NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 G 3.9209 8.3501 109.7361 45.4706 0.0000 172.9480 7 A 4.5736 8.1785 121.7453 49.8203 22.0951 174.3428 8 R 4.7018 8.9869 120.6014 54.3946 35.2408 173.2607 9 I 4.1426 8.1832 121.7212 60.5408 38.0724 175.4103 10 K 4.6617 8.1469 124.5895 54.3258 35.4892 175.6853 11 T 3.9234 8.3497 119.7634 63.4890 69.0062 174.0410 12 L 4.3586 8.4370 128.7151 55.1412 43.2782 175.6217 13 S 5.2327 8.5555 119.4122 56.8050 66.5374 173.2614 14 V 4.5229 8.9073 121.2115 61.4016 34.5869 174.2404 15 S 5.3113 8.7582 122.9757 57.0526 65.2909 173.7767 16 R 4.7091 8.8213 122.1809 53.4623 33.3693 173.2012 17 P 4.8947 0.0000 0.0000 63.2068 32.3330 175.6052 18 I 5.0498 9.1978 121.5935 59.5889 42.0979 173.5805 19 I 5.4488 9.3220 129.2266 59.8471 40.1914 174.1929 20 Y 4.9876 8.7692 123.6118 55.8336 41.8003 174.7777 21 G 3.2654 6.4448 107.3378 44.7979 0.0000 171.7081 22 N 6.2508 8.7477 119.0443 50.6535 41.3557 174.1499 23 T 5.2496 8.7860 109.6096 60.4259 72.3856 172.6076 24 A 5.3879 9.1074 123.0900 50.7566 23.2714 175.1709 25 K 4.7551 9.4538 120.8307 54.6812 36.2062 176.9557 26 K 3.7455 8.4521 127.1481 55.4769 33.9681 175.4494 *28 G 3.9231 8.1870 107.5465 44.2172 0.0000 173.3677 29 S 4.4826 8.6088 112.8300 58.3734 65.7653 175.2948 30 V 4.2552 7.6891 119.8279 60.4500 32.7575 174.7833 31 K 4.5395 8.2363 125.9445 53.8250 34.2634 173.9401 32 P 4.5314 0.0000 0.0000 61.5756 32.0791 175.5241 33 P 4.3661 0.0000 0.0000 65.8970 31.3356 178.8717 34 N 4.8979 7.8025 115.6473 51.7275 39.2768 174.5465 35 A 4.3553 7.7826 120.5677 50.1313 20.4210 176.3758 36 P 3.9866 0.0000 0.0000 62.7810 31.8457 177.4317 37 A 3.9222 8.4726 125.4038 55.0808 18.4144 178.0020 38 E 4.3490 7.5928 112.1302 56.7111 29.9879 176.2987 39 H 4.4551 7.7198 117.7155 56.1057 29.2734 175.1603 40 T 4.6859 8.8359 112.3387 61.9976 71.6302 173.4617 41 H 5.2748 9.0398 119.0961 53.8966 33.0585 172.5856 42 L 5.2394 8.9615 121.7028 53.2332 43.8772 175.7261 43 W 5.7539 8.9245 119.3583 55.3193 32.3592 173.7456 44 T 5.1940 9.1056 118.1719 61.9967 71.1735 172.6739 45 I 4.9592 8.7882 127.4025 59.5115 40.2927 174.2332 46 F 5.6712 8.4476 122.2640 55.8643 41.7152 173.0132 47 V 5.3028 9.3426 120.5352 61.4361 33.9558 174.7216 48 R 4.9602 10.2330 124.4108 55.1402 33.9574 174.0625 49 G 4.6302 8.6750 106.2407 43.7627 0.0000 171.6515 50 P 4.3945 0.0000 0.0000 64.0131 31.7090 176.6357 51 Q 3.2250 9.1603 117.8629 56.3106 26.2155 172.8427 52 N 4.2975 8.0553 113.4710 54.3152 37.9376 174.2858 53 E 4.2542 7.9597 112.9884 54.9782 30.4678 175.9583 54 D 4.5421 8.7278 119.9853 55.0918 41.6698 176.1943 55 I 4.6475 8.4369 116.9690 60.4430 39.0401 177.0623 56 S 5.2190 8.7518 114.9515 60.1980 63.0803 174.9242 57 Y 4.4390 8.0568 118.7449 58.9452 38.1344 176.6293 58 F 4.8801 7.3410 114.0088 56.6332 40.2492 174.7765 59 I 4.3648 7.1418 123.5835 59.6700 37.7149 176.1190 60 K 4.1212 8.9613 128.4645 58.9791 32.8596 176.9971 61 K 4.7099 7.4402 118.7592 55.0948 35.9115 174.4862 62 V 4.5447 8.5773 125.6679 60.9308 34.6846 174.0703 63 V 4.6343 8.7952 127.9230 61.0599 34.1867 174.0699 64 F 5.1352 8.9844 127.1192 55.7246 40.9441 174.8110 65 K 4.6480 9.1006 127.5432 55.7286 32.9222 176.3268 66 L 4.9149 8.7842 128.3322 53.0412 43.9678 176.1713 67 H 3.9613 8.0448 119.3499 56.7393 29.8749 175.5373 68 D 4.5727 8.3384 125.2330 56.1108 40.7242 177.3645 69 T 4.0598 7.7754 109.0258 63.3946 69.2126 174.0242 70 Y 4.3923 8.1114 121.3723 55.9183 39.0543 173.6109 71 P 4.3157 0.0000 0.0000 64.1762 32.3663 176.1344 72 N 4.1722 8.8618 117.0647 54.0754 35.8331 173.0317 73 P 4.2067 0.0000 0.0000 64.5891 33.3005 177.7099 74 V 4.3408 7.3249 121.0560 62.2432 31.7811 175.6157 75 R 4.5608 8.7995 128.8983 54.5794 32.1828 175.3894 76 S 4.7232 8.6872 120.0540 57.0322 63.6322 173.2216 77 I 4.4733 8.8435 129.6566 60.2199 38.1458 176.3520 78 E 4.5424 9.0771 125.8535 56.3466 30.4913 175.8495 79 A 4.6591 7.4632 120.4697 49.5578 22.2181 174.2149 80 P 3.5666 0.0000 0.0000 61.1676 32.0756 174.6700 81 P 4.1745 0.0000 0.0000 63.1069 32.2117 177.3069 82 F 5.0103 8.3770 121.6955 56.4752 37.0289 173.7030 83 E 5.4704 8.0841 117.7614 54.7763 33.8398 175.7150 84 L 4.6732 8.8457 121.5905 53.9481 45.8670 174.5251 85 T 4.8412 8.4560 122.4506 61.9411 70.7046 173.3228 86 E 4.5209 8.3150 125.0222 54.8357 34.5459 174.2414 87 T 4.8533 7.8039 110.9291 60.5372 71.5885 173.5301 88 G 4.3097 8.4218 108.5444 46.2074 0.0000 173.7975 89 W 5.4750 8.9926 112.6800 54.4654 29.5327 175.0431 90 G 4.2859 8.1869 106.4362 44.2172 0.0000 171.7319 91 E 4.3452 8.5578 120.2257 55.1662 30.9278 175.6158 92 F 4.9708 7.2170 118.3711 55.6028 42.1746 172.8121 93 D 4.8594 8.9213 119.5421 54.2104 41.6408 176.0363 94 I 4.6855 8.6609 124.4936 59.5028 40.0776 174.1829 95 N 4.9924 8.6893 126.5265 52.7248 40.1516 173.8581 96 I 4.2866 8.2825 128.8202 60.0015 38.7838 175.1351 97 K 4.4480 8.8323 128.2443 54.6428 33.9707 175.6863 98 V 4.1054 8.1833 126.3447 61.2591 33.5346 173.9028 99 Y 4.4480 8.7458 126.4598 56.2319 39.4988 175.6828 100 F 5.0237 8.3817 123.1873 56.5991 40.5117 175.7520 101 V 3.8751 9.1172 121.5363 63.3057 32.1009 177.1986 102 E 4.0442 9.0295 123.9732 59.0232 29.7589 178.8989 103 E 4.0183 8.1893 118.0698 58.8643 29.7756 177.9556 104 A 2.6726 7.7446 121.5462 52.8230 18.7195 176.8838 105 N 4.0844 7.3680 112.7041 55.1036 37.8093 173.2718 106 E 4.7761 7.5426 115.0944 54.2295 32.9133 176.8076 107 K 4.2445 8.3384 120.7447 55.6544 32.9960 177.0545 108 V 3.3231 7.8944 120.3058 63.3627 32.1041 174.9494 109 L 4.5054 8.3597 129.9382 53.9491 43.1374 174.7813 110 N 5.2068 8.6782 124.4332 52.2368 40.1555 174.4681 111 F 5.0608 8.3612 116.7223 55.8040 42.2117 172.1194 112 Y 4.9747 8.7277 120.4262 56.3056 40.5429 174.1155 113 H 4.5190 8.4781 125.5282 54.1456 33.3854 171.9633 114 R 4.1127 7.8359 126.4950 54.9339 30.3960 175.5353 115 L 3.8535 7.9344 130.2468 55.2503 42.9659 175.6620 116 R 4.7560 8.5066 125.7306 54.6314 31.3875 175.8186 117 L 4.4363 9.0888 123.6351 55.4720 43.8758 176.6712 118 H 4.9619 7.8742 113.5504 53.0004 30.6273 172.9454 119 P 4.1570 0.0000 0.0000 62.9100 31.7381 175.6586 *144 E 4.2539 8.4366 121.7485 56.0365 30.7159 174.7513 145 V 4.6703 8.4795 125.6816 61.2652 34.3573 174.4265 146 S 5.0978 8.4372 119.8949 56.9551 66.3155 173.5471 147 S 4.4044 9.3968 117.4850 56.4690 64.2926 172.1917 148 V 4.6958 7.8983 125.5411 60.9161 34.5062 173.9434 149 Y 4.5310 8.9046 124.4018 56.1437 41.2987 174.5528 150 F 5.7333 9.0088 125.7608 56.7327 39.8935 173.9145 151 D 5.3176 8.9112 127.1172 52.4775 44.6798 173.7429 152 E 4.8926 8.5033 120.4151 55.6933 32.8038 176.0426 153 I 3.9855 8.8034 128.7910 60.3353 38.5340 174.8979 154 V 4.2937 8.0331 127.8631 61.6010 32.7284 174.9071 155 F 4.6693 9.3009 127.8148 56.2003 40.3066 174.4861 156 N 4.8001 8.9435 123.2428 53.0541 39.8896 174.7106 157 E 3.8320 8.6162 125.2212 56.7876 27.7131 173.7201 158 P 4.5730 0.0000 0.0000 62.4391 32.7376 177.1731 159 N 4.6541 8.6676 118.9784 52.3968 39.5695 175.7524 160 E 3.9344 8.7138 121.6868 59.7712 29.2676 178.9520 161 E 4.0655 8.2799 117.9668 59.4564 29.5096 179.0163 162 F 4.4666 8.9491 120.9627 61.1584 39.2069 176.8471 163 F 3.7610 8.3829 119.9193 61.0503 39.1930 176.5589 164 K 4.0221 8.0228 118.0389 59.7187 32.0562 178.4710 165 I 3.9744 7.1862 117.9621 64.1915 37.0859 179.2386 166 L 3.7606 7.1929 116.9932 55.2664 41.7342 178.5693 *168 S 4.3007 7.9821 116.0906 57.7837 64.7240 174.2479 169 R 3.8982 7.6512 121.5165 56.6130 29.9884 175.9204 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 6 G 8.35 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 7 A 8.18 4.57 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 8 R 8.99 4.70 0.00 1.74 1.77 0.00 3.20 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 9 I 8.18 4.14 1.86 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 1.29 0.48 0.90 0.00 0.00 10 K 8.15 4.66 0.00 1.64 1.60 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.43 7.81 11 T 8.35 3.92 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 1.28 0.00 0.00 12 L 8.44 4.36 0.00 1.73 1.52 0.89 0.66 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 13 S 8.56 5.23 0.00 3.97 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 14 V 8.91 4.52 2.10 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 0.84 0.00 0.00 1.06 0.00 0.00 15 S 8.76 5.31 0.00 3.76 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 16 R 8.82 4.71 0.00 1.58 1.72 0.00 3.14 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.72 0.00 17 P 0.00 4.89 0.00 2.50 2.14 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.11 0.00 18 I 9.20 5.05 2.11 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.63 1.04 0.00 0.00 19 I 9.32 5.45 2.11 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.88 1.06 0.00 0.00 20 Y 8.77 4.99 0.00 3.29 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 21 G 6.44 3.27 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 0.00 22 N 8.75 6.25 0.00 2.85 2.74 0.00 0.00 6.52 7.31 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 23 T 8.79 5.25 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 1.34 0.00 0.00 24 A 9.11 5.39 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 25 K 9.45 4.76 0.00 1.77 1.61 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.38 7.81 26 K 8.45 3.75 0.00 1.69 1.70 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.27 7.81 *28 G 8.19 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 29 S 8.61 4.48 0.00 3.94 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 30 V 7.69 4.26 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 0.84 0.00 0.00 0.93 0.00 0.00 31 K 8.24 4.54 0.00 1.75 1.68 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.43 7.81 32 P 0.00 4.53 0.00 2.00 1.97 0.00 3.66 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 1.99 2.04 0.00 33 P 0.00 4.37 0.00 2.15 2.15 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 34 N 7.80 4.90 0.00 2.67 2.80 0.00 0.00 6.82 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 35 A 7.78 4.36 1.19 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 36 P 0.00 3.99 0.00 1.34 1.59 0.00 3.40 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 37 A 8.47 3.92 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 38 E 7.59 4.35 0.00 1.26 1.90 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 2.13 2.23 0.00 39 H 7.72 4.46 0.00 3.25 3.24 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.84 4.69 4.42 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 1.47 0.00 0.00 41 H 9.04 5.27 0.00 3.33 3.38 0.00 5.60 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 42 L 8.96 5.24 0.00 1.60 1.57 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 43 W 8.92 5.75 0.00 3.40 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 44 T 9.11 5.19 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 1.37 0.00 0.00 45 I 8.79 4.96 1.85 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.11 0.37 0.00 0.00 46 F 8.45 5.67 0.00 3.29 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 47 V 9.34 5.30 2.32 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 1.03 0.00 0.00 1.16 0.00 0.00 48 R 10.23 4.96 0.00 1.93 2.19 0.00 2.79 0.00 0.00 3.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.76 0.00 49 G 8.67 4.63 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 50 P 0.00 4.39 0.00 2.31 2.21 0.00 4.06 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 51 Q 9.16 3.22 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 52 N 8.06 4.30 0.00 2.82 2.84 0.00 0.00 7.09 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 53 E 7.96 4.25 0.00 2.22 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 2.59 2.43 0.00 54 D 8.73 4.54 0.00 2.73 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 55 I 8.44 4.65 1.54 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 1.69 1.36 1.22 0.00 0.00 56 S 8.75 5.22 0.00 4.21 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 0.00 57 Y 8.06 4.44 0.00 3.24 3.32 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 58 F 7.34 4.88 0.00 3.31 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 59 I 7.14 4.36 1.48 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.06 0.21 0.00 0.00 60 K 8.96 4.12 0.00 1.78 2.11 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.40 7.81 61 K 7.44 4.71 0.00 1.69 1.34 0.00 0.91 0.00 0.00 1.37 0.00 0.00 2.55 0.00 0.00 2.17 0.00 0.00 0.00 0.00 1.38 1.49 7.81 62 V 8.58 4.54 1.87 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 0.22 0.00 0.00 0.19 0.00 0.00 63 V 8.80 4.63 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 0.95 0.00 0.00 0.84 0.00 0.00 64 F 8.98 5.14 0.00 3.14 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 65 K 9.10 4.65 0.00 1.89 1.84 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.51 7.81 66 L 8.78 4.91 0.00 1.49 1.40 0.78 1.32 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 67 H 8.04 3.96 0.00 1.51 2.72 0.00 5.67 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.34 4.57 0.00 2.61 2.69 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 69 T 7.78 4.06 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 1.33 0.00 0.00 70 Y 8.11 4.39 0.00 3.12 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 71 P 0.00 4.32 0.00 2.21 2.07 0.00 4.04 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 72 N 8.86 4.17 0.00 2.92 2.87 0.00 0.00 6.89 8.03 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 73 P 0.00 4.21 0.00 2.28 2.38 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 74 V 7.32 4.34 2.10 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 0.78 0.00 0.00 0.95 0.00 0.00 75 R 8.80 4.56 0.00 2.04 1.95 0.00 3.38 0.00 0.00 3.15 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 76 S 8.69 4.72 0.00 3.81 3.74 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 77 I 8.84 4.47 2.24 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.32 1.13 0.00 0.00 78 E 9.08 4.54 0.00 1.97 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 2.24 2.22 0.00 79 A 7.46 4.66 1.14 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 0.00 0.00 80 P 0.00 3.57 0.00 1.93 1.47 0.00 3.60 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 81 P 0.00 4.17 0.00 2.33 2.04 0.00 3.67 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 82 F 8.38 5.01 0.00 3.48 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 83 E 8.08 5.47 0.00 2.13 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 0.00 2.21 2.32 0.00 84 L 8.85 4.67 0.00 1.76 1.27 0.84 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.46 4.84 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 1.12 0.00 0.00 86 E 8.32 4.52 0.00 1.16 1.12 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 1.87 2.04 0.00 87 T 7.80 4.85 4.34 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 1.18 0.00 0.00 88 G 8.42 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 0.00 0.00 0.00 0.00 89 W 8.99 5.47 0.00 3.49 3.25 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 90 G 8.19 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 0.00 0.00 0.00 0.00 91 E 8.56 4.35 0.00 1.81 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 2.15 2.23 0.00 92 F 7.22 4.97 0.00 3.15 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 93 D 8.92 4.86 0.00 2.77 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 94 I 8.66 4.69 1.76 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.49 1.08 0.00 0.00 95 N 8.69 4.99 0.00 2.83 2.71 0.00 0.00 6.76 8.44 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 96 I 8.28 4.29 0.71 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 1.45 0.43 0.29 0.00 0.00 97 K 8.83 4.45 0.00 1.56 1.50 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.22 7.81 98 V 8.18 4.11 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 0.42 0.00 0.00 0.80 0.00 0.00 99 Y 8.75 4.45 0.00 2.86 2.75 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 0.00 100 F 8.38 5.02 0.00 2.91 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 0.00 101 V 9.12 3.88 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 1.05 0.00 0.00 1.04 0.00 0.00 102 E 9.03 4.04 0.00 2.20 2.22 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 2.39 2.36 0.00 103 E 8.19 4.02 0.00 2.06 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 0.00 2.39 2.42 0.00 104 A 7.74 2.67 0.22 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 0.00 105 N 7.37 4.08 0.00 2.77 2.77 0.00 0.00 7.05 8.16 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 0.00 106 E 7.54 4.78 0.00 2.11 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 0.00 2.08 2.04 0.00 107 K 8.34 4.24 0.00 1.75 1.72 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.43 7.81 108 V 7.89 3.32 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 0.14 0.00 0.00 0.12 0.00 0.00 109 L 8.36 4.51 0.00 1.98 1.46 0.97 0.88 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 0.00 110 N 8.68 5.21 0.00 2.62 2.66 0.00 0.00 6.94 7.45 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 0.00 111 F 8.36 5.06 0.00 2.98 2.88 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 0.00 0.00 0.00 112 Y 8.73 4.97 0.00 2.97 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 0.00 113 H 8.48 4.52 0.00 3.30 2.98 0.00 5.82 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 0.00 114 R 7.84 4.11 0.00 1.75 1.70 0.00 3.26 0.00 0.00 3.32 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 115 L 7.93 3.85 0.00 0.95 0.65 -0.01 -1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 116 R 8.51 4.76 0.00 1.65 1.75 0.00 3.28 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 117 L 9.09 4.44 0.00 1.06 1.20 0.91 1.19 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 0.00 118 H 7.87 4.96 0.00 3.12 3.20 0.00 5.72 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 0.00 119 P 0.00 4.16 0.00 2.05 2.01 0.00 3.77 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 2.06 2.12 0.00 *144 E 8.44 4.25 0.00 1.97 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 2.21 2.57 0.00 145 V 8.48 4.67 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 0.93 0.00 0.00 1.04 0.00 0.00 146 S 8.44 5.10 0.00 3.89 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 0.00 147 S 9.40 4.40 0.00 3.80 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 0.00 148 V 7.90 4.70 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 0.97 0.00 0.00 1.03 0.00 0.00 149 Y 8.90 4.53 0.00 1.57 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 0.00 150 F 9.01 5.73 0.00 2.86 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 0.00 151 D 8.91 5.32 0.00 2.84 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 0.00 152 E 8.50 4.89 0.00 1.82 1.69 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 2.11 2.27 0.00 153 I 8.80 3.99 1.67 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.58 0.16 0.00 0.00 154 V 8.03 4.29 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 0.76 0.00 0.00 0.89 0.00 0.00 155 F 9.30 4.67 0.00 3.10 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 0.00 156 N 8.94 4.80 0.00 2.73 2.73 0.00 0.00 7.43 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 0.00 157 E 8.62 3.83 0.00 2.13 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 2.27 2.24 0.00 158 P 0.00 4.57 0.00 2.31 2.19 0.00 3.92 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 159 N 8.67 4.65 0.00 3.06 3.03 0.00 0.00 5.85 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 0.00 160 E 8.71 3.93 0.00 2.05 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 2.43 2.38 0.00 161 E 8.28 4.07 0.00 2.26 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 2.45 2.42 0.00 162 F 8.95 4.47 0.00 3.25 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 0.00 163 F 8.38 3.76 0.00 3.04 3.24 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 0.00 164 K 8.02 4.02 0.00 1.89 2.10 0.00 1.90 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.52 7.81 165 I 7.19 3.97 2.08 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.83 1.18 0.00 0.00 166 L 7.19 3.76 0.00 1.21 1.16 -0.24 0.03 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 *168 S 7.98 4.30 0.00 3.90 3.83 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 0.00 169 R 7.65 3.90 0.00 1.83 1.81 0.00 3.17 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 * Residues marked with a * may have inaccurate shift predictions.