NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.8915 8.0033 118.3748 58.1370 40.4153 173.1049 3 Q 4.6297 8.6784 119.9420 53.7771 30.7698 173.1975 4 L 5.0187 8.6679 125.3932 53.3021 44.6657 174.5724 5 Q 4.5491 8.8083 128.0236 54.3937 31.3240 173.9585 6 F 5.0830 8.7168 124.7551 56.3893 40.8846 175.3878 7 I 4.1961 9.0442 124.7339 59.7737 39.4858 174.6529 8 N 5.2869 9.2254 126.8176 51.4721 39.4814 174.4919 9 L 4.5864 8.8504 125.6134 54.5427 42.9770 176.3825 10 V 4.7426 8.4839 124.9201 61.4256 32.9324 174.4368 11 Y 4.6823 7.9974 123.4183 56.1725 40.3979 173.5307 12 D 4.5626 8.5554 121.7714 53.4648 41.2436 177.0096 13 T 4.2640 8.4244 122.6344 64.7014 67.6875 175.8745 14 T 4.1060 7.9980 110.3001 63.3918 68.8147 174.9837 15 K 4.3811 7.8354 120.4040 56.3460 32.7392 176.2962 16 L 4.6814 7.5102 119.6760 53.4067 43.2424 177.1282 17 T 4.1952 8.6177 112.5926 61.5658 70.8507 175.5351 18 H 4.1246 8.6630 118.3992 59.0915 28.7165 177.8607 19 L 3.9583 7.8907 121.5610 58.0481 41.9808 178.6131 20 E 3.8981 8.2381 118.6981 59.3829 29.3705 179.3948 21 Q 3.9836 8.2100 118.3049 59.2034 28.6103 178.9073 22 T 3.8699 7.8330 109.6363 64.6234 68.8726 175.8347 23 N 4.3123 8.2425 119.8859 56.5737 39.0639 176.9386 24 I 3.8444 7.8122 121.2216 64.5765 36.9658 178.2011 25 N 4.5043 8.1168 115.9156 55.8543 38.3472 176.9681 26 L 3.9832 7.2737 120.1182 56.2852 42.4593 177.6149 27 F 4.5160 7.8035 118.4154 55.9168 37.8881 175.3880 *29 G 3.7833 7.6951 111.3771 45.8764 0.0000 167.2150 30 N 5.6261 8.0001 116.1369 51.2745 41.4181 174.1286 31 W 5.7686 9.2906 122.8092 55.1248 33.9223 174.4011 32 S 5.4500 9.7383 116.8206 56.9140 66.8309 172.2030 33 N 4.9347 9.1918 120.0586 52.1446 40.7373 174.8015 34 H 4.8242 8.9046 123.2923 58.7744 29.1964 177.9349 35 Q 3.9659 8.0659 116.6974 58.5553 28.6939 177.1817 36 L 4.0916 8.3773 116.1586 54.7120 42.5727 176.3820 37 Q 2.0000 7.1155 117.9340 56.2873 26.8956 173.0861 38 K 5.1693 7.5489 116.7234 54.7274 36.0769 175.1892 39 S 5.5964 9.5119 121.2995 56.4554 66.3198 172.3817 40 I 4.9128 9.0315 118.1457 59.1548 40.7652 173.6920 41 C 5.1294 8.9703 126.1419 57.9476 33.5248 172.2761 42 I 4.9726 8.9670 128.5535 59.9318 38.2408 175.5951 43 R 4.7801 8.8980 125.0295 54.7175 35.3429 173.9096 44 H 4.9208 8.9383 121.0140 55.7790 30.0595 174.4321 45 G 4.2797 8.7030 118.5387 45.6440 0.0000 170.0293 46 D 4.7601 8.5602 119.3747 52.2745 42.3367 175.3782 47 D 4.3968 8.7571 117.8734 57.1376 40.7791 177.3742 48 T 4.4227 7.8057 106.8148 61.0418 69.2601 174.9184 49 S 4.1796 7.7471 118.5111 59.1943 63.2896 173.7978 50 H 4.5295 8.4296 120.1300 55.3600 30.0928 174.4450 51 N 4.2536 8.5400 114.4951 54.6313 36.1074 174.3475 52 Q 4.9879 7.6696 115.7239 55.6510 30.9727 175.8989 53 Y 5.1030 9.1069 120.2790 56.5073 42.2511 173.7861 54 H 5.1843 9.4186 123.4973 54.7870 32.1492 173.7014 55 I 4.5582 8.2061 126.2906 61.1480 37.2596 175.6615 56 L 4.4633 9.0862 127.4137 56.7439 42.9720 177.2261 57 F 4.8721 7.9000 118.8847 57.1558 42.9924 173.0209 58 I 4.2038 7.7826 126.7800 59.7340 38.7896 175.1761 59 D 4.2714 8.6056 129.7763 52.8887 40.3925 176.8912 60 T 3.9937 8.1901 115.5845 63.4551 69.6380 176.5293 61 A 4.0500 8.0982 124.6709 54.6290 18.5028 177.5792 62 H 4.8214 8.2220 109.4900 54.8033 30.3918 174.0363 63 Q 3.5272 8.1327 117.9639 57.1166 25.7558 172.4099 64 R 5.4897 8.4201 116.9254 54.4546 35.5836 175.9832 65 I 5.0368 8.0949 113.6791 59.1345 41.4399 174.3310 66 K 5.1381 8.8667 122.5356 54.9651 36.0241 175.1831 67 F 5.4862 8.4084 117.1781 56.3038 41.6790 172.8875 68 S 5.3266 9.3863 113.6019 56.4718 66.9204 173.6009 69 S 3.8670 8.9877 116.0266 57.8960 62.7360 175.3554 70 I 3.7990 8.0101 120.3586 63.5950 37.3583 176.7256 71 D 4.5040 7.8032 119.2812 55.1815 40.7132 176.5293 72 N 4.7022 7.8071 118.4812 52.6538 39.8158 174.2693 73 E 3.8611 8.5150 122.9052 57.9025 30.5185 178.2188 74 E 4.0734 8.5029 121.8302 58.8088 30.8718 176.4670 75 I 4.4774 7.1829 120.1516 60.0539 38.4742 175.5791 76 I 4.4218 8.1724 127.8740 59.6415 39.8288 174.0991 77 Y 4.6705 8.5303 124.5477 56.1591 40.0824 174.6451 78 I 4.7378 8.4922 124.9584 59.3687 39.8912 174.8914 79 L 4.8816 8.6227 127.0070 52.9527 44.4071 175.0175 80 D 5.3927 9.0561 123.8375 52.4709 43.6904 175.1464 81 Y 4.2262 9.4019 125.7580 57.9634 39.5457 173.8813 82 D 4.6024 8.2463 123.5382 54.6835 44.1167 176.5470 83 D 4.3414 7.6722 116.3596 52.0396 42.4725 175.7530 84 T 4.6157 8.5366 107.5425 63.9331 68.7512 174.5936 85 Q 4.6038 8.4894 119.4018 55.9090 30.0554 174.4475 86 H 5.7152 8.4496 116.1664 54.2413 33.4769 172.5420 87 I 4.8739 8.7751 115.3240 59.3785 41.5697 174.3313 88 L 5.6307 8.4532 122.6560 52.4699 45.4392 175.6106 *90 Q 4.5176 8.5014 117.0829 56.8426 30.7684 174.3830 91 T 4.8485 8.7603 111.0091 60.3517 72.0613 173.2820 92 S 4.4694 8.7781 118.3813 57.7000 66.0256 172.2122 93 S 4.9311 8.2707 111.0168 57.2607 65.1765 174.4075 94 K 4.1239 8.8880 123.1271 59.0707 32.2858 177.7075 95 Q 4.4555 8.7169 114.3051 55.1098 30.9672 175.2406 96 G 4.0204 7.8340 108.1635 44.2459 0.0000 172.6418 97 I 4.2734 8.3270 119.4655 60.5587 39.1030 176.5509 98 G 4.0493 9.6059 110.0905 45.5332 0.0000 172.4616 99 T 4.8831 7.6829 114.3904 61.4995 72.2372 174.4803 100 S 4.4723 8.9729 121.0746 57.8646 64.2823 174.1782 101 R 4.1991 8.3599 119.6715 55.4265 30.6175 175.0787 102 P 4.4620 0.0000 0.0000 62.8939 32.5276 175.6647 103 I 4.5320 8.3190 123.6261 59.4047 40.2053 174.7790 104 V 4.4346 8.4062 127.0184 62.7840 32.5578 174.5071 105 Y 4.8584 9.3938 125.5841 56.2289 40.9531 174.2063 106 E 5.2093 9.3086 125.4645 54.4662 32.0368 174.9937 107 R 3.8849 8.8461 127.7766 56.3241 30.7251 176.3051 108 L 4.2320 8.3973 125.8326 54.8966 41.3860 176.6037 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 Y 8.00 4.89 0.00 2.88 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 3 Q 8.68 4.63 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 4 L 8.67 5.02 0.00 1.53 1.39 0.71 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.81 4.55 0.00 2.11 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.62 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 6 F 8.72 5.08 0.00 3.20 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 7 I 9.04 4.20 1.62 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.61 0.02 0.00 0.00 8 N 9.23 5.29 0.00 3.05 2.84 0.00 0.00 6.76 6.27 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 9 L 8.85 4.59 0.00 1.77 1.74 0.74 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.48 4.74 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 0.82 0.00 0.00 1.07 0.00 0.00 11 Y 8.00 4.68 0.00 3.06 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 12 D 8.56 4.56 0.00 2.73 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 13 T 8.42 4.26 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 1.25 0.00 0.00 14 T 8.00 4.11 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 1.21 0.00 0.00 15 K 7.84 4.38 0.00 1.85 1.91 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.57 1.57 7.81 16 L 7.51 4.68 0.00 1.77 1.56 0.85 0.86 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 17 T 8.62 4.20 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 1.21 0.00 0.00 18 H 8.66 4.12 0.00 3.16 3.37 0.00 5.62 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 19 L 7.89 3.96 0.00 1.74 1.64 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.24 3.90 0.00 2.17 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 2.21 2.28 0.00 21 Q 8.21 3.98 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 22 T 7.83 3.87 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 1.24 0.00 0.00 23 N 8.24 4.31 0.00 2.86 2.94 0.00 0.00 7.16 7.44 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 24 I 7.81 3.84 1.76 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.70 0.78 0.00 0.00 25 N 8.12 4.50 0.00 2.83 2.90 0.00 0.00 7.09 7.28 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 26 L 7.27 3.98 0.00 0.50 0.45 0.14 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 27 F 7.80 4.52 0.00 3.17 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 *29 G 7.70 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.00 5.63 0.00 2.45 2.62 0.00 0.00 6.61 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 9.29 5.77 0.00 3.27 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 32 S 9.74 5.45 0.00 4.04 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 33 N 9.19 4.93 0.00 1.57 2.23 0.00 0.00 7.44 7.43 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 34 H 8.90 4.82 0.00 3.26 3.35 0.00 5.95 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 35 Q 8.07 3.97 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 36 L 8.38 4.09 0.00 1.55 1.65 0.87 0.89 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 37 Q 7.12 2.00 0.00 1.88 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.76 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 38 K 7.55 5.17 0.00 1.81 1.64 0.00 1.74 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.62 7.81 39 S 9.51 5.60 0.00 4.05 3.71 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 40 I 9.03 4.91 1.74 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.71 0.70 0.00 0.00 41 C 8.97 5.13 0.00 3.02 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 42 I 8.97 4.97 2.24 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 1.15 0.86 0.86 0.00 0.00 43 R 8.90 4.78 0.00 1.94 1.80 0.00 3.15 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 44 H 8.94 4.92 0.00 3.16 3.17 0.00 5.73 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.70 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 0.00 0.00 0.00 0.00 46 D 8.56 4.76 0.00 2.72 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 47 D 8.76 4.40 0.00 2.66 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.81 4.42 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 1.18 0.00 0.00 49 S 7.75 4.18 0.00 3.97 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 50 H 8.43 4.53 0.00 3.12 3.25 0.00 5.85 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 51 N 8.54 4.25 0.00 3.12 3.31 0.00 0.00 6.80 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 52 Q 7.67 4.99 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 53 Y 9.11 5.10 0.00 2.83 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 54 H 9.42 5.18 0.00 3.30 3.28 0.00 5.77 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.21 4.56 1.78 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.65 0.89 0.00 0.00 56 L 9.09 4.46 0.00 1.67 1.79 0.95 0.87 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 57 F 7.90 4.87 0.00 3.02 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 58 I 7.78 4.20 1.62 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.58 0.81 0.00 0.00 59 D 8.61 4.27 0.00 2.85 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 60 T 8.19 3.99 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 1.11 0.00 0.00 61 A 8.10 4.05 1.21 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 0.00 0.00 62 H 8.22 4.82 0.00 3.37 3.34 0.00 5.81 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.13 3.53 0.00 2.40 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 64 R 8.42 5.49 0.00 1.81 1.86 0.00 3.22 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 65 I 8.09 5.04 1.80 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.91 0.83 0.00 0.00 66 K 8.87 5.14 0.00 1.78 1.67 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.33 1.50 7.81 67 F 8.41 5.49 0.00 3.36 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 68 S 9.39 5.33 0.00 3.99 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 69 S 8.99 3.87 0.00 3.42 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.01 3.80 1.85 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 1.42 0.65 0.93 0.00 0.00 71 D 7.80 4.50 0.00 2.67 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 72 N 7.81 4.70 0.00 2.80 2.69 0.00 0.00 6.83 7.67 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 73 E 8.51 3.86 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 74 E 8.50 4.07 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 75 I 7.18 4.48 1.80 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 1.15 0.66 0.39 0.00 0.00 76 I 8.17 4.42 1.70 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.55 0.78 0.00 0.00 77 Y 8.53 4.67 0.00 1.44 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 0.00 0.00 0.00 78 I 8.49 4.74 1.78 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.35 0.91 0.00 0.00 79 L 8.62 4.88 0.00 0.77 1.17 0.83 0.96 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 80 D 9.06 5.39 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 81 Y 9.40 4.23 0.00 2.98 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 82 D 8.25 4.60 0.00 2.56 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 7.67 4.34 0.00 2.87 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 84 T 8.54 4.62 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 1.34 0.00 0.00 85 Q 8.49 4.60 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 86 H 8.45 5.72 0.00 3.07 3.17 0.00 5.75 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 87 I 8.78 4.87 1.79 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.75 0.32 0.00 0.00 88 L 8.45 5.63 0.00 1.63 1.66 0.93 0.78 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 *90 Q 8.50 4.52 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.85 0.00 0.00 0.00 0.00 0.00 2.52 2.37 0.00 91 T 8.76 4.85 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 1.23 0.00 0.00 92 S 8.78 4.47 0.00 3.71 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 93 S 8.27 4.93 0.00 4.00 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 94 K 8.89 4.12 0.00 1.76 2.07 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.40 7.81 95 Q 8.72 4.46 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.50 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 96 G 7.83 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 97 I 8.33 4.27 1.85 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 1.33 0.95 0.89 0.00 0.00 98 G 9.61 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 99 T 7.68 4.88 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 1.22 0.00 0.00 100 S 8.97 4.47 0.00 3.83 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 0.00 101 R 8.36 4.20 0.00 1.72 1.90 0.00 3.21 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 102 P 0.00 4.46 0.00 1.95 2.00 0.00 3.62 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 2.03 2.12 0.00 103 I 8.32 4.53 2.04 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 1.24 1.24 0.77 0.00 0.00 104 V 8.41 4.43 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 0.86 0.00 0.00 0.94 0.00 0.00 105 Y 9.39 4.86 0.00 2.82 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 0.00 106 E 9.31 5.21 0.00 2.09 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 2.20 2.19 0.00 107 R 8.85 3.88 0.00 1.30 1.77 0.00 3.06 0.00 0.00 2.90 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.50 0.00 108 L 8.40 4.23 0.00 1.47 1.45 0.87 0.79 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 * Residues marked with a * may have inaccurate shift predictions.