NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3659 8.2649 123.5953 52.0562 19.9289 175.7889 2 N 4.6877 8.5773 116.2797 51.0824 40.8124 172.8239 3 A 4.7037 8.5124 125.9127 49.4211 22.6996 174.9987 4 F 4.0257 8.7325 121.0242 59.7625 39.3611 171.1028 5 L 3.3825 7.9676 135.0000 54.1776 41.3521 174.5549 *8 L 4.2877 8.4069 122.1563 54.4961 43.6482 177.6929 9 R 4.1635 7.6702 116.4334 54.6460 30.7960 174.4500 10 P 4.3572 0.0000 0.0000 62.1471 31.9801 176.4728 11 G 3.6086 8.1145 108.3783 46.0923 0.0000 173.7835 12 S 4.1711 7.9543 115.0455 56.9447 64.3442 174.4339 13 L 3.6758 8.3458 126.8769 56.4301 41.2761 177.7510 *15 R 4.0473 7.8733 114.6889 56.1706 31.2831 176.4607 *17 C 4.9738 8.0488 113.7963 57.2979 42.0288 173.8416 18 K 4.3796 7.8909 118.2774 56.8294 31.9707 176.7857 *21 Q 4.3487 8.0104 116.9614 55.8631 29.8911 173.7955 22 C 5.1525 9.0368 117.0818 53.2069 43.9172 174.2523 23 S 4.7493 8.6359 117.9298 57.7468 63.8435 175.2969 24 F 2.7243 8.0912 122.0507 57.7468 36.4690 174.4941 *27 A 4.0186 8.0156 127.3179 51.6094 20.6949 180.1585 28 R 4.4499 7.3528 116.2056 55.7584 29.3479 178.7493 *30 I 3.8040 7.9425 117.2963 60.9445 38.7966 177.4878 31 F 4.2142 7.6610 116.7381 57.9054 38.4149 174.6523 32 K 3.9916 7.4485 120.7754 56.4272 31.5287 175.3566 33 D 4.3824 7.8144 117.0243 54.8297 42.1612 177.8444 34 A 4.2044 8.5166 124.0470 53.9067 18.3382 179.3345 *36 R 4.1866 7.9783 117.7754 57.1752 32.2093 178.1650 37 T 3.8092 7.7724 113.9033 66.4231 68.3280 176.9473 38 K 4.2513 8.1752 120.3723 59.6569 31.9784 179.0440 39 L 3.9707 8.0281 118.5672 58.1929 42.0870 178.3418 40 F 4.2716 7.9723 120.5522 60.7185 39.3324 177.2881 41 W 4.3125 8.7813 128.6206 60.2274 30.2936 177.7685 42 I 3.6591 7.8472 112.5491 64.2533 36.9445 178.1229 43 S 4.1644 7.7525 116.1992 61.0561 62.7905 175.5629 44 Y 3.7512 7.2029 121.0170 60.3511 37.4444 177.7430 45 S 3.8977 7.4138 112.8097 58.5499 63.5880 175.3159 46 D 4.4295 7.3182 122.8110 54.7701 40.7803 177.1099 47 G 3.9051 6.7584 102.8165 45.5267 0.0000 172.6679 48 D 4.7763 7.9757 118.6221 52.1951 40.7172 176.9249 49 Q 4.0439 8.5162 126.3638 58.5987 29.0802 177.5384 50 C 4.2880 8.6939 114.4720 57.6693 40.5705 175.3795 51 A 3.8102 7.8492 123.3157 55.1762 17.9746 178.9892 52 S 4.1344 7.8907 109.6794 59.2297 63.5165 173.8758 53 S 3.6434 7.6120 116.0715 58.9806 60.2685 171.3397 54 P 4.1402 0.0000 0.0000 65.5042 31.7812 177.4197 55 C 4.4796 7.8072 115.8214 56.6920 39.1579 173.2731 56 Q 4.1110 9.0079 125.6281 55.2251 29.7316 175.6615 57 N 3.8063 9.3653 113.5500 54.5830 35.7514 175.4733 58 G 3.7658 8.1338 101.3500 45.9097 0.0000 173.8101 59 G 3.9843 7.7401 107.1512 45.7940 0.0000 173.5174 60 S 4.8962 9.1793 115.7958 56.6596 65.9204 172.9249 61 C 5.1634 8.8221 124.6365 55.3316 39.3173 172.5354 62 K 4.5968 8.8806 126.7516 54.3508 34.2848 174.7446 63 D 4.8178 8.8103 127.6821 54.7676 42.0234 175.0120 64 Q 4.5245 8.4843 122.0757 53.9435 33.2060 174.5180 65 L 4.1970 8.3101 118.0888 55.5102 41.2718 177.4919 66 Q 3.4352 9.1605 125.9755 56.2095 27.0711 173.4825 67 S 4.5772 7.5293 110.3823 58.9874 65.3060 174.0794 68 Y 5.4350 7.4803 117.5014 56.6152 41.1256 173.9660 69 I 4.6461 8.7250 118.5924 60.2096 41.5634 173.8911 70 C 5.4528 9.0182 124.4243 55.6739 40.3429 173.0233 71 F 4.6838 9.4879 122.9472 56.2690 40.4246 175.1407 72 C 5.0337 8.7726 121.4857 55.4917 43.3073 173.3296 73 L 4.6129 8.5101 119.2269 53.5910 42.5231 176.6205 74 P 4.1348 0.0000 0.0000 66.0833 31.2724 177.5490 75 A 4.2120 7.9283 118.9268 52.0044 18.0765 176.3503 76 F 4.9874 7.9793 116.7036 57.9873 43.4849 173.0640 77 E 4.6105 8.9548 118.6122 55.7633 32.5337 174.8234 78 G 4.3645 8.9528 105.6220 44.5362 0.0000 174.5521 79 R 3.9284 8.6004 120.7354 58.9024 30.1387 177.0459 80 N 5.0121 8.5641 112.8506 52.7187 39.1598 174.0813 81 C 4.3860 8.5794 114.0768 58.0219 38.2100 174.5093 82 E 3.9132 8.2973 119.3539 58.7543 30.0242 176.9544 83 T 4.1741 8.1238 118.0841 63.3183 69.1448 173.3056 84 H 4.8405 8.8454 124.0858 54.2077 29.0217 176.0440 85 K 3.8656 7.9552 125.6649 59.6077 31.9499 178.3486 86 D 4.5398 7.8665 115.7343 55.7396 40.9322 176.0930 87 D 5.0299 7.9086 119.5967 54.6161 41.3141 176.6194 88 Q 4.5797 7.8911 114.6459 55.7109 30.5857 176.9198 89 L 4.3425 7.9705 119.1628 54.6432 40.7706 175.6114 90 I 4.6371 6.9896 114.3202 58.7919 41.3269 177.9607 91 C 4.3113 9.6351 119.8544 60.4734 40.0917 177.1283 92 V 3.3663 7.7465 110.6558 63.5897 31.4767 176.0706 93 N 4.5339 7.9570 118.9583 52.8600 37.5880 174.3192 94 E 3.6745 8.8766 128.4290 57.5913 27.2387 174.6438 95 N 4.5775 8.3427 110.5181 53.2661 37.6945 173.9378 96 G 4.0829 8.7677 100.9854 45.8662 0.0000 175.4143 97 G 3.8953 8.2812 105.0865 45.6112 0.0000 173.9828 98 C 4.5516 8.0397 117.4246 56.0482 41.0038 173.7787 99 E 3.9413 9.0115 125.3837 58.4723 29.4731 176.5069 100 Q 4.2889 7.5291 112.7997 55.3494 31.0187 175.4892 101 Y 5.0694 6.8647 117.8198 57.3569 41.2534 174.4474 102 C 5.4254 8.7116 120.9305 55.0627 48.4735 173.2635 103 S 4.6932 8.9678 120.9994 56.6370 65.8244 173.7341 104 D 4.8522 8.6982 124.5302 54.8875 41.8959 175.9159 105 H 4.9001 8.3296 117.1112 54.6146 32.5785 173.7473 106 T 3.7238 8.6512 114.8649 63.5374 68.1131 172.8388 107 G 4.1037 8.3292 124.3786 45.5038 0.0000 175.7880 108 T 4.1095 7.2492 111.8423 60.3046 70.1330 173.7087 109 K 4.5954 8.1578 120.9750 55.6972 34.3232 176.7154 110 R 4.4801 8.5045 117.4356 56.2754 30.5160 175.8190 111 S 4.8921 8.8833 114.9027 56.9406 65.8370 172.6397 112 C 5.2652 8.7665 119.4856 56.3415 42.5908 172.5107 113 R 4.7838 8.8683 119.2096 55.4308 34.9443 172.9955 114 C 5.0995 8.5071 115.7314 55.4905 39.8674 173.9052 115 H 4.6232 8.8738 120.4017 55.0118 30.3067 174.2890 116 E 4.0503 8.5086 124.8980 58.5121 29.8293 177.4036 117 G 3.9990 9.7673 113.1544 45.1915 0.0000 171.8331 118 Y 5.2806 7.7101 115.3715 56.4189 42.4435 174.8370 119 S 4.7856 9.0878 115.7414 56.6313 67.7417 173.3904 120 L 4.6876 8.5248 125.5226 54.9709 42.6829 176.7371 121 L 4.4601 8.9923 126.7156 54.0070 42.8613 177.9989 122 A 4.1362 8.6505 122.6527 54.6669 18.3772 178.6806 123 D 4.3555 7.9686 114.5849 54.6071 39.6641 177.6932 124 G 4.0367 8.4475 107.8243 45.3275 0.0000 174.0992 125 V 4.4236 7.6705 110.1339 60.9912 34.9455 175.7479 126 S 5.0846 8.7575 116.4126 57.5740 64.9321 172.7055 127 C 5.6094 9.1359 118.9692 55.5507 43.8216 173.6002 128 T 4.9425 8.7795 116.3814 59.4328 70.7101 171.3123 129 P 4.3420 0.0000 0.0000 62.8234 31.8509 176.2388 130 T 4.5035 8.6890 112.8141 61.5289 69.5938 173.8913 131 V 4.4894 7.1914 114.0671 59.3527 35.8270 175.1684 132 E 3.8021 8.7130 121.4430 58.8900 29.6705 176.5598 133 Y 4.7169 7.3148 115.2135 55.0731 37.9093 173.1631 134 P 4.3989 0.0000 0.0000 61.8600 32.6387 176.9588 135 C 4.4273 8.4704 114.6153 59.5268 30.0411 174.0097 136 G 3.9543 8.8494 108.1972 45.8326 0.0000 173.3899 137 K 4.5543 7.5515 118.0943 54.3942 34.7453 176.3439 138 I 4.2727 8.0439 124.0178 58.9973 37.1054 174.4404 139 P 4.2750 0.0000 0.0000 65.7131 31.2393 178.6910 140 I 3.9896 7.8058 106.4455 61.8850 37.2720 175.9146 141 L 4.6921 7.9917 119.1567 54.5374 43.2150 176.3579 142 E 4.2648 8.0584 123.8272 56.3827 29.5613 175.6656 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 1 A 8.26 4.37 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 2 N 8.58 4.69 0.00 2.78 2.73 0.00 0.00 6.71 6.46 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 3 A 8.51 4.70 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 8.73 4.03 0.00 2.92 3.08 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 5 L 7.97 3.38 0.00 1.26 1.37 0.57 0.67 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 *8 L 8.41 4.29 0.00 1.68 1.70 0.80 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.67 4.16 0.00 1.75 1.81 0.00 3.18 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 10 P 0.00 4.36 0.00 1.98 1.95 0.00 3.64 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 1.99 2.05 0.00 11 G 8.11 3.61 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 0.00 0.00 0.00 12 S 7.95 4.17 0.00 3.72 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 13 L 8.35 3.68 0.00 1.42 1.47 0.68 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 *15 R 7.87 4.05 0.00 1.82 1.92 0.00 3.31 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 *17 C 8.05 4.97 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.89 4.38 0.00 1.93 1.88 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.53 7.81 *21 Q 8.01 4.35 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 22 C 9.04 5.15 0.00 3.16 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.64 4.75 0.00 4.11 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 24 F 8.09 2.72 0.00 1.98 2.58 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 *27 A 8.02 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.35 4.45 0.00 1.38 1.67 0.00 3.34 0.00 0.00 3.24 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.63 0.00 *30 I 7.94 3.80 1.31 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.39 0.09 0.00 0.00 31 F 7.66 4.21 0.00 2.94 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 K 7.45 3.99 0.00 1.92 1.83 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.30 7.81 33 D 7.81 4.38 0.00 2.76 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 34 A 8.52 4.20 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 *36 R 7.98 4.19 0.00 1.90 1.89 0.00 3.18 0.00 0.00 3.40 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.00 37 T 7.77 3.81 4.38 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 0.67 0.00 0.00 38 K 8.18 4.25 0.00 1.91 1.99 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.65 1.78 7.81 39 L 8.03 3.97 0.00 1.62 1.82 0.93 0.67 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 40 F 7.97 4.27 0.00 2.57 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 41 W 8.78 4.31 0.00 3.86 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.85 3.66 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 1.87 0.75 0.97 0.00 0.00 43 S 7.75 4.16 0.00 3.75 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 44 Y 7.20 3.75 0.00 1.81 2.34 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 45 S 7.41 3.90 0.00 3.45 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.32 4.43 0.00 2.93 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 6.76 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 0.00 0.00 0.00 48 D 7.98 4.78 0.00 2.68 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 49 Q 8.52 4.04 0.00 2.47 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.73 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 50 C 8.69 4.29 0.00 3.18 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 51 A 7.85 3.81 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 52 S 7.89 4.13 0.00 3.75 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 53 S 7.61 3.64 0.00 3.95 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 54 P 0.00 4.14 0.00 1.81 1.83 0.00 3.49 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.74 0.00 55 C 7.81 4.48 0.00 2.95 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 56 Q 9.01 4.11 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.37 6.16 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 57 N 9.37 3.81 0.00 1.64 1.42 0.00 0.00 6.89 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 58 G 8.13 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 0.00 0.00 0.00 59 G 7.74 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 9.18 4.90 0.00 3.72 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 61 C 8.82 5.16 0.00 2.93 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 62 K 8.88 4.60 0.00 2.07 1.85 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.61 7.81 63 D 8.81 4.82 0.00 2.81 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.48 4.52 0.00 2.19 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 65 L 8.31 4.20 0.00 1.62 1.63 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 9.16 3.44 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.87 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 67 S 7.53 4.58 0.00 3.82 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 68 Y 7.48 5.43 0.00 2.98 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 69 I 8.73 4.65 2.02 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 1.18 0.86 0.74 0.00 0.00 70 C 9.02 5.45 0.00 3.06 3.09 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 71 F 9.49 4.68 0.00 2.93 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 72 C 8.77 5.03 0.00 2.95 3.17 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 73 L 8.51 4.61 0.00 2.06 1.74 1.03 1.03 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 74 P 0.00 4.13 0.00 2.05 2.14 0.00 3.74 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 2.17 0.00 75 A 7.93 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 F 7.98 4.99 0.00 3.13 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 77 E 8.95 4.61 0.00 2.12 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 0.00 2.20 2.24 0.00 78 G 8.95 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 79 R 8.60 3.93 0.00 1.77 2.03 0.00 3.21 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 80 N 8.56 5.01 0.00 3.00 2.97 0.00 0.00 7.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 8.58 4.39 0.00 3.14 3.11 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 82 E 8.30 3.91 0.00 2.11 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 2.32 2.30 0.00 83 T 8.12 4.17 4.47 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 0.00 0.00 0.00 1.26 0.00 0.00 84 H 8.85 4.84 0.00 3.28 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 7.96 3.87 0.00 1.58 1.81 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.64 1.43 7.81 86 D 7.87 4.54 0.00 2.61 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.91 5.03 0.00 2.79 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 7.89 4.58 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.66 0.00 0.00 0.00 0.00 0.00 2.52 2.24 0.00 89 L 7.97 4.34 0.00 1.58 1.61 0.97 1.01 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 90 I 6.99 4.64 1.86 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 1.64 0.60 0.91 0.00 0.00 91 C 9.64 4.31 0.00 3.13 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 92 V 7.75 3.37 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 0.65 0.00 0.00 0.92 0.00 0.00 93 N 7.96 4.53 0.00 2.81 2.97 0.00 0.00 7.03 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 94 E 8.88 3.67 0.00 2.18 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 2.29 2.21 0.00 95 N 8.34 4.58 0.00 2.94 2.81 0.00 0.00 7.60 7.90 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 96 G 8.77 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 97 G 8.28 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 98 C 8.04 4.55 0.00 3.07 3.08 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 99 E 9.01 3.94 0.00 1.89 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 2.20 2.21 0.00 100 Q 7.53 4.29 0.00 1.71 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.60 0.00 0.00 0.00 0.00 0.00 1.90 2.05 0.00 101 Y 6.86 5.07 0.00 2.91 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 0.00 102 C 8.71 5.43 0.00 3.05 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 0.00 103 S 8.97 4.69 0.00 3.72 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 0.00 104 D 8.70 4.85 0.00 2.51 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 H 8.33 4.90 0.00 3.17 3.15 0.00 5.71 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 0.00 106 T 8.65 3.72 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 0.00 107 G 8.33 4.10 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 0.00 0.00 0.00 108 T 7.25 4.11 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 1.20 0.00 0.00 109 K 8.16 4.60 0.00 1.79 1.87 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.45 7.81 110 R 8.50 4.48 0.00 1.96 1.98 0.00 3.04 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 111 S 8.88 4.89 0.00 3.94 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 C 8.77 5.27 0.00 3.03 3.05 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 0.00 113 R 8.87 4.78 0.00 1.87 1.93 0.00 3.14 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 114 C 8.51 5.10 0.00 2.80 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 0.00 115 H 8.87 4.62 0.00 2.76 2.95 0.00 5.62 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 0.00 116 E 8.51 4.05 0.00 1.97 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 2.35 2.38 0.00 117 G 9.77 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 7.71 5.28 0.00 2.88 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 0.00 119 S 9.09 4.79 0.00 3.72 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 0.00 120 L 8.52 4.69 0.00 1.65 1.59 0.99 1.07 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 0.00 121 L 8.99 4.46 0.00 1.84 1.59 0.93 0.58 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 0.00 122 A 8.65 4.14 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 0.00 123 D 7.97 4.36 0.00 2.80 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 0.00 124 G 8.45 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.67 4.42 2.26 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 0.80 0.00 0.00 0.97 0.00 0.00 126 S 8.76 5.08 0.00 3.93 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 0.00 127 C 9.14 5.61 0.00 2.67 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 0.00 128 T 8.78 4.94 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 1.27 0.00 0.00 129 P 0.00 4.34 0.00 1.78 1.56 0.00 3.65 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 1.94 1.87 0.00 130 T 8.69 4.50 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 131 V 7.19 4.49 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 0.69 0.00 0.00 0.83 0.00 0.00 132 E 8.71 3.80 0.00 1.75 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 1.57 2.05 0.00 133 Y 7.31 4.72 0.00 2.96 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 0.00 134 P 0.00 4.40 0.00 1.63 1.60 0.00 3.68 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.64 0.00 135 C 8.47 4.43 0.00 3.13 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 0.00 136 G 8.85 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 0.00 137 K 7.55 4.55 0.00 1.86 1.74 0.00 1.98 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.59 7.81 138 I 8.04 4.27 1.89 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 1.43 1.02 0.93 0.00 0.00 139 P 0.00 4.27 0.00 2.27 2.34 0.00 3.65 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 140 I 7.81 3.99 1.89 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 1.43 0.54 0.93 0.00 0.00 141 L 7.99 4.69 0.00 1.76 1.70 0.93 0.64 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 0.00 142 E 8.06 4.26 0.00 1.96 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 2.42 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.