NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3118 8.1733 122.0468 56.2363 35.3607 175.2543 3 T 4.5859 7.7791 116.0761 61.6812 72.5783 171.6450 4 I 4.8837 9.0305 128.8357 59.4629 40.4363 174.2659 5 N 5.3625 8.5933 124.3558 51.4447 41.3578 173.8222 6 I 5.0892 9.2610 123.2016 59.5462 40.9756 174.4726 7 V 4.8694 8.8610 126.7991 61.4054 33.6608 174.8613 8 A 5.1702 8.6285 130.7222 50.1089 21.4121 176.6245 9 G 3.7213 8.8133 103.5861 47.4184 0.0000 174.6791 10 G 4.0531 7.7089 109.7753 44.6647 0.0000 171.7977 11 P 4.2841 0.0000 0.0000 62.6667 31.8600 178.1818 12 K 4.0677 8.7291 121.8753 59.2876 32.2530 178.8946 13 N 4.4579 8.0445 114.9459 54.9783 37.8874 175.7758 14 L 4.2418 7.7775 118.1411 55.5606 42.2302 176.1597 15 I 4.5966 7.2182 120.8539 59.1270 38.2007 174.0896 16 P 4.4997 0.0000 0.0000 61.7517 32.5054 175.1249 17 D 4.3234 8.7927 118.6430 54.7337 41.1263 177.3997 18 L 4.0817 8.4679 127.3891 57.6289 41.9705 179.7375 19 T 3.8551 8.4951 116.2483 66.5006 68.3968 175.9188 20 G 3.8686 8.1301 107.1796 46.6872 0.0000 173.3770 21 Y 4.6197 8.1008 116.2842 57.5569 39.0311 175.6766 22 T 4.5392 7.8618 111.1954 61.5072 69.5256 172.1544 23 D 4.3569 7.8855 120.1336 54.2197 43.1647 175.4970 24 E 4.0655 8.4095 120.7224 59.7483 30.3712 178.1057 25 H 4.7769 7.8352 115.5150 55.6492 27.0989 175.7466 26 T 5.3230 7.4058 113.1266 61.1942 72.3003 175.2203 27 L 4.9065 8.5088 126.3567 52.8801 44.6824 175.5262 28 W 5.3491 8.8843 121.4446 54.8845 32.5718 174.5914 29 I 5.0127 9.1634 117.0076 59.1656 40.5864 174.6274 30 G 4.5539 8.6867 110.9672 44.8824 0.0000 172.5772 31 V 4.9208 8.3524 120.4003 61.8639 34.7416 174.3820 32 D 4.1546 9.4311 128.4899 54.9652 40.0322 176.3516 33 K 3.8775 8.9030 120.7608 60.5958 32.6762 179.1069 34 G 3.9971 8.2875 106.1613 48.3706 0.0000 175.5362 35 T 3.8879 7.7292 116.0161 64.6062 67.1463 176.2315 36 V 3.5450 8.2160 120.6417 66.3379 31.3767 178.0213 37 T 3.8093 7.8759 113.6209 66.6982 68.5434 175.9034 38 L 3.8185 7.7291 120.7178 57.9374 41.8378 179.5037 39 L 4.2353 7.9062 118.5875 58.1030 41.3264 179.5551 40 D 4.3379 8.0258 117.9972 56.8423 40.7802 177.9070 41 A 4.2182 8.1314 120.2500 52.5992 18.8671 178.2395 42 G 3.8689 7.6329 104.7217 45.2208 0.0000 173.3239 43 I 4.1805 6.9974 119.1180 59.3917 38.7963 175.0695 44 I 4.3356 7.9221 124.5356 58.6274 38.3637 174.2083 45 P 4.7806 0.0000 0.0000 62.8066 31.8855 176.4062 46 V 4.1532 9.0056 119.6259 63.8227 32.7194 175.9652 47 E 4.6876 7.7162 117.9828 54.8967 34.1056 173.9650 48 A 5.2951 8.0323 121.7752 50.3924 23.2002 175.0654 49 F 5.0607 9.3354 116.6350 57.0967 43.7966 174.4327 50 G 4.1293 8.8945 107.5564 44.2029 0.0000 171.7238 51 D 4.3181 7.9164 118.5589 52.0723 41.0265 176.0434 52 F 4.8783 8.0383 115.4146 57.3820 40.6163 176.1034 53 D 4.1862 8.0594 120.9109 56.5278 40.8420 177.3979 54 S 4.6539 7.9079 112.7533 58.3282 64.8047 174.0031 55 I 4.4044 8.4721 123.3824 60.4224 37.8644 176.8382 56 T 4.3195 8.6412 116.6838 60.7542 71.6134 174.9695 57 E 3.8193 8.5391 119.8976 59.8111 29.6307 178.5976 58 Q 3.9950 8.0585 117.4679 59.0513 28.8264 178.6821 59 E 3.9328 7.6653 119.0283 59.6787 29.5991 179.5034 60 R 3.9228 7.9377 118.3566 59.3130 29.8864 178.8894 61 R 3.8387 7.7330 117.4474 59.3489 30.1688 178.8026 62 R 3.8939 8.1938 118.1390 59.5005 30.0752 179.1005 63 I 3.6717 7.7765 119.1532 64.6497 37.0745 178.4671 64 E 4.2025 7.9860 118.6817 58.9839 28.9410 179.4029 65 K 3.9437 8.0279 119.2459 59.0790 32.4651 178.2575 66 A 4.2951 8.3134 119.6841 53.1480 20.1987 177.3756 67 A 4.6708 8.4553 120.0231 49.7181 19.1394 174.7149 68 P 4.3979 0.0000 0.0000 64.0626 32.0457 177.9123 69 A 4.5840 7.7434 117.3788 51.4993 19.1715 175.9875 70 L 4.0814 8.0190 121.7626 56.3812 42.1523 176.0533 71 H 4.9688 8.6726 125.6764 55.0811 32.1460 173.4912 72 V 4.6571 8.1226 122.2504 61.2860 34.2360 173.9986 73 Y 4.5891 8.4338 125.1056 56.1727 40.2589 174.8164 74 Q 4.9388 8.4228 120.2351 53.2309 31.5227 176.1976 75 A 4.4987 8.5772 117.1999 51.7379 18.5549 176.3088 *77 K 4.3419 8.3127 113.8407 58.2650 32.5536 177.0375 78 D 4.8242 8.8391 127.1718 55.6951 40.9225 175.6683 79 Q 4.7116 7.3927 117.3773 54.2798 31.2829 176.0997 80 T 4.3668 8.1334 118.1892 62.6787 71.1922 175.6723 81 D 4.4260 8.6933 124.1546 57.6640 40.7989 179.1461 82 L 3.8058 7.8257 119.9117 58.3624 42.1814 178.3858 83 D 4.2369 8.0258 117.3060 57.2850 41.2963 177.8028 84 L 3.9782 7.9939 120.5807 57.6455 41.9168 178.5653 85 A 2.5800 7.2313 120.3807 53.7560 18.3140 179.3004 86 L 3.8867 7.8829 119.5200 58.1311 42.0589 178.8757 87 D 4.2929 8.1312 118.9288 57.1687 40.3699 178.2848 88 W 4.1459 7.7768 127.4649 60.7595 30.3851 177.8388 89 A 3.7426 7.9001 119.3302 54.9805 18.1030 179.3304 90 L 4.0252 8.1507 117.9212 57.5611 41.4248 179.1582 91 E 3.8440 8.0411 118.9808 59.1094 29.6896 178.5321 92 K 3.9412 7.2643 115.4651 56.6470 33.4192 177.5988 93 Q 3.0225 7.4874 113.9538 56.5892 26.0146 171.7632 94 P 4.6569 0.0000 0.0000 61.6115 34.2121 176.2442 95 D 4.6608 9.0901 117.5925 57.0842 41.4104 176.7325 96 I 5.0587 7.4926 109.5571 59.4632 42.3048 174.4855 97 I 5.2374 8.2219 121.9827 60.0235 40.9039 174.2599 98 Q 4.7986 8.4685 126.7115 54.4563 30.8894 175.0915 99 I 4.9300 8.3673 124.6964 59.8145 39.9601 175.3289 100 F 4.8300 10.1875 127.0584 55.1555 42.0915 175.7082 101 G 4.2172 8.4863 105.2570 47.7166 0.0000 174.3862 102 I 4.6191 7.7489 113.5593 60.3486 39.0727 174.2405 103 T 4.7175 7.4001 107.1519 60.1231 72.5221 174.5956 104 G 4.0953 7.5849 112.7463 46.8161 0.0000 175.2628 105 G 3.6513 9.0846 111.3021 48.0707 0.0000 174.4569 106 R 3.9989 7.8814 121.4374 55.5627 30.7495 177.3926 107 A 4.1486 8.6484 127.1420 55.0623 18.7315 178.7816 108 D 4.3884 8.0926 117.0492 56.5298 39.3471 178.5211 109 H 4.4065 8.0725 117.6323 58.5617 29.0202 176.9411 110 F 4.4580 7.9973 122.4848 61.7065 39.3971 177.2132 111 L 3.8400 8.4235 118.9305 57.5548 41.0913 179.8863 112 G 3.6283 7.7293 104.8102 47.9109 0.0000 175.3495 113 N 4.5261 8.7397 119.2655 55.9933 38.4328 177.6548 114 I 3.6875 7.6299 121.4827 64.3022 36.6902 178.3858 115 Q 4.0904 7.9253 118.4346 58.8048 27.9463 178.7575 116 L 4.1550 7.7161 119.3681 57.1961 41.4414 179.3239 117 L 3.9331 7.9272 119.7371 57.7199 41.3544 178.6675 118 Y 3.9066 7.4873 118.4174 60.3458 38.5544 177.9670 119 K 3.8470 7.7231 120.0331 59.3957 32.4137 179.0831 120 G 3.5419 7.6961 105.9590 47.5711 0.0000 176.0270 121 V 3.7047 7.0626 113.6562 63.6460 31.6216 178.3231 122 K 4.1081 7.3755 117.3469 58.1397 31.8990 177.4136 123 T 4.5042 7.3716 109.0468 61.2143 69.2244 173.4866 124 N 4.1457 8.2466 116.4885 55.0429 37.5709 172.9956 125 I 4.3795 7.0303 116.4970 58.4149 39.1525 175.8595 126 K 4.0627 8.1100 125.5118 56.6018 33.0238 176.1403 127 I 4.9450 8.1103 124.7028 59.4325 40.4216 174.7607 128 R 4.6700 9.1661 127.0749 54.4703 33.2432 174.0571 129 L 4.7381 8.8125 126.5967 54.1779 43.4901 175.8684 130 I 5.0731 8.0451 122.3326 59.7664 40.9392 173.9641 131 D 4.7728 9.3163 124.7928 52.2824 45.1024 175.9463 132 K 3.9236 8.6192 121.3969 59.1181 32.1684 177.6092 133 Q 4.7044 7.9754 114.3807 55.4405 29.1175 173.8984 134 N 5.4301 7.8239 114.5028 52.9414 43.8562 173.4192 135 H 5.3240 9.2173 118.1732 54.4933 32.8280 172.3652 136 I 4.7919 8.8439 124.9250 59.8746 39.9864 175.3416 137 Q 4.0840 8.0690 125.2125 55.2775 31.4471 172.2442 *139 F 4.5988 8.4341 114.1495 57.1617 40.6645 173.3898 140 P 5.2345 0.0000 0.0000 60.8384 33.2772 173.3488 141 P 2.9700 0.0000 0.0000 62.3467 32.2106 177.6232 142 G 3.5416 6.0033 107.7710 44.7426 0.0000 170.7834 143 E 4.6291 7.1419 119.5242 54.2642 32.3879 175.0618 144 Y 4.6931 8.3698 121.9293 56.3301 42.6352 173.6496 145 D 5.5970 8.8142 121.6718 52.6533 43.4441 175.5905 146 I 4.9246 8.7993 114.9546 59.2908 41.5226 173.8319 147 E 5.0329 8.6172 121.5852 53.9630 32.3837 175.9504 148 K 3.8996 8.5496 124.7923 56.9332 33.0462 176.0344 149 D 4.7512 8.7476 127.4158 52.0958 40.9101 175.7899 150 E 3.7833 8.7568 125.7059 59.0465 29.2808 178.1077 151 N 4.7617 8.3279 114.1162 53.3480 39.7359 175.2169 152 K 4.6789 8.3888 117.2661 53.9080 32.6172 175.4926 153 R 3.9385 8.2840 122.1358 59.6145 30.6457 176.2207 154 Y 4.5661 7.8557 114.2676 58.1143 39.7236 175.4809 155 I 4.5989 8.9266 123.2586 60.7814 41.1009 174.0497 156 S 5.0314 8.5742 123.7147 56.4925 65.4869 174.0258 157 F 5.0578 8.5334 121.2872 55.8073 41.5180 174.7404 158 I 4.6253 8.5426 124.2345 58.6674 40.4447 173.6194 159 P 4.4797 0.0000 0.0000 63.0128 31.6417 175.7075 160 F 4.5838 8.9450 125.9297 59.8089 38.8678 176.7465 161 S 4.2707 8.2382 111.8368 58.1629 64.9521 172.6944 162 E 4.7987 7.6797 116.2874 54.3510 32.7777 174.9221 163 D 4.6783 8.7848 118.6843 54.6932 42.0906 176.1403 164 I 4.6587 8.9055 122.1699 60.2035 39.2480 174.7233 165 H 4.8358 9.3152 124.9555 55.0798 30.7747 175.4923 166 E 3.8899 8.7059 120.6278 57.2690 27.2525 174.7484 167 L 4.7590 8.6432 121.0569 55.5041 43.7479 176.2401 168 T 5.2114 9.4421 122.8877 61.8038 71.9956 173.0464 169 L 5.5303 9.3129 124.7907 53.5582 45.7428 176.2404 170 T 4.5996 9.2876 117.7359 62.7689 73.3887 174.7033 171 G 3.8117 9.0632 112.8575 46.2935 0.0000 172.7311 172 F 5.3038 7.8104 116.1974 54.7657 41.9840 175.7751 173 K 3.9727 8.7806 124.4249 58.9416 32.2918 177.1447 174 Y 4.5939 7.6218 116.2093 54.5104 37.3345 172.8254 175 P 4.5293 0.0000 0.0000 63.1898 32.8928 175.6762 176 L 4.6518 8.4220 123.1217 53.7243 45.8198 174.0207 177 N 4.9531 8.5920 124.1520 51.6582 41.0067 173.3129 178 N 4.2586 8.6387 126.4279 54.3311 37.1018 174.5700 179 C 4.4155 8.2278 117.2930 59.3174 33.6358 172.0397 180 H 5.0586 8.6934 124.0701 54.7871 30.4932 173.9316 181 I 4.2845 8.3881 129.0495 60.0840 38.2643 175.9703 182 T 4.5336 8.3062 117.9757 60.7692 70.5113 173.9748 183 L 4.0775 8.9872 126.6721 56.6797 42.3064 177.2886 184 G 3.9927 8.9563 113.8513 45.1409 0.0000 173.2502 185 S 4.3802 7.6594 114.7280 57.9991 63.2190 173.6981 186 T 4.4929 8.1832 114.5305 61.0717 69.3574 175.2156 187 L 3.8051 7.8812 125.5512 58.8025 42.1824 177.5957 188 C 4.5281 7.8869 113.7845 59.6078 28.2100 173.1246 189 I 4.1017 7.4659 121.4735 62.0554 37.7874 176.1703 190 S 3.6963 8.8175 117.6257 59.4467 61.8690 170.4428 191 N 4.9802 8.4369 122.1633 53.4469 41.8103 173.5899 192 E 5.1896 8.8133 119.1427 54.5012 34.6773 174.4128 193 L 4.7661 8.4582 122.8861 53.7114 42.7689 175.9509 194 I 4.1386 8.3426 120.1980 61.9774 38.2085 175.0668 195 H 5.1808 7.6819 119.7930 53.5816 32.1707 175.0672 196 S 4.3669 8.6514 113.6241 61.0470 63.7880 174.0350 197 R 5.0287 7.6083 119.7917 54.6644 33.5184 174.0426 198 G 4.2309 9.1386 111.3713 45.0420 0.0000 170.9275 199 T 5.6054 8.8809 108.4679 60.3488 72.4682 172.9983 200 F 5.7247 9.2938 118.8633 55.6134 41.7498 173.6204 201 S 5.5040 9.2061 113.9316 58.2583 66.9324 172.6398 202 F 5.6753 8.1081 114.0237 57.4182 40.5689 174.4419 203 V 4.3760 8.9479 111.6276 61.1984 33.1940 175.9678 204 K 4.5597 8.3313 121.3370 56.4167 35.7694 175.8215 205 G 4.1948 9.4734 112.2193 44.6437 0.0000 171.9749 206 I 4.9265 8.2744 111.0793 59.0655 39.8581 174.2371 207 L 4.7204 9.0917 129.9353 53.6618 43.8040 175.7484 208 I 4.9745 8.1015 126.2908 58.8996 41.0342 173.8866 *210 I 4.3485 8.0788 122.4581 62.0549 38.7034 175.0894 211 R 4.9645 8.9676 127.8043 54.7936 31.9720 176.1046 212 S 5.3621 8.7381 117.1049 56.2416 67.4798 172.0529 213 T 5.1225 8.2746 113.5489 61.0493 70.3318 170.9522 214 D 4.5265 8.8650 117.7744 54.6423 43.2763 175.3439 215 L 4.0298 8.0252 122.3273 55.2610 41.8884 174.5382 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 K 8.17 4.31 0.00 1.77 1.87 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.66 1.39 7.81 3 T 7.78 4.59 4.45 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 1.14 0.00 0.00 4 I 9.03 4.88 1.87 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 1.26 0.87 1.05 0.00 0.00 5 N 8.59 5.36 0.00 1.44 2.06 0.00 0.00 6.36 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 6 I 9.26 5.09 1.91 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 1.14 1.07 0.91 0.00 0.00 7 V 8.86 4.87 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 0.99 0.00 0.00 1.06 0.00 0.00 8 A 8.63 5.17 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 9 G 8.81 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 7.71 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 11 P 0.00 4.28 0.00 2.18 2.00 0.00 3.84 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 12 K 8.73 4.07 0.00 1.81 1.86 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.43 7.81 13 N 8.04 4.46 0.00 2.81 2.95 0.00 0.00 6.04 7.79 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 14 L 7.78 4.24 0.00 1.91 1.72 0.90 1.08 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 15 I 7.22 4.60 1.90 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 1.42 0.69 1.01 0.00 0.00 16 P 0.00 4.50 0.00 2.48 2.21 0.00 4.00 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.12 0.00 17 D 8.79 4.32 0.00 2.80 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 18 L 8.47 4.08 0.00 1.36 0.98 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.50 3.86 4.64 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 1.21 0.00 0.00 20 G 8.13 3.87 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 0.00 21 Y 8.10 4.62 0.00 3.36 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.86 4.54 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 1.46 0.00 0.00 23 D 7.89 4.36 0.00 2.67 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 24 E 8.41 4.07 0.00 1.70 1.84 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 2.26 2.21 0.00 25 H 7.84 4.78 0.00 3.12 3.24 0.00 5.56 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.41 5.32 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 27 L 8.51 4.91 0.00 1.71 1.74 1.03 1.00 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 28 W 8.88 5.35 0.00 3.27 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 29 I 9.16 5.01 1.91 0.00 0.00 0.75 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 0.84 0.75 0.00 0.00 30 G 8.69 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 0.00 0.00 0.00 0.00 31 V 8.35 4.92 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.09 4.39 0.00 2.89 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 0.00 109 H 8.07 4.41 0.00 3.43 3.40 0.00 5.63 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 0.00 110 F 8.00 4.46 0.00 2.97 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 0.00 111 L 8.42 3.84 0.00 1.88 1.65 0.71 0.73 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 0.00 112 G 7.73 3.63 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 0.00 0.00 0.00 113 N 8.74 4.53 0.00 2.96 2.94 0.00 0.00 7.05 6.88 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 0.00 114 I 7.63 3.69 1.85 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.20 0.87 0.00 0.00 115 Q 7.93 4.09 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 116 L 7.72 4.15 0.00 1.97 1.67 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.93 3.93 0.00 1.58 1.55 0.83 0.58 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 0.00 118 Y 7.49 3.91 0.00 2.39 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 0.00 119 K 7.72 3.85 0.00 1.87 1.94 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.40 7.81 120 G 7.70 3.54 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 0.00 0.00 0.00 121 V 7.06 3.70 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 0.75 0.00 0.00 0.83 0.00 0.00 122 K 7.38 4.11 0.00 1.77 1.72 0.00 1.44 0.00 0.00 1.33 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.23 7.81 123 T 7.37 4.50 4.18 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 1.14 0.00 0.00 124 N 8.25 4.15 0.00 2.76 2.82 0.00 0.00 7.05 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 0.00 125 I 7.03 4.38 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.96 0.92 0.00 0.00 126 K 8.11 4.06 0.00 1.85 1.65 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.41 7.81 127 I 8.11 4.95 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.70 0.88 0.00 0.00 128 R 9.17 4.67 0.00 1.68 1.60 0.00 2.95 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.60 0.00 129 L 8.81 4.74 0.00 1.63 1.55 1.05 0.66 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 0.00 130 I 8.05 5.07 0.68 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.17 0.64 0.00 0.00 131 D 9.32 4.77 0.00 2.59 2.42 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 0.00 132 K 8.62 3.92 0.00 1.92 1.85 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.48 7.81 133 Q 7.98 4.70 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.57 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 134 N 7.82 5.43 0.00 2.60 2.68 0.00 0.00 6.78 8.76 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 0.00 135 H 9.22 5.32 0.00 3.08 3.16 0.00 5.58 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 0.00 136 I 8.84 4.79 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.81 0.93 0.00 0.00 137 Q 8.07 4.08 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.67 0.00 0.00 0.00 0.00 0.00 1.76 2.38 0.00 *139 F 8.43 4.60 0.00 3.34 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 0.00 140 P 0.00 5.23 0.00 2.16 2.16 0.00 4.05 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.10 0.00 141 P 0.00 2.97 0.00 1.82 1.82 0.00 3.81 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.33 0.00 142 G 6.00 3.54 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 0.00 0.00 0.00 143 E 7.14 4.63 0.00 1.62 1.47 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 1.98 2.14 0.00 144 Y 8.37 4.69 0.00 1.43 2.47 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 0.00 145 D 8.81 5.60 0.00 2.57 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 0.00 146 I 8.80 4.92 2.04 0.00 0.00 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 1.56 1.43 1.25 0.00 0.00 147 E 8.62 5.03 0.00 1.88 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 2.23 2.31 0.00 148 K 8.55 3.90 0.00 1.91 1.72 0.00 1.76 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.38 7.81 149 D 8.75 4.75 0.00 2.79 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 0.00 150 E 8.76 3.78 0.00 2.12 2.12 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 2.31 2.39 0.00 151 N 8.33 4.76 0.00 2.91 2.93 0.00 0.00 6.78 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 0.00 152 K 8.39 4.68 0.00 1.83 1.75 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.60 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.35 7.81 153 R 8.28 3.94 0.00 1.67 1.92 0.00 3.06 0.00 0.00 2.93 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.37 0.00 154 Y 7.86 4.57 0.00 3.19 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 0.00 155 I 8.93 4.60 1.94 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 1.26 0.57 0.56 0.00 0.00 156 S 8.57 5.03 0.00 3.58 3.63 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 0.00 157 F 8.53 5.06 0.00 2.75 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 0.00 158 I 8.54 4.63 1.88 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 0.79 0.90 0.00 0.00 159 P 0.00 4.48 0.00 1.90 2.03 0.00 3.63 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 2.14 2.01 0.00 160 F 8.95 4.58 0.00 3.01 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 S 8.24 4.27 0.00 3.77 3.59 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 0.00 162 E 7.68 4.80 0.00 1.97 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 2.25 2.39 0.00 163 D 8.78 4.68 0.00 2.67 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 0.00 164 I 8.91 4.66 1.75 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.87 0.72 0.00 0.00 165 H 9.32 4.84 0.00 3.26 3.32 0.00 5.96 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 E 8.71 3.89 0.00 2.21 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 2.37 2.35 0.00 167 L 8.64 4.76 0.00 1.66 1.50 0.81 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 168 T 9.44 5.21 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 1.29 0.00 0.00 169 L 9.31 5.53 0.00 1.54 1.72 0.79 0.70 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 0.00 170 T 9.29 4.60 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 1.26 0.00 0.00 171 G 9.06 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 0.00 172 F 7.81 5.30 0.00 3.10 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 0.00 173 K 8.78 3.97 0.00 1.67 1.81 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.47 1.09 7.81 174 Y 7.62 4.59 0.00 3.21 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 0.00 175 P 0.00 4.53 0.00 1.98 2.08 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.33 0.00 176 L 8.42 4.65 0.00 1.73 1.45 0.94 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 177 N 8.59 4.95 0.00 2.75 2.70 0.00 0.00 7.22 7.79 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 0.00 178 N 8.64 4.26 0.00 2.91 2.90 0.00 0.00 6.95 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 0.00 179 C 8.23 4.42 0.00 3.00 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 0.00 180 H 8.69 5.06 0.00 3.11 3.19 0.00 5.97 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 I 8.39 4.28 1.76 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 1.20 0.96 0.85 0.00 0.00 182 T 8.31 4.53 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 1.22 0.00 0.00 183 L 8.99 4.08 0.00 1.51 1.59 0.81 1.17 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 0.00 184 G 8.96 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 0.00 0.00 0.00 185 S 7.66 4.38 0.00 3.86 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 0.00 186 T 8.18 4.49 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 1.18 0.00 0.00 187 L 7.88 3.81 0.00 1.58 1.72 0.88 0.72 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 0.00 188 C 7.89 4.53 0.00 3.28 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 0.00 189 I 7.47 4.10 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.41 0.85 0.00 0.00 190 S 8.82 3.70 0.00 4.37 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 0.00 191 N 8.44 4.98 0.00 2.74 2.79 0.00 0.00 7.01 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 0.00 192 E 8.81 5.19 0.00 1.95 1.76 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 2.04 2.29 0.00 193 L 8.46 4.77 0.00 1.59 1.49 0.10 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 194 I 8.34 4.14 1.80 0.00 0.00 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 1.02 0.39 0.88 0.00 0.00 195 H 7.68 5.18 0.00 3.10 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 S 8.65 4.37 0.00 3.88 4.11 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 0.00 197 R 7.61 5.03 0.00 1.94 1.75 0.00 3.21 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.78 0.00 198 G 9.14 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 0.00 199 T 8.88 5.61 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 1.25 0.00 0.00 200 F 9.29 5.72 0.00 2.73 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 0.00 201 S 9.21 5.50 0.00 3.91 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 0.00 202 F 8.11 5.68 0.00 3.34 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 0.00 203 V 8.95 4.38 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 0.66 0.00 0.00 1.09 0.00 0.00 204 K 8.33 4.56 0.00 1.82 1.69 0.00 1.53 0.00 0.00 1.44 0.00 0.00 2.80 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.74 1.48 7.81 205 G 9.47 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 0.00 206 I 8.27 4.93 2.05 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.87 1.15 0.00 0.00 207 L 9.09 4.72 0.00 0.63 1.40 0.66 0.10 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 0.00 208 I 8.10 4.97 2.07 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.68 0.97 0.00 0.00 *210 I 8.08 4.35 1.81 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 1.37 0.53 0.91 0.00 0.00 211 R 8.97 4.96 0.00 1.80 1.90 0.00 3.17 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 212 S 8.74 5.36 0.00 3.78 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 0.00 213 T 8.27 5.12 4.50 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 1.27 0.00 0.00 214 D 8.86 4.53 0.00 2.60 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 0.00 215 L 8.03 4.03 0.00 1.77 1.58 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.