NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4672 8.2893 120.3257 55.7818 32.0853 174.0516 2 D 4.6125 8.5093 121.7259 52.4663 39.8665 174.9794 3 K 4.6970 7.9868 118.2795 55.0785 36.1296 176.9085 4 V 4.0269 8.0341 122.9002 61.9195 32.9271 174.5479 5 Y 4.7324 8.5590 126.9545 56.2241 38.1576 175.0581 6 L 4.2789 7.7379 125.4334 54.4530 42.3806 177.8723 7 T 4.3263 9.3641 114.8963 60.6245 70.1861 175.8581 8 W 4.4265 8.7898 121.7641 59.6725 29.0426 178.6489 9 W 5.1308 8.5916 128.0237 60.5642 30.1993 177.9615 10 Q 4.0386 8.3694 118.4728 58.7038 28.3119 178.5689 11 V 3.8749 8.0165 119.4545 65.8961 31.6052 177.9701 12 D 4.3889 8.9744 119.1785 57.6287 40.8646 178.9439 13 R 3.8999 7.8822 118.2688 59.1842 29.9845 179.0648 14 A 3.9566 8.2620 120.5535 55.0316 18.4096 179.7432 15 I 3.7615 7.6058 118.2467 64.3559 37.0717 178.5697 16 F 4.4076 8.1883 118.5589 60.2498 38.1471 177.6777 17 A 4.0140 8.0576 120.6495 55.2292 18.2431 179.7617 18 L 3.9218 7.8444 116.7267 57.5080 41.5952 179.6676 19 A 3.9613 7.8316 120.8814 55.1426 18.1188 179.4639 20 E 3.9260 7.6973 116.0875 59.6298 30.0078 179.5524 21 K 4.2510 7.6682 117.5684 59.3234 32.0524 179.4837 22 L 3.9131 7.7324 119.2257 57.3752 41.2252 179.5703 23 R 3.9451 7.8006 117.7060 59.2534 30.0188 178.4388 24 E 4.1224 7.5755 116.4324 59.6534 29.5653 178.5487 25 Y 4.3289 7.9660 117.7399 57.7318 40.3265 175.0220 26 K 3.7209 7.6298 117.8689 56.5268 29.5339 172.7585 27 P 4.3163 0.0000 0.0000 62.6105 32.4143 176.3446 28 D 4.8556 8.9744 121.6731 55.6123 42.4693 177.2491 29 V 4.6478 7.5504 115.9626 60.5402 34.8965 172.8602 30 I 4.8614 8.5834 123.8170 59.8192 39.8212 174.6947 31 I 4.7282 8.7872 128.6430 59.5496 38.8010 174.8951 32 G 4.0259 8.9885 116.3656 45.6120 0.0000 171.3886 33 V 4.6045 8.5049 125.5276 61.0290 32.7586 175.2867 34 A 4.3654 8.4821 130.3657 52.5747 18.8536 177.8321 35 R 4.3561 8.7566 118.1020 58.5065 30.6809 179.6200 36 G 3.9833 7.6780 105.8112 46.5041 0.0000 175.2882 37 G 4.2330 7.8763 108.5723 46.6243 0.0000 175.5875 38 L 3.9491 7.9054 121.8614 57.4382 41.5461 179.0495 39 I 3.4180 6.7108 118.8247 64.0892 36.9420 176.7176 40 P 4.1980 0.0000 0.0000 65.3186 31.2548 178.5565 41 A 3.9218 7.7951 119.5993 55.0006 18.3902 179.8773 42 V 3.3970 8.0679 117.0495 66.2380 31.6315 178.3243 43 R 3.9198 7.6341 117.3597 59.5068 29.8642 179.1553 44 L 3.9698 8.0954 118.6088 57.5331 41.5697 179.3982 45 S 4.0372 7.9537 113.3673 61.6131 61.7385 176.0536 46 H 4.5032 7.8948 119.6963 58.6265 28.3860 177.7702 47 I 3.8468 7.7509 120.2501 63.8573 37.2914 177.0243 48 L 4.5838 8.1396 119.2860 54.4896 43.1113 176.4683 49 G 3.7821 7.9603 101.3833 48.0043 0.0000 174.0150 50 D 4.7530 8.2530 112.7341 53.6736 38.8168 174.2693 51 I 4.1692 7.4492 110.9958 59.6798 39.2667 175.1954 52 P 4.2469 0.0000 0.0000 63.7742 31.9446 174.2753 53 L 5.1825 8.4739 124.3142 53.2974 43.9738 175.3384 54 K 4.7579 9.1650 125.2555 54.5360 35.7494 175.0849 55 V 4.8279 8.3027 122.0605 61.1584 34.2580 174.5203 56 I 4.8558 8.5102 126.4747 59.2427 41.7172 173.2200 57 D 5.0301 8.9447 127.8671 52.4711 43.9575 174.1722 58 V 4.5275 8.4798 125.5554 60.8692 34.1058 174.4889 59 K 4.2494 8.4234 128.0439 54.6393 35.1989 174.8321 60 F 4.6236 8.7769 126.8890 56.2328 39.2514 175.5483 61 Y 4.8510 8.2127 121.5952 57.3708 39.8946 177.0803 62 K 4.6489 8.0546 123.4403 56.0430 32.1143 178.7022 63 G 3.5719 8.8126 107.3342 45.1568 0.0000 172.1650 *66 E 3.9593 8.5293 123.9023 57.2161 30.5846 176.9836 67 R 3.9701 8.7787 116.0264 56.3338 28.5456 176.1986 68 G 4.3442 7.7936 106.8333 44.1113 0.0000 171.4177 69 E 4.6504 8.8018 119.7747 56.8591 32.3957 175.5211 70 K 4.4638 7.5685 118.0805 53.7882 35.3359 172.9790 71 P 3.7401 0.0000 0.0000 64.4722 31.3184 175.8715 72 V 4.2080 8.2638 124.3564 61.2243 34.1049 174.8306 73 I 4.6138 8.1138 128.1944 60.0971 36.2800 175.4961 74 T 4.0054 8.3981 123.4366 66.2355 68.9702 174.4770 75 I 4.4758 7.6548 125.2083 58.8591 39.4604 173.3713 76 P 4.8949 0.0000 0.0000 61.9479 33.0556 175.0705 77 I 4.4619 8.0160 113.3915 59.5625 39.5475 174.4758 78 H 4.9727 8.5007 121.7188 54.3387 32.2748 170.2763 79 G 4.1111 8.7654 113.7931 45.5002 0.0000 173.4692 80 D 4.5811 8.4955 122.6177 53.2945 40.3180 175.9955 81 L 4.5110 8.1553 119.9274 54.1749 41.9406 176.6275 82 K 3.8554 7.8859 119.6205 57.4240 32.4400 176.0382 83 D 4.4544 9.0178 126.1648 54.9132 37.5392 174.0904 84 K 4.8227 7.3716 116.7713 54.9766 37.5099 177.2592 85 R 4.4588 9.3648 124.3829 55.6055 31.0217 175.6298 86 V 4.9571 8.8862 125.3162 61.2763 34.0651 174.9198 87 V 4.9761 8.4989 125.3009 60.0481 34.6959 174.1566 88 I 4.7937 9.1801 125.8278 59.6255 39.3563 174.5715 89 V 5.4341 8.5016 127.1245 60.5077 33.9911 173.9086 90 D 5.0275 8.3692 125.5501 52.8496 44.6959 175.3759 91 D 4.4819 8.8080 122.1625 56.1639 40.6077 176.5655 92 V 4.9759 7.4866 115.8790 60.7955 34.5181 174.5452 93 S 4.1154 8.5445 119.1899 57.2556 61.6435 173.4195 94 D 4.4590 8.6615 125.6112 54.6001 42.2720 177.8205 95 T 4.3347 7.9325 108.3713 61.6600 70.5355 176.7407 96 G 3.9695 8.2765 109.1379 44.8869 0.0000 174.5579 97 K 3.7937 8.0080 121.3994 59.8106 31.9911 178.8668 98 T 4.1733 7.7829 115.1929 66.8893 68.6707 176.5872 99 L 4.0204 8.0434 120.3285 57.9504 41.6670 179.4247 100 E 3.9703 8.4328 118.5136 59.4468 29.2172 179.5582 101 V 3.6356 7.3462 116.0801 65.8428 31.8273 177.9527 102 V 3.7141 7.9917 117.9543 66.2798 31.5315 177.7683 103 I 3.6600 8.2399 119.8446 64.8237 36.9854 177.9376 104 E 4.0246 8.1329 119.5263 59.1131 29.2206 178.6791 105 E 4.0353 8.1512 118.3327 58.9437 29.6886 179.2121 106 V 3.7155 7.6810 117.9472 66.0671 31.7476 177.8844 107 K 3.7697 7.9489 118.0831 59.4950 31.7559 178.7540 108 K 4.1453 7.9454 117.4558 57.8956 32.4027 177.4555 109 L 4.6903 8.8476 118.3368 54.6567 42.1696 177.4336 110 G 3.7007 8.4677 108.2387 44.8486 0.0000 172.8652 111 A 4.1883 7.9085 121.1085 52.0095 18.5476 177.6586 112 K 4.1526 8.9362 124.9785 59.3960 32.5989 176.3064 113 E 4.9215 8.2625 119.1415 54.8054 33.7133 173.6186 114 I 5.1920 8.3256 123.3152 59.5371 41.0705 174.6944 115 K 4.5483 9.1350 126.3184 54.6471 36.2258 174.6645 116 I 5.0669 9.2854 126.1995 59.4690 40.4006 174.4240 117 A 5.4449 9.3473 128.1270 50.5940 22.4346 174.6479 118 C 5.8470 9.0674 117.9739 57.5703 32.9870 175.3370 119 L 4.3169 8.7936 120.1682 57.8489 42.8667 176.5740 120 A 5.5260 8.3924 119.0270 51.5148 23.4831 174.6363 121 M 4.7589 8.6054 114.1500 54.4634 34.8947 173.9778 122 K 4.6708 7.6815 118.7915 52.9784 34.1790 175.8521 123 P 4.0133 0.0000 0.0000 65.0129 31.3288 177.0518 124 W 4.6813 6.8351 112.0332 56.2055 28.8491 176.3623 125 T 4.2715 7.7095 114.0059 62.1637 67.1098 173.7340 126 S 4.5210 8.4961 119.9608 58.3448 63.6712 174.7184 127 V 4.1505 7.5158 120.8410 60.7918 31.6383 173.7154 128 V 3.7506 8.0112 125.3649 61.1526 32.1092 174.3065 129 P 4.4596 0.0000 0.0000 62.5857 31.8887 176.3165 130 D 4.3312 8.5137 121.5024 56.8743 41.6105 176.4692 131 Y 4.9146 7.9986 116.0312 56.3963 41.9293 174.4075 132 Y 5.7846 8.0171 119.9131 57.7788 40.3392 173.7440 133 V 3.9755 8.8094 118.0535 63.7205 33.9624 175.4346 134 F 5.1213 8.6245 118.5711 55.7203 41.6231 174.9814 135 R 5.0818 8.3142 121.5286 55.0746 32.9386 174.0473 136 T 4.3218 8.0786 118.0779 62.0405 71.0382 173.2011 137 E 4.1702 8.7623 122.8866 56.3858 31.3883 176.9802 138 K 4.3506 7.3695 117.4263 55.4374 33.0434 176.0603 139 W 4.3082 8.5369 130.6433 57.3540 31.8507 174.7074 140 I 4.1014 7.0661 127.7515 59.8669 38.0206 175.4087 141 V 3.9032 7.8499 127.8700 60.7932 32.5076 175.4241 142 F 3.8369 8.2743 127.5354 56.0291 39.2050 175.1550 143 P 3.9135 0.0000 0.0000 65.1214 30.8704 177.5251 144 W 4.8365 7.3762 112.3371 56.4090 28.5061 175.5077 145 E 4.7367 7.5233 118.5141 54.9236 31.1038 175.5533 146 E 4.2025 8.4684 120.8324 55.5020 31.0508 175.6925 147 F 5.2508 7.9714 118.6785 55.5513 40.9334 174.5411 148 P 4.6196 0.0000 0.0000 62.1913 32.1715 175.7955 149 V 4.3252 8.0625 119.4427 61.2819 33.4041 175.3698 150 I 4.2790 8.1840 126.2295 59.9725 37.5609 175.0461 151 E 4.6675 8.3365 124.8524 54.0264 30.9223 175.5928 152 K 3.6590 8.0512 119.4547 55.9630 32.7550 177.0409 153 E 4.1231 8.0576 124.4484 57.1832 29.6161 174.8198 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 1 M 8.29 4.47 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 2 D 8.51 4.61 0.00 2.85 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 3 K 7.99 4.70 0.00 1.53 1.30 0.00 1.65 0.00 0.00 1.40 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.37 7.81 4 V 8.03 4.03 1.79 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 0.66 0.00 0.00 0.82 0.00 0.00 5 Y 8.56 4.73 0.00 2.72 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 6 L 7.74 4.28 0.00 1.05 1.37 0.26 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 7 T 9.36 4.33 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 1.30 0.00 0.00 8 W 8.79 4.43 0.00 3.58 3.38 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 9 W 8.59 5.13 0.00 3.43 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 10 Q 8.37 4.04 0.00 2.38 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 11 V 8.02 3.87 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 1.40 0.00 0.00 1.09 0.00 0.00 12 D 8.97 4.39 0.00 3.38 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 13 R 7.88 3.90 0.00 1.53 1.67 0.00 2.59 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.50 0.00 14 A 8.26 3.96 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.61 3.76 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.25 0.69 0.00 0.00 16 F 8.19 4.41 0.00 3.14 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 17 A 8.06 4.01 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 18 L 7.84 3.92 0.00 1.82 1.66 1.02 0.93 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 A 7.83 3.96 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.70 3.93 0.00 2.04 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 2.37 2.50 0.00 21 K 7.67 4.25 0.00 1.70 1.42 0.00 1.53 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.61 7.81 22 L 7.73 3.91 0.00 1.79 1.65 0.84 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.80 3.95 0.00 1.96 1.99 0.00 3.26 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 24 E 7.58 4.12 0.00 2.23 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 2.37 2.48 0.00 25 Y 7.97 4.33 0.00 2.98 3.17 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 26 K 7.63 3.72 0.00 1.75 1.70 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.56 7.81 27 P 0.00 4.32 0.00 2.08 2.14 0.00 3.67 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.49 0.00 28 D 8.97 4.86 0.00 2.68 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 29 V 7.55 4.65 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 0.68 0.00 0.00 1.01 0.00 0.00 30 I 8.58 4.86 1.86 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 1.24 0.69 0.89 0.00 0.00 31 I 8.79 4.73 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.83 0.91 0.00 0.00 32 G 8.99 4.03 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 0.00 0.00 0.00 33 V 8.50 4.60 2.21 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 1.04 0.00 0.00 0.93 0.00 0.00 34 A 8.48 4.37 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 35 R 8.76 4.36 0.00 1.92 2.02 0.00 3.34 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 36 G 7.68 3.98 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 0.00 0.00 0.00 37 G 7.88 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 38 L 7.91 3.95 0.00 1.61 1.59 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 39 I 6.71 3.42 0.71 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.83 0.89 0.00 0.00 40 P 0.00 4.20 0.00 2.10 2.07 0.00 3.41 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 41 A 7.80 3.92 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 42 V 8.07 3.40 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 0.96 0.00 0.00 0.86 0.00 0.00 43 R 7.63 3.92 0.00 1.94 1.87 0.00 3.12 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 44 L 8.10 3.97 0.00 1.65 1.69 0.89 0.58 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 45 S 7.95 4.04 0.00 3.93 3.88 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 46 H 7.89 4.50 0.00 3.41 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.75 3.85 1.89 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.65 1.05 0.00 0.00 48 L 8.14 4.58 0.00 1.69 1.68 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.96 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 50 D 8.25 4.75 0.00 2.87 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 51 I 7.45 4.17 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.51 0.98 0.00 0.00 52 P 0.00 4.25 0.00 2.12 2.25 0.00 3.74 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 2.17 1.99 0.00 53 L 8.47 5.18 0.00 1.59 1.53 0.95 0.50 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 54 K 9.16 4.76 0.00 1.67 1.63 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.33 7.81 55 V 8.30 4.83 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 0.75 0.00 0.00 0.90 0.00 0.00 56 I 8.51 4.86 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 1.08 1.42 0.97 0.00 0.00 57 D 8.94 5.03 0.00 2.74 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.48 4.53 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 0.49 0.00 0.00 0.89 0.00 0.00 59 K 8.42 4.25 0.00 1.55 0.97 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 1.07 7.81 60 F 8.78 4.62 0.00 2.96 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 61 Y 8.21 4.85 0.00 3.07 2.82 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 62 K 8.05 4.65 0.00 1.75 1.12 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.38 7.81 63 G 8.81 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 3.96 0.00 2.01 1.85 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 2.27 2.28 0.00 67 R 8.78 3.97 0.00 1.91 1.97 0.00 2.64 0.00 0.00 2.45 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.96 0.00 68 G 7.79 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 0.00 0.00 0.00 0.00 69 E 8.80 4.65 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 2.21 2.35 0.00 70 K 7.57 4.46 0.00 1.75 1.79 0.00 1.82 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 71 P 0.00 3.74 0.00 1.77 1.26 0.00 3.79 0.00 0.00 3.78 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 72 V 8.26 4.21 1.93 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 0.99 0.00 0.00 1.12 0.00 0.00 73 I 8.11 4.61 1.83 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 1.26 0.65 0.89 0.00 0.00 74 T 8.40 4.01 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 1.27 0.00 0.00 75 I 7.65 4.48 1.92 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 1.39 0.90 0.94 0.00 0.00 76 P 0.00 4.89 0.00 1.88 2.00 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 77 I 8.02 4.46 1.85 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 1.30 0.68 0.90 0.00 0.00 78 H 8.50 4.97 0.00 3.13 3.23 0.00 5.79 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.77 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 0.00 0.00 0.00 80 D 8.50 4.58 0.00 2.97 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 81 L 8.16 4.51 0.00 1.75 1.72 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 82 K 7.89 3.86 0.00 1.73 1.88 0.00 1.61 0.00 0.00 0.66 0.00 0.00 3.12 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.52 7.81 83 D 9.02 4.45 0.00 2.88 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 84 K 7.37 4.82 0.00 1.83 1.63 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.62 7.81 85 R 9.36 4.46 0.00 1.63 1.37 0.00 2.96 0.00 0.00 2.83 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.45 0.00 86 V 8.89 4.96 2.26 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 1.10 0.00 0.00 1.02 0.00 0.00 87 V 8.50 4.98 2.26 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 0.98 0.00 0.00 0.97 0.00 0.00 88 I 9.18 4.79 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.64 0.92 0.00 0.00 89 V 8.50 5.43 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 1.05 0.00 0.00 0.93 0.00 0.00 90 D 8.37 5.03 0.00 2.79 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 91 D 8.81 4.48 0.00 1.84 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 92 V 7.49 4.98 2.28 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 0.99 0.00 0.00 0.83 0.00 0.00 93 S 8.54 4.12 0.00 3.85 3.64 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 94 D 8.66 4.46 0.00 2.74 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 95 T 7.93 4.33 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 1.31 0.00 0.00 96 G 8.28 3.97 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 0.00 0.00 0.00 97 K 8.01 3.79 0.00 1.66 1.48 0.00 1.11 0.00 0.00 0.61 0.00 0.00 2.43 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.74 1.21 7.81 98 T 7.78 4.17 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 1.32 0.00 0.00 99 L 8.04 4.02 0.00 1.69 1.74 0.91 0.95 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 0.00 100 E 8.43 3.97 0.00 2.30 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 2.35 2.45 0.00 101 V 7.35 3.64 2.28 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 0.78 0.00 0.00 1.15 0.00 0.00 102 V 7.99 3.71 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 1.06 0.00 0.00 0.99 0.00 0.00 103 I 8.24 3.66 2.04 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 1.41 1.07 0.92 0.00 0.00 104 E 8.13 4.02 0.00 2.31 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 0.00 2.32 2.40 0.00 105 E 8.15 4.04 0.00 2.13 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 2.55 2.44 0.00 106 V 7.68 3.72 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 1.09 0.00 0.00 0.99 0.00 0.00 107 K 7.95 3.77 0.00 1.88 1.87 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.67 7.81 108 K 7.95 4.15 0.00 2.08 1.95 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 109 L 8.85 4.69 0.00 1.87 1.65 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.47 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.91 4.19 1.35 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 0.00 112 K 8.94 4.15 0.00 1.86 2.08 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.46 7.81 113 E 8.26 4.92 0.00 2.07 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 2.36 2.39 0.00 114 I 8.33 5.19 1.89 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 1.27 0.83 0.93 0.00 0.00 115 K 9.13 4.55 0.00 0.93 1.25 0.00 1.19 0.00 0.00 1.06 0.00 0.00 2.78 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.96 1.23 7.81 116 I 9.29 5.07 1.97 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 1.16 0.49 0.92 0.00 0.00 117 A 9.35 5.44 1.27 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 0.00 118 C 9.07 5.85 0.00 2.89 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 0.00 119 L 8.79 4.32 0.00 2.02 2.08 1.10 0.77 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 0.00 120 A 8.39 5.53 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.61 4.76 0.00 1.51 1.66 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.81 0.00 122 K 7.68 4.67 0.00 0.79 0.74 0.00 2.03 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.15 0.84 7.81 123 P 0.00 4.01 0.00 1.99 2.10 0.00 2.66 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.93 0.00 124 W 6.84 4.68 0.00 3.33 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 0.00 125 T 7.71 4.27 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 126 S 8.50 4.52 0.00 4.04 3.97 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 0.00 127 V 7.52 4.15 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 0.77 0.00 0.00 0.98 0.00 0.00 128 V 8.01 3.75 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 0.88 0.00 0.00 0.89 0.00 0.00 129 P 0.00 4.46 0.00 2.36 2.03 0.00 3.58 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 1.87 2.04 0.00 130 D 8.51 4.33 0.00 1.98 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 0.00 0.00 0.00 131 Y 8.00 4.91 0.00 2.92 2.72 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 0.00 132 Y 8.02 5.78 0.00 2.96 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 0.00 133 V 8.81 3.98 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 -0.12 0.00 0.00 0.81 0.00 0.00 134 F 8.62 5.12 0.00 3.06 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 0.00 135 R 8.31 5.08 0.00 1.95 1.81 0.00 3.39 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 136 T 8.08 4.32 4.16 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 1.08 0.00 0.00 137 E 8.76 4.17 0.00 2.20 2.28 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 2.32 2.35 0.00 138 K 7.37 4.35 0.00 1.71 1.89 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.38 7.81 139 W 8.54 4.31 0.00 3.42 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 0.00 140 I 7.07 4.10 0.76 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.21 -0.38 0.00 0.00 141 V 7.85 3.90 1.27 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 1.05 0.00 0.00 0.58 0.00 0.00 142 F 8.27 3.84 0.00 1.51 1.45 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 0.00 143 P 0.00 3.91 0.00 0.49 0.85 0.00 2.88 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.85 0.00 144 W 7.38 4.84 0.00 3.48 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.52 4.74 0.00 1.99 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 2.33 1.97 0.00 146 E 8.47 4.20 0.00 1.96 1.86 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 2.28 2.33 0.00 147 F 7.97 5.25 0.00 3.09 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 0.00 148 P 0.00 4.62 0.00 2.06 1.99 0.00 3.74 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 2.02 2.11 0.00 149 V 8.06 4.33 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 0.85 0.00 0.00 0.98 0.00 0.00 150 I 8.18 4.28 1.87 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 1.42 0.99 0.90 0.00 0.00 151 E 8.34 4.67 0.00 2.08 1.85 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 2.23 2.31 0.00 152 K 8.05 3.66 0.00 1.74 1.75 0.00 1.90 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.48 7.81 153 E 8.06 4.12 0.00 2.07 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 2.22 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.