 8.0828 114.4287 61.2530 62.6829 176.2482 237 W 4.1485 8.2775 130.5455 60.4824 30.4542 177.7516 238 I 3.0218 8.2336 119.9507 64.2142 36.6016 178.3948 239 K 3.7094 8.0838 119.3356 59.6019 31.6810 179.2236 240 Q 3.8397 7.9306 118.6178 59.3434 29.1814 178.0517 241 T 3.7337 7.6543 117.3331 66.4115 68.2528 176.8277 242 I 2.6242 7.3586 115.1787 63.4721 37.2154 177.9622 243 A 4.1068 7.6128 120.9896 53.6702 18.1956 178.6198 244 S 4.7042 7.2437 111.5989 58.1836 63.4684 173.9466 245 N 4.6833 7.9829 125.3501 53.6406 39.5498 174.1547 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 16 I 7.88 4.29 1.79 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 0.80 0.90 0.00 0.00 17 V 8.55 4.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.90 0.00 0.00 18 G 9.01 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 0.00 0.00 0.00 19 G 7.86 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 0.00 0.00 0.00 0.00 20 Y 7.90 5.11 0.00 3.01 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.56 4.37 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 22 C 8.65 4.34 0.00 2.89 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 23 G 8.30 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 0.00 0.00 0.00 24 A 8.55 4.31 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 25 N 8.69 4.18 0.00 2.84 2.87 0.00 0.00 7.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.43 4.27 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 1.35 0.00 0.00 27 V 7.02 4.06 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.76 0.00 0.00 28 P 0.00 4.50 0.00 2.38 2.29 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 29 Y 6.98 5.08 0.00 3.24 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.42 4.67 0.00 1.78 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.46 0.00 0.00 0.00 0.00 0.00 1.86 2.44 0.00 31 V 8.92 4.85 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.10 0.00 0.00 32 S 8.80 5.16 0.00 3.01 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 33 L 8.59 4.78 0.00 0.48 1.05 0.82 0.21 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 34 N 9.17 6.01 0.00 2.43 2.37 0.00 0.00 6.54 7.02 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 *37 S 8.36 4.44 0.00 3.71 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 9.26 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 39 Y 6.43 4.52 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.84 4.69 0.00 2.86 3.16 0.00 5.87 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.83 5.07 0.00 3.08 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 42 C 6.84 4.72 0.00 2.19 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 43 G 8.61 4.39 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 0.00 44 G 8.24 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 0.00 0.00 0.00 0.00 45 S 8.76 5.50 0.00 3.84 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.97 4.84 0.00 1.89 1.66 1.10 0.81 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 47 I 8.61 4.44 1.90 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 1.53 0.93 0.96 0.00 0.00 48 N 7.67 4.62 0.00 2.93 2.98 0.00 0.00 6.29 8.13 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 49 S 8.61 4.19 0.00 4.04 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.19 4.42 0.00 2.19 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 51 W 8.03 5.58 0.00 3.19 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 9.10 5.12 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 1.16 0.00 0.00 0.99 0.00 0.00 53 V 8.82 4.97 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 0.78 0.00 0.00 1.05 0.00 0.00 54 S 9.05 4.94 0.00 3.88 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 55 A 8.55 4.59 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 56 A 8.27 3.88 0.29 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 57 H 8.30 4.55 0.00 3.37 3.56 0.00 5.55 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 58 C 7.81 4.72 0.00 3.26 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 59 Y 7.71 4.31 0.00 2.92 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 60 K 7.39 3.88 0.00 1.32 1.22 0.00 0.61 0.00 0.00 0.94 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.91 0.85 7.81 61 S 8.01 4.44 0.00 3.73 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.61 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.26 4.50 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.95 0.96 0.00 0.00 64 Q 8.77 4.80 0.00 2.01 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.84 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 65 V 8.96 4.44 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 0.94 0.00 0.00 0.91 0.00 0.00 66 R 8.99 5.24 0.00 1.68 1.83 0.00 2.67 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.26 0.00 67 L 9.03 4.75 0.00 1.63 1.62 0.95 1.03 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 *69 G 8.18 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 70 E 8.50 4.77 0.00 2.20 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.12 0.00 71 D 7.99 4.74 0.00 2.76 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 72 N 8.17 4.95 0.00 2.84 2.79 0.00 0.00 7.25 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 73 I 8.56 4.05 1.40 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.49 -0.43 0.00 0.00 74 N 8.81 4.80 0.00 2.80 2.86 0.00 0.00 6.60 7.88 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 75 V 7.41 4.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.00 0.00 0.00 76 V 8.50 4.04 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 0.79 0.00 0.00 1.06 0.00 0.00 77 E 9.26 4.34 0.00 2.00 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 2.31 2.47 0.00 78 G 8.21 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 79 N 8.15 4.88 0.00 2.79 2.81 0.00 0.00 7.14 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 80 E 7.81 5.22 0.00 1.27 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.44 0.00 81 Q 8.34 4.29 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 82 F 8.81 5.54 0.00 2.81 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 83 I 8.89 4.68 1.88 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 1.24 0.78 0.95 0.00 0.00 84 S 8.67 4.70 0.00 3.76 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.26 4.75 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 86 S 8.85 4.59 0.00 3.75 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 87 K 7.38 4.56 0.00 1.84 1.89 0.00 1.47 0.00 0.00 1.97 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.23 1.50 7.81 88 S 8.78 5.29 0.00 3.95 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 9.04 4.58 2.05 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 1.24 0.91 1.14 0.00 0.00 90 V 8.40 4.25 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 0.57 0.00 0.00 0.75 0.00 0.00 91 H 8.62 3.56 0.00 2.71 3.02 0.00 5.66 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.25 0.00 2.16 2.18 0.00 2.54 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.87 0.00 93 S 7.83 4.70 0.00 3.93 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 94 Y 8.03 4.32 0.00 2.95 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 95 N 8.05 4.54 0.00 2.60 2.45 0.00 0.00 6.56 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 7.76 3.81 0.00 3.98 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 97 N 8.39 4.37 0.00 2.80 2.79 0.00 0.00 6.82 7.71 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 98 T 7.73 4.00 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 1.10 0.00 0.00 99 L 7.90 3.76 0.00 1.52 1.93 0.95 1.17 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 0.00 100 N 7.63 4.49 0.00 2.75 2.64 0.00 0.00 7.26 6.58 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 0.00 101 N 8.68 4.72 0.00 2.96 2.63 0.00 0.00 7.24 8.30 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 0.00 102 D 7.91 4.69 0.00 3.12 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 0.00 103 I 7.12 4.80 1.51 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 1.37 1.30 0.09 0.00 0.00 104 M 9.10 5.47 0.00 2.26 1.82 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.65 0.00 105 L 9.19 5.46 0.00 1.72 1.80 0.08 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.13 5.00 1.94 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 1.21 0.84 0.90 0.00 0.00 107 K 8.68 3.81 0.00 0.79 1.03 0.00 1.32 0.00 0.00 1.34 0.00 0.00 2.62 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.67 0.21 7.81 108 L 7.96 4.61 0.00 1.50 1.54 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.73 4.14 0.00 1.69 1.83 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.43 7.81 110 S 7.72 4.63 0.00 3.77 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.30 4.54 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 0.00 112 A 8.77 4.23 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 0.00 113 S 8.82 4.60 0.00 3.75 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 0.00 114 L 8.50 4.46 0.00 1.66 1.62 0.96 1.06 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 0.00 115 N 8.95 4.85 0.00 2.86 2.92 0.00 0.00 6.77 7.51 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 0.00 116 S 8.78 4.25 0.00 3.89 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 9.03 4.27 0.00 1.94 1.97 0.00 3.06 0.00 0.00 3.24 7.35 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.55 4.79 0.00 4.00 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 0.00 128 C 8.32 4.47 0.00 2.93 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 0.00 129 A 7.95 4.36 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.08 4.24 0.00 3.85 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *132 A 8.19 4.19 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 0.00 133 G 9.02 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 0.00 134 T 7.62 4.01 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 1.16 0.00 0.00 135 Q 8.57 4.84 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 136 C 9.34 5.29 0.00 2.73 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 9.04 5.32 0.00 1.74 1.55 1.00 1.15 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 0.00 138 I 9.15 5.30 1.87 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 0.75 1.80 0.98 0.00 0.00 139 S 8.73 4.94 0.00 3.51 3.59 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 0.00 0.00 0.00 0.00 140 G 7.54 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 0.00 0.00 0.00 141 W 8.55 4.67 0.00 3.23 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 0.00 142 G 8.31 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 N 8.18 3.63 0.00 2.07 2.56 0.00 0.00 7.26 7.25 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 0.00 144 T 8.19 5.18 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 1.27 0.00 0.00 145 K 7.85 4.68 0.00 1.82 1.69 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.27 1.29 7.81 146 S 8.70 4.26 0.00 3.98 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 0.00 147 S 8.88 4.44 0.00 3.85 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 0.00 148 G 7.51 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 0.00 0.00 0.00 0.00 149 T 7.90 4.70 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 1.46 0.00 0.00 150 S 9.39 4.47 0.00 3.80 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.71 4.87 0.00 2.95 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.66 0.00 2.42 2.09 0.00 4.07 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.01 0.00 153 D 8.67 4.90 0.00 2.68 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 V 7.71 5.43 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 1.05 0.00 0.00 0.98 0.00 0.00 155 L 8.25 3.25 0.00 1.35 1.25 -0.66 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.19 4.84 0.00 1.69 1.49 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.46 7.81 157 C 8.42 5.27 0.00 1.44 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.47 4.88 0.00 1.71 1.43 1.05 0.62 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 0.00 159 K 8.94 5.23 0.00 1.80 1.80 0.00 1.84 0.00 0.00 1.77 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.62 7.81 160 A 9.14 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 P 0.00 5.05 0.00 2.04 2.11 0.00 3.21 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.82 0.00 162 I 8.20 4.38 1.78 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.62 0.82 0.00 0.00 163 L 8.69 4.86 0.00 1.55 1.60 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 164 S 7.97 4.39 0.00 3.99 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 D 8.66 4.47 0.00 2.74 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 0.00 166 S 8.10 4.18 0.00 4.05 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 S 7.81 4.42 0.00 4.09 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 0.00 168 C 8.03 4.30 0.00 3.24 3.39 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 0.00 169 K 8.44 4.02 0.00 1.84 1.91 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.61 7.81 170 S 8.36 4.28 0.00 4.05 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 0.00 171 A 7.82 3.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 7.88 4.86 0.00 3.17 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 P 0.00 4.58 0.00 2.08 2.02 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.24 0.00 174 G 8.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 Q 8.09 4.56 0.00 2.47 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 6.50 0.00 0.00 0.00 0.00 0.00 2.28 2.60 0.00 176 I 7.87 4.42 1.98 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 1.88 1.07 0.99 0.00 0.00 177 T 8.19 4.61 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 178 S 8.55 4.34 0.00 4.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 N 8.12 4.95 0.00 3.05 3.10 0.00 0.00 6.60 9.28 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 0.00 180 M 7.85 5.61 0.00 1.80 1.98 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 181 F 8.74 5.07 0.00 3.06 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 0.00 182 C 9.06 5.62 0.00 2.96 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 0.00 183 A 9.47 5.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184A G 6.93 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 Y 8.21 4.61 0.00 3.12 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 0.00 185 L 8.63 4.19 0.00 1.73 1.88 0.92 0.88 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 0.00 186 E 8.26 4.09 0.00 2.10 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 0.00 2.38 2.28 0.00 187 G 8.12 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 188A G 9.21 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 K 7.18 4.90 0.00 1.65 1.81 0.00 1.08 0.00 0.00 1.38 0.00 0.00 2.32 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.49 1.31 7.81 189 D 8.55 4.57 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 0.00 190 S 8.76 4.93 0.00 3.99 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 0.00 191 C 9.10 4.77 0.00 2.94 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 Q 8.45 4.52 0.00 2.43 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 5.46 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 193 G 9.22 4.29 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 0.00 194 D 8.35 4.70 0.00 3.03 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 S 8.02 4.40 0.00 4.00 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 0.00 196 G 8.87 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 G 7.83 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 P 0.00 5.10 0.00 2.32 2.35 0.00 3.70 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 199 V 8.45 4.59 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.75 0.00 0.00 200 V 8.87 4.82 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.62 0.00 0.00 201 C 8.76 5.13 0.00 2.80 2.85 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 0.00 202 S 9.96 3.53 0.00 3.94 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 0.00 203 G 8.59 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 0.00 0.00 0.00 204 K 7.62 4.85 0.00 1.73 1.64 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.40 7.81 *209 L 8.21 4.26 0.00 1.51 1.64 1.02 0.75 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 0.00 210 Q 8.90 4.51 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.27 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 211 G 7.97 5.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 I 8.20 5.11 1.93 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 1.30 1.04 0.99 0.00 0.00 213 V 8.99 3.71 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 0.93 0.00 0.00 1.22 0.00 0.00 214 S 8.44 4.82 0.00 3.89 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 0.00 215 W 7.30 4.92 0.00 3.36 2.97 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 0.00 216 G 8.32 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 0.00 217 S 8.43 4.69 0.00 4.29 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 *219 G 8.02 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 0.00 220 C 8.09 4.97 0.00 2.94 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221A A 9.01 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 0.00 221 Q 7.32 4.58 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 7.17 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 222 K 8.41 4.13 0.00 1.72 1.71 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.47 7.81 223 N 9.35 4.26 0.00 2.81 2.80 0.00 0.00 6.76 8.26 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 0.00 224 K 7.52 4.32 0.00 1.64 1.86 0.00 1.64 0.00 0.00 1.28 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 225 P 0.00 4.61 0.00 2.12 2.11 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 226 G 8.54 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 0.00 227 V 7.50 4.38 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 -0.89 0.00 0.00 228 Y 8.16 5.01 0.00 1.43 2.31 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 0.00 229 T 8.51 4.44 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 230 K 9.32 5.17 0.00 2.18 1.91 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.61 7.81 231 V 8.68 3.96 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.13 0.00 0.00 232 C 8.33 4.33 0.00 3.16 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 0.00 233 N 8.11 4.26 0.00 2.36 2.36 0.00 0.00 6.94 7.41 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 0.00 234 Y 7.84 4.86 0.00 3.13 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 V 8.03 3.69 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.10 0.00 0.00 236 S 8.08 4.12 0.00 3.98 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 W 8.28 4.15 0.00 3.47 3.59 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 0.00 0.00 0.00 0.00 238 I 8.23 3.02 2.06 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 1.52 1.03 0.74 0.00 0.00 239 K 8.08 3.71 0.00 1.79 1.79 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.57 7.81 240 Q 7.93 3.84 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 241 T 7.65 3.73 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 242 I 7.36 2.62 0.79 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.50 -0.36 0.00 0.00 243 A 7.61 4.11 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 0.00 244 S 7.24 4.70 0.00 3.75 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 0.00 245 N 7.98 4.68 0.00 2.92 2.96 0.00 0.00 6.92 8.75 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 * Residues marked with a * may have inaccurate shift predictions.