NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 V 4.1824 8.0549 114.0693 60.2771 34.0497 175.5437 25 P 4.6958 0.0000 0.0000 60.1889 33.2368 173.5225 26 N 4.9527 9.1080 119.5013 52.9420 40.1375 174.4917 27 E 4.2590 7.9920 117.3864 54.8400 30.5469 175.4637 28 P 4.5728 0.0000 0.0000 63.2617 32.4717 176.0413 29 I 4.3384 8.2742 122.4714 59.9939 41.7240 173.5722 30 N 5.2539 8.4821 124.5598 51.2190 39.8638 174.7883 31 W 4.0426 9.4523 135.0000 57.6443 31.1388 175.3835 32 G 3.5760 6.3416 114.0116 44.9282 0.0000 171.7530 33 F 4.2688 6.7029 111.9297 55.5055 39.6321 173.9489 34 K 4.0090 8.5660 121.9871 56.0683 32.4193 177.6689 35 R 4.3525 8.3466 122.3037 56.0471 30.7034 176.3752 36 S 4.2684 8.6413 114.4863 58.3710 63.2414 173.6183 37 V 4.3682 7.9361 125.6657 62.2551 34.1034 174.7255 38 N 4.0365 9.6520 120.7531 54.3960 36.1020 173.9130 39 H 4.9649 8.0725 110.6955 57.0455 25.9552 174.4893 40 Q 4.7222 7.8195 117.3565 53.3019 30.5025 174.3220 41 P 4.1023 0.0000 0.0000 62.2583 31.9327 174.6141 42 P 4.6920 0.0000 0.0000 61.7984 32.5528 175.1042 43 D 4.8758 8.2504 117.5640 52.8605 43.6818 174.8329 44 A 3.9668 8.9493 128.5947 52.2707 19.1567 178.3170 45 G 4.0742 9.6589 103.8218 45.4886 0.0000 174.9736 46 K 3.9073 8.7811 120.0319 59.6537 32.0359 179.1762 47 Q 4.0140 8.2060 117.4414 59.4406 28.5728 179.1037 48 L 4.1125 7.8263 120.2623 58.2416 42.2321 178.5395 49 N 4.5676 8.8699 116.9080 56.6173 38.6258 177.6143 50 S 4.1751 8.8615 116.8670 61.3467 62.7150 176.5095 51 L 4.1322 7.8483 122.0708 58.2213 42.2401 178.7231 52 I 4.0352 8.2483 120.0021 64.6915 37.1994 177.9716 53 E 4.0107 8.5600 120.1125 59.3017 29.1371 178.6854 54 K 3.8204 7.7981 118.4999 58.6004 31.9649 176.7921 55 Y 4.5163 7.6814 114.7847 57.2749 38.5090 175.8803 56 D 4.5480 8.0509 117.0055 55.1528 38.9783 173.9976 57 A 4.2531 7.6141 121.6331 51.1528 19.4245 177.4981 58 F 4.9835 7.0972 113.0621 55.9065 40.6028 174.3679 59 Y 4.7497 8.2797 117.1846 56.4153 39.1001 175.1557 60 L 4.9090 7.5443 119.2923 53.0655 45.4449 177.1377 61 G 3.7977 8.9422 111.0274 46.0531 0.0000 174.5726 62 N 4.7734 9.1964 124.9077 53.1737 39.1738 176.5374 63 T 4.4772 8.4792 115.0316 61.7831 69.2758 175.1761 64 K 4.5176 8.3653 121.2773 56.0353 32.2468 175.7537 65 E 4.6825 7.4700 114.4489 54.8342 32.9679 176.1658 66 K 4.2592 8.2595 120.5635 56.4432 29.8506 175.5990 67 T 4.9686 7.7012 118.1873 61.5403 72.7279 173.9459 68 I 4.7462 7.9935 125.1347 59.4676 41.4983 173.9765 69 Y 5.4489 8.6107 122.4858 55.3385 41.1953 174.6073 70 L 4.8465 8.6792 124.8153 53.9197 43.2633 175.8943 71 T 5.0889 8.4511 113.1531 59.9156 72.6231 172.8251 72 F 5.4545 9.3332 120.3801 54.8064 43.5398 173.3499 73 D 5.2396 8.5757 121.2777 52.7721 42.8221 175.7717 74 N 4.4293 9.4082 121.1246 51.5919 40.4269 174.8945 75 G 3.9045 8.4675 113.1448 46.5835 0.0000 171.3020 76 Y 5.0519 7.2047 114.9681 56.2896 40.4503 172.8014 77 E 4.7626 8.9291 121.0650 54.7630 31.3625 174.7660 78 N 4.9255 8.8617 122.4007 53.2941 39.7438 174.7306 79 G 3.7408 8.6468 102.8684 45.6153 0.0000 174.4660 80 Y 4.8478 7.5219 115.6893 58.0136 39.4022 177.6425 81 T 3.9121 8.2667 117.7168 66.0665 68.4493 174.4195 82 P 4.2518 0.0000 0.0000 65.6188 31.2902 178.7607 83 K 4.0027 8.0313 116.7325 59.3721 32.0947 179.3387 84 V 3.6296 7.9296 118.5953 66.1148 31.4113 178.1405 85 L 3.9828 8.3668 119.0730 57.8155 41.4106 179.2332 86 D 4.3618 8.3519 119.0968 57.2077 40.8409 178.9552 87 V 3.5806 8.1743 119.1613 66.0970 31.5415 178.1317 88 L 4.0504 8.0687 118.7081 57.5655 41.3966 179.4902 89 K 3.9630 8.1623 119.7423 59.2442 31.9409 178.6821 90 K 3.8285 7.8914 118.8261 59.8103 32.2465 177.7428 91 H 4.4846 7.8537 112.4901 54.9225 29.5830 174.8730 92 R 3.7474 7.6193 120.3617 57.5207 28.8306 175.6340 93 V 4.4556 8.0935 116.1172 61.4496 33.9146 175.3532 94 T 4.5345 8.6532 124.3579 62.4954 69.3410 174.7893 95 G 4.0798 9.1234 113.9696 45.4901 0.0000 172.0683 96 T 4.9811 8.2424 116.2403 61.6446 71.7050 173.3575 97 F 5.0866 9.4340 126.7460 55.8109 41.2345 175.4876 98 F 4.8775 9.7680 125.4829 56.8368 39.4895 175.4774 99 V 4.9049 8.5229 117.7500 59.9387 34.6128 175.9482 100 T 5.4490 7.6628 113.7310 59.6246 71.2852 176.0932 101 G 2.2947 8.2761 108.4444 47.6979 0.0000 175.4578 102 H 3.9865 7.7785 120.2120 58.7886 29.9013 176.9393 103 F 4.0267 7.9962 122.3657 61.1912 39.0416 177.2076 104 V 3.4928 7.4663 116.0988 66.1563 31.4708 177.9651 105 K 4.0724 7.8280 116.6707 59.2091 31.8953 178.4563 106 D 4.3887 8.0224 117.8776 55.4803 42.5567 176.2866 107 Q 4.4505 7.8849 117.5951 53.1351 29.3489 174.3193 108 P 4.1512 0.0000 0.0000 66.1472 31.8060 178.6418 109 Q 3.9285 7.8865 115.9806 58.8358 28.6072 178.6033 110 L 3.9125 7.6828 119.6645 57.6460 41.6862 179.3765 111 I 3.6799 7.6588 119.9601 64.1488 36.9692 178.3721 112 K 3.8967 8.1864 120.7504 59.4702 32.0264 179.1100 113 R 3.8409 8.1293 118.4779 59.4285 30.0110 178.6963 114 M 3.9252 8.0029 118.5719 58.5235 31.7274 178.8511 115 S 4.0657 7.9520 112.7992 61.6938 62.4533 175.9581 116 D 4.3970 8.5557 120.3916 56.7684 40.4819 177.5343 117 E 4.5335 8.4038 117.7450 55.9302 29.9642 177.2139 118 G 3.8551 7.7012 106.5872 45.6634 0.0000 173.9068 119 H 4.9142 7.8217 116.4349 55.2304 30.5006 174.5416 120 I 4.7523 8.7099 120.8478 60.0970 39.2222 175.0835 121 I 4.7444 9.3848 128.5072 59.9669 38.4502 175.9025 122 G 3.6868 8.7471 115.4774 44.8381 0.0000 171.0325 123 N 5.3691 9.6471 119.0861 51.9391 40.6251 174.4045 124 H 5.5273 9.0012 125.9192 55.7090 31.0933 172.8829 125 S 4.3876 9.1542 112.9758 57.1893 64.3896 171.3967 126 F 3.7897 9.1989 124.1877 61.5766 39.1502 176.5731 127 H 4.8100 9.2300 114.0911 54.9822 29.2776 174.0252 128 H 3.8753 8.2205 118.6596 56.4448 28.4175 172.1540 129 P 4.6069 0.0000 0.0000 61.2870 33.8761 173.9988 130 D 4.6090 8.3406 117.7153 53.3550 41.3891 177.0997 131 L 4.2231 8.5022 127.3721 57.2441 41.9700 179.0563 132 T 4.2673 8.4312 108.6101 63.6383 68.9612 175.2431 133 T 4.4117 7.6957 111.0665 61.2809 69.1512 174.4178 134 K 4.8871 7.6419 121.2914 54.9365 34.9174 176.6032 135 T 4.4236 9.1111 112.6363 60.7963 71.1949 175.7974 136 A 4.0147 8.6459 123.2219 55.8301 18.4639 179.8307 137 D 4.3171 8.1112 116.6140 57.3789 40.8297 179.0049 138 Q 3.9940 7.9285 118.2745 59.0244 28.7986 178.5681 139 I 3.6857 8.4457 121.2580 64.3982 37.0352 178.2314 140 Q 3.9495 8.3132 120.5440 59.2941 28.8640 177.9608 141 D 4.2917 8.0632 118.7486 57.3233 41.2155 177.7869 142 E 4.0498 8.5730 119.5662 59.4039 29.3063 179.4462 143 L 4.0165 7.8792 118.5903 57.6833 41.9221 178.7298 144 D 4.4676 8.3789 118.1625 57.6203 41.2272 178.4160 145 S 4.1611 8.3878 115.7173 61.4201 62.6383 177.0034 146 V 3.8002 7.8816 120.8990 66.2985 31.4307 177.8723 147 N 4.4294 8.3168 115.7820 56.2154 38.4023 176.7096 148 E 3.9738 8.6554 121.1597 59.4140 29.7997 178.6718 149 E 4.0085 8.2575 118.7882 59.2524 29.7924 178.7382 150 V 3.6297 8.1500 118.5600 66.2573 31.5885 177.3517 151 Y 4.0296 8.6570 119.5744 60.5651 38.4291 177.6936 152 K 4.0134 8.0359 119.5308 59.7818 32.2645 178.4534 153 I 3.9134 7.5495 119.0785 63.7977 37.2877 177.5258 154 T 4.3587 8.2025 108.1681 60.5035 69.8671 175.6314 155 G 3.0709 7.7861 109.0643 45.2813 0.0000 172.7665 156 K 4.6652 7.2577 117.5642 54.5687 35.8284 175.7655 157 Q 4.4171 8.2393 120.2018 55.3320 31.0215 173.7875 158 D 4.7010 8.5873 125.5449 53.5228 41.8345 175.7898 159 N 4.2179 8.3769 117.5961 53.3883 39.0208 175.4125 160 L 4.0034 7.8538 121.1708 54.8144 42.0102 175.3682 161 Y 5.4536 8.5737 121.6850 55.9897 41.8019 174.5784 162 L 5.2792 9.6689 125.2849 53.2659 45.5714 175.0001 163 R 4.3688 8.7435 126.4913 53.5211 31.8634 173.3973 164 P 4.1214 0.0000 0.0000 62.2948 31.7124 174.3233 165 P 4.0468 0.0000 0.0000 64.0481 31.5721 176.8262 166 R 3.8957 9.0916 121.3400 56.4226 28.5638 176.8916 167 G 4.3598 8.4123 103.8816 45.9091 0.0000 173.3064 168 V 4.8724 7.4167 119.1867 61.9700 32.8097 175.1628 169 F 5.1016 8.7061 122.1974 57.3498 41.5369 172.6761 170 S 4.7013 8.6016 110.9660 56.9693 65.3932 176.1335 171 E 3.8444 8.8298 120.5021 59.5385 29.2661 177.9499 172 Y 4.0798 8.0590 119.6098 60.7748 38.8684 178.4149 173 V 3.1066 7.7155 119.0980 65.6016 31.5841 178.0385 174 L 3.7990 7.8853 118.8433 57.4747 41.3959 179.2758 175 K 3.8128 7.4918 119.6877 59.4350 32.2706 178.3615 176 E 3.8228 7.8775 119.6293 59.5360 29.5608 178.8819 177 T 3.8732 7.7378 109.8158 64.6766 68.7066 176.3364 178 K 4.2665 8.2094 123.9165 58.7458 32.0158 178.8319 179 R 4.0106 8.0172 118.2452 58.6700 30.0125 177.4138 180 L 4.5400 7.5373 116.5413 54.3755 41.8783 177.4432 181 G 3.8375 8.1550 107.5127 45.2634 0.0000 173.0833 182 Y 4.4305 8.1136 118.3007 56.9023 39.8537 174.3621 183 Q 4.3440 8.9373 126.0416 55.3831 30.3230 174.4769 184 T 4.5422 8.2953 123.6711 62.6912 70.2447 173.7721 185 V 3.6703 8.1942 126.3627 60.8130 33.2114 174.8164 186 F 4.8526 7.9268 130.8362 56.6448 40.7814 174.7189 187 W 5.2667 7.6890 121.1554 56.7881 30.7070 174.3026 188 S 4.2004 9.4752 111.6245 57.6630 64.0613 174.2915 189 V 4.9194 7.9583 120.7128 61.7195 34.5251 173.3830 190 A 4.8070 8.8140 127.3126 51.7411 22.6077 174.8365 191 F 4.7080 7.6452 113.5128 55.8283 40.5067 175.0495 192 V 3.6309 8.4674 121.1653 62.2743 29.4688 174.3913 193 D 5.0813 8.3585 125.4298 52.3215 39.8264 176.8104 194 W 4.7368 7.3327 113.2754 56.4356 29.1923 175.0083 195 K 4.3078 7.2423 120.0974 55.3701 31.3383 177.4491 196 I 3.8881 8.4018 126.3968 63.9155 37.3047 177.2229 197 N 4.5917 8.0457 115.3964 54.1430 38.0689 175.0205 198 N 4.8000 7.5126 117.1264 52.5406 39.3148 173.7925 199 Q 4.1898 7.7498 117.3011 54.9395 28.6593 176.8456 200 K 3.8780 8.2866 123.1516 57.3625 32.3394 177.8680 201 G 3.9263 8.0913 105.0331 44.3764 0.0000 174.1251 202 K 3.8641 8.6405 118.0261 59.5088 32.0278 178.0893 203 K 3.8925 8.1633 119.2118 59.8862 31.5757 177.4679 204 Y 3.9582 8.2334 118.7658 60.9434 38.6533 178.1058 205 A 3.6433 7.7939 121.0595 54.9520 18.5927 178.9145 206 Y 3.9553 8.2822 118.2949 61.0511 38.8680 178.1580 207 D 4.0863 8.5144 120.0895 57.5464 40.7739 178.5405 208 H 3.8372 7.2087 116.0783 59.0057 28.3190 177.8409 209 M 4.1472 7.4556 119.3106 58.0694 31.5318 178.7334 210 I 3.8309 7.2816 119.9927 64.0226 37.2159 178.4660 211 K 3.9737 7.9154 118.1136 59.7314 31.8718 178.4893 212 Q 4.1840 8.0825 114.5137 56.5849 29.1640 176.4739 213 A 4.1520 7.8338 121.4513 52.1139 19.2185 176.3074 214 H 5.3765 8.1988 115.7148 53.4789 31.6597 171.3406 215 P 4.5871 0.0000 0.0000 64.1167 31.8426 177.7429 216 G 4.1619 9.1536 109.6121 45.4637 0.0000 173.0551 217 A 4.3877 7.8997 122.6982 52.1857 19.7616 177.0359 218 I 5.0214 9.1932 124.1450 59.9186 38.8470 174.7544 219 Y 4.8150 9.1768 126.0194 57.4796 39.4434 174.8251 220 L 4.8622 8.5371 125.0059 52.4210 44.0494 175.4243 221 L 4.7661 8.2725 125.7523 53.1905 45.8235 175.4067 222 H 5.1965 9.5382 118.0988 53.9637 31.9337 174.1371 223 T 4.9101 8.3408 106.7805 61.8650 69.1247 175.1276 224 V 4.3332 8.0645 116.0445 62.7437 33.2605 176.4302 225 S 4.6825 7.8602 114.2906 56.7695 63.2630 172.9653 226 R 3.6269 8.4954 125.6754 58.1418 30.2389 175.9373 227 D 5.2186 8.6061 121.8947 54.5419 38.8709 175.3120 228 N 4.4089 7.6318 119.9421 56.0140 36.9701 176.9751 229 A 4.0692 7.8036 122.6519 55.1017 18.5963 179.3294 230 E 3.9254 8.1413 116.4818 59.3235 29.5368 179.2018 231 A 4.1100 8.2477 121.0164 55.0983 18.3850 179.4672 232 L 3.9872 8.1862 118.8967 58.1836 42.2055 178.5074 233 D 4.4046 8.4272 118.2857 57.7409 41.1701 178.1901 234 D 4.4074 8.3679 119.0091 57.2485 40.8074 178.6380 235 A 4.1618 8.6177 121.7221 55.2621 18.3850 179.8347 236 I 3.5453 8.0414 118.6161 64.6211 36.7997 178.5475 237 T 3.8687 7.8121 116.5758 67.1235 68.4973 176.2966 238 D 4.4987 8.7107 120.7564 57.1059 40.9264 178.9038 239 L 4.1789 8.7166 120.0553 57.6509 41.4893 179.6556 240 K 4.4309 8.4062 119.9838 59.0300 31.8027 179.5333 241 K 4.0146 7.6974 117.4439 59.4157 32.0630 178.7120 242 Q 4.2995 7.7860 115.5624 56.5986 28.7277 176.8145 243 G 3.9219 8.1785 109.1471 45.2945 0.0000 172.9594 244 Y 4.5613 7.9787 117.0527 56.9736 39.9255 174.6416 245 T 4.7040 8.8610 119.1545 61.8506 71.6529 173.2328 246 F 4.8183 8.8662 124.3742 56.0697 40.5645 175.2695 247 K 4.8494 8.6758 122.9995 54.5660 36.2602 175.7173 248 S 5.1684 9.1227 116.6097 56.9534 65.1464 175.4724 249 I 3.6117 7.7280 120.9526 64.3502 36.4554 178.6266 250 D 4.6227 7.9348 120.8690 56.9579 40.7508 178.2698 251 D 4.4892 8.3571 119.5684 57.1612 40.6408 178.5617 252 L 3.8963 8.1416 120.9801 58.3744 41.8277 178.9200 253 M 4.0383 7.9292 117.1869 58.3464 32.1272 178.1785 254 F 4.4673 8.4263 120.6588 61.6306 39.4167 177.1102 255 E 3.8220 8.3239 116.7040 58.4333 29.3014 178.5358 256 K 4.2047 7.3526 116.7316 57.4507 33.2727 178.1539 257 E 3.8800 7.5628 123.4065 60.0248 29.7416 176.6930 *258 M 4.2790 7.8703 119.5665 54.6926 32.2267 176.6763 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 24 V 8.05 4.18 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 1.04 0.00 0.00 1.09 0.00 0.00 25 P 0.00 4.70 0.00 2.28 1.96 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 2.09 2.17 0.00 26 N 9.11 4.95 0.00 2.48 2.64 0.00 0.00 7.06 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 27 E 7.99 4.26 0.00 1.97 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 0.00 2.28 2.25 0.00 28 P 0.00 4.57 0.00 1.87 1.95 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 29 I 8.27 4.34 0.56 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.60 0.53 0.00 0.00 30 N 8.48 5.25 0.00 2.54 2.76 0.00 0.00 7.05 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 31 W 9.45 4.04 0.00 3.01 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 32 G 6.34 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 33 F 6.70 4.27 0.00 2.86 2.37 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 34 K 8.57 4.01 0.00 1.78 1.80 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.39 7.81 35 R 8.35 4.35 0.00 1.83 1.96 0.00 3.21 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 36 S 8.64 4.27 0.00 3.75 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 37 V 7.94 4.37 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 0.98 0.00 0.00 0.98 0.00 0.00 38 N 9.65 4.04 0.00 2.90 2.88 0.00 0.00 7.04 8.16 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 39 H 8.07 4.96 0.00 3.40 3.56 0.00 5.73 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 7.82 4.72 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.85 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 41 P 0.00 4.10 0.00 2.06 2.04 0.00 3.70 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 2.07 2.36 0.00 42 P 0.00 4.69 0.00 1.94 2.34 0.00 3.59 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 43 D 8.25 4.88 0.00 2.64 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 44 A 8.95 3.97 0.74 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 45 G 9.66 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 46 K 8.78 3.91 0.00 1.83 1.92 0.00 1.71 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.57 7.81 47 Q 8.21 4.01 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 48 L 7.83 4.11 0.00 1.82 1.69 1.05 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 49 N 8.87 4.57 0.00 3.01 2.97 0.00 0.00 7.04 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 50 S 8.86 4.18 0.00 4.06 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 51 L 7.85 4.13 0.00 1.81 2.04 1.24 1.44 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 52 I 8.25 4.04 2.33 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.70 1.10 0.00 0.00 53 E 8.56 4.01 0.00 2.07 2.29 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 2.31 2.34 0.00 54 K 7.80 3.82 0.00 2.11 1.36 0.00 1.05 0.00 0.00 1.46 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.54 7.81 55 Y 7.68 4.52 0.00 3.19 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.05 4.55 0.00 2.93 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 57 A 7.61 4.25 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 58 F 7.10 4.98 0.00 3.00 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 59 Y 8.28 4.75 0.00 3.03 2.46 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 60 L 7.54 4.91 0.00 1.12 1.43 0.80 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.94 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 9.20 4.77 0.00 2.89 2.81 0.00 0.00 7.39 6.86 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 63 T 8.48 4.48 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 64 K 8.37 4.52 0.00 1.92 1.84 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.34 7.81 65 E 7.47 4.68 0.00 2.02 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 0.00 2.30 2.26 0.00 66 K 8.26 4.26 0.00 1.43 1.32 0.00 1.21 0.00 0.00 0.94 0.00 0.00 2.25 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.51 1.09 7.81 67 T 7.70 4.97 4.08 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 0.52 0.00 0.00 68 I 7.99 4.75 0.72 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.18 0.23 0.00 0.00 69 Y 8.61 5.45 0.00 2.90 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 70 L 8.68 4.85 0.00 1.64 1.39 0.84 0.40 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 71 T 8.45 5.09 4.55 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 1.34 0.00 0.00 72 F 9.33 5.45 0.00 2.69 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.58 5.24 0.00 2.23 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 N 9.41 4.43 0.00 1.81 1.42 0.00 0.00 6.41 7.58 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 75 G 8.47 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 0.00 0.00 0.00 76 Y 7.20 5.05 0.00 3.19 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 77 E 8.93 4.76 0.00 2.03 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 2.19 2.41 0.00 78 N 8.86 4.93 0.00 2.86 2.91 0.00 0.00 7.25 7.98 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 79 G 8.65 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 0.00 0.00 0.00 80 Y 7.52 4.85 0.00 3.31 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 81 T 8.27 3.91 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 1.10 0.00 0.00 82 P 0.00 4.25 0.00 2.16 2.09 0.00 3.55 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 2.10 2.16 0.00 83 K 8.03 4.00 0.00 2.10 1.92 0.00 1.75 0.00 0.00 1.83 0.00 0.00 3.16 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.58 1.58 7.81 84 V 7.93 3.63 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 0.83 0.00 0.00 1.04 0.00 0.00 85 L 8.37 3.98 0.00 1.80 1.65 0.74 0.65 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 86 D 8.35 4.36 0.00 2.83 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 87 V 8.17 3.58 2.27 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 1.10 0.00 0.00 1.07 0.00 0.00 88 L 8.07 4.05 0.00 1.94 2.02 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.16 3.96 0.00 1.96 1.96 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 90 K 7.89 3.83 0.00 1.73 1.91 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.22 1.40 7.81 91 H 7.85 4.48 0.00 3.13 3.21 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.62 3.75 0.00 1.93 1.96 0.00 3.23 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 93 V 8.09 4.46 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 0.81 0.00 0.00 0.71 0.00 0.00 94 T 8.65 4.53 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 1.32 0.00 0.00 95 G 9.12 4.08 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 0.00 96 T 8.24 4.98 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 0.62 0.00 0.00 97 F 9.43 5.09 0.00 2.88 2.89 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 98 F 9.77 4.88 0.00 3.08 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 99 V 8.52 4.90 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.09 0.00 0.00 100 T 7.66 5.45 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 1.33 0.00 0.00 101 G 8.28 2.29 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 0.00 102 H 7.78 3.99 0.00 3.18 3.31 0.00 5.68 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 0.00 103 F 8.00 4.03 0.00 3.44 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 0.00 104 V 7.47 3.49 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 0.92 0.00 0.00 1.11 0.00 0.00 105 K 7.83 4.07 0.00 1.69 1.84 0.00 1.95 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.62 7.81 106 D 8.02 4.39 0.00 2.37 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.88 4.45 0.00 1.06 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.50 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 108 P 0.00 4.15 0.00 2.08 2.06 0.00 3.48 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 109 Q 7.89 3.93 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 110 L 7.68 3.91 0.00 1.67 1.68 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.66 3.68 2.01 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.86 0.91 0.00 0.00 112 K 8.19 3.90 0.00 1.96 1.90 0.00 1.47 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.64 7.81 113 R 8.13 3.84 0.00 1.96 1.89 0.00 3.15 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 114 M 8.00 3.93 0.00 1.91 2.17 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 1.62 0.00 115 S 7.95 4.07 0.00 3.89 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 0.00 116 D 8.56 4.40 0.00 2.66 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 0.00 117 E 8.40 4.53 0.00 2.02 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 2.28 2.38 0.00 118 G 7.70 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 H 7.82 4.91 0.00 3.32 3.75 0.00 5.84 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.71 4.75 1.86 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 1.31 0.71 1.01 0.00 0.00 121 I 9.38 4.74 2.02 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 1.21 0.61 0.98 0.00 0.00 122 G 8.75 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 0.00 0.00 0.00 123 N 9.65 5.37 0.00 3.07 2.88 0.00 0.00 7.05 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 0.00 124 H 9.00 5.53 0.00 3.26 3.34 0.00 6.09 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 S 9.15 4.39 0.00 4.22 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 0.00 126 F 9.20 3.79 0.00 3.25 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 0.00 127 H 9.23 4.81 0.00 3.30 3.41 0.00 6.06 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 H 8.22 3.88 0.00 3.24 3.35 0.00 5.74 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.61 0.00 2.24 2.12 0.00 3.83 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 130 D 8.34 4.61 0.00 2.71 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 0.00 131 L 8.50 4.22 0.00 1.78 1.70 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 132 T 8.43 4.27 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 1.31 0.00 0.00 133 T 7.70 4.41 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 134 K 7.64 4.89 0.00 1.95 1.78 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.59 1.51 7.81 135 T 9.11 4.42 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 1.26 0.00 0.00 136 A 8.65 4.01 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.11 4.32 0.00 2.75 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 0.00 138 Q 7.93 3.99 0.00 2.46 2.17 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 2.39 2.42 0.00 139 I 8.45 3.69 1.99 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.91 0.80 0.00 0.00 140 Q 8.31 3.95 0.00 2.13 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 141 D 8.06 4.29 0.00 2.87 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.57 4.05 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 143 L 7.88 4.02 0.00 1.63 1.43 -0.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.38 4.47 0.00 2.87 2.77 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 0.00 145 S 8.39 4.16 0.00 4.00 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 0.00 146 V 7.88 3.80 2.45 0.00 0.00 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 1.13 0.00 0.00 147 N 8.32 4.43 0.00 2.98 2.95 0.00 0.00 6.66 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 0.00 148 E 8.66 3.97 0.00 2.09 2.18 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 2.34 2.43 0.00 149 E 8.26 4.01 0.00 2.35 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 150 V 8.15 3.63 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 0.90 0.00 0.00 1.04 0.00 0.00 151 Y 8.66 4.03 0.00 3.15 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 0.00 152 K 8.04 4.01 0.00 1.90 2.09 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.55 7.81 153 I 7.55 3.91 2.02 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 1.56 0.77 0.91 0.00 0.00 154 T 8.20 4.36 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 155 G 7.79 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 0.00 0.00 0.00 156 K 7.26 4.67 0.00 1.69 1.69 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.46 7.81 157 Q 8.24 4.42 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.04 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 158 D 8.59 4.70 0.00 2.87 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 0.00 159 N 8.38 4.22 0.00 2.54 2.31 0.00 0.00 6.93 7.85 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 0.00 160 L 7.85 4.00 0.00 1.22 0.61 0.73 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 161 Y 8.57 5.45 0.00 2.95 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 0.00 162 L 9.67 5.28 0.00 1.66 1.47 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 163 R 8.74 4.37 0.00 0.67 1.17 0.00 2.99 0.00 0.00 2.87 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.35 0.00 164 P 0.00 4.12 0.00 2.44 2.28 0.00 3.45 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 165 P 0.00 4.05 0.00 2.32 1.56 0.00 3.66 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 2.05 2.16 0.00 166 R 9.09 3.90 0.00 1.86 2.04 0.00 3.33 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 167 G 8.41 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 0.00 168 V 7.42 4.87 2.14 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 0.86 0.00 0.00 1.07 0.00 0.00 169 F 8.71 5.10 0.00 3.15 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 0.00 170 S 8.60 4.70 0.00 3.94 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 0.00 171 E 8.83 3.84 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 172 Y 8.06 4.08 0.00 3.12 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 0.00 173 V 7.72 3.11 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.96 0.00 0.00 174 L 7.89 3.80 0.00 1.21 1.22 1.13 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 175 K 7.49 3.81 0.00 1.65 1.81 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.75 7.81 176 E 7.88 3.82 0.00 1.75 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 177 T 7.74 3.87 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 178 K 8.21 4.27 0.00 2.01 2.14 0.00 2.04 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.52 1.37 7.81 179 R 8.02 4.01 0.00 2.03 2.12 0.00 3.33 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 180 L 7.54 4.54 0.00 2.11 1.91 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 181 G 8.15 3.84 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 0.00 0.00 0.00 182 Y 8.11 4.43 0.00 3.14 2.89 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 0.00 183 Q 8.94 4.34 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.94 0.00 0.00 0.00 0.00 0.00 2.74 2.51 0.00 184 T 8.30 4.54 3.86 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 0.19 0.00 0.00 185 V 8.19 3.67 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 0.67 0.00 0.00 0.78 0.00 0.00 186 F 7.93 4.85 0.00 1.83 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 W 7.69 5.27 0.00 3.63 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 0.00 188 S 9.48 4.20 0.00 3.87 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 0.00 189 V 7.96 4.92 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.77 0.00 0.00 190 A 8.81 4.81 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 F 7.65 4.71 0.00 2.95 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 0.00 192 V 8.47 3.63 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 -0.07 0.00 0.00 0.90 0.00 0.00 193 D 8.36 5.08 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 0.00 194 W 7.33 4.74 0.00 3.40 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 0.00 195 K 7.24 4.31 0.00 1.45 1.58 0.00 1.20 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.96 0.21 7.81 196 I 8.40 3.89 1.95 0.00 0.00 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 1.68 0.94 1.00 0.00 0.00 197 N 8.05 4.59 0.00 2.82 2.94 0.00 0.00 5.72 8.04 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 0.00 198 N 7.51 4.80 0.00 2.48 2.56 0.00 0.00 7.18 7.24 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 0.00 199 Q 7.75 4.19 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.21 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 200 K 8.29 3.88 0.00 1.34 1.60 0.00 0.61 0.00 0.00 0.83 0.00 0.00 2.71 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.15 1.22 7.81 201 G 8.09 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 0.00 0.00 0.00 202 K 8.64 3.86 0.00 1.84 1.83 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.61 7.81 203 K 8.16 3.89 0.00 1.89 1.88 0.00 1.82 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.60 7.81 204 Y 8.23 3.96 0.00 3.15 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 0.00 205 A 7.79 3.64 1.60 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 0.00 206 Y 8.28 3.96 0.00 3.12 3.21 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 0.00 207 D 8.51 4.09 0.00 2.42 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 H 7.21 3.84 0.00 2.00 2.33 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 M 7.46 4.15 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.94 0.00 210 I 7.28 3.83 1.54 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 0.75 0.50 0.84 0.00 0.00 211 K 7.92 3.97 0.00 1.66 1.79 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.39 7.81 212 Q 8.08 4.18 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 213 A 7.83 4.15 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 0.00 214 H 8.20 5.38 0.00 3.38 3.44 0.00 5.47 0.00 0.00 0.00 0.00 6.79 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 4.59 0.00 2.39 2.11 0.00 3.80 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 216 G 9.15 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 0.00 217 A 7.90 4.39 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 0.00 218 I 9.19 5.02 2.24 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 1.33 0.78 1.16 0.00 0.00 219 Y 9.18 4.81 0.00 2.84 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 0.00 220 L 8.54 4.86 0.00 1.31 1.14 -0.56 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 221 L 8.27 4.77 0.00 1.11 1.46 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 222 H 9.54 5.20 0.00 3.15 3.26 0.00 5.79 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 T 8.34 4.91 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 1.34 0.00 0.00 224 V 8.06 4.33 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 0.27 0.00 0.00 1.03 0.00 0.00 225 S 7.86 4.68 0.00 4.16 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 0.00 226 R 8.50 3.63 0.00 2.06 1.84 0.00 3.52 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 227 D 8.61 5.22 0.00 2.87 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 0.00 228 N 7.63 4.41 0.00 3.03 3.20 0.00 0.00 6.89 7.94 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 0.00 229 A 7.80 4.07 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 0.00 230 E 8.14 3.93 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 231 A 8.25 4.11 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 0.00 0.00 0.00 0.00 0.00 232 L 8.19 3.99 0.00 2.03 1.98 1.00 1.12 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 0.00 233 D 8.43 4.40 0.00 2.93 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 0.00 234 D 8.37 4.41 0.00 2.95 2.60 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 0.00 235 A 8.62 4.16 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 I 8.04 3.55 1.40 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 0.50 0.44 0.17 0.00 0.00 237 T 7.81 3.87 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 1.26 0.00 0.00 238 D 8.71 4.50 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 0.00 239 L 8.72 4.18 0.00 1.96 1.67 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 240 K 8.41 4.43 0.00 2.19 1.95 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.67 1.71 7.81 241 K 7.70 4.01 0.00 1.96 1.92 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.75 7.81 242 Q 7.79 4.30 0.00 2.40 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.88 0.00 0.00 0.00 0.00 0.00 2.44 2.66 0.00 243 G 8.18 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 0.00 0.00 0.00 244 Y 7.98 4.56 0.00 2.93 2.37 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 0.00 245 T 8.86 4.70 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 1.20 0.00 0.00 246 F 8.87 4.82 0.00 2.87 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 0.00 247 K 8.68 4.85 0.00 1.53 1.92 0.00 1.66 0.00 0.00 1.92 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.24 7.81 248 S 9.12 5.17 0.00 4.04 4.08 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 0.00 249 I 7.73 3.61 1.45 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 1.47 0.70 0.29 0.00 0.00 250 D 7.93 4.62 0.00 2.76 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 0.00 251 D 8.36 4.49 0.00 3.09 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 0.00 252 L 8.14 3.90 0.00 1.36 1.62 -0.08 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 253 M 7.93 4.04 0.00 2.17 2.43 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.09 3.06 0.00 254 F 8.43 4.47 0.00 3.16 3.31 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 0.00 255 E 8.32 3.82 0.00 2.09 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 0.00 2.45 2.65 0.00 256 K 7.35 4.20 0.00 1.75 1.77 0.00 1.36 0.00 0.00 1.24 0.00 0.00 2.86 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.51 1.32 7.81 257 E 7.56 3.88 0.00 1.87 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 0.00 2.19 2.26 0.00 *258 M 7.87 4.28 0.00 1.82 1.86 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 * Residues marked with a * may have inaccurate shift predictions.