NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 I 4.1889 7.8827 121.4573 60.9352 38.1366 175.5668 7 E 3.7868 8.9030 127.4317 58.5843 29.3040 176.8967 8 I 3.8785 8.2306 118.5349 63.5137 38.8268 176.7087 9 A 4.4118 8.2319 121.4451 54.8048 18.0658 179.5123 10 K 3.9068 8.0876 117.5874 59.4308 32.1577 177.5776 11 P 4.0748 0.0000 0.0000 65.4504 31.1574 178.7020 12 F 4.0947 7.6775 116.2727 60.1832 38.8188 177.8718 13 V 3.9233 8.0176 118.0420 66.3741 31.4163 178.1217 14 T 3.8685 8.2426 115.5679 66.7037 68.2356 176.4352 15 A 3.9797 8.0150 122.4635 55.3660 18.4093 179.8072 16 T 3.7886 8.0979 114.4669 67.0277 68.6106 177.0190 17 T 3.9325 8.2074 111.9134 64.8014 68.6578 176.0324 18 N 4.2663 8.3344 119.9503 56.3395 38.8208 177.0825 19 V 3.5591 7.7911 118.5925 66.1057 31.9522 177.7287 20 L 4.1113 7.9748 118.7622 57.5998 41.3986 179.5379 21 S 4.3093 8.3312 114.7456 60.9697 62.1978 175.6819 22 T 4.0432 7.7316 108.3650 62.6691 68.5132 174.8920 *24 A 4.0911 7.7816 122.8070 51.1509 20.1670 177.2912 25 G 3.9939 7.8045 102.8378 46.4022 0.0000 173.7764 26 I 4.4975 7.6909 119.6816 59.1777 39.6860 175.1793 27 Q 4.6322 8.4823 123.9365 53.6734 28.4487 172.9942 28 P 4.8326 0.0000 0.0000 62.2737 32.8371 176.1053 29 I 4.4831 9.0371 125.8283 59.0679 38.3736 173.3763 30 P 4.1896 0.0000 0.0000 62.6616 32.1824 176.6417 31 G 3.9763 8.0616 110.9133 44.5920 0.0000 172.4266 32 Q 4.2007 8.4148 121.1307 55.0248 29.5147 174.4154 33 P 4.7643 0.0000 0.0000 63.0897 32.2606 175.0498 34 Y 4.9257 8.4440 120.0284 55.2823 42.0948 174.0499 35 V 4.2176 8.3860 120.6104 62.1160 32.3811 175.9024 36 K 4.3331 8.8795 128.5503 56.8777 31.9851 177.2606 37 K 4.3385 8.9559 122.5602 56.4565 33.4477 176.1978 38 N 4.8575 7.9185 115.7414 51.3630 39.1111 174.3840 39 N 4.7508 8.4787 114.5219 53.1454 38.0343 174.8715 40 V 4.8259 7.3419 110.5160 60.0656 36.3484 173.8501 41 A 4.7783 8.9965 124.3894 50.0926 21.4434 175.2469 42 K 4.7886 8.3570 123.7503 55.0491 34.5400 175.8777 43 G 4.0147 8.1123 111.6145 46.7563 0.0000 172.3595 44 D 5.1252 9.0377 118.3428 54.8467 43.5024 177.6364 45 V 4.7770 7.8022 117.7778 61.4043 34.9712 174.5590 46 S 5.5188 9.3971 122.7362 56.8774 67.2746 172.7219 47 A 5.3286 9.1115 122.2431 50.6504 22.9415 175.5946 48 V 5.1019 8.7271 118.6138 60.3070 35.4685 174.4473 49 V 4.6460 9.0270 122.9489 60.2341 34.7561 174.6917 50 G 4.2766 8.8753 112.3452 45.9775 0.0000 172.2079 51 I 5.4753 8.7047 114.7810 59.2724 41.5169 174.1801 52 T 5.4534 8.7671 112.9942 60.0054 73.0811 174.8417 53 G 4.1840 9.5429 110.7907 44.7218 0.0000 174.2858 54 H 4.0555 5.6913 120.5889 58.7401 30.1019 174.3081 55 K 4.7955 7.5110 114.7642 54.9179 37.2808 174.8109 56 N 5.0726 8.8172 118.9650 52.5213 40.6888 175.5991 57 G 4.2179 8.5853 106.8312 47.9228 0.0000 171.7928 58 S 5.1778 7.9929 112.7242 57.5019 66.1995 174.7792 59 I 5.1298 8.8484 125.6946 59.5282 40.1297 174.8613 60 S 5.4311 9.4789 121.2949 56.4526 67.0188 173.2258 61 V 4.8459 8.8812 119.9375 60.3246 34.7124 174.3201 62 T 4.9611 8.9460 121.2291 61.7872 71.4567 172.9465 63 F 5.5144 9.3800 125.7443 55.5528 42.3003 175.6743 64 T 4.4356 8.4701 112.4389 61.4848 69.7325 175.3292 65 K 3.8703 9.4185 124.4379 59.8766 32.2714 178.7838 66 Q 3.9539 8.1389 119.1608 59.5108 28.9569 177.9535 67 C 4.1953 7.9266 118.2941 62.3579 31.6452 175.2498 68 A 3.2665 7.9747 122.3663 55.0376 17.8577 179.6455 69 I 3.5365 8.0182 118.3898 64.4305 37.1626 178.5638 70 A 3.8487 7.7747 121.3404 54.9307 17.9003 179.8872 71 V 3.3787 7.4065 115.8945 66.0413 31.6503 178.1916 72 V 3.6250 7.4615 116.7593 65.8601 31.6899 177.7349 73 K 4.0873 8.3472 118.4594 59.2914 31.4188 179.6582 74 A 4.1771 7.7369 117.3582 52.8090 18.0122 178.5303 *76 L 4.1394 7.8203 118.5850 54.8157 43.3554 177.3466 77 G 3.6151 8.4029 108.2415 47.4927 0.0000 175.1482 78 D 4.3520 8.5886 115.3822 53.4981 38.7731 176.6917 79 D 4.7523 7.6410 119.6860 53.9542 39.7403 176.3858 80 I 4.0908 7.3613 120.6208 61.3112 37.8963 176.3709 81 Q 4.3455 8.7890 124.6115 56.6132 30.2473 176.2503 82 D 4.3504 7.8930 116.8669 52.2169 43.3072 174.9972 83 I 3.7338 8.4187 128.4392 64.0615 37.9892 177.6835 84 I 3.6829 7.7393 120.3806 64.3764 37.0074 178.0129 85 Q 3.9585 8.2102 119.7713 59.4807 28.8478 178.0484 86 D 4.3209 8.5401 120.2640 57.4753 40.7483 178.9598 87 T 3.7669 8.0512 116.3986 66.3151 68.4814 176.3424 88 K 3.8081 8.0295 121.5619 59.8428 32.1675 178.4379 89 D 4.2894 8.2650 118.5817 57.2722 40.7685 178.7505 90 A 3.9079 8.1611 121.4133 55.3089 18.4766 179.9421 91 V 3.5933 7.9785 117.0627 65.8189 31.4401 178.3520 92 G 3.6411 8.1977 105.6823 47.7906 0.0000 175.2808 93 E 3.8999 8.0159 120.7059 58.8859 29.7686 178.4917 94 V 3.7231 7.6452 117.1050 66.4929 31.7222 177.8874 95 T 4.1054 8.1052 115.2586 66.5949 68.2604 176.6604 96 N 4.4151 8.1529 115.3422 54.6600 38.7570 176.6475 *98 I 4.0506 7.6375 123.1376 61.5481 39.4358 177.8296 99 S 4.1598 8.4652 114.5801 61.3810 62.1293 176.4774 100 G 3.5788 8.1648 108.2646 48.0894 0.0000 175.7384 101 Q 3.9760 7.9936 120.2008 58.2661 28.7416 178.3849 102 A 3.8243 8.3309 122.3513 55.2149 18.3263 179.9882 103 R 3.7762 8.1319 116.4460 59.0099 30.1364 179.1229 104 A 3.9410 8.1553 120.6636 55.1384 18.1576 179.5909 105 A 3.9211 7.6619 118.2078 55.1538 18.4849 179.5365 106 L 4.0194 7.8813 117.1478 57.9789 41.7534 179.3578 107 S 4.2815 8.1107 112.3185 60.9853 62.5190 176.5437 108 E 4.3428 7.8383 121.7319 55.2787 30.5122 178.0082 *110 G 3.5692 7.8280 105.9922 45.5915 0.0000 171.8588 *112 T 4.1759 7.4711 116.8144 63.7937 70.5371 173.3841 113 F 5.4101 8.8728 124.1091 55.8580 42.6942 174.6310 114 Q 4.6459 9.3465 121.6618 54.7087 31.0956 174.7575 115 G 4.5301 8.5119 107.8275 44.5359 0.0000 173.1313 116 A 4.7051 8.7353 126.7062 51.0107 20.5117 176.6024 117 T 4.3153 8.2521 108.0289 60.8717 69.8776 173.4664 118 P 4.8467 0.0000 0.0000 62.6716 32.8004 175.5567 119 S 4.8268 9.0239 116.6827 56.8030 66.7491 173.3573 120 V 4.8515 8.4206 122.5131 61.3183 33.4986 174.7021 121 I 4.3480 8.8188 127.9200 59.2434 41.0105 174.8563 *123 G 3.8918 8.3785 111.1152 45.2535 0.0000 172.7627 124 D 4.5000 8.7996 125.3410 55.5940 41.2869 176.3839 125 G 3.9064 9.0874 112.1078 46.6977 0.0000 173.4479 126 H 4.7486 7.8372 115.1461 55.2544 30.1412 173.9134 127 T 5.2200 8.4175 108.3692 59.8941 71.6080 173.0116 128 I 4.6616 8.7117 123.0450 59.4023 41.3449 174.2096 129 S 4.9520 8.4858 123.6758 57.0100 66.1659 173.3279 130 H 4.3253 8.9123 121.8141 55.1715 29.3446 175.2906 131 V 4.0985 8.0384 124.4050 62.1294 30.9298 174.4450 132 T 4.5402 7.7234 118.7945 61.2644 69.7588 173.4540 133 K 4.2175 7.9562 125.5861 57.8021 32.6101 177.9951 134 S 4.4047 7.6511 114.9885 57.1792 63.4123 172.3546 135 P 4.3247 0.0000 0.0000 62.7331 31.8979 175.9704 136 V 4.1595 8.0072 120.6681 61.4224 33.6142 174.2952 137 I 4.4750 7.6279 128.3613 59.5478 39.0418 174.4610 138 A 4.8215 8.2166 128.3317 49.8977 22.2568 175.1442 139 I 4.5855 8.6667 122.1192 58.7080 40.3662 173.2977 140 P 4.8578 0.0000 0.0000 62.3103 33.3536 175.1431 141 F 5.1103 8.8744 120.0962 55.6727 43.1774 173.8853 142 K 5.0093 8.7970 121.8373 55.1572 34.6621 175.4900 143 T 5.1192 8.2166 111.7254 60.0112 72.6124 174.4502 144 N 4.5050 9.0766 118.1375 55.5689 38.5776 175.7027 145 H 4.8088 8.6854 115.2882 55.3088 30.0272 173.8733 146 G 3.9315 8.1321 107.3300 44.5063 0.0000 172.7165 147 E 5.1734 8.5247 116.9988 55.5228 31.6551 175.6573 148 F 5.2050 8.5893 116.0017 56.1218 42.2596 173.1140 149 T 5.1460 8.9533 115.0458 61.9055 72.6958 173.1986 150 V 4.8611 8.8827 125.5320 61.4367 33.9003 174.3691 151 E 5.2482 9.2469 126.7008 54.7049 33.6274 174.7245 152 F 5.2582 8.2832 116.3606 55.8362 41.9748 172.7496 153 C 4.9978 8.7399 113.5336 56.9889 33.4687 172.7748 154 L 5.3508 8.3097 118.8227 53.3697 45.7332 175.9614 155 E 4.3403 9.5812 120.9963 56.6796 29.9174 175.0674 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 I 7.88 4.19 1.94 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 1.32 1.10 1.00 0.00 0.00 7 E 8.90 3.79 0.00 2.19 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 2.40 2.51 0.00 8 I 8.23 3.88 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.03 1.20 0.00 0.00 9 A 8.23 4.41 1.57 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 10 K 8.09 3.91 0.00 1.95 1.89 0.00 1.92 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 1.49 1.53 7.81 11 P 0.00 4.07 0.00 1.35 1.76 0.00 3.56 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 1.81 2.01 0.00 12 F 7.68 4.09 0.00 3.09 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 13 V 8.02 3.92 2.29 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 1.27 0.00 0.00 1.11 0.00 0.00 14 T 8.24 3.87 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 1.20 0.00 0.00 15 A 8.02 3.98 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 16 T 8.10 3.79 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 0.80 0.00 0.00 17 T 8.21 3.93 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 1.49 0.00 0.00 18 N 8.33 4.27 0.00 2.98 2.98 0.00 0.00 6.86 7.30 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 19 V 7.79 3.56 2.13 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 0.88 0.00 0.00 1.01 0.00 0.00 20 L 7.97 4.11 0.00 1.85 1.71 0.78 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.33 4.31 0.00 3.99 3.91 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 22 T 7.73 4.04 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 1.24 0.00 0.00 *24 A 7.78 4.09 1.29 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 25 G 7.80 3.99 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 0.00 0.00 0.00 26 I 7.69 4.50 1.90 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 1.37 1.29 1.03 0.00 0.00 27 Q 8.48 4.63 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 28 P 0.00 4.83 0.00 2.14 2.24 0.00 3.76 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 2.09 2.29 0.00 29 I 9.04 4.48 1.91 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 1.33 1.03 0.92 0.00 0.00 30 P 0.00 4.19 0.00 1.92 1.83 0.00 3.79 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 31 G 8.06 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 32 Q 8.41 4.20 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 33 P 0.00 4.76 0.00 1.98 1.96 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 34 Y 8.44 4.93 0.00 2.87 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 35 V 8.39 4.22 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 0.76 0.00 0.00 0.89 0.00 0.00 36 K 8.88 4.33 0.00 1.59 1.74 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.41 1.35 7.81 37 K 8.96 4.34 0.00 2.00 1.85 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 0.97 7.81 38 N 7.92 4.86 0.00 2.83 2.83 0.00 0.00 6.02 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 39 N 8.48 4.75 0.00 2.83 2.96 0.00 0.00 5.81 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 40 V 7.34 4.83 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 0.70 0.00 0.00 0.94 0.00 0.00 41 A 9.00 4.78 1.29 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 42 K 8.36 4.79 0.00 1.76 1.69 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.31 1.54 7.81 43 G 8.11 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 44 D 9.04 5.13 0.00 2.66 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.80 4.78 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.95 0.00 0.00 46 S 9.40 5.52 0.00 3.86 3.82 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 47 A 9.11 5.33 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 48 V 8.73 5.10 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 0.71 0.00 0.00 1.00 0.00 0.00 49 V 9.03 4.65 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 0.80 0.00 0.00 1.00 0.00 0.00 50 G 8.88 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 51 I 8.70 5.48 1.92 0.00 0.00 0.47 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 0.80 0.91 0.00 0.00 52 T 8.77 5.45 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 1.27 0.00 0.00 53 G 9.54 4.18 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 0.00 54 H 5.69 4.06 0.00 2.68 2.05 0.00 5.90 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 55 K 7.51 4.80 0.00 2.00 1.99 0.00 1.83 0.00 0.00 1.88 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.48 7.81 56 N 8.82 5.07 0.00 2.70 2.77 0.00 0.00 7.15 7.22 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 57 G 8.59 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 0.00 0.00 0.00 58 S 7.99 5.18 0.00 3.94 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 59 I 8.85 5.13 1.93 0.00 0.00 1.00 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 0.75 1.00 0.00 0.00 60 S 9.48 5.43 0.00 3.90 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 61 V 8.88 4.85 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 0.86 0.00 0.00 0.13 0.00 0.00 62 T 8.95 4.96 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 1.27 0.00 0.00 63 F 9.38 5.51 0.00 3.01 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 64 T 8.47 4.44 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 1.33 0.00 0.00 65 K 9.42 3.87 0.00 2.01 1.88 0.00 1.65 0.00 0.00 1.58 0.00 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.47 7.81 66 Q 8.14 3.95 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 67 C 7.93 4.20 0.00 3.40 3.16 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 0.00 68 A 7.97 3.27 1.16 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 0.00 0.00 0.00 69 I 8.02 3.54 1.88 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 1.41 0.67 0.86 0.00 0.00 70 A 7.77 3.85 1.07 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 71 V 7.41 3.38 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 0.61 0.00 0.00 0.71 0.00 0.00 72 V 7.46 3.63 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 0.86 0.00 0.00 0.83 0.00 0.00 73 K 8.35 4.09 0.00 1.74 1.80 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.54 7.81 74 A 7.74 4.18 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 *76 L 7.82 4.14 0.00 1.80 1.71 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.40 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 78 D 8.59 4.35 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.64 4.75 0.00 2.60 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 80 I 7.36 4.09 1.85 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 1.38 0.61 0.94 0.00 0.00 81 Q 8.79 4.35 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 82 D 7.89 4.35 0.00 2.65 2.48 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 83 I 8.42 3.73 1.85 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 1.61 1.03 0.90 0.00 0.00 84 I 7.74 3.68 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 1.40 0.91 0.90 0.00 0.00 85 Q 8.21 3.96 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 86 D 8.54 4.32 0.00 2.72 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 87 T 8.05 3.77 4.36 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 1.16 0.00 0.00 88 K 8.03 3.81 0.00 1.81 2.01 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.50 7.81 89 D 8.26 4.29 0.00 2.70 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.16 3.91 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 91 V 7.98 3.59 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 1.10 0.00 0.00 0.72 0.00 0.00 92 G 8.20 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 0.00 0.00 0.00 93 E 8.02 3.90 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 94 V 7.65 3.72 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 0.90 0.00 0.00 0.91 0.00 0.00 95 T 8.11 4.11 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 1.24 0.00 0.00 96 N 8.15 4.42 0.00 2.93 2.84 0.00 0.00 7.04 8.17 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 *98 I 7.64 4.05 1.89 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 0.73 0.96 0.00 0.00 99 S 8.47 4.16 0.00 3.89 4.04 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 0.00 100 G 8.16 3.58 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 0.00 0.00 0.00 101 Q 7.99 3.98 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 102 A 8.33 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.13 3.78 0.00 1.91 2.04 0.00 3.34 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 104 A 8.16 3.94 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 0.00 105 A 7.66 3.92 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 0.00 106 L 7.88 4.02 0.00 1.78 1.93 0.31 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.11 4.28 0.00 3.95 4.07 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 0.00 108 E 7.84 4.34 0.00 2.14 1.94 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 2.33 2.43 0.00 *110 G 7.83 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 *112 T 7.47 4.18 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 113 F 8.87 5.41 0.00 2.82 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 0.00 114 Q 9.35 4.65 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 115 G 8.51 4.53 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 0.00 0.00 0.00 116 A 8.74 4.71 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 0.00 117 T 8.25 4.32 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 0.00 118 P 0.00 4.85 0.00 1.97 2.04 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 119 S 9.02 4.83 0.00 3.72 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 0.00 120 V 8.42 4.85 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 0.82 0.00 0.00 1.00 0.00 0.00 121 I 8.82 4.35 1.79 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 1.10 0.39 0.61 0.00 0.00 *123 G 8.38 3.89 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 0.00 0.00 0.00 124 D 8.80 4.50 0.00 2.70 2.65 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 0.00 0.00 0.00 0.00 125 G 9.09 3.91 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 0.00 0.00 0.00 126 H 7.84 4.75 0.00 3.22 3.47 0.00 5.21 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 0.00 127 T 8.42 5.22 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 0.00 128 I 8.71 4.66 1.91 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 1.12 1.69 0.98 0.00 0.00 129 S 8.49 4.95 0.00 3.72 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 0.00 130 H 8.91 4.33 0.00 3.12 3.20 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 8.04 4.10 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 0.79 0.00 0.00 0.93 0.00 0.00 132 T 7.72 4.54 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 1.27 0.00 0.00 133 K 7.96 4.22 0.00 1.94 1.84 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.40 7.81 134 S 7.65 4.40 0.00 3.86 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 0.00 135 P 0.00 4.32 0.00 1.95 1.92 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 1.99 2.04 0.00 136 V 8.01 4.16 1.95 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 0.75 0.00 0.00 0.84 0.00 0.00 137 I 7.63 4.47 0.56 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.36 0.70 0.00 0.00 138 A 8.22 4.82 0.29 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 0.00 139 I 8.67 4.59 1.92 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.97 0.38 0.00 0.00 140 P 0.00 4.86 0.00 2.05 2.24 0.00 3.47 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.08 0.00 141 F 8.87 5.11 0.00 1.64 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 0.00 142 K 8.80 5.01 0.00 1.73 1.72 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.34 7.81 143 T 8.22 5.12 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 144 N 9.08 4.51 0.00 2.63 2.78 0.00 0.00 6.68 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 0.00 145 H 8.69 4.81 0.00 3.17 3.28 0.00 5.62 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 0.00 146 G 8.13 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 0.00 147 E 8.52 5.17 0.00 2.01 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 2.38 2.35 0.00 148 F 8.59 5.20 0.00 2.91 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 0.00 149 T 8.95 5.15 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 1.26 0.00 0.00 150 V 8.88 4.86 2.43 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 1.06 0.00 0.00 1.08 0.00 0.00 151 E 9.25 5.25 0.00 1.87 1.59 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 2.05 2.17 0.00 152 F 8.28 5.26 0.00 2.60 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 0.00 153 C 8.74 5.00 0.00 2.90 2.80 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 0.00 154 L 8.31 5.35 0.00 1.63 1.74 1.20 0.98 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 0.00 155 E 9.58 4.34 0.00 1.95 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 2.39 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.