NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.2432 8.1849 122.4892 55.1442 43.7820 178.0412 4 S 3.8836 7.9568 111.9952 59.4207 63.4844 173.9286 5 Q 3.5413 7.7960 122.1565 58.7756 29.9958 177.9496 6 E 3.8785 7.6621 113.6318 56.6892 29.3020 178.5089 *8 I 3.7919 7.8913 122.0500 62.0163 39.5068 178.0673 9 K 3.4374 7.5185 120.6262 59.1327 32.0868 178.4679 10 K 3.6899 7.5533 119.9049 59.4794 31.8116 178.5814 11 W 4.2994 7.4746 118.1744 59.8602 29.2198 178.1698 12 L 4.0117 7.7700 118.4265 58.2201 41.0909 179.5277 13 D 4.4536 8.0919 118.3104 57.3565 40.5150 178.6317 14 E 4.0219 7.9584 118.0424 58.6678 29.5073 178.1705 15 E 4.3322 7.7913 115.9491 55.6421 29.9459 175.6473 16 G 4.4295 7.9603 111.3858 46.9749 0.0000 176.8764 17 F 4.0960 7.7049 118.1049 57.1132 39.9314 176.0548 18 L 4.3296 7.7500 119.3182 56.2574 41.9816 175.2897 19 R 4.3971 8.5407 123.2432 57.7622 32.0105 175.7851 *21 E 4.3033 7.9726 116.6367 56.3779 31.0153 174.7140 22 V 4.2910 7.8812 119.0256 59.9559 34.7115 171.7515 23 P 4.3328 0.0000 0.0000 62.7361 30.4023 174.8150 24 D 4.4943 7.7086 118.7307 53.4228 41.8090 176.2956 25 E 4.3310 8.7912 125.1203 57.6879 29.6222 176.7760 26 N 5.1276 9.2190 115.8357 52.6564 40.5888 173.6584 27 A 4.9890 7.8667 120.0825 50.1518 21.9675 177.0056 28 R 4.2749 9.1744 120.9676 58.9101 30.6240 176.9271 29 F 5.0727 7.6334 111.6215 55.9799 42.0816 173.5470 30 H 5.0118 8.7264 118.3106 56.1082 31.6316 170.5440 31 Y 4.7836 9.2091 123.5311 56.3452 40.0490 174.8340 32 V 4.4805 8.5018 124.3575 61.7650 33.0686 175.0371 33 V 4.3496 8.8011 128.8182 62.0491 33.7874 174.2159 34 N 5.9955 8.8749 123.9331 50.5980 39.2196 171.4699 35 Y 4.2425 7.6603 122.8729 54.9683 41.9818 173.4080 36 P 3.7836 0.0000 0.0000 61.4275 33.1071 174.4825 37 E 3.9918 8.3264 119.2595 59.1305 29.4942 177.0218 38 D 4.7889 8.8791 123.2674 54.3375 39.6704 174.0879 39 H 4.4064 7.9035 119.9598 55.6077 31.2183 174.0108 40 V 4.6993 7.8333 124.9424 61.3059 32.9464 174.6151 41 I 4.7600 8.4840 128.4724 59.5720 40.9277 174.1373 42 D 5.1490 9.4793 125.8058 52.6495 43.7426 175.3650 43 I 4.9056 8.6675 124.6144 60.0969 38.8347 174.7954 44 I 4.6511 8.3858 127.8759 59.4709 41.0802 175.3825 45 Q 4.3959 7.9469 123.2164 53.9831 30.9137 171.4210 46 P 4.3923 0.0000 0.0000 59.9706 32.0293 175.7656 47 A 4.0158 8.9185 126.8446 53.9275 18.6225 179.2946 48 G 4.0155 7.5399 102.6332 43.8052 0.0000 174.3903 49 K 4.3778 7.4139 118.1342 55.4147 35.1562 174.7011 50 D 4.4896 8.7371 126.9738 57.1739 41.9417 178.0218 51 D 3.9710 7.4646 118.9013 52.6827 37.7837 174.4566 *53 I 4.1115 7.4498 112.2417 61.5355 40.4042 175.3908 54 L 5.0597 8.8813 124.1667 53.3424 45.3319 175.0464 55 I 4.8630 9.3798 128.1151 59.9075 38.8256 174.3615 56 A 5.1918 9.2771 129.7054 50.1084 22.1007 174.4798 57 C 4.8422 8.9328 121.3619 57.5220 34.1635 172.4505 58 A 4.4720 8.4731 128.0449 51.3867 19.8886 176.5115 59 T 4.4051 8.1871 117.4577 62.0269 72.7257 173.1333 60 S 4.9233 8.5741 122.3899 56.8922 64.9450 173.9000 61 V 4.1621 8.7828 125.4012 61.8437 31.9311 175.9847 62 S 4.2214 9.0391 122.3924 58.3255 63.1150 173.8400 63 P 4.2178 0.0000 0.0000 65.4980 31.2037 178.7850 64 E 4.0271 8.0047 117.3473 59.7784 29.6754 178.6462 65 H 4.1332 7.8894 115.6286 59.0776 28.6795 177.7642 66 Q 3.9974 8.4742 121.0761 58.7636 28.8213 178.1037 67 A 4.1222 8.0374 122.4953 54.8312 18.1652 179.8414 68 G 2.8314 7.3515 103.0730 47.4844 0.0000 175.1974 69 I 3.7977 6.7139 118.5359 62.3430 38.4730 177.5155 70 R 4.0063 7.3230 118.6190 59.6550 29.8586 177.8261 71 A 4.1859 7.6444 118.5440 53.2278 18.4807 177.3835 72 L 4.5809 6.7854 116.2957 53.3033 44.5137 179.3008 73 S 4.6947 8.0597 120.8392 58.4902 61.9879 176.3753 *75 E 4.3573 9.1472 119.1480 56.2439 31.0154 177.6606 76 K 4.2161 7.7773 117.0679 58.8293 31.9736 179.7673 77 R 4.1031 7.8634 119.0234 59.5618 30.1782 178.8631 78 T 3.8714 7.9908 115.0495 66.6514 68.4186 176.0522 79 E 4.2052 8.4768 121.2595 59.4193 29.6148 178.7260 80 F 4.4342 8.2081 120.6814 61.1072 39.4453 177.3471 81 I 3.3256 7.9400 119.6363 64.0855 36.8194 178.3246 82 W 4.0963 7.8884 119.6637 59.6678 28.8376 178.7354 83 K 4.1835 8.0252 118.3235 59.5507 31.5423 179.8087 84 V 3.4553 7.2198 118.9574 64.3428 31.3266 178.8232 85 R 3.8483 7.7183 118.8832 59.2702 29.7272 178.9892 86 F 4.6188 8.1622 116.6023 60.7626 39.0252 177.6887 87 T 4.1015 8.1068 115.4207 66.8752 68.3771 176.8105 88 L 3.9631 7.6244 120.6858 57.4547 41.2523 178.5842 89 N 4.7771 7.8432 114.6908 55.2117 39.0594 175.8701 90 R 4.4240 7.6682 117.2974 56.8928 30.7997 176.4967 91 F 4.2796 8.1749 117.0882 56.5828 39.5100 175.7216 92 G 4.0518 8.2181 108.2879 46.7909 0.0000 173.7509 93 V 4.7346 7.8031 109.6884 59.4719 36.1083 175.3385 94 D 5.2866 9.5362 122.7611 53.3383 43.1303 175.6781 95 F 6.0366 8.1882 114.4859 55.2313 41.4206 173.1810 96 Q 4.5359 8.7665 121.4961 54.4408 31.3482 173.7292 97 L 4.9698 8.5689 126.4613 53.2321 43.7688 175.5567 98 D 4.7752 9.0575 124.5346 52.9050 42.6545 173.9860 99 H 5.1230 8.1007 120.9550 52.1513 28.6532 171.6629 100 P 3.5482 0.0000 0.0000 66.0116 32.2693 176.9548 101 E 4.5630 8.1971 118.8349 56.3982 29.5056 175.9635 102 N 4.5859 7.9564 110.0656 54.0255 37.2725 174.9481 103 V 4.1492 7.1064 118.1526 60.5465 32.0096 174.5590 104 L 4.2960 8.6305 130.0735 55.7107 42.0747 176.0632 105 N 4.8269 10.1244 127.4970 55.2767 39.6353 174.8313 106 S 5.1869 7.7976 110.8267 57.6346 67.1710 171.4718 107 Y 5.4508 8.7830 117.5927 55.4229 41.6559 173.6742 108 L 5.1591 9.3371 123.8888 53.4133 45.4351 175.2016 109 V 5.0661 8.3571 119.2755 59.9466 34.4007 174.7371 110 T 5.2623 9.5264 120.1199 60.6591 71.3320 171.8072 111 D 5.1097 8.8471 123.5362 53.0932 45.1450 173.7221 112 E 5.1089 8.7971 122.4985 54.5507 33.1866 175.1252 113 I 4.5873 8.1291 123.0469 59.6039 40.0910 174.9467 114 F 4.9217 8.7161 125.1072 55.0954 40.3310 177.0488 115 F 4.4325 9.5263 122.9165 60.8094 38.9890 176.5501 116 D 4.9401 8.4629 117.7744 53.5894 39.1691 176.7285 117 G 4.1930 8.6150 106.1700 44.8722 0.0000 173.1981 118 L 4.1813 7.7716 122.6869 54.8667 42.8538 176.5490 119 S 4.3908 7.9169 117.5576 56.3428 65.9314 177.6715 120 K 2.5269 6.3340 123.4243 59.2834 31.6152 178.0216 121 D 4.1646 7.6309 117.6106 57.5904 40.9019 178.5587 122 R 3.8092 7.5739 118.1783 59.2267 30.1249 177.9237 123 L 3.9148 7.8705 120.1661 58.4693 42.2060 178.7678 124 I 3.6744 7.8966 119.8125 64.6741 36.9622 178.7134 125 S 4.0696 7.7493 115.4727 61.7914 62.8841 176.5626 126 S 4.2548 8.4887 116.1308 61.3801 61.9502 176.4886 127 I 3.8094 7.9625 122.5369 64.4494 37.0164 178.4706 128 K 4.3119 8.0303 119.1785 59.5935 31.8519 178.9909 129 N 4.4917 8.8062 117.9345 56.6022 39.0331 177.1762 130 V 3.6448 7.9085 119.6510 65.9348 31.5404 177.8278 131 F 4.1908 8.5606 120.5192 61.3312 39.2560 177.4014 132 R 3.4460 8.1401 117.5511 58.9086 29.6133 178.8512 133 A 2.0000 7.3354 119.6926 54.1017 18.7014 179.4406 134 K 4.0265 7.4230 117.5847 59.5910 32.1471 178.6688 135 L 3.3634 7.2864 119.5120 57.9535 41.7240 178.5609 136 Q 4.2189 7.2069 116.7975 58.8280 28.8365 181.0405 137 V 3.5856 6.6304 116.5373 62.6017 30.6472 176.0697 *139 W 4.9630 7.9602 115.3271 56.4613 30.7891 177.9382 *141 I 4.1136 7.8381 119.3420 61.6945 38.8594 178.4584 142 Q 4.1182 8.0635 118.7935 58.7433 28.8416 178.5141 143 E 3.9366 8.2790 115.4752 58.9357 29.8432 178.2233 144 R 3.8503 7.7490 118.5535 57.9310 30.3367 177.0374 145 F 5.0538 7.9153 116.1398 57.0037 39.7330 175.7114 146 G 4.2347 8.0320 114.8043 46.1563 0.0000 174.2973 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 3 L 8.18 4.24 0.00 1.64 1.79 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 4 S 7.96 3.88 0.00 3.56 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 5 Q 7.80 3.54 0.00 1.63 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 7.20 0.00 0.00 0.00 0.00 0.00 2.01 1.16 0.00 6 E 7.66 3.88 0.00 1.97 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 2.44 2.16 0.00 *8 I 7.89 3.79 1.62 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 1.28 0.79 0.84 0.00 0.00 9 K 7.52 3.44 0.00 1.43 1.76 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.63 7.81 10 K 7.55 3.69 0.00 1.71 1.32 0.00 1.51 0.00 0.00 1.32 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.41 7.81 11 W 7.47 4.30 0.00 3.38 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.77 4.01 0.00 1.71 1.85 0.88 1.47 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 13 D 8.09 4.45 0.00 2.91 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 14 E 7.96 4.02 0.00 2.24 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 2.37 2.50 0.00 15 E 7.79 4.33 0.00 1.25 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.92 0.00 16 G 7.96 4.43 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 0.00 17 F 7.70 4.10 0.00 3.19 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 18 L 7.75 4.33 0.00 1.78 1.68 1.23 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.54 4.40 0.00 1.97 1.95 0.00 3.43 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.86 0.00 *21 E 7.97 4.30 0.00 1.74 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 2.00 1.91 0.00 22 V 7.88 4.29 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 0.58 0.00 0.00 0.85 0.00 0.00 23 P 0.00 4.33 0.00 2.03 2.07 0.00 3.62 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 24 D 7.71 4.49 0.00 2.59 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 25 E 8.79 4.33 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 26 N 9.22 5.13 0.00 2.63 2.76 0.00 0.00 6.59 7.92 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 27 A 7.87 4.99 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 9.17 4.27 0.00 2.01 2.22 0.00 3.36 0.00 0.00 3.38 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 29 F 7.63 5.07 0.00 3.14 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 30 H 8.73 5.01 0.00 3.19 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 9.21 4.78 0.00 3.09 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 32 V 8.50 4.48 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 0.98 0.00 0.00 1.11 0.00 0.00 33 V 8.80 4.35 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 0.95 0.00 0.00 1.06 0.00 0.00 34 N 8.87 6.00 0.00 2.76 2.64 0.00 0.00 6.83 7.08 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 35 Y 7.66 4.24 0.00 1.47 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 3.78 0.00 1.74 1.46 0.00 2.70 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.44 0.00 37 E 8.33 3.99 0.00 1.90 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 2.31 2.29 0.00 38 D 8.88 4.79 0.00 2.79 2.92 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 39 H 7.90 4.41 0.00 3.06 3.04 0.00 5.74 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.83 4.70 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.91 0.00 0.00 41 I 8.48 4.76 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.74 1.05 0.00 0.00 42 D 9.48 5.15 0.00 2.62 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 43 I 8.67 4.91 2.13 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 1.30 1.10 1.03 0.00 0.00 44 I 8.39 4.65 1.75 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 0.76 0.49 0.82 0.00 0.00 45 Q 7.95 4.40 0.00 1.16 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.71 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 46 P 0.00 4.39 0.00 1.93 1.93 0.00 3.63 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 1.97 2.09 0.00 47 A 8.92 4.02 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 48 G 7.54 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 49 K 7.41 4.38 0.00 1.62 1.59 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.64 7.81 50 D 8.74 4.49 0.00 2.67 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 51 D 7.46 3.97 0.00 2.78 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 *53 I 7.45 4.11 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.69 1.31 0.00 0.00 54 L 8.88 5.06 0.00 1.60 1.43 0.88 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 55 I 9.38 4.86 1.92 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 1.20 0.91 0.98 0.00 0.00 56 A 9.28 5.19 1.18 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 0.00 0.00 57 C 8.93 4.84 0.00 3.06 2.82 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 58 A 8.47 4.47 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.19 4.41 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 1.06 0.00 0.00 60 S 8.57 4.92 0.00 3.72 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 61 V 8.78 4.16 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.20 0.00 0.00 62 S 9.04 4.22 0.00 4.13 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 P 0.00 4.22 0.00 2.02 2.15 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 2.02 2.17 0.00 64 E 8.00 4.03 0.00 1.92 1.91 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 2.35 2.42 0.00 65 H 7.89 4.13 0.00 3.37 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.47 4.00 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 67 A 8.04 4.12 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 68 G 7.35 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 0.00 0.00 0.00 69 I 6.71 3.80 1.82 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.91 0.91 0.00 0.00 70 R 7.32 4.01 0.00 2.10 2.03 0.00 3.18 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 1.58 1.65 0.00 71 A 7.64 4.19 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 6.79 4.58 0.00 1.77 1.68 1.06 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 73 S 8.06 4.69 0.00 4.03 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 *75 E 9.15 4.36 0.00 2.17 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 0.00 2.34 2.46 0.00 76 K 7.78 4.22 0.00 1.93 1.93 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.58 7.81 77 R 7.86 4.10 0.00 1.87 2.20 0.00 3.17 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.91 0.00 78 T 7.99 3.87 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 79 E 8.48 4.21 0.00 2.22 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 0.00 2.46 2.46 0.00 80 F 8.21 4.43 0.00 3.21 3.29 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 81 I 7.94 3.33 1.64 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 1.76 0.98 0.33 0.00 0.00 82 W 7.89 4.10 0.00 3.60 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 83 K 8.03 4.18 0.00 1.99 1.84 0.00 1.91 0.00 0.00 1.82 0.00 0.00 3.34 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.57 1.61 7.81 84 V 7.22 3.46 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 0.03 0.00 0.00 0.58 0.00 0.00 85 R 7.72 3.85 0.00 1.90 1.93 0.00 2.73 0.00 0.00 2.70 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 86 F 8.16 4.62 0.00 3.09 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 87 T 8.11 4.10 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 88 L 7.62 3.96 0.00 0.34 0.76 0.31 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 89 N 7.84 4.78 0.00 3.16 3.03 0.00 0.00 7.17 8.05 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 90 R 7.67 4.42 0.00 1.90 1.82 0.00 3.18 0.00 0.00 3.18 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 91 F 8.17 4.28 0.00 3.21 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 92 G 8.22 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.80 4.73 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 0.93 0.00 0.00 1.03 0.00 0.00 94 D 9.54 5.29 0.00 2.62 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.19 6.04 0.00 3.14 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 96 Q 8.77 4.54 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 97 L 8.57 4.97 0.00 1.62 1.72 0.93 1.14 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 98 D 9.06 4.78 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 H 8.10 5.12 0.00 3.10 3.25 0.00 5.42 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 0.00 100 P 0.00 3.55 0.00 2.07 1.98 0.00 3.99 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 2.16 2.15 0.00 101 E 8.20 4.56 0.00 1.97 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 2.30 2.24 0.00 102 N 7.96 4.59 0.00 2.87 2.91 0.00 0.00 7.01 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 0.00 103 V 7.11 4.15 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 0.97 0.00 0.00 0.99 0.00 0.00 104 L 8.63 4.30 0.00 1.82 1.82 1.07 1.11 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 0.00 105 N 10.12 4.83 0.00 2.99 2.89 0.00 0.00 6.57 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 7.80 5.19 0.00 3.96 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.78 5.45 0.00 3.07 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 0.00 108 L 9.34 5.16 0.00 1.67 1.57 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.36 5.07 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 0.68 0.00 0.00 0.98 0.00 0.00 110 T 9.53 5.26 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 1.28 0.00 0.00 111 D 8.85 5.11 0.00 2.84 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.80 5.11 0.00 1.54 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 2.15 2.35 0.00 113 I 8.13 4.59 1.96 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 1.28 0.65 1.03 0.00 0.00 114 F 8.72 4.92 0.00 3.16 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 9.53 4.43 0.00 3.10 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.46 4.94 0.00 2.84 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 0.00 117 G 8.62 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 0.00 0.00 0.00 118 L 7.77 4.18 0.00 1.65 1.73 1.04 0.32 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 0.00 119 S 7.92 4.39 0.00 3.81 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 0.00 120 K 6.33 2.53 0.00 0.79 1.08 0.00 1.30 0.00 0.00 1.43 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.03 0.83 7.81 121 D 7.63 4.16 0.00 2.64 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 0.00 122 R 7.57 3.81 0.00 1.89 1.96 0.00 3.17 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 123 L 7.87 3.91 0.00 1.90 1.80 1.02 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 124 I 7.90 3.67 1.71 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.82 0.74 0.00 0.00 125 S 7.75 4.07 0.00 4.02 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 0.00 126 S 8.49 4.25 0.00 3.89 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 0.00 127 I 7.96 3.81 2.11 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 1.62 0.78 1.01 0.00 0.00 128 K 8.03 4.31 0.00 2.06 2.02 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.42 7.81 129 N 8.81 4.49 0.00 2.90 2.91 0.00 0.00 6.79 7.35 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 0.00 130 V 7.91 3.64 2.40 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 1.05 0.00 0.00 1.03 0.00 0.00 131 F 8.56 4.19 0.00 3.25 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 0.00 132 R 8.14 3.45 0.00 2.15 2.08 0.00 3.35 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.03 0.00 133 A 7.34 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 7.42 4.03 0.00 1.89 1.90 0.00 1.54 0.00 0.00 1.44 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.30 1.04 7.81 135 L 7.29 3.36 0.00 0.27 0.93 -0.09 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 7.21 4.22 0.00 1.92 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.42 0.00 0.00 0.00 0.00 0.00 2.51 2.83 0.00 137 V 6.63 3.59 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 -0.05 0.00 0.00 0.48 0.00 0.00 *139 W 7.96 4.96 0.00 3.73 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 *141 I 7.84 4.11 1.97 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 1.84 1.01 0.92 0.00 0.00 142 Q 8.06 4.12 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.90 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 143 E 8.28 3.94 0.00 1.97 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 2.28 2.21 0.00 144 R 7.75 3.85 0.00 1.35 1.12 0.00 2.84 0.00 0.00 2.48 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 145 F 7.92 5.05 0.00 3.03 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 0.00 146 G 8.03 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.