NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.0693 8.3444 119.6581 55.9921 30.0486 173.9798 3 Y 4.4980 7.6570 120.4816 55.8466 41.9642 172.4225 4 A 4.3863 7.7426 127.2468 51.2656 23.0107 175.6053 5 T 4.2981 8.1142 117.7736 61.5018 69.3978 174.7184 6 L 4.1419 8.2947 127.5068 54.6722 42.1719 177.2088 7 E 4.2405 8.8489 122.0120 55.8848 30.6470 175.7612 8 L 3.7827 8.0945 118.0571 56.0388 38.9822 174.2508 9 N 5.0055 8.0850 109.1911 52.2157 39.3997 173.5690 10 N 4.9759 8.4006 116.7322 51.6836 40.7362 175.6561 11 A 4.3523 8.6768 124.7296 54.4870 19.7832 177.2507 12 F 4.6690 7.6513 115.3673 57.5113 42.0064 173.4636 13 K 4.2752 8.3505 128.5901 54.1733 35.0631 176.3879 14 V 3.4546 8.1306 126.0928 63.1881 32.7465 176.2864 *15 L 4.3478 8.0175 120.8861 53.7467 42.7418 176.3201 16 F 4.8953 6.6456 113.4975 56.5655 40.8633 172.7800 17 S 5.3716 8.6083 116.3748 56.9439 66.2858 173.9671 18 L 4.3486 9.2322 124.1542 55.5165 45.2625 176.0661 19 R 3.6264 9.6965 126.2947 57.6824 27.5318 176.2462 20 Q 3.8218 7.9801 112.4377 56.2468 26.8356 173.2738 21 V 5.0801 7.9092 118.2798 61.1231 34.7751 174.0730 22 Q 5.1550 9.4394 128.2984 54.3239 30.9834 173.7404 23 A 4.8829 8.5408 127.3430 50.4408 21.8539 175.4583 24 A 4.5284 8.3601 121.1934 50.4470 23.2602 174.8747 25 E 4.6562 8.6407 122.3071 55.1330 31.8877 174.8382 26 M 5.3093 8.9003 125.5695 53.4278 36.0306 173.4620 27 V 4.7930 8.6482 125.9851 61.2076 34.5733 173.9616 28 I 4.6991 8.7139 129.2806 59.3101 39.2490 175.5608 29 A 4.4696 8.5577 128.7667 50.7404 19.9389 174.8195 30 P 4.4881 0.0000 0.0000 63.6424 31.6804 177.5637 31 G 3.9163 9.0003 111.3944 45.4672 0.0000 172.9705 32 D 4.9816 7.8438 120.1222 53.3108 43.2246 175.3205 33 R 5.1933 8.1520 114.6954 55.0894 32.9088 174.3176 34 E 4.5437 9.2458 119.4216 54.6676 33.6113 174.8481 35 G 4.0146 8.7551 112.5192 45.1236 0.0000 173.9630 36 G 4.2764 8.0269 115.0718 44.3544 0.0000 170.8980 37 P 4.5106 0.0000 0.0000 62.9626 32.3883 175.5230 38 D 5.0118 8.3570 121.7027 53.7711 39.6579 176.3880 39 N 4.8694 8.7396 116.1199 52.5032 38.0008 175.9830 40 R 4.0626 8.7453 119.8446 58.8940 30.7501 175.5356 41 H 5.1841 7.6574 114.3000 54.0638 32.0555 173.4913 42 R 3.9034 8.3804 121.3804 57.4418 30.2536 178.3442 43 G 3.9244 8.7310 113.5981 46.5539 0.0000 172.4955 44 A 4.8897 8.1478 121.8050 50.7568 22.7529 175.4506 45 D 4.7787 9.2970 121.5368 54.2722 42.7641 175.3002 46 Q 4.9138 9.1673 123.2889 54.2101 32.0468 173.8824 47 W 5.1675 9.4153 127.1771 54.9558 31.5996 174.7974 48 L 5.2524 9.4432 127.0211 53.1881 44.8615 174.5677 49 F 5.3866 9.2380 128.5071 56.4437 42.2554 173.9967 50 V 3.9514 7.9853 126.8759 62.0907 31.9732 176.4450 51 V 3.6994 8.5479 129.1335 65.3644 32.2599 175.7379 52 D 4.6307 7.8095 117.7690 53.7673 45.6423 175.9235 53 G 4.0128 9.5779 106.7512 44.8245 0.0000 172.0903 54 A 4.7770 7.8110 118.0881 50.3192 22.8098 175.9380 55 G 4.3309 8.5610 105.4039 46.2637 0.0000 171.9913 56 E 5.2756 8.4462 118.4212 55.3827 33.6761 174.3356 57 A 5.0313 8.9714 123.5868 50.4838 21.7180 175.8819 58 I 4.7877 8.8344 124.2587 59.5501 39.7297 175.2943 59 V 4.4801 8.1589 127.8768 59.5705 33.6710 176.3296 60 D 4.3873 8.8006 127.8384 55.7524 39.8490 175.0468 61 G 4.1261 9.1381 115.1830 46.1230 0.0000 171.9656 62 H 5.0417 8.1031 114.8275 53.6479 31.8072 171.8164 63 T 5.1923 8.2124 108.9080 59.9896 72.1584 173.1514 64 Q 4.4756 8.8439 122.6667 54.1590 32.1467 174.1039 65 A 4.5787 8.8395 128.6946 52.1645 19.4575 176.2717 66 L 4.9430 9.1990 121.1148 53.0110 45.5867 175.7808 67 Q 5.0356 9.3285 119.7564 54.0900 33.0528 173.9073 68 A 3.9335 8.4401 122.2994 53.8946 18.5003 177.9815 69 G 4.0647 8.6045 112.5469 44.8919 0.0000 174.0912 70 S 4.3598 8.0157 117.1839 58.4824 64.0406 173.0952 71 L 5.4125 8.5616 125.2320 53.4118 44.7011 175.2080 72 I 4.7030 9.1007 125.7138 59.0451 41.8316 173.6945 73 A 4.5485 8.3590 129.2094 50.0925 21.0987 175.3529 74 I 4.1561 8.4608 124.5011 59.5262 39.0219 175.4809 75 E 4.5114 8.6996 128.9129 55.7770 30.1954 176.6910 76 R 4.1167 8.3820 122.8211 56.8195 30.0883 176.8748 77 G 3.9307 9.0906 107.9433 45.5836 0.0000 172.9378 78 Q 4.5584 7.6819 117.2374 53.2817 31.7656 175.0859 79 A 4.3518 8.5437 125.1148 52.3866 19.5783 175.8408 80 H 5.2808 8.5109 116.2255 55.1265 31.9254 172.1374 81 E 4.9243 9.0082 116.2067 55.3022 33.5358 173.7118 82 I 5.0802 8.8228 121.6596 59.4956 40.3117 175.0206 83 R 4.9450 8.8828 122.5184 54.3719 33.3246 174.1112 84 N 4.9077 9.0098 121.4308 52.7092 39.2717 174.7939 85 T 4.4394 8.1861 116.6798 61.2506 69.3023 174.9403 86 G 4.2024 7.6403 111.6805 44.8213 0.0000 173.6254 87 D 4.9002 8.5738 118.5688 53.9741 41.2961 175.8842 88 T 4.8125 7.3769 108.3633 58.7696 72.1772 171.8232 89 P 4.2377 0.0000 0.0000 63.2195 32.2789 176.2245 90 L 4.5382 8.9134 126.6287 53.8112 42.8134 174.6684 91 K 4.8564 8.7424 126.9990 55.2541 33.6412 176.2042 92 T 5.2739 9.0860 115.0974 59.8492 73.0622 172.9711 93 V 4.7334 8.5905 121.7286 60.0340 34.2984 174.2686 94 N 5.5675 9.0773 120.7315 51.3994 42.8185 173.2705 95 F 5.1669 9.1025 120.0825 55.9200 42.8444 173.4965 96 Y 5.4725 9.5471 121.2837 56.5602 41.1720 174.4281 97 H 5.4263 9.3066 123.2295 54.0241 33.0820 171.2644 98 P 5.7503 0.0000 0.0000 60.7684 33.1796 173.8746 99 P 4.5456 0.0000 0.0000 63.4763 31.3584 176.7085 100 A 4.3501 8.7787 124.0846 51.9934 20.6432 175.4076 101 Y 5.1521 7.3936 111.6604 55.9072 42.1618 174.4183 102 D 4.7499 8.8557 121.7853 51.8789 41.1279 177.2777 103 A 4.0107 8.5245 121.2952 55.0899 18.2283 178.3672 104 Q 4.2229 8.2925 112.3194 56.2072 29.2140 176.5643 105 G 4.0219 8.5058 106.8180 45.2359 0.0000 172.9726 106 E 4.4794 8.5370 120.7231 53.8644 30.7687 173.8022 107 P 4.6267 0.0000 0.0000 62.7878 32.1163 176.2160 108 L 4.4318 8.4707 123.3160 53.6009 42.9980 174.9810 109 P 4.7473 0.0000 0.0000 62.4063 32.2493 176.0312 110 A 4.0224 8.3816 124.3964 53.7071 19.0574 177.8205 111 G 3.6197 8.4935 109.4554 46.3275 0.0000 173.3876 112 E 4.0853 8.0956 122.3217 56.6225 29.3555 174.9767 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 Q 8.34 4.07 0.00 1.37 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 1.98 2.17 0.00 3 Y 7.66 4.50 0.00 2.94 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 4 A 7.74 4.39 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.11 4.30 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 6 L 8.29 4.14 0.00 1.58 1.65 0.80 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 7 E 8.85 4.24 0.00 2.06 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 2.25 2.26 0.00 8 L 8.09 3.78 0.00 1.75 1.69 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.09 5.01 0.00 2.73 2.82 0.00 0.00 6.21 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.40 4.98 0.00 2.73 2.69 0.00 0.00 6.89 7.61 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 11 A 8.68 4.35 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 7.65 4.67 0.00 2.88 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.35 4.28 0.00 1.68 1.41 0.00 1.62 0.00 0.00 1.49 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.18 1.25 7.81 14 V 8.13 3.45 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 *15 L 8.02 4.35 0.00 1.45 1.47 0.92 0.76 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 16 F 6.65 4.90 0.00 3.27 3.14 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 0.00 0.00 0.00 17 S 8.61 5.37 0.00 3.93 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 18 L 9.23 4.35 0.00 1.93 1.57 0.95 1.21 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 19 R 9.70 3.63 0.00 1.93 1.94 0.00 3.36 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 20 Q 7.98 3.82 0.00 2.36 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 21 V 7.91 5.08 2.25 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 1.14 0.00 0.00 0.88 0.00 0.00 22 Q 9.44 5.15 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 23 A 8.54 4.88 0.62 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 0.00 0.00 24 A 8.36 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.64 4.66 0.00 1.87 1.61 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 2.15 2.16 0.00 26 M 8.90 5.31 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.42 0.00 27 V 8.65 4.79 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 0.93 0.00 0.00 0.99 0.00 0.00 28 I 8.71 4.70 1.87 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 1.18 0.55 0.94 0.00 0.00 29 A 8.56 4.47 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 30 P 0.00 4.49 0.00 2.04 2.19 0.00 3.77 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 31 G 9.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.84 4.98 0.00 2.83 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 33 R 8.15 5.19 0.00 1.74 1.83 0.00 2.96 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 1.48 1.64 0.00 34 E 9.25 4.54 0.00 1.84 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 2.20 2.39 0.00 35 G 8.76 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.03 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 37 P 0.00 4.51 0.00 2.20 1.92 0.00 4.19 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 38 D 8.36 5.01 0.00 2.76 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 39 N 8.74 4.87 0.00 2.81 2.92 0.00 0.00 5.91 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.75 4.06 0.00 1.85 1.85 0.00 3.07 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 41 H 7.66 5.18 0.00 2.89 3.45 0.00 5.90 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.38 3.90 0.00 2.03 1.74 0.00 3.34 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 43 G 8.73 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.15 4.89 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 45 D 9.30 4.78 0.00 2.83 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 9.17 4.91 0.00 2.29 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.22 2.00 0.00 47 W 9.42 5.17 0.00 3.38 3.22 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 0.00 48 L 9.44 5.25 0.00 1.73 1.52 1.02 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 49 F 9.24 5.39 0.00 3.29 3.03 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 50 V 7.99 3.95 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 0.77 0.00 0.00 0.83 0.00 0.00 51 V 8.55 3.70 2.16 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 0.86 0.00 0.00 1.05 0.00 0.00 52 D 7.81 4.63 0.00 2.64 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 9.58 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.81 4.78 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 55 G 8.56 4.33 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 0.00 56 E 8.45 5.28 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 57 A 8.97 5.03 1.23 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 58 I 8.83 4.79 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 1.27 0.76 0.89 0.00 0.00 59 V 8.16 4.48 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.89 0.00 0.00 60 D 8.80 4.39 0.00 2.96 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 0.00 0.00 0.00 61 G 9.14 4.13 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 0.00 0.00 0.00 62 H 8.10 5.04 0.00 3.30 3.33 0.00 5.21 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.21 5.19 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 1.25 0.00 0.00 64 Q 8.84 4.48 0.00 2.14 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 65 A 8.84 4.58 1.23 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 66 L 9.20 4.94 0.00 1.58 1.49 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 9.33 5.04 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 68 A 8.44 3.93 1.22 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 0.00 0.00 0.00 69 G 8.60 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 0.00 0.00 0.00 70 S 8.02 4.36 0.00 3.77 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 71 L 8.56 5.41 0.00 1.90 1.67 1.31 1.15 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 72 I 9.10 4.70 1.87 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 1.07 0.88 0.95 0.00 0.00 73 A 8.36 4.55 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.46 4.16 1.66 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 0.98 0.57 0.64 0.00 0.00 75 E 8.70 4.51 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 76 R 8.38 4.12 0.00 1.90 2.04 0.00 3.15 0.00 0.00 3.09 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.45 0.00 77 G 9.09 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.68 4.56 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 79 A 8.54 4.35 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 H 8.51 5.28 0.00 3.36 3.36 0.00 5.65 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 81 E 9.01 4.92 0.00 2.14 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 2.18 2.29 0.00 82 I 8.82 5.08 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.12 0.93 0.00 0.00 83 R 8.88 4.95 0.00 1.82 1.97 0.00 2.75 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 84 N 9.01 4.91 0.00 2.83 2.89 0.00 0.00 6.78 6.83 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 85 T 8.19 4.44 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 86 G 7.64 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 0.00 0.00 0.00 0.00 87 D 8.57 4.90 0.00 2.64 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 T 7.38 4.81 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 1.21 0.00 0.00 89 P 0.00 4.24 0.00 1.95 2.03 0.00 3.65 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 90 L 8.91 4.54 0.00 1.87 1.72 0.93 0.59 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 91 K 8.74 4.86 0.00 1.86 1.70 0.00 1.89 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.36 7.81 92 T 9.09 5.27 4.35 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 1.19 0.00 0.00 93 V 8.59 4.73 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 1.16 0.00 0.00 0.63 0.00 0.00 94 N 9.08 5.57 0.00 2.49 2.27 0.00 0.00 6.52 8.01 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 95 F 9.10 5.17 0.00 2.92 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 96 Y 9.55 5.47 0.00 3.05 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 97 H 9.31 5.43 0.00 3.33 3.35 0.00 5.60 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 5.75 0.00 2.15 2.08 0.00 3.58 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.83 0.00 99 P 0.00 4.55 0.00 2.00 2.12 0.00 3.69 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 100 A 8.78 4.35 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 7.39 5.15 0.00 2.93 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.86 4.75 0.00 2.92 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 0.00 103 A 8.52 4.01 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 0.00 104 Q 8.29 4.22 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.85 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 105 G 8.51 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 0.00 106 E 8.54 4.48 0.00 2.09 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 2.26 2.31 0.00 107 P 0.00 4.63 0.00 1.53 1.67 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.18 0.00 108 L 8.47 4.43 0.00 1.52 1.54 0.99 0.84 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 0.00 109 P 0.00 4.75 0.00 2.07 2.06 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 110 A 8.38 4.02 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 0.00 111 G 8.49 3.62 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 0.00 0.00 0.00 112 E 8.10 4.09 0.00 2.14 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 2.20 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.