NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 S 4.4372 8.3193 116.7932 57.7696 65.3000 174.2481 19 L 4.4318 7.1206 115.9775 54.3141 40.3248 171.9271 20 N 5.3355 8.7640 117.9988 52.5408 42.9447 175.2263 21 L 4.9309 8.7134 125.5739 53.3525 45.2769 175.6576 22 T 4.7279 8.8779 118.4129 61.2529 71.1330 173.0774 23 I 4.8250 8.7289 128.7085 59.4348 39.7435 175.3286 24 G 4.4116 9.0266 114.9000 45.7402 0.0000 172.5742 25 T 5.2849 8.9394 117.6117 59.9983 71.6074 173.1478 26 S 5.4840 8.6797 120.1760 57.9229 64.0141 174.0178 27 K 4.3817 8.7678 118.5365 58.5760 33.4669 177.1178 28 F 4.9046 7.9255 121.0972 58.3552 41.4817 173.8684 29 N 4.4719 8.4805 127.3439 51.6730 40.8798 172.2599 30 P 4.0857 0.0000 0.0000 62.5853 32.2395 175.2443 31 P 4.3341 0.0000 0.0000 62.8730 31.8967 177.9450 32 F 4.0569 7.9267 119.9764 60.3067 38.9486 174.9824 33 E 5.3753 7.4130 115.1047 56.5387 32.7016 174.6523 34 V 4.6880 7.5787 113.8801 59.8349 36.1653 173.3410 35 W 4.6911 9.5380 135.0000 55.5954 31.8726 176.2982 36 S 4.3158 8.1822 123.8419 58.5576 63.3623 174.1909 37 G 3.3644 5.3800 106.5685 44.2785 0.0000 175.6100 38 N 4.6690 8.7887 117.4376 55.4322 38.8224 175.5922 39 N 4.8925 8.0377 115.2436 53.0623 39.0501 174.1605 40 S 4.7263 7.6101 111.6308 56.0204 66.8658 174.3156 41 S 4.3700 8.5866 118.0238 58.4632 63.4394 173.6104 42 L 4.6276 8.1255 121.7684 53.8568 43.6131 175.3080 43 Y 4.7922 7.7383 115.3649 55.6150 41.0510 174.2369 44 G 4.7350 8.8832 107.4527 43.1243 0.0000 174.1448 45 F 3.0826 8.4469 122.5856 61.1048 38.8603 176.9164 46 D 4.1391 7.9408 117.0409 57.2263 40.6341 178.6715 47 I 3.4866 7.3371 118.8356 64.4897 37.4887 177.7141 48 D 4.5374 7.8150 119.5912 57.1080 40.5525 178.5851 49 L 3.5999 7.3319 116.6222 56.1326 41.3954 177.9660 *51 Q 4.2370 7.9060 119.6379 56.0150 30.8001 176.8399 52 E 3.9702 8.1398 118.0490 59.3514 29.6928 178.7561 53 I 3.7433 7.9482 119.9376 64.6108 37.0778 178.2381 54 C 4.1814 8.0077 117.3906 62.6839 28.0268 176.1565 55 R 4.0196 7.8536 117.9129 59.3200 28.8097 179.1321 56 R 4.0660 7.7017 117.6545 58.3837 30.1769 177.9733 57 L 4.1813 7.5438 116.3192 54.4601 41.9520 176.4198 58 H 4.2336 8.0703 114.8001 56.7638 26.6874 174.1178 59 A 5.6535 8.4139 120.1277 49.0213 21.6567 177.3975 60 T 4.0702 8.5065 111.4225 61.8502 70.5347 172.5796 61 C 5.0487 8.5037 123.4892 57.7154 33.7994 172.9496 62 T 4.5733 8.2378 115.5565 59.9658 71.2809 173.0011 63 F 5.1638 8.8775 124.1100 56.1996 41.4269 175.1528 64 E 4.5094 9.6402 122.1270 54.4955 32.4772 174.0776 65 A 5.4422 8.1853 129.2543 51.0941 19.7316 175.6858 66 Y 4.6088 8.2883 118.4369 55.6179 43.2383 174.6915 67 I 4.1128 8.5604 121.4316 61.9397 38.1554 177.3644 68 F 3.7326 9.0393 129.6161 61.4280 39.9866 177.1826 69 D 4.5707 8.3352 118.9062 57.1492 41.3514 176.8364 70 D 4.5724 8.5569 118.2442 55.6156 41.5611 178.3064 71 L 3.3923 7.5366 120.2361 57.3677 41.3310 179.2298 72 F 3.9387 7.1801 117.3078 60.0791 38.9623 175.8544 73 P 4.3246 0.0000 0.0000 65.7170 31.1875 178.0876 74 A 4.4089 7.6667 121.9589 54.2690 18.0953 179.4406 75 L 3.7948 7.7434 118.7281 58.1589 41.9989 179.0696 76 K 4.0565 8.0150 118.3766 59.1635 32.1524 177.4516 77 N 4.6788 8.0891 114.2464 52.2900 37.8428 175.1603 78 R 3.9291 8.0167 118.7832 57.2472 28.6364 178.3600 79 E 4.2270 8.2361 120.2534 58.7428 29.7192 177.4599 80 V 4.7918 6.8884 107.0006 59.5594 35.7260 175.0731 81 D 4.5996 9.0578 122.6649 56.9165 41.4456 176.4699 82 L 4.8389 7.6262 115.8955 53.1756 46.8714 175.4234 83 V 4.8383 8.0749 118.5898 61.3717 35.1019 174.0218 84 I 4.6437 8.5247 127.3143 60.0325 40.2930 175.1517 85 A 5.1978 9.1961 129.7396 54.1333 19.9072 175.7131 86 S 2.7900 8.7989 109.8119 58.2090 63.6311 172.9016 *88 I 4.0050 8.0088 124.1292 60.9509 38.3430 175.3094 89 I 2.7593 8.0935 128.7476 61.2647 37.8095 175.3531 90 T 4.8217 8.0574 116.2712 59.0754 72.0758 174.7644 91 D 4.4035 8.9071 122.6553 57.6376 40.7221 178.5383 92 E 4.1363 8.1814 118.6004 59.6806 29.5374 179.5188 93 R 4.3091 8.0889 117.3985 58.8471 30.0567 178.5234 94 K 5.2496 8.0165 117.5174 57.4343 32.1175 178.4621 95 K 4.1861 7.6291 117.4389 58.0134 32.2919 176.9239 96 H 4.5964 7.9181 112.5487 54.7235 31.1101 172.7429 97 F 5.2175 8.1788 117.4559 55.6363 43.5487 173.5651 98 I 4.8310 8.5346 114.0450 59.3209 39.9127 174.7864 99 F 5.3208 8.7144 121.1523 55.8409 42.5196 175.2399 100 S 4.7395 8.7504 116.3754 57.0788 65.0644 173.7734 101 L 4.1993 8.9452 120.5117 54.0055 41.8016 175.8669 102 P 4.4831 0.0000 0.0000 63.2364 31.8147 175.5905 103 Y 4.6292 8.0414 118.4505 57.0419 38.2359 174.8722 *105 E 4.0465 7.9523 120.0906 56.5274 31.0866 174.7511 106 S 3.9501 8.0192 120.2628 56.5304 65.0966 172.5845 107 N 5.5060 8.6060 121.2245 51.3479 42.9953 173.9151 108 S 4.9989 9.2879 117.6828 57.4084 66.1000 172.6291 109 Q 4.8069 7.7241 119.5715 55.2212 32.4848 172.4872 110 Y 4.6890 8.7890 124.1031 57.6160 39.6147 174.2338 111 I 5.1607 8.9649 123.4596 59.9242 42.3129 173.6689 112 T 5.2296 8.7027 121.3943 61.0397 71.8086 172.5754 113 T 4.6942 8.4879 112.8853 60.9113 69.7235 176.0775 114 V 3.6696 8.3264 118.1833 64.6720 31.6961 176.8273 115 D 4.7233 7.9761 117.1449 53.3766 39.3323 175.6532 116 S 4.6597 7.6872 114.1053 57.3630 63.4474 174.6302 117 K 4.1211 8.5257 125.7412 59.0012 32.2015 177.8850 118 I 3.8467 7.5692 120.8068 61.5276 37.0727 175.8852 119 S 4.6978 8.8807 117.7058 57.3457 64.7409 173.8533 120 T 4.7629 7.9422 110.8194 59.1751 71.6777 174.5678 121 F 3.9890 8.9419 124.7341 61.4554 39.6090 176.8154 122 D 4.4906 7.8522 118.6541 56.7408 40.7544 177.1877 123 D 4.6337 8.1009 117.9127 55.5278 41.4058 177.5903 124 L 4.0601 7.2276 118.5577 54.9517 41.4331 176.1050 125 H 4.3742 7.0937 119.1907 57.3685 30.0058 175.3399 126 G 4.3629 8.5511 114.8892 45.4942 0.0000 173.1032 127 K 4.6033 7.6716 118.7693 55.0314 34.7012 175.6630 128 K 4.6991 9.8086 122.7657 55.5875 33.7351 175.8491 129 I 4.9148 8.9870 126.4549 59.4310 39.9340 175.2719 130 G 4.3872 9.3615 114.7920 45.9433 0.0000 172.7877 131 V 4.9024 8.6211 121.6867 60.8856 36.1018 173.8539 132 R 4.7399 8.7024 126.5711 55.2885 31.0733 175.6251 133 K 4.3951 9.5353 129.8340 58.2385 32.5492 176.3961 134 G 4.4069 9.4128 114.2221 45.7977 0.0000 173.6427 135 T 4.4854 7.6415 109.5214 60.1697 70.4207 173.1725 136 P 4.6630 0.0000 0.0000 63.5041 31.5842 177.3632 137 Y 4.4365 7.4532 119.0869 61.3159 37.6912 178.0260 138 A 4.0244 8.0893 121.4742 55.2091 18.6074 179.4702 139 R 3.9168 8.0594 116.7517 59.5121 29.9653 178.3610 140 Q 4.0142 7.8749 118.6106 59.0590 29.4177 178.0577 141 V 3.8538 8.0633 119.3776 66.2675 31.6060 178.1123 142 L 4.0890 8.0773 118.8958 57.5893 41.2440 179.4266 143 S 4.2425 8.0541 113.0383 60.7681 62.9277 175.8137 144 E 4.1069 8.0235 121.0225 56.6973 30.1893 175.9757 145 N 4.2268 8.0390 116.1482 54.8281 36.8746 174.3203 146 R 4.4592 7.2974 107.7834 57.0533 31.1622 175.1909 147 N 4.3848 7.8781 112.0762 56.0028 37.1296 171.5978 148 N 5.4697 7.5745 114.9582 51.3520 42.7670 175.0502 149 Q 4.6357 8.4006 121.9171 54.3577 31.9608 174.2148 150 V 4.6323 8.3712 125.7347 61.3516 33.6003 174.6617 151 I 4.3471 8.3564 128.5606 59.4395 39.4618 174.6738 152 F 4.8479 8.8071 126.5844 57.1016 39.8985 174.7692 153 Y 4.8203 9.0918 121.4636 56.3940 40.3473 176.9996 154 E 3.9226 9.3577 123.4503 58.3208 29.8913 177.1001 155 L 4.9970 7.6952 117.2996 52.5666 44.4630 177.4666 156 I 3.7982 8.5737 122.5935 64.6166 37.6980 177.7353 157 Q 4.1443 8.4051 119.0744 59.2448 28.8611 178.7921 158 D 4.3593 7.7850 114.0226 54.9496 40.2724 178.1258 *160 L 4.1664 7.9489 121.8730 54.6446 43.7981 179.1493 161 L 3.9896 7.9169 120.1939 57.9263 41.8665 179.1315 162 G 3.6006 8.2095 106.1628 47.6108 0.0000 175.3210 163 L 4.0563 7.6689 122.2606 58.0870 41.9923 178.9971 164 S 4.1509 7.9005 113.5889 61.6820 62.9034 175.8155 165 N 4.5995 8.3230 115.8810 52.6903 38.4161 174.5071 166 N 4.3171 8.0061 117.8215 54.7902 37.9384 175.2961 167 Q 4.2694 8.9273 118.4521 57.3605 29.2486 176.9299 168 V 4.6480 7.3596 108.8328 59.4794 35.4918 175.1125 169 D 4.6539 8.8476 122.0216 57.1994 41.6538 175.8902 170 A 4.6361 7.5518 118.0740 51.4049 22.9612 174.7733 171 S 5.0396 9.1078 112.8652 56.6510 66.1215 172.2967 172 L 4.8267 8.1415 127.7784 52.3176 43.8630 175.4894 *174 D 4.6689 8.4437 123.8930 54.2237 42.5107 175.6160 175 Y 4.1814 9.0721 124.6718 61.2713 38.8768 178.9141 176 E 3.7364 8.4143 118.3004 58.8792 29.5225 179.0670 177 A 4.2264 8.2707 121.9868 54.2927 18.3832 179.3304 178 A 3.9850 8.0510 118.6616 55.3403 18.5662 179.7232 179 K 3.9227 7.6648 115.8407 59.4361 31.8001 178.5964 180 Y 3.9898 7.7776 119.7445 60.3253 38.8543 180.6611 181 W 4.0424 7.9129 119.4809 56.3743 28.9857 177.3075 *183 A 3.1479 7.8064 119.0752 51.3538 19.4533 178.1369 184 S 4.2146 7.2959 111.4363 58.1859 65.1848 173.8846 185 E 4.6102 8.1264 120.8063 53.4810 31.3470 173.4638 186 P 4.8524 0.0000 0.0000 61.9392 32.7285 175.8217 187 Y 4.0015 8.9065 115.4353 61.1467 38.3701 178.2121 188 A 4.5586 7.8224 123.0223 51.2572 18.1873 177.6072 189 Y 4.4146 7.7870 123.2190 58.4965 38.2754 178.4274 190 K 3.5918 7.0817 120.9826 59.0850 32.3969 177.9766 191 L 4.2036 7.5599 117.2805 57.0343 42.2837 178.1335 192 I 4.0849 7.8954 115.7871 60.2715 38.8154 176.5146 193 G 4.0688 7.8200 105.8825 45.9263 0.0000 173.4425 194 K 4.4052 8.2661 119.7760 56.1617 33.0010 176.8361 195 K 4.2074 8.0862 120.9195 57.1577 33.7757 175.5048 196 Y 5.5748 7.7454 115.5528 56.0952 41.5954 175.1521 197 K 4.7629 8.9691 118.7525 55.7237 36.2994 175.2761 198 L 4.9298 8.6298 122.6010 54.3874 43.0701 176.1191 199 I 4.3422 8.7656 124.1639 60.5556 38.9370 176.9734 200 G 3.9954 9.0251 115.7861 44.5992 0.0000 172.2515 201 K 4.3500 7.9709 118.6866 54.8397 33.0872 177.0910 202 K 4.4437 8.1347 119.2555 57.3089 33.4189 176.2758 203 I 4.4715 8.6750 122.5526 59.2531 40.0215 175.0457 204 S 4.4255 8.6312 122.3378 58.3906 62.9452 173.1231 205 I 4.3802 8.1765 126.9111 60.7809 41.0604 176.0917 206 G 3.8093 8.7777 118.5885 45.0545 0.0000 172.9572 207 E 4.4274 8.3555 118.3911 56.1512 30.2011 177.0164 208 G 3.7249 7.6686 105.0736 44.7897 0.0000 173.1553 209 Y 4.5777 7.6380 117.2218 57.5871 39.1705 174.7345 210 S 4.9919 8.3383 116.7737 57.1280 66.5318 172.8644 211 I 4.7809 8.9126 123.8601 59.7729 39.2420 174.6923 *213 A 4.3846 8.2090 123.9417 51.8511 20.3407 175.9057 214 N 4.8987 8.4747 115.5843 52.3600 39.4190 174.9307 215 P 4.2487 0.0000 0.0000 65.9971 31.4563 177.0640 216 D 4.7968 8.0905 114.1317 54.0780 39.6930 176.7797 217 Q 4.4310 8.1476 119.3187 55.9674 29.7555 177.4553 218 F 4.2995 7.8920 119.1045 60.0670 37.7312 176.9473 219 V 3.6291 6.8298 118.4033 65.7477 31.4455 177.6087 220 L 3.9370 7.6684 119.6118 58.2029 42.0128 178.7325 221 I 3.7690 7.8744 119.7660 64.4149 37.1644 178.5672 222 K 4.0459 8.3116 119.3042 59.4500 31.8722 179.6131 223 K 4.0619 8.0241 118.3490 59.4718 31.8815 179.5535 224 I 3.8208 7.8813 120.1929 64.1528 36.9468 178.2958 225 N 4.3670 8.3087 117.6219 56.2496 38.3723 177.4750 226 K 3.9640 7.9386 119.4752 59.6093 31.9298 179.3721 227 I 3.9703 7.4053 120.0713 63.9061 37.1028 178.1528 228 L 4.1864 7.9685 118.7903 57.7820 41.7215 179.3163 229 L 4.3414 8.1252 118.9939 57.5538 41.4992 179.8527 230 E 4.0128 8.3078 118.5168 56.6000 29.3736 178.8197 *232 E 4.4339 8.2622 120.0332 56.3034 31.6029 177.3504 233 A 4.2093 7.9474 121.0540 54.0289 18.7770 177.6702 234 D 4.6949 8.1293 113.0442 52.9754 39.8953 177.7349 235 G 4.0874 8.2486 109.0014 46.6143 0.0000 175.9985 236 T 3.9180 8.6694 117.4262 66.8251 68.3318 175.7471 237 Y 4.1264 8.1184 120.9031 60.6270 38.8741 177.6155 238 L 3.9766 8.1697 120.7699 58.1313 42.3858 178.5998 239 R 3.9073 8.1101 118.5680 59.3899 29.8874 178.2000 240 L 4.3446 7.8611 121.2177 57.9283 42.1593 178.0135 241 Y 4.1698 8.2839 120.0900 60.9814 38.4327 178.5017 242 S 4.3181 8.4715 114.1125 61.4857 63.2603 175.9918 243 E 3.9244 8.1927 121.6477 58.6600 28.8284 178.3235 244 Y 3.6975 6.9961 113.9156 58.5972 38.8015 175.7019 245 F 4.4480 7.4346 122.0707 57.4523 39.4052 175.0768 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 18 S 8.32 4.44 0.00 3.87 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 19 L 7.12 4.43 0.00 1.78 1.75 0.91 -0.02 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 20 N 8.76 5.34 0.00 2.67 2.65 0.00 0.00 7.18 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.71 4.93 0.00 1.53 1.45 0.87 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.88 4.73 4.22 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 1.27 0.00 0.00 23 I 8.73 4.83 1.69 0.00 0.00 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 1.05 0.50 1.01 0.00 0.00 24 G 9.03 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 0.00 0.00 0.00 25 T 8.94 5.28 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 1.22 0.00 0.00 26 S 8.68 5.48 0.00 4.10 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 27 K 8.77 4.38 0.00 1.85 2.14 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.96 1.33 7.81 28 F 7.93 4.90 0.00 3.01 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 29 N 8.48 4.47 0.00 2.74 2.60 0.00 0.00 6.58 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 30 P 0.00 4.09 0.00 0.49 1.37 0.00 2.86 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.01 0.00 31 P 0.00 4.33 0.00 2.08 2.10 0.00 3.26 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.82 0.00 32 F 7.93 4.06 0.00 3.21 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 33 E 7.41 5.38 0.00 1.81 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 2.21 2.22 0.00 34 V 7.58 4.69 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 0.46 0.00 0.00 -0.61 0.00 0.00 35 W 9.54 4.69 0.00 3.17 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 36 S 8.18 4.32 0.00 3.75 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 37 G 5.38 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 0.00 0.00 0.00 38 N 8.79 4.67 0.00 2.87 3.03 0.00 0.00 6.82 8.00 0.00 0.00 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 N 8.04 4.89 0.00 2.68 2.77 0.00 0.00 6.76 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 40 S 7.61 4.73 0.00 3.71 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.59 4.37 0.00 4.05 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 42 L 8.13 4.63 0.00 1.41 1.58 1.06 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 7.74 4.79 0.00 3.19 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 44 G 8.88 4.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.45 3.08 0.00 1.65 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.94 4.14 0.00 3.02 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 47 I 7.34 3.49 1.85 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.52 0.55 0.00 0.00 48 D 7.82 4.54 0.00 2.56 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 49 L 7.33 3.60 0.00 0.91 1.23 0.89 -0.11 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 *51 Q 7.91 4.24 0.00 2.53 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 52 E 8.14 3.97 0.00 2.21 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 2.34 2.42 0.00 53 I 7.95 3.74 1.86 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 1.54 1.15 0.92 0.00 0.00 54 C 8.01 4.18 0.00 3.09 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 55 R 7.85 4.02 0.00 2.00 2.20 0.00 2.79 0.00 0.00 3.68 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 56 R 7.70 4.07 0.00 1.94 2.03 0.00 3.18 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 57 L 7.54 4.18 0.00 1.83 1.68 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.07 4.23 0.00 3.30 3.37 0.00 5.61 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.41 5.65 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 60 T 8.51 4.07 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 1.20 0.00 0.00 61 C 8.50 5.05 0.00 2.82 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 62 T 8.24 4.57 4.22 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 1.18 0.00 0.00 63 F 8.88 5.16 0.00 3.01 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 64 E 9.64 4.51 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 65 A 8.19 5.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.29 4.61 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 67 I 8.56 4.11 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 1.29 0.54 1.04 0.00 0.00 68 F 9.04 3.73 0.00 3.15 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 69 D 8.34 4.57 0.00 3.01 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.56 4.57 0.00 2.88 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 71 L 7.54 3.39 0.00 0.77 1.00 0.62 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 F 7.18 3.94 0.00 3.04 3.16 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 73 P 0.00 4.32 0.00 2.25 2.33 0.00 3.68 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.04 0.00 74 A 7.67 4.41 0.62 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 75 L 7.74 3.79 0.00 1.54 1.68 0.90 -0.09 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 76 K 8.01 4.06 0.00 1.95 2.04 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.45 7.81 77 N 8.09 4.68 0.00 2.71 2.82 0.00 0.00 7.04 7.18 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 78 R 8.02 3.93 0.00 2.07 1.99 0.00 3.44 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 79 E 8.24 4.23 0.00 2.14 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 2.36 2.27 0.00 80 V 6.89 4.79 2.23 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 0.82 0.00 0.00 0.86 0.00 0.00 81 D 9.06 4.60 0.00 2.47 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 82 L 7.63 4.84 0.00 1.51 1.49 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.07 4.84 1.85 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 0.74 0.00 0.00 0.67 0.00 0.00 84 I 8.52 4.64 1.97 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.25 1.03 0.00 0.00 85 A 9.20 5.20 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 86 S 8.80 2.79 0.00 2.72 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 *88 I 8.01 4.00 1.80 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 1.21 0.70 0.76 0.00 0.00 89 I 8.09 2.76 1.52 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 0.08 0.29 0.58 0.00 0.00 90 T 8.06 4.82 4.22 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 1.23 0.00 0.00 91 D 8.91 4.40 0.00 2.67 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 92 E 8.18 4.14 0.00 2.03 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 2.41 2.42 0.00 93 R 8.09 4.31 0.00 2.25 2.47 0.00 3.41 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.06 0.00 94 K 8.02 5.25 0.00 2.00 1.98 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 2.00 1.84 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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 *105 E 7.95 4.05 0.00 1.97 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 2.18 2.20 0.00 106 S 8.02 3.95 0.00 3.20 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 N 8.61 5.51 0.00 2.66 2.64 0.00 0.00 6.78 7.57 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 0.00 108 S 9.29 5.00 0.00 3.28 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 0.00 109 Q 7.72 4.81 0.00 2.42 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.11 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 110 Y 8.79 4.69 0.00 3.30 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 0.00 111 I 8.96 5.16 1.86 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 1.09 1.91 0.83 0.00 0.00 112 T 8.70 5.23 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 1.27 0.00 0.00 113 T 8.49 4.69 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 114 V 8.33 3.67 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 0.76 0.00 0.00 0.96 0.00 0.00 115 D 7.98 4.72 0.00 2.76 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 0.00 116 S 7.69 4.66 0.00 3.88 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.53 4.12 0.00 1.78 1.86 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.40 7.81 118 I 7.57 3.85 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.45 0.86 0.00 0.00 119 S 8.88 4.70 0.00 3.93 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 0.00 120 T 7.94 4.76 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 0.00 121 F 8.94 3.99 0.00 3.07 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 0.00 122 D 7.85 4.49 0.00 3.01 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.10 4.63 0.00 2.73 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 0.00 124 L 7.23 4.06 0.00 1.33 1.22 -0.50 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 125 H 7.09 4.37 0.00 3.10 3.15 0.00 5.80 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.55 4.36 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 0.00 127 K 7.67 4.60 0.00 1.70 1.83 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.48 7.81 128 K 9.81 4.70 0.00 1.67 1.73 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.41 7.81 129 I 8.99 4.91 1.89 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 1.17 1.04 0.00 0.00 130 G 9.36 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 0.00 131 V 8.62 4.90 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.86 0.00 0.00 132 R 8.70 4.74 0.00 1.97 1.80 0.00 3.01 0.00 0.00 2.45 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 133 K 9.54 4.40 0.00 1.98 1.95 0.00 1.89 0.00 0.00 1.84 0.00 0.00 3.23 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.71 1.52 7.81 134 G 9.41 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 0.00 135 T 7.64 4.49 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 0.98 0.00 0.00 136 P 0.00 4.66 0.00 2.23 2.24 0.00 3.07 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 137 Y 7.45 4.44 0.00 2.96 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 0.00 138 A 8.09 4.02 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 0.00 139 R 8.06 3.92 0.00 1.95 2.18 0.00 3.21 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 140 Q 7.87 4.01 0.00 2.24 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.72 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 141 V 8.06 3.85 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 1.02 0.00 0.00 1.07 0.00 0.00 142 L 8.08 4.09 0.00 1.79 1.73 0.98 0.64 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 0.00 143 S 8.05 4.24 0.00 4.07 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 0.00 144 E 8.02 4.11 0.00 2.15 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 2.48 2.66 0.00 145 N 8.04 4.23 0.00 2.84 2.85 0.00 0.00 6.76 7.29 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 0.00 146 R 7.30 4.46 0.00 1.81 2.03 0.00 3.15 0.00 0.00 2.99 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 147 N 7.88 4.38 0.00 2.82 2.50 0.00 0.00 6.87 6.71 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 0.00 148 N 7.57 5.47 0.00 2.57 2.64 0.00 0.00 6.96 7.69 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 0.00 149 Q 8.40 4.64 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 150 V 8.37 4.63 1.88 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 0.16 0.00 0.00 0.85 0.00 0.00 151 I 8.36 4.35 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.11 0.32 0.00 0.00 152 F 8.81 4.85 0.00 2.87 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 0.00 153 Y 9.09 4.82 0.00 3.03 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 0.00 154 E 9.36 3.92 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 155 L 7.70 5.00 0.00 1.93 1.91 1.09 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.57 3.80 2.23 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 1.50 0.91 0.94 0.00 0.00 157 Q 8.41 4.14 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 7.18 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 158 D 7.79 4.36 0.00 3.02 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *160 L 7.95 4.17 0.00 1.43 1.46 -0.62 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 161 L 7.92 3.99 0.00 1.79 1.80 0.96 0.78 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 0.00 162 G 8.21 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 0.00 0.00 0.00 163 L 7.67 4.06 0.00 1.71 1.85 1.01 1.05 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 0.00 164 S 7.90 4.15 0.00 4.03 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 0.00 165 N 8.32 4.60 0.00 2.76 2.87 0.00 0.00 7.02 7.54 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 0.00 166 N 8.01 4.32 0.00 2.84 2.89 0.00 0.00 7.15 6.67 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 0.00 167 Q 8.93 4.27 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.68 6.45 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 168 V 7.36 4.65 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.01 0.00 0.00 169 D 8.85 4.65 0.00 2.66 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 0.00 170 A 7.55 4.64 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 S 9.11 5.04 0.00 3.80 3.57 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 0.00 172 L 8.14 4.83 0.00 1.08 1.21 -0.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 *174 D 8.44 4.67 0.00 2.96 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 Y 9.07 4.18 0.00 3.13 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 0.00 176 E 8.41 3.74 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 1.47 0.00 177 A 8.27 4.23 1.51 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 0.00 178 A 8.05 3.99 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 0.00 179 K 7.66 3.92 0.00 1.46 1.70 0.00 1.55 0.00 0.00 1.24 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.21 0.63 7.81 180 Y 7.78 3.99 0.00 2.95 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 0.00 181 W 7.91 4.04 0.00 3.38 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 *183 A 7.81 3.15 1.04 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 0.00 184 S 7.30 4.21 0.00 2.95 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 E 8.13 4.61 0.00 2.43 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 186 P 0.00 4.85 0.00 2.34 2.13 0.00 3.92 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 2.13 2.05 0.00 187 Y 8.91 4.00 0.00 2.95 3.15 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 0.00 188 A 7.82 4.56 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 0.00 189 Y 7.79 4.41 0.00 3.22 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 0.00 190 K 7.08 3.59 0.00 1.16 1.62 0.00 1.53 0.00 0.00 1.48 0.00 0.00 2.94 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.24 1.44 7.81 191 L 7.56 4.20 0.00 1.60 1.67 0.84 0.76 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 0.00 192 I 7.90 4.08 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.80 1.03 0.00 0.00 193 G 7.82 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 K 8.27 4.41 0.00 1.82 1.89 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.57 1.66 7.81 195 K 8.09 4.21 0.00 1.75 1.47 0.00 1.35 0.00 0.00 1.19 0.00 0.00 2.47 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.33 1.04 7.81 196 Y 7.75 5.57 0.00 2.91 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 K 8.97 4.76 0.00 1.84 1.91 0.00 1.35 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.49 7.81 198 L 8.63 4.93 0.00 1.64 1.74 1.01 0.83 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 0.00 199 I 8.77 4.34 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.91 0.94 0.00 0.00 200 G 9.03 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 0.00 201 K 7.97 4.35 0.00 1.63 1.68 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.34 7.81 202 K 8.13 4.44 0.00 1.40 1.19 0.00 0.82 0.00 0.00 0.61 0.00 0.00 2.64 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.05 1.18 7.81 203 I 8.67 4.47 1.88 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.47 0.95 0.00 0.00 204 S 8.63 4.43 0.00 3.81 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 0.00 205 I 8.18 4.38 2.05 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.95 1.12 0.00 0.00 206 G 8.78 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 0.00 207 E 8.36 4.43 0.00 1.78 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 208 G 7.67 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 Y 7.64 4.58 0.00 2.35 2.44 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 0.00 210 S 8.34 4.99 0.00 3.82 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 0.00 211 I 8.91 4.78 2.02 0.00 0.00 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 1.28 1.26 1.02 0.00 0.00 *213 A 8.21 4.38 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 0.00 214 N 8.47 4.90 0.00 2.82 2.76 0.00 0.00 6.78 8.03 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 0.00 215 P 0.00 4.25 0.00 2.04 2.16 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.06 0.00 216 D 8.09 4.80 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 0.00 217 Q 8.15 4.43 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 218 F 7.89 4.30 0.00 3.28 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 0.00 219 V 6.83 3.63 1.85 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 0.99 0.00 0.00 0.70 0.00 0.00 220 L 7.67 3.94 0.00 1.73 1.76 0.89 1.05 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 0.00 221 I 7.87 3.77 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.75 1.03 0.00 0.00 222 K 8.31 4.05 0.00 2.10 1.91 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.75 7.81 223 K 8.02 4.06 0.00 1.98 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.66 7.81 224 I 7.88 3.82 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.76 0.97 0.00 0.00 225 N 8.31 4.37 0.00 2.94 2.89 0.00 0.00 6.94 7.15 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 0.00 226 K 7.94 3.96 0.00 2.00 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.70 7.81 227 I 7.41 3.97 2.05 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 1.81 1.15 0.93 0.00 0.00 228 L 7.97 4.19 0.00 1.83 1.75 1.04 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 229 L 8.13 4.34 0.00 1.88 1.71 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 230 E 8.31 4.01 0.00 2.14 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 2.34 2.70 0.00 *232 E 8.26 4.43 0.00 2.06 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 1.70 2.51 0.00 233 A 7.95 4.21 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 0.00 234 D 8.13 4.69 0.00 2.85 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 0.00 235 G 8.25 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 0.00 236 T 8.67 3.92 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 237 Y 8.12 4.13 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 0.00 238 L 8.17 3.98 0.00 1.96 1.90 1.03 0.92 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 0.00 239 R 8.11 3.91 0.00 2.06 2.12 0.00 3.17 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.67 0.00 240 L 7.86 4.34 0.00 1.89 1.88 1.10 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 241 Y 8.28 4.17 0.00 2.71 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 0.00 242 S 8.47 4.32 0.00 4.09 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 0.00 243 E 8.19 3.92 0.00 2.07 1.77 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 2.26 2.63 0.00 244 Y 7.00 3.70 0.00 1.53 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 0.00 245 F 7.43 4.45 0.00 2.26 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 * Residues marked with a * may have inaccurate shift predictions.