NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.1504 0.0000 0.0000 62.9285 31.9024 175.6653 5 R 4.6853 7.7228 117.1707 55.0064 30.7114 174.5533 6 Y 4.1789 6.9720 114.9729 55.4925 42.3060 172.9127 7 Y 4.9516 8.8397 122.1317 56.0180 41.4080 173.7223 8 E 5.0534 8.0398 126.7098 54.4867 32.0589 173.9257 9 Y 4.7859 8.9047 128.3359 55.9316 41.1635 174.2733 10 R 4.7361 8.1461 125.1579 54.7404 32.8290 175.0832 11 H 4.4802 8.5318 121.8786 54.6482 33.8220 172.0284 12 V 4.2361 7.7570 125.4540 61.0525 32.6178 175.5643 13 V 3.6972 8.2918 129.1268 63.2907 32.1887 175.6065 14 G 3.8089 8.8964 114.7941 44.1920 0.0000 174.4492 15 F 4.4245 8.6359 117.4867 60.3346 39.1077 177.8850 16 E 4.0740 8.3183 120.1521 58.8282 29.6726 177.0838 17 E 4.2237 8.0371 116.2373 57.2362 29.9193 176.4381 18 T 5.5054 7.7994 109.1621 59.5636 70.7672 172.7713 19 N 5.1390 8.1156 118.2661 50.4448 40.3508 174.6788 20 L 3.9575 8.5444 117.2056 59.0049 40.1752 178.4587 21 V 3.7846 7.6826 110.4118 62.0546 31.6062 177.0759 22 G 4.0016 8.6591 109.5389 44.6722 0.0000 172.5318 23 N 5.2369 7.6536 116.7718 50.7783 40.9841 173.4172 24 V 4.4762 8.1734 119.3650 62.6847 32.2887 175.5423 25 Y 4.3264 9.0952 130.5952 57.6727 39.3550 176.1221 26 Y 3.8491 8.3800 124.7024 60.2655 38.1342 178.7843 27 V 3.0788 5.8353 118.8504 65.7503 31.2915 177.5238 28 N 3.7890 7.7840 115.9753 56.1367 37.9025 176.9223 29 Y 3.9074 7.5808 117.5817 60.8712 38.0689 178.0658 30 L 4.1473 7.7887 119.5582 57.4773 41.8545 179.2263 31 R 3.8040 7.6291 118.8881 59.0959 29.9864 178.6193 32 W 4.4675 8.0773 118.6780 59.4716 28.8840 178.5710 33 Q 3.5192 7.7949 118.8717 58.5910 27.9589 178.8751 34 G 3.5518 7.8548 106.2998 47.6373 0.0000 175.5612 35 R 3.7525 7.9259 121.2480 59.1384 30.0841 178.1305 36 C 3.9926 8.1575 119.0021 62.5291 31.7248 175.7678 37 R 4.1758 8.5575 118.4004 59.2844 28.9115 178.4837 38 E 4.1431 8.5679 118.3230 59.1936 29.7374 178.9368 39 M 4.1825 8.2851 119.8677 57.9268 31.9398 178.3597 40 F 2.9999 8.1116 121.0481 60.8874 39.5102 177.1887 41 L 3.6000 7.6916 118.0728 57.7728 41.1846 178.7460 42 Y 4.0993 8.0262 118.6713 60.8422 38.7828 177.7063 43 E 3.9410 8.1187 117.9329 58.0454 29.9165 177.5106 44 H 4.6077 7.7041 113.1205 54.9997 31.5289 174.4431 45 A 4.4750 7.9496 124.6752 48.5932 19.8648 175.8123 46 P 4.1856 0.0000 0.0000 66.1070 31.0933 177.8382 47 E 4.2774 7.9966 118.8146 58.4457 29.2089 178.9646 48 I 3.7379 7.8931 120.4715 63.8168 36.9927 178.0898 49 L 3.9419 7.9005 121.5934 58.2909 42.0995 178.5316 50 D 4.4257 8.1478 118.3156 57.5603 40.6565 178.7748 51 E 4.0813 7.8209 118.3845 59.4043 29.4028 179.0691 52 L 4.4950 8.3464 118.4051 55.8557 41.7887 178.3864 53 R 4.4578 8.1771 116.9547 54.2784 31.1603 176.8641 54 A 4.3106 8.3766 120.4285 52.3731 18.6658 176.8690 55 D 4.8941 9.0422 125.0641 52.0962 42.2054 177.0665 56 L 4.4603 7.8636 122.3168 55.1771 43.7664 175.4571 57 K 4.7048 9.3417 123.5917 54.7455 36.6970 175.3656 58 L 4.9277 8.7177 124.4240 53.3688 42.9627 175.4936 59 F 4.5595 9.1388 128.3140 56.9476 40.9607 174.8655 60 T 4.5187 8.0186 123.6783 63.3572 68.0769 174.6451 61 L 4.6003 9.0122 128.1674 57.0386 42.8282 177.6482 62 K 4.7337 7.8655 118.0880 55.1144 35.8175 174.6372 63 A 5.3454 8.4868 127.7216 50.4554 22.1020 174.9534 64 E 4.7697 9.2483 119.3962 55.4935 33.6321 173.7542 65 C 4.8888 8.2860 119.8848 58.0048 34.9171 172.3403 66 E 4.3112 8.8409 126.7903 54.1690 31.9308 174.2244 67 F 4.4994 8.3016 124.4592 55.7718 40.4604 175.1919 68 F 5.1203 8.8424 121.8019 58.3708 41.1024 175.1139 69 A 4.6407 7.8884 118.7326 51.2967 22.0648 174.1765 70 E 4.8708 8.5223 117.9919 55.1860 32.2050 175.9240 71 L 5.1248 8.5469 119.5388 53.1300 45.7107 175.8078 72 A 5.0803 9.2249 124.2310 49.1509 22.4401 174.3883 73 P 4.1215 0.0000 0.0000 64.1002 31.7732 177.0443 74 F 3.5594 8.1157 120.0967 57.8875 37.1773 174.9849 75 D 4.6315 7.6933 120.9087 54.3354 42.2105 175.4614 76 R 4.6681 8.4158 120.6204 54.9675 31.9419 175.0390 77 L 5.1137 8.9763 126.0186 53.0517 45.3519 174.7583 78 A 4.8362 8.8249 126.4006 50.0781 22.0474 174.9315 79 V 4.5489 8.9557 123.6659 61.3899 33.7483 174.5901 80 R 4.9448 8.9341 128.3630 54.8915 32.0129 174.9163 81 M 4.6966 9.2614 124.9058 53.8530 34.3864 174.9090 82 R 4.4918 8.4032 124.0563 54.0211 34.8368 174.4849 83 L 4.2674 8.0549 123.5334 54.1689 41.8866 176.4263 84 V 3.7661 8.4784 127.9885 65.5772 32.1060 175.9117 85 E 4.7029 7.7366 119.4366 54.6133 33.3624 173.5649 86 L 4.9782 8.4259 126.7197 53.5444 44.4187 175.4820 87 T 4.7721 8.4471 118.6445 59.9353 71.5673 173.7130 88 Q 4.1738 8.7668 118.8790 59.1736 28.9424 177.7001 89 T 4.8576 7.8780 104.2704 61.0793 70.9176 173.4582 90 Q 5.2681 8.6272 121.0592 54.5701 33.5915 174.1016 91 M 5.1860 8.9847 119.3308 53.7204 36.5793 173.8956 92 E 5.0450 9.2518 124.6218 54.4482 32.0883 174.3616 93 L 4.8823 9.3476 127.3756 52.7993 44.8372 175.6081 94 G 4.3148 8.5799 110.2471 44.3982 0.0000 172.1939 95 F 5.2921 9.3113 121.4419 55.5091 42.8632 173.5053 96 D 5.3354 9.1006 123.9813 52.7851 43.4762 174.8588 97 Y 5.1122 9.3467 121.8061 56.5625 39.9769 174.5824 98 L 5.1983 9.0886 125.4231 52.8040 44.9620 175.7942 99 R 4.5777 9.1365 125.1957 55.4363 31.2799 175.1795 100 L 4.7197 8.3221 128.4290 53.1821 41.7904 176.0147 101 G 3.8466 8.5042 117.7080 44.1248 0.0000 173.3210 102 G 3.7996 8.9919 109.3171 48.1599 0.0000 172.6062 103 D 4.8044 7.6356 116.8378 52.2983 44.7097 173.1436 104 D 5.1103 8.4084 122.8431 53.2972 43.0275 175.1218 105 L 4.7947 8.5010 124.0417 53.0541 45.4452 175.1912 106 L 4.8420 8.7266 128.4072 55.0592 41.6549 176.3717 107 V 4.3223 9.1213 120.9640 62.9952 33.0934 175.8476 108 A 4.1274 7.9181 120.0036 51.1688 22.6567 175.0285 109 R 5.2196 8.1418 119.1075 55.2117 34.0732 174.3066 110 G 4.6860 9.8693 112.5070 45.2144 0.0000 170.9163 111 R 5.6152 8.9788 116.7568 55.1138 35.0292 174.8346 112 Q 5.1998 9.4516 119.6351 54.4320 33.9064 173.8669 113 R 5.0587 8.9381 122.0200 54.7026 33.2262 174.2876 114 I 5.2282 9.2111 126.2540 59.4568 41.3987 174.1275 115 A 5.2292 9.2743 126.9226 50.3899 22.1157 175.1193 116 C 4.9125 8.7883 119.8425 59.6174 29.9187 172.9203 117 M 5.3536 9.1073 121.5202 54.2347 36.7418 174.0929 118 R 5.2849 8.7820 118.5084 54.2692 35.1628 174.1302 119 G 4.3529 9.1794 106.7274 42.9908 0.0000 172.2549 120 P 4.2410 0.0000 0.0000 62.0857 31.8470 175.7476 121 N 4.2963 8.7252 120.4941 55.8388 38.9452 174.5643 122 G 4.0795 9.6552 114.2361 45.0829 0.0000 172.7216 123 R 4.8139 8.2141 120.0142 55.7907 29.0893 174.6514 124 T 4.8820 7.9166 108.5450 60.5750 71.7302 174.5405 125 E 4.7815 8.9236 119.0780 53.9048 33.4137 173.0034 126 P 4.9043 0.0000 0.0000 63.0364 32.0192 176.0155 127 V 4.6290 8.4819 116.3581 59.0992 35.4047 175.8351 128 R 4.3023 8.5260 121.1290 56.0268 30.8010 176.9840 129 V 3.6696 8.3438 122.9632 62.7583 32.2019 174.2344 130 P 4.1967 0.0000 0.0000 63.0825 32.0737 176.6760 131 A 4.1090 9.0840 124.7799 55.6453 18.1162 180.0793 132 G 3.5050 7.9913 103.3656 47.7966 0.0000 175.5734 133 L 3.7590 7.7669 122.3138 57.7261 41.9714 178.9781 134 V 3.8095 7.6119 117.3210 66.1381 31.7134 177.9334 135 R 4.0463 8.1404 117.5417 59.2640 29.7234 178.9431 136 A 3.8710 7.7842 119.1754 54.6782 18.5230 178.8540 137 F 4.7003 8.0622 114.6665 58.1736 38.8266 177.3832 138 A 4.0489 7.9788 122.4331 54.9673 17.9899 177.8105 139 P 4.3893 0.0000 0.0000 64.8479 31.6081 177.3158 140 F 4.9613 8.1366 116.7203 57.3364 40.0229 176.2844 141 R 4.1720 7.2691 117.9619 55.8910 30.5423 177.0604 142 S 4.2119 8.7276 118.5693 61.3741 63.2112 175.2337 143 A 4.1974 7.8518 122.0305 52.4079 18.7856 175.7320 144 T 4.2292 8.4814 112.1123 63.7245 70.8669 175.4456 *145 V 3.9054 7.6139 123.2184 60.0919 32.3498 177.1529 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 4 P 0.00 4.15 0.00 2.23 2.12 0.00 3.74 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 1.93 2.01 0.00 5 R 7.72 4.69 0.00 1.94 1.99 0.00 3.22 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.73 0.00 6 Y 6.97 4.18 0.00 2.78 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 7 Y 8.84 4.95 0.00 3.63 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 8 E 8.04 5.05 0.00 2.14 1.71 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 2.10 2.24 0.00 9 Y 8.90 4.79 0.00 3.29 2.89 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 0.00 0.00 0.00 10 R 8.15 4.74 0.00 1.52 1.58 0.00 3.16 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.45 0.00 11 H 8.53 4.48 0.00 2.30 2.32 0.00 5.76 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 12 V 7.76 4.24 1.88 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 0.64 0.00 0.00 0.82 0.00 0.00 13 V 8.29 3.70 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 0.84 0.00 0.00 0.87 0.00 0.00 14 G 8.90 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 15 F 8.64 4.42 0.00 3.25 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 16 E 8.32 4.07 0.00 1.99 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 2.30 2.35 0.00 17 E 8.04 4.22 0.00 2.34 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 2.53 2.33 0.00 18 T 7.80 5.51 4.39 0.00 0.00 0.00 0.00 0.00 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 19 N 8.12 5.14 0.00 2.89 2.95 0.00 0.00 5.66 6.67 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 20 L 8.54 3.96 0.00 1.76 1.86 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.68 3.78 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 0.70 0.00 0.00 1.07 0.00 0.00 22 G 8.66 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 23 N 7.65 5.24 0.00 3.00 3.03 0.00 0.00 5.90 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 24 V 8.17 4.48 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 0.64 0.00 0.00 1.15 0.00 0.00 25 Y 9.10 4.33 0.00 2.92 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.38 3.85 0.00 2.16 2.50 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 0.00 27 V 5.84 3.08 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 0.88 0.00 0.00 0.10 0.00 0.00 28 N 7.78 3.79 0.00 2.17 1.53 0.00 0.00 6.98 7.59 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 29 Y 7.58 3.91 0.00 3.11 2.79 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 0.00 0.00 0.00 0.00 30 L 7.79 4.15 0.00 1.76 1.67 1.05 0.85 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 31 R 7.63 3.80 0.00 1.70 1.71 0.00 3.05 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 32 W 8.08 4.47 0.00 3.80 3.20 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 33 Q 7.79 3.52 0.00 1.81 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.68 2.52 0.00 34 G 7.85 3.55 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 35 R 7.93 3.75 0.00 1.88 1.73 0.00 3.17 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.96 0.00 36 C 8.16 3.99 0.00 3.07 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 37 R 8.56 4.18 0.00 2.25 2.54 0.00 2.96 0.00 0.00 3.45 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.74 0.00 38 E 8.57 4.14 0.00 2.23 2.27 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 2.56 2.39 0.00 39 M 8.29 4.18 0.00 2.41 2.42 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.86 0.00 40 F 8.11 3.00 0.00 2.41 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 41 L 7.69 3.60 0.00 1.94 1.65 0.97 0.76 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 42 Y 8.03 4.10 0.00 2.92 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 43 E 8.12 3.94 0.00 1.75 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 2.41 2.75 0.00 44 H 7.70 4.61 0.00 1.94 2.80 0.00 5.68 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.95 4.47 0.95 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 46 P 0.00 4.19 0.00 2.16 2.29 0.00 3.53 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 47 E 8.00 4.28 0.00 2.01 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 2.35 2.27 0.00 48 I 7.89 3.74 1.92 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 1.46 1.11 0.92 0.00 0.00 49 L 7.90 3.94 0.00 1.80 1.80 0.94 1.30 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 50 D 8.15 4.43 0.00 2.86 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 51 E 7.82 4.08 0.00 2.20 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 2.51 2.48 0.00 52 L 8.35 4.50 0.00 1.74 1.74 0.95 0.48 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 53 R 8.18 4.46 0.00 1.90 1.96 0.00 3.16 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 54 A 8.38 4.31 1.24 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 0.00 0.00 55 D 9.04 4.89 0.00 2.69 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 56 L 7.86 4.46 0.00 1.82 1.63 1.00 0.46 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 57 K 9.34 4.70 0.00 1.72 1.71 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.60 7.81 58 L 8.72 4.93 0.00 1.57 1.70 0.99 0.90 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 59 F 9.14 4.56 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 60 T 8.02 4.52 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 1.25 0.00 0.00 61 L 9.01 4.60 0.00 1.74 1.84 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.87 4.73 0.00 1.84 1.63 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.48 7.81 63 A 8.49 5.35 1.17 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 0.00 0.00 64 E 9.25 4.77 0.00 1.99 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 2.38 2.27 0.00 65 C 8.29 4.89 0.00 2.75 2.31 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 66 E 8.84 4.31 0.00 1.82 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 1.99 2.16 0.00 67 F 8.30 4.50 0.00 2.65 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 68 F 8.84 5.12 0.00 3.08 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 69 A 7.89 4.64 1.32 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 0.00 0.00 70 E 8.52 4.87 0.00 1.92 1.96 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 2.26 2.36 0.00 71 L 8.55 5.12 0.00 1.78 1.63 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 72 A 9.22 5.08 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 73 P 0.00 4.12 0.00 2.10 1.61 0.00 3.83 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 74 F 8.12 3.56 0.00 3.12 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 75 D 7.69 4.63 0.00 2.72 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 76 R 8.42 4.67 0.00 1.70 1.74 0.00 3.02 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 77 L 8.98 5.11 0.00 1.39 1.20 1.02 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.82 4.84 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 0.00 0.00 0.00 0.00 0.00 79 V 8.96 4.55 2.33 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 0.92 0.00 0.00 0.90 0.00 0.00 80 R 8.93 4.94 0.00 1.48 1.37 0.00 2.75 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.37 0.00 81 M 9.26 4.70 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.12 0.00 82 R 8.40 4.49 0.00 1.53 1.55 0.00 3.05 0.00 0.00 3.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.36 0.00 83 L 8.05 4.27 0.00 1.29 1.46 0.37 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.48 3.77 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 0.71 0.00 0.00 0.85 0.00 0.00 85 E 7.74 4.70 0.00 1.99 1.66 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 2.25 2.28 0.00 86 L 8.43 4.98 0.00 1.43 1.45 1.02 0.98 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 87 T 8.45 4.77 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 88 Q 8.77 4.17 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.76 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 89 T 7.88 4.86 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 1.24 0.00 0.00 90 Q 8.63 5.27 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 91 M 8.98 5.19 0.00 1.81 1.96 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 92 E 9.25 5.05 0.00 2.01 1.82 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 2.18 2.27 0.00 93 L 9.35 4.88 0.00 1.50 0.99 1.04 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.58 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 95 F 9.31 5.29 0.00 2.91 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 96 D 9.10 5.34 0.00 2.47 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 97 Y 9.35 5.11 0.00 3.17 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 98 L 9.09 5.20 0.00 1.50 1.55 0.85 0.70 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 99 R 9.14 4.58 0.00 1.91 1.85 0.00 3.29 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 100 L 8.32 4.72 0.00 1.49 1.58 0.86 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.50 3.85 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 0.00 0.00 0.00 102 G 8.99 3.80 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 0.00 0.00 0.00 103 D 7.64 4.80 0.00 2.70 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 0.00 104 D 8.41 5.11 0.00 2.63 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 0.00 105 L 8.50 4.79 0.00 1.78 1.51 0.96 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.73 4.84 0.00 1.74 1.67 1.18 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 107 V 9.12 4.32 2.31 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 0.83 0.00 0.00 1.27 0.00 0.00 108 A 7.92 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 R 8.14 5.22 0.00 2.15 1.88 0.00 3.22 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 110 G 9.87 4.69 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 0.00 0.00 0.00 111 R 8.98 5.62 0.00 1.90 1.97 0.00 3.30 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 112 Q 9.45 5.20 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 113 R 8.94 5.06 0.00 2.03 1.79 0.00 3.06 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 114 I 9.21 5.23 1.98 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.65 1.07 0.00 0.00 115 A 9.27 5.23 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 0.00 116 C 8.79 4.91 0.00 3.16 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 0.00 117 M 9.11 5.35 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.51 0.00 118 R 8.78 5.28 0.00 1.72 1.75 0.00 3.12 0.00 0.00 3.46 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.43 0.00 119 G 9.18 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 0.00 0.00 0.00 0.00 120 P 0.00 4.24 0.00 2.19 2.00 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 121 N 8.73 4.30 0.00 2.70 2.78 0.00 0.00 7.36 7.98 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 0.00 122 G 9.66 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 0.00 123 R 8.21 4.81 0.00 1.72 1.92 0.00 3.29 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 124 T 7.92 4.88 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 1.28 0.00 0.00 125 E 8.92 4.78 0.00 1.98 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 2.18 2.27 0.00 126 P 0.00 4.90 0.00 1.94 2.01 0.00 3.59 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 0.00 127 V 8.48 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 0.75 0.00 0.00 0.98 0.00 0.00 128 R 8.53 4.30 0.00 1.71 1.88 0.00 3.24 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 129 V 8.34 3.67 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 0.87 0.00 0.00 1.07 0.00 0.00 130 P 0.00 4.20 0.00 2.21 1.99 0.00 3.73 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 2.14 2.13 0.00 131 A 9.08 4.11 1.32 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 0.00 0.00 132 G 7.99 3.50 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 0.00 0.00 0.00 0.00 133 L 7.77 3.76 0.00 1.71 1.83 0.52 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.61 3.81 2.27 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 0.96 0.00 0.00 1.05 0.00 0.00 135 R 8.14 4.05 0.00 2.04 1.92 0.00 3.16 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 136 A 7.78 3.87 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 0.00 0.00 0.00 0.00 0.00 137 F 8.06 4.70 0.00 3.36 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 0.00 138 A 7.98 4.05 1.38 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 0.00 0.00 0.00 139 P 0.00 4.39 0.00 2.28 2.16 0.00 3.62 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 1.33 1.80 0.00 140 F 8.14 4.96 0.00 3.12 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 0.00 141 R 7.27 4.17 0.00 1.86 1.88 0.00 3.26 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 142 S 8.73 4.21 0.00 3.85 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 0.00 143 A 7.85 4.20 1.24 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 0.00 0.00 144 T 8.48 4.23 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 *145 V 7.61 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.