NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5070 8.3349 115.5524 58.4135 63.4056 172.6878 3 E 4.7616 9.1139 129.0187 53.4885 33.2907 173.1712 *5 I 3.9464 8.1088 115.2151 61.8315 39.7145 174.5709 6 Y 5.1875 7.7052 121.1796 56.0650 41.1237 175.5056 7 G 4.2197 8.7258 108.1850 45.6605 0.0000 175.0487 8 I 3.9288 7.9702 121.5631 64.1083 37.1615 178.6220 9 H 4.3843 8.2796 116.4107 58.0912 28.3532 176.9842 10 A 4.2843 7.9550 121.9451 54.1942 18.6420 179.4455 11 V 3.8740 7.7420 116.8058 66.0604 31.5092 178.2032 12 Q 4.1050 8.2244 117.5083 58.4639 28.8634 177.9894 13 A 4.0284 7.9537 121.3386 55.1828 18.3706 179.6020 14 L 4.1753 7.8166 116.1722 57.6672 41.5760 179.5009 15 L 3.9885 7.5167 117.9789 57.5388 41.5772 178.7152 16 E 4.1213 8.3626 118.7966 58.9490 29.7003 177.9330 17 R 4.4120 8.0521 116.3235 56.4991 32.4510 177.0037 18 A 4.7888 7.7970 121.1206 49.7883 18.9495 174.9689 19 P 4.6071 0.0000 0.0000 64.4591 32.1277 178.5716 20 E 4.2373 8.1719 114.4616 57.9170 29.8384 177.5957 21 R 4.2187 8.0670 118.8337 57.1922 30.7101 176.1826 22 F 4.3796 8.2216 118.2687 57.4795 39.5043 173.9268 23 Q 4.5897 8.6894 123.4034 56.9616 30.5883 175.7437 24 E 4.7021 7.8003 118.5010 54.6742 33.4334 173.2332 25 V 4.4929 8.3174 126.3850 61.1178 34.4386 174.2273 26 F 5.5038 9.3443 125.8836 55.6704 41.8698 174.2187 27 I 5.4536 8.3206 116.0799 57.3269 41.2757 174.7932 28 L 4.0752 8.6936 123.6398 55.8107 41.9380 177.9552 29 K 4.0281 8.6447 127.1330 53.5216 30.5337 174.8025 30 G 3.7809 8.4042 114.1508 42.7440 0.0000 170.8142 31 R 5.2750 7.2733 124.7171 56.4378 30.2978 174.5837 32 E 4.1954 8.2963 124.3555 56.6669 30.4360 176.8001 33 D 4.6671 8.2725 121.5716 53.0971 44.6928 176.1930 34 K 4.3088 8.8271 121.4192 57.3580 31.6894 177.7160 35 R 4.4528 7.7641 117.6917 56.3001 31.3231 176.7240 36 L 4.5734 8.1159 117.8145 56.0816 43.9820 178.4478 37 L 4.0017 8.1659 118.0783 57.6927 41.4993 177.4176 38 P 4.3682 0.0000 0.0000 63.5466 31.4096 176.4436 39 L 4.4996 7.6085 119.3284 56.5812 43.7136 177.8395 40 I 3.6668 8.4000 120.5875 64.9448 37.0931 178.0807 41 H 4.8771 8.9965 118.2053 58.4284 28.4833 177.6958 42 A 4.0026 7.9624 122.0323 55.1161 18.1774 179.5021 43 L 3.6866 8.1751 117.8139 57.9037 41.7082 179.5923 44 E 3.8985 8.1908 118.5660 59.6013 29.1721 179.6640 45 S 4.1324 8.3266 114.3835 61.6295 62.9552 176.4895 46 Q 4.1464 8.0037 119.7401 56.6940 28.4605 176.7874 47 G 3.7584 7.7422 107.6276 46.0017 0.0000 173.1830 48 V 4.0407 7.5439 119.5087 61.2992 32.8100 175.7437 49 V 3.7340 8.3637 127.9138 63.1719 32.2769 174.7501 50 I 4.6031 8.2384 128.6978 60.1311 39.3599 175.0029 51 Q 4.5829 8.7822 126.0342 54.0580 32.3683 173.9913 52 L 4.6326 8.6808 126.8906 55.6639 41.6867 176.1024 53 A 4.7018 8.5347 124.0413 50.3151 23.0627 176.4342 54 N 4.6956 8.6952 118.8772 52.6524 38.2927 175.0449 55 R 4.1042 8.4897 116.2366 59.2399 29.9767 178.4469 56 Q 4.0755 8.1017 119.2796 59.3989 27.8343 177.1030 57 Y 3.9089 10.0389 120.7433 60.1364 38.4255 177.2795 58 L 4.2743 7.4444 117.0944 55.0295 42.9399 177.4622 59 D 4.6327 8.3125 119.6330 56.6176 41.0177 177.8550 60 E 4.1103 8.0518 119.1667 58.4023 30.3049 179.3660 61 K 4.4726 7.6729 120.5184 55.4611 30.7488 177.2730 62 S 4.6661 8.1042 112.6381 57.6471 66.4467 175.6912 63 D 4.1644 8.7969 121.6033 57.2336 38.2824 174.6255 64 G 3.8162 7.9834 107.8901 46.3937 0.0000 170.2215 65 A 4.3764 7.1489 121.4465 50.5005 21.9922 177.1677 66 V 3.9099 7.5668 118.5051 62.0859 31.1419 177.1832 67 H 4.1658 7.8242 117.0345 57.1940 28.6570 176.2956 68 Q 3.5804 8.7928 116.4704 56.7583 26.8028 174.4740 69 G 4.0210 9.4517 104.6975 44.9981 0.0000 172.9899 70 I 5.1081 8.0965 119.8441 59.3256 41.5751 174.0742 71 I 5.3104 8.9416 128.1743 60.1640 41.9252 173.7081 72 A 5.1013 8.8741 125.9068 50.4576 23.0701 175.4138 73 R 4.4519 9.2866 120.9326 55.0230 31.5382 175.4208 74 V 4.8660 8.6108 126.5175 60.6997 35.2367 174.5729 75 K 4.4281 8.4387 125.8955 55.2144 32.5748 175.4549 76 P 5.1019 0.0000 0.0000 62.3135 31.8855 176.2336 77 G 3.6596 8.5286 110.8357 44.5620 0.0000 172.9597 78 R 3.5742 8.5194 123.1571 56.7739 29.9198 175.4744 79 Q 4.4623 8.3143 124.7383 54.5164 29.8249 175.0711 80 Y 4.3740 8.6061 121.3306 57.4499 39.1615 175.0778 81 Q 4.7166 8.9756 122.9349 53.6423 31.5178 176.1212 82 E 3.9071 8.8800 120.4522 59.7295 29.7454 178.9251 83 N 4.2971 8.3090 115.9494 56.5150 39.2674 174.7365 84 D 4.8498 8.2952 116.3621 53.4561 39.9212 178.0455 85 L 3.9304 7.9942 124.1214 58.2405 42.0512 177.0275 86 P 4.2415 0.0000 0.0000 66.0739 30.9037 178.0901 87 D 4.3275 8.0208 118.0887 56.9252 40.7344 178.0036 88 L 3.9376 7.5196 119.3124 58.3170 42.3478 178.8503 89 I 3.7905 8.0631 119.5933 64.4729 36.8843 178.2384 90 A 4.2688 7.7803 120.3138 54.8882 18.1847 178.8279 91 S 4.4882 7.7401 110.1381 57.7935 63.6148 173.7466 92 L 4.4994 7.5841 123.9081 53.1131 42.8253 175.8967 93 D 4.4424 8.7827 123.8160 57.2793 41.2806 176.4929 94 Q 4.5522 7.6665 120.3085 53.6142 30.1940 170.6662 95 P 4.2548 0.0000 0.0000 62.8451 33.0032 174.5375 96 F 5.4137 9.3091 125.4399 56.5914 41.4601 173.0619 97 L 5.1288 9.6258 126.4252 52.4792 45.4493 175.1536 98 L 4.9904 8.3223 122.6234 53.3444 45.0849 175.0580 99 I 4.9599 9.1021 127.0309 59.4555 40.1774 174.3778 100 L 4.7251 8.7300 127.3831 53.1301 43.5671 175.8047 101 D 4.4954 8.8635 125.2022 55.6346 42.4997 176.0829 102 G 3.9421 8.9932 114.3758 45.3112 0.0000 172.4425 103 V 3.9991 7.7394 120.5277 61.7150 30.6035 176.0264 104 T 4.4632 8.2423 117.3497 61.8507 70.0159 174.3923 105 D 4.6225 7.8910 122.6980 52.4915 41.5625 174.4856 106 P 4.1827 0.0000 0.0000 66.3099 31.2369 177.9499 107 H 4.1654 8.4981 116.6988 59.3301 29.7203 177.1699 108 N 4.4498 8.5525 118.6163 56.0178 38.3217 177.1996 109 L 4.0388 7.9621 121.6641 57.9567 42.1459 179.1694 110 G 3.5056 8.0153 105.0686 47.7242 0.0000 175.5301 111 A 3.9851 7.9484 123.6189 55.1232 18.3806 179.5617 112 C 4.1525 8.4154 115.4836 62.7878 28.1569 176.4142 113 L 3.9477 7.8593 120.7194 57.6350 41.2514 179.2830 114 R 3.8952 8.2307 118.9662 59.8706 30.0010 178.8247 115 S 4.2930 8.2260 114.4703 61.4009 62.7704 176.6016 116 A 3.8929 8.2357 123.8232 54.8987 18.0331 179.1037 117 D 4.1593 8.2291 116.3111 57.6109 41.1819 178.0835 118 A 4.0938 7.9144 119.6050 55.4378 18.4454 178.9521 119 A 3.8003 8.0215 117.0797 52.6745 18.6614 178.3069 120 G 3.8164 8.1125 105.6338 45.6870 0.0000 173.9515 121 V 3.4265 7.7372 119.6131 62.7710 31.8263 176.0349 122 H 4.5787 8.6215 123.8089 58.2205 29.4304 175.4649 123 A 4.4361 7.3874 116.4256 51.0705 22.3612 175.1670 124 V 4.5966 8.4025 121.5907 61.3198 33.7280 174.4646 125 I 5.0415 8.8725 129.6546 59.7008 39.4532 175.2477 126 V 4.8641 8.5190 124.9661 59.1949 35.7911 172.7802 127 P 4.6639 0.0000 0.0000 62.6394 31.4053 176.7202 128 K 3.9189 9.4708 129.2135 58.8475 32.7297 176.4623 129 D 4.7731 7.5418 118.2248 53.4443 42.8996 176.1951 130 R 3.7767 9.1552 122.6062 56.3883 26.3793 175.7338 131 S 4.8509 7.4222 109.7797 56.4602 66.0145 174.2960 132 A 4.2744 8.9825 127.8559 52.5311 18.9486 176.7807 133 Q 4.5283 8.3660 117.5705 54.0277 31.3980 176.8052 134 L 4.2176 8.4512 124.6632 54.3521 40.6145 176.3647 135 N 4.8942 7.8220 121.9732 50.5219 41.4312 174.5803 136 A 3.9937 8.5416 120.8450 56.3885 18.1841 179.9631 137 T 3.8163 8.0491 113.0878 66.5560 68.4450 176.6000 138 A 4.0739 8.4779 122.6675 55.1937 17.2576 179.5491 139 K 3.7931 7.9420 116.9410 59.5843 32.2235 179.2259 140 K 3.8810 8.1996 119.6051 59.8019 31.9760 179.0786 141 V 3.6350 7.8467 116.4739 65.4427 31.7120 177.3390 142 A 4.2512 8.3330 120.3939 52.6924 18.2012 177.0068 143 C 4.1248 9.1185 113.9768 60.7728 26.5745 174.2970 144 G 4.0203 7.7764 105.8577 45.3951 0.0000 176.2490 145 A 3.9659 7.9771 122.3925 55.0257 18.6420 179.4689 146 A 4.0188 8.1381 117.9547 55.5497 18.4068 178.6148 147 E 4.1897 8.2422 113.3766 58.2913 29.9949 177.9192 148 S 4.4681 8.0275 113.5013 59.6192 64.2506 174.2181 149 V 4.3286 7.5705 121.0755 60.3084 32.0549 173.9725 150 P 4.4967 0.0000 0.0000 62.9091 32.6805 174.9643 151 L 5.0132 8.5401 123.9084 53.6405 44.2023 175.2512 152 I 4.4651 8.7305 128.6224 59.7725 39.1400 175.1184 153 R 4.8828 8.6084 126.7125 55.2365 31.1846 176.0863 154 V 4.4274 8.8284 123.8871 61.3241 34.2837 175.9581 155 T 4.0633 9.2311 124.8288 65.8526 69.0621 173.5008 156 N 4.9028 7.6941 118.0858 51.3668 41.2252 174.9026 157 L 3.8571 8.7593 127.6519 58.2054 42.5712 177.6299 158 A 3.9320 8.0139 119.7086 55.2471 18.5122 178.6139 159 R 4.0313 7.6858 113.4984 60.0312 30.1028 180.1591 160 T 3.9733 7.3748 111.7739 63.9592 67.7568 174.8532 *162 R 4.1153 7.9660 118.1989 56.2318 31.8866 177.7862 *164 L 4.3236 7.9289 119.5026 55.0515 43.8252 179.5302 165 Q 4.0510 7.8087 116.9015 58.8440 28.8418 177.7024 166 E 4.2415 8.6191 115.9430 57.9346 29.5332 177.1318 167 E 4.5897 7.8044 117.7301 55.8202 30.0318 175.3868 168 N 4.2521 7.9870 113.3805 54.3255 36.7331 173.8974 169 I 4.4896 7.5960 119.2951 59.6767 38.3211 175.6034 170 W 4.4249 9.9214 135.0000 57.3537 32.0826 174.7388 171 I 4.8197 8.9704 129.0877 59.7039 38.6034 174.8771 172 V 4.8276 8.7380 127.6941 59.7006 33.8749 174.9439 173 G 4.5285 8.8537 112.4499 44.2283 0.0000 171.9511 174 T 4.9554 8.4600 114.0751 61.3443 69.7957 173.9759 175 A 4.4375 9.0487 125.1743 50.9822 22.0868 176.7544 176 G 3.6966 8.9193 110.1973 48.7617 0.0000 174.4623 177 E 4.2629 7.9545 118.4169 56.3325 29.6554 176.4323 178 A 4.6330 7.7506 120.6367 51.0129 20.7868 177.6009 179 D 4.6668 8.5733 118.4869 54.2039 40.5231 175.7753 180 H 5.0778 7.9234 114.4351 53.8155 32.0338 172.1649 181 T 4.6338 9.9619 110.5635 59.5265 70.4820 175.3270 182 L 3.8530 7.9327 124.0695 58.5456 41.8165 177.8859 183 Y 4.5903 7.0984 113.9096 59.4642 38.0648 175.8952 184 Q 4.6751 8.4226 119.0046 55.6317 29.2687 175.1105 185 S 4.9425 7.9919 111.1670 56.4805 65.0699 172.6390 186 K 4.5354 8.1167 122.6672 54.5566 34.5726 175.5603 *188 T 3.9350 8.0405 109.6284 62.5658 70.1340 175.3357 189 G 3.7001 8.3668 107.8638 45.2054 0.0000 174.0407 190 R 4.4083 8.4311 121.9018 55.9845 30.8838 175.5774 191 L 5.5068 9.3736 126.3201 53.1564 46.3451 175.0011 192 A 5.1072 9.1391 125.7417 50.1732 22.4560 174.4342 193 L 5.0751 9.2428 125.5841 53.6145 44.3493 175.8340 194 V 5.0529 7.9633 125.4905 60.2581 35.1163 173.9195 *196 G 4.4602 8.3664 109.0954 44.7643 0.0000 172.2820 197 A 4.2273 8.4351 120.6718 51.9627 18.8528 178.5562 198 E 3.8858 9.0959 120.2589 58.5433 30.0757 178.0056 199 G 3.9654 8.0700 105.4339 46.9720 0.0000 174.5212 200 E 3.9673 8.1705 116.7802 56.2135 29.7707 175.7674 201 G 3.7036 7.2210 109.1939 46.6845 0.0000 174.0867 *203 R 4.0898 7.5065 115.0901 54.6619 33.3251 176.1072 204 R 3.8470 8.4855 121.6214 59.8917 29.8050 178.4215 205 L 3.9691 7.9132 119.1142 58.5424 41.8563 178.8886 206 T 3.8521 7.7811 114.0903 66.6263 68.6113 176.3972 207 R 4.0800 7.8127 115.8435 58.4362 29.6790 177.9544 208 E 4.2136 7.7551 118.2406 58.5825 29.6990 177.3148 209 H 4.4621 7.5755 114.5377 55.1370 29.2615 174.7018 210 C 4.4224 7.2302 118.8840 58.7311 29.3492 173.5300 211 D 4.1631 8.1127 123.9773 56.6572 40.8158 176.2616 212 E 4.8541 7.5812 116.9277 54.3367 33.9734 174.0491 213 L 5.4801 8.6188 122.7347 52.8601 44.7867 175.9725 214 I 4.8171 8.9318 117.0777 58.9414 41.3312 174.4484 215 S 5.0131 8.2995 117.4841 56.6254 66.3390 172.7505 216 I 4.5473 8.1862 122.9459 59.4419 38.0334 174.2482 217 P 4.3263 0.0000 0.0000 62.4494 32.1528 176.5415 *219 A 4.0487 8.0934 120.1775 50.2012 18.6680 172.6223 220 G 3.9480 8.2680 105.8320 44.5769 0.0000 172.0078 221 S 4.4679 8.4711 119.6292 59.4196 63.2313 174.8117 222 V 4.3346 7.3766 112.6494 61.3196 33.9000 176.2120 223 S 4.2262 7.7645 117.3093 58.6825 63.0370 173.5811 224 S 5.0603 8.3008 117.8683 56.4814 66.2237 172.6266 225 L 4.7358 8.0384 120.9590 52.1372 44.9490 176.0586 226 N 4.6549 8.5872 123.0215 53.4080 40.9003 176.3299 227 V 3.6271 8.3585 125.4248 65.1016 31.6478 178.7130 228 S 4.2633 8.1405 114.3821 60.0822 62.8656 176.0404 229 V 3.7179 7.7958 122.0667 65.2577 31.4257 177.6848 230 A 3.9721 8.0927 120.5801 55.4218 18.2732 179.4514 231 T 3.9272 8.3159 114.8306 66.8626 68.5733 176.7298 232 G 3.8121 7.8242 107.3417 48.2149 0.0000 175.5558 233 I 3.8902 8.0060 122.8954 64.1716 37.2055 178.4838 234 C 4.1582 8.3427 117.4438 62.7414 27.9816 175.9605 235 L 4.0785 8.4216 120.9565 58.1384 41.2175 179.7575 236 F 3.8927 9.0339 117.5806 59.8495 38.8286 177.4651 237 E 4.0756 8.2927 119.2014 59.0542 29.4037 178.6299 238 A 3.9487 8.0164 120.4500 55.3224 18.3388 179.5019 239 V 3.4061 7.7280 115.5379 66.2208 31.7023 177.9942 240 R 4.0417 8.2641 118.4163 59.7433 29.8723 178.6746 241 Q 4.1208 8.0184 115.8510 58.1480 28.7402 177.7914 242 R 4.2791 8.0448 117.9094 55.9774 30.3526 176.5148 243 S 4.3236 7.6826 119.2177 58.3004 63.1206 173.8507 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.33 4.51 0.00 3.90 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 3 E 9.11 4.76 0.00 1.86 1.70 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 2.18 2.28 0.00 *5 I 8.11 3.95 1.70 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.62 0.74 0.00 0.00 6 Y 7.71 5.19 0.00 3.04 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 7 G 8.73 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 0.00 0.00 0.00 0.00 8 I 7.97 3.93 1.84 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 1.55 0.94 0.88 0.00 0.00 9 H 8.28 4.38 0.00 3.25 3.52 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.96 4.28 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 11 V 7.74 3.87 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 1.26 0.00 0.00 1.08 0.00 0.00 12 Q 8.22 4.11 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 13 A 7.95 4.03 1.41 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 14 L 7.82 4.18 0.00 2.18 2.25 0.98 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.52 3.99 0.00 1.84 1.68 0.77 0.67 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 16 E 8.36 4.12 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 17 R 8.05 4.41 0.00 2.01 1.96 0.00 3.35 0.00 0.00 3.26 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 18 A 7.80 4.79 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 19 P 0.00 4.61 0.00 2.30 2.05 0.00 3.64 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.33 0.00 20 E 8.17 4.24 0.00 2.10 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 0.00 2.30 2.29 0.00 21 R 8.07 4.22 0.00 2.10 1.93 0.00 3.12 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 22 F 8.22 4.38 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 23 Q 8.69 4.59 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.56 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 24 E 7.80 4.70 0.00 1.90 1.58 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 0.00 1.47 1.96 0.00 25 V 8.32 4.49 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.10 0.00 0.00 26 F 9.34 5.50 0.00 3.07 2.76 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 27 I 8.32 5.45 1.89 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 2.25 0.93 0.00 0.00 28 L 8.69 4.08 0.00 1.55 1.71 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.64 4.03 0.00 1.88 1.75 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.40 7.81 30 G 8.40 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.27 5.28 0.00 1.98 2.03 0.00 3.11 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.47 0.00 32 E 8.30 4.20 0.00 1.99 1.93 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 2.32 2.28 0.00 33 D 8.27 4.67 0.00 2.73 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.83 4.31 0.00 1.74 1.83 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 35 R 7.76 4.45 0.00 1.79 1.97 0.00 3.16 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 36 L 8.12 4.57 0.00 1.66 1.67 0.95 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.17 4.00 0.00 1.72 1.68 1.10 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.37 0.00 2.02 2.06 0.00 3.60 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 39 L 7.61 4.50 0.00 1.65 1.75 0.95 0.96 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 40 I 8.40 3.67 2.03 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 1.52 0.56 0.89 0.00 0.00 41 H 9.00 4.88 0.00 3.24 3.35 0.00 5.83 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 42 A 7.96 4.00 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 43 L 8.18 3.69 0.00 1.76 1.57 0.87 0.25 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 44 E 8.19 3.90 0.00 2.10 1.93 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 2.26 2.54 0.00 45 S 8.33 4.13 0.00 3.88 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 46 Q 8.00 4.15 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.30 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 47 G 7.74 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 48 V 7.54 4.04 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 0.79 0.00 0.00 0.82 0.00 0.00 49 V 8.36 3.73 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 0.87 0.00 0.00 0.91 0.00 0.00 50 I 8.24 4.60 1.81 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 1.16 0.83 0.85 0.00 0.00 51 Q 8.78 4.58 0.00 1.79 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.02 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 52 L 8.68 4.63 0.00 1.70 1.66 0.93 0.44 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 53 A 8.53 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.70 4.70 0.00 2.86 2.94 0.00 0.00 6.08 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.49 4.10 0.00 1.93 1.98 0.00 3.21 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 56 Q 8.10 4.08 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 57 Y 10.04 3.91 0.00 3.21 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 58 L 7.44 4.27 0.00 1.52 1.53 0.94 1.03 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 59 D 8.31 4.63 0.00 2.78 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 60 E 8.05 4.11 0.00 1.94 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 0.00 2.35 2.56 0.00 61 K 7.67 4.47 0.00 2.02 1.85 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.29 7.81 62 S 8.10 4.67 0.00 3.92 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 63 D 8.80 4.16 0.00 2.81 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 64 G 7.98 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 0.00 0.00 0.00 65 A 7.15 4.38 0.50 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 66 V 7.57 3.91 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.87 0.00 0.00 67 H 7.82 4.17 0.00 3.62 3.63 0.00 5.86 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.79 3.58 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.32 2.59 0.00 69 G 9.45 4.02 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 0.00 0.00 0.00 70 I 8.10 5.11 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.54 1.06 0.00 0.00 71 I 8.94 5.31 2.05 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.60 1.18 0.00 0.00 72 A 8.87 5.10 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 9.29 4.45 0.00 1.99 1.82 0.00 3.10 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 74 V 8.61 4.87 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.45 0.00 0.00 75 K 8.44 4.43 0.00 1.67 1.70 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.56 7.81 76 P 0.00 5.10 0.00 2.00 1.98 0.00 3.69 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 77 G 8.53 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.52 3.57 0.00 1.62 1.79 0.00 2.97 0.00 0.00 3.01 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.92 0.00 79 Q 8.31 4.46 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 80 Y 8.61 4.37 0.00 2.94 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 81 Q 8.98 4.72 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 82 E 8.88 3.91 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 83 N 8.31 4.30 0.00 2.72 2.85 0.00 0.00 6.95 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.30 4.85 0.00 3.09 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 85 L 7.99 3.93 0.00 1.84 1.79 0.87 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.24 0.00 2.31 2.32 0.00 3.81 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 2.15 2.08 0.00 87 D 8.02 4.33 0.00 2.77 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 88 L 7.52 3.94 0.00 1.51 1.84 0.68 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.06 3.79 2.01 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 1.44 0.49 0.91 0.00 0.00 90 A 7.78 4.27 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 91 S 7.74 4.49 0.00 4.06 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 92 L 7.58 4.50 0.00 1.80 1.57 0.78 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.78 4.44 0.00 2.62 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 94 Q 7.67 4.55 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.54 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 95 P 0.00 4.25 0.00 2.17 2.05 0.00 3.62 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 96 F 9.31 5.41 0.00 2.96 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 97 L 9.63 5.13 0.00 1.54 1.47 0.92 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.32 4.99 0.00 1.54 1.34 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 99 I 9.10 4.96 1.84 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 1.20 1.17 0.88 0.00 0.00 100 L 8.73 4.73 0.00 1.47 1.57 0.91 1.02 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 0.00 101 D 8.86 4.50 0.00 2.76 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 0.00 102 G 8.99 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 0.00 0.00 0.00 103 V 7.74 4.00 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 0.97 0.00 0.00 0.93 0.00 0.00 104 T 8.24 4.46 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 1.25 0.00 0.00 105 D 7.89 4.62 0.00 2.78 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 0.00 106 P 0.00 4.18 0.00 2.21 2.14 0.00 3.66 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 107 H 8.50 4.17 0.00 3.24 3.56 0.00 5.58 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.55 4.45 0.00 2.91 2.86 0.00 0.00 6.67 7.40 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 0.00 109 L 7.96 4.04 0.00 1.75 1.84 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.02 3.51 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 0.00 111 A 7.95 3.99 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 C 8.42 4.15 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 0.00 113 L 7.86 3.95 0.00 1.98 1.70 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 114 R 8.23 3.90 0.00 2.00 2.10 0.00 3.24 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 115 S 8.23 4.29 0.00 3.98 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 0.00 116 A 8.24 3.89 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 0.00 117 D 8.23 4.16 0.00 2.89 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 0.00 118 A 7.91 4.09 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.02 3.80 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 G 8.11 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 0.00 0.00 0.00 121 V 7.74 3.43 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.15 0.00 0.00 122 H 8.62 4.58 0.00 3.04 3.29 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.39 4.44 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.40 4.60 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.87 0.00 0.00 125 I 8.87 5.04 1.84 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 1.25 0.48 0.89 0.00 0.00 126 V 8.52 4.86 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.02 0.00 0.00 127 P 0.00 4.66 0.00 2.08 2.03 0.00 3.61 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 128 K 9.47 3.92 0.00 1.77 1.86 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.46 7.81 129 D 7.54 4.77 0.00 2.75 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 9.16 3.78 0.00 1.97 2.04 0.00 3.19 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 131 S 7.42 4.85 0.00 3.81 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 0.00 132 A 8.98 4.27 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 0.00 133 Q 8.37 4.53 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.40 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 134 L 8.45 4.22 0.00 1.59 1.60 0.92 0.96 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 0.00 135 N 7.82 4.89 0.00 3.04 2.97 0.00 0.00 5.97 7.68 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 0.00 136 A 8.54 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 T 8.05 3.82 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 138 A 8.48 4.07 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 0.00 139 K 7.94 3.79 0.00 2.00 1.89 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.56 7.81 140 K 8.20 3.88 0.00 1.97 2.01 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.51 7.81 141 V 7.85 3.63 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.83 0.00 0.00 142 A 8.33 4.25 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 C 9.12 4.12 0.00 3.09 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 0.00 144 G 7.78 4.02 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 0.00 0.00 0.00 145 A 7.98 3.97 1.41 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 0.00 146 A 8.14 4.02 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 0.00 147 E 8.24 4.19 0.00 2.12 2.03 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 2.33 2.40 0.00 148 S 8.03 4.47 0.00 3.95 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 0.00 149 V 7.57 4.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.92 0.00 0.00 150 P 0.00 4.50 0.00 2.09 2.36 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.68 0.00 151 L 8.54 5.01 0.00 1.62 1.60 0.98 1.00 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 0.00 152 I 8.73 4.47 1.86 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 1.30 0.83 0.94 0.00 0.00 153 R 8.61 4.88 0.00 1.70 1.86 0.00 3.15 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 154 V 8.83 4.43 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.03 0.00 0.00 155 T 9.23 4.06 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 1.20 0.00 0.00 156 N 7.69 4.90 0.00 2.69 2.62 0.00 0.00 6.64 6.66 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 0.00 157 L 8.76 3.86 0.00 1.59 1.63 0.90 1.07 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 0.00 158 A 8.01 3.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 R 7.69 4.03 0.00 1.97 2.10 0.00 3.27 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 160 T 7.37 3.97 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 1.20 0.00 0.00 *162 R 7.97 4.12 0.00 2.08 1.98 0.00 3.17 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 *164 L 7.93 4.32 0.00 1.72 1.76 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 165 Q 7.81 4.05 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.26 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 166 E 8.62 4.24 0.00 1.92 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 2.49 0.00 167 E 7.80 4.59 0.00 2.12 1.93 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 2.22 2.24 0.00 168 N 7.99 4.25 0.00 2.93 2.94 0.00 0.00 6.81 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 I 7.60 4.49 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 1.17 0.74 0.98 0.00 0.00 170 W 9.92 4.42 0.00 3.42 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 I 8.97 4.82 1.64 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.78 0.83 0.00 0.00 172 V 8.74 4.83 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 0.92 0.00 0.00 1.11 0.00 0.00 173 G 8.85 4.53 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 0.00 0.00 0.00 174 T 8.46 4.96 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 1.20 0.00 0.00 175 A 9.05 4.44 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 0.00 176 G 8.92 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 E 7.95 4.26 0.00 1.95 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 2.36 0.00 178 A 7.75 4.63 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 0.00 179 D 8.57 4.67 0.00 2.83 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 0.00 180 H 7.92 5.08 0.00 3.49 3.41 0.00 5.44 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 T 9.96 4.63 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 1.29 0.00 0.00 182 L 7.93 3.85 0.00 1.36 1.18 0.84 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 183 Y 7.10 4.59 0.00 3.06 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 0.00 184 Q 8.42 4.68 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 185 S 7.99 4.94 0.00 3.84 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 0.00 186 K 8.12 4.54 0.00 1.49 1.51 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.30 7.81 *188 T 8.04 3.93 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 1.15 0.00 0.00 189 G 8.37 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 R 8.43 4.41 0.00 2.02 1.97 0.00 3.10 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 191 L 9.37 5.51 0.00 1.81 1.64 1.17 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 192 A 9.14 5.11 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 L 9.24 5.08 0.00 1.79 1.50 0.95 0.91 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 0.00 194 V 7.96 5.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.94 0.00 0.00 *196 G 8.37 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 A 8.44 4.23 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 0.00 198 E 9.10 3.89 0.00 1.94 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 2.29 2.32 0.00 199 G 8.07 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 E 8.17 3.97 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 201 G 7.22 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *203 R 7.51 4.09 0.00 1.87 1.89 0.00 3.15 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 1.61 1.85 0.00 204 R 8.49 3.85 0.00 1.86 1.95 0.00 3.18 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.72 0.00 205 L 7.91 3.97 0.00 1.78 1.62 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 206 T 7.78 3.85 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 1.19 0.00 0.00 207 R 7.81 4.08 0.00 1.96 2.05 0.00 3.05 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 208 E 7.76 4.21 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 209 H 7.58 4.46 0.00 3.13 3.30 0.00 5.84 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 C 7.23 4.42 0.00 3.03 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 0.00 211 D 8.11 4.16 0.00 1.58 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 0.00 0.00 0.00 212 E 7.58 4.85 0.00 2.36 1.93 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 2.43 2.60 0.00 213 L 8.62 5.48 0.00 1.53 1.51 0.91 0.82 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 0.00 214 I 8.93 4.82 1.84 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 1.40 0.92 0.85 0.00 0.00 215 S 8.30 5.01 0.00 3.79 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 0.00 216 I 8.19 4.55 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.52 0.90 0.00 0.00 217 P 0.00 4.33 0.00 2.25 2.15 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 *219 A 8.09 4.05 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 0.00 220 G 8.27 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 0.00 221 S 8.47 4.47 0.00 3.99 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 0.00 222 V 7.38 4.33 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 0.77 0.00 0.00 0.93 0.00 0.00 223 S 7.76 4.23 0.00 3.99 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 S 8.30 5.06 0.00 3.91 3.79 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 0.00 225 L 8.04 4.74 0.00 1.55 1.52 0.93 0.95 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 0.00 226 N 8.59 4.65 0.00 2.80 2.68 0.00 0.00 6.94 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 0.00 227 V 8.36 3.63 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 0.93 0.00 0.00 228 S 8.14 4.26 0.00 4.08 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 V 7.80 3.72 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 1.09 0.00 0.00 1.01 0.00 0.00 230 A 8.09 3.97 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 0.00 231 T 8.32 3.93 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 1.22 0.00 0.00 232 G 7.82 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 0.00 233 I 8.01 3.89 2.05 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 1.57 1.53 0.98 0.00 0.00 234 C 8.34 4.16 0.00 3.20 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 0.00 235 L 8.42 4.08 0.00 2.12 1.76 0.73 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 236 F 9.03 3.89 0.00 3.29 3.23 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 0.00 237 E 8.29 4.08 0.00 2.34 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 2.38 2.47 0.00 238 A 8.02 3.95 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 0.00 239 V 7.73 3.41 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.59 0.00 0.00 240 R 8.26 4.04 0.00 2.10 2.22 0.00 3.18 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 241 Q 8.02 4.12 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 242 R 8.04 4.28 0.00 1.51 1.73 0.00 2.21 0.00 0.00 2.49 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.60 0.00 243 S 7.68 4.32 0.00 3.93 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 * Residues marked with a * may have inaccurate shift predictions.