NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.2303 8.1744 110.9424 61.4727 69.7833 172.4841 8 D 4.5266 8.2069 121.3367 50.3896 41.5558 174.6459 9 P 4.3951 0.0000 0.0000 65.6548 32.4946 177.2663 10 R 4.1349 8.2413 116.3804 57.3997 30.4608 176.8898 11 A 4.1928 7.4523 119.7188 51.2360 18.9486 177.1462 12 K 3.9536 8.5232 121.0556 56.3925 32.6902 176.3301 13 W 4.2484 8.8234 134.8739 57.1535 31.0359 175.6578 14 V 4.0518 7.6879 126.2404 60.0019 31.1937 173.1929 15 P 3.8837 0.0000 0.0000 62.2550 32.0759 175.8178 16 Q 4.5995 8.6860 117.1178 54.7088 32.0775 174.2594 17 D 5.5247 8.5557 116.0458 53.5608 41.2783 175.5596 18 N 4.9755 9.7523 112.6699 52.4689 39.9467 174.6847 19 D 4.2550 7.9676 119.5081 53.7198 42.0187 175.1030 20 I 3.1032 7.9081 119.8025 61.7947 37.7588 176.5289 21 Q 4.3494 8.6330 119.7407 55.8493 29.3540 175.1448 22 A 4.7828 7.5469 122.0319 50.5730 20.6796 177.8782 23 C 4.6694 8.8502 118.0817 59.2620 41.8136 174.3576 24 D 4.7669 8.1468 118.7676 53.0063 39.4917 175.2326 25 Y 4.7570 8.1283 122.4669 57.3080 39.5360 176.5154 26 W 4.6671 8.8245 125.0174 59.9225 28.0474 178.0580 27 R 3.4933 5.8400 114.9496 57.4652 29.8666 176.3696 28 H 5.1022 8.3901 115.8777 55.6775 28.9122 174.4232 29 C 2.4719 7.7098 115.6838 57.6696 41.2459 174.5411 30 S 4.6210 7.7521 115.4536 56.8174 62.1335 173.5524 31 I 3.4784 7.5185 118.2458 59.6549 39.6379 173.7507 32 D 4.9012 8.5185 126.5506 51.9376 44.0142 172.9675 33 G 4.2468 8.4310 111.0896 44.6979 0.0000 175.2919 34 N 5.4392 10.7233 122.8321 50.9070 41.9057 173.5846 35 I 4.3161 8.2927 122.8756 60.8844 37.2921 176.1641 36 C 4.0178 8.5926 124.9480 60.2550 38.8744 175.9622 37 D 4.5284 8.0970 116.9531 55.7853 40.7948 176.6476 38 C 4.7007 8.1434 115.3413 60.2856 28.4189 174.0283 39 S 4.6198 8.7179 113.7715 58.5583 63.3377 174.8529 40 G 4.0513 8.6596 108.3906 46.1035 0.0000 174.8569 41 G 4.1093 7.8575 110.0417 44.3789 0.0000 171.7953 42 S 5.1879 8.2254 114.2612 55.0051 66.5865 173.2600 43 L 4.0268 8.5886 121.0604 58.0483 41.5020 178.1236 44 T 4.7756 7.8059 104.1652 60.8361 69.6494 172.8699 45 N 5.0534 7.8272 118.7417 51.7173 42.2259 173.9993 46 C 4.5578 8.3696 118.6761 58.9399 29.3171 172.0422 47 P 4.5669 0.0000 0.0000 61.1615 31.8347 174.3276 48 P 4.2697 0.0000 0.0000 64.5640 31.5559 177.1968 49 G 3.9218 8.8257 110.5389 45.4757 0.0000 173.5141 50 T 4.0899 6.8465 109.2135 60.7298 70.7036 174.1595 51 K 4.5466 8.9403 121.5603 54.4254 35.0314 175.4192 52 L 4.5634 8.4529 126.9360 54.1122 43.0069 176.0555 53 A 4.7190 8.5912 128.9432 52.5847 19.1495 176.9055 54 T 4.3464 8.7091 109.5094 63.5415 70.7051 175.6109 55 A 4.6686 8.0329 123.5705 50.8685 20.5892 178.2032 56 S 3.8693 6.9783 117.3647 58.7682 65.6704 178.9667 *58 V 4.7675 8.6835 114.1458 61.7143 32.6442 172.9332 59 A 4.5425 8.0506 118.6216 51.7464 22.1911 175.7103 60 S 5.0332 8.9382 116.0024 57.6664 63.1265 173.8330 61 C 5.1931 9.3992 126.1609 55.4887 39.4482 172.6602 62 Y 4.8406 8.9960 124.7710 57.3087 40.2151 173.4700 63 N 3.7866 8.4984 126.5018 50.6626 39.1269 173.5525 64 P 3.9528 0.0000 0.0000 65.6530 31.6663 178.3164 65 T 3.8383 7.9285 116.0927 66.2578 68.2501 175.0186 66 D 4.6143 7.5677 116.3387 52.2024 39.8451 176.5424 67 G 3.8446 7.7749 106.8183 46.3235 0.0000 173.6829 68 Q 4.5275 8.1320 119.0977 54.4132 31.6873 174.5325 69 S 5.3015 8.1404 115.8431 57.1387 65.9662 173.0418 70 Y 5.1241 9.3883 121.6335 56.0082 41.8946 174.4343 71 L 4.8914 9.2972 124.9666 54.5038 43.6484 175.2764 72 I 4.5425 8.8319 127.9353 59.7690 39.2374 174.8668 73 A 4.4139 8.0565 129.5800 50.3977 19.0800 176.6927 74 Y 4.7550 7.9428 120.1114 58.2202 35.7309 175.4592 75 R 4.3754 8.0206 121.4878 55.9035 32.3389 175.4012 76 D 5.3593 8.6590 122.3271 53.5012 43.5643 175.1002 77 C 4.9727 8.9780 119.6528 58.7087 30.2221 172.9119 78 C 5.5717 8.9667 121.2721 57.0459 32.3060 174.9991 79 G 4.1302 9.1833 106.6074 45.7860 0.0000 172.8822 80 Y 4.8814 7.2946 114.9645 55.6205 41.8895 174.6782 81 N 4.5305 8.5238 120.2027 52.8314 39.8123 174.8383 82 V 3.5806 8.4381 122.0671 63.3203 31.9172 176.1424 83 S 4.1177 8.3661 122.3362 59.9867 62.7155 175.9631 84 G 3.9505 8.2812 106.1713 45.2181 0.0000 172.8298 85 R 4.5186 7.8501 118.4846 55.6077 32.7851 175.9105 86 C 4.0799 8.5006 118.2459 60.2745 25.2024 170.3135 87 P 5.2075 0.0000 0.0000 62.7156 32.9487 177.7707 88 C 5.0055 9.4214 118.4318 55.8829 45.4265 173.4611 89 L 4.8157 8.4110 123.6688 54.3848 43.3694 174.3739 90 N 5.1470 9.1353 124.1976 51.0267 42.7760 174.8231 91 T 4.4456 7.6822 109.2645 60.9881 69.6962 173.4082 92 E 3.9026 8.0824 123.0846 58.9980 29.3426 177.6060 93 G 3.7305 8.7915 111.7205 45.4357 0.0000 172.0118 94 E 4.3126 8.1107 121.7040 56.0618 30.1329 176.2834 95 L 4.7362 8.3920 126.4398 52.1588 44.9124 174.3522 96 P 4.5669 0.0000 0.0000 62.4401 32.0677 177.9435 97 V 3.5831 8.5600 120.6704 64.7861 31.1171 176.6800 98 Y 4.4920 7.7974 116.2374 57.7538 38.7613 175.4855 99 R 4.7265 7.8261 119.5134 54.3192 31.0522 174.3361 100 P 4.3651 0.0000 0.0000 66.0517 31.6075 178.6104 101 E 3.7391 8.1637 115.3244 58.2149 29.2124 177.4172 102 F 4.9508 8.4698 116.0503 56.7593 40.5214 173.6075 103 A 5.1258 8.8160 124.9949 50.5179 19.4361 177.5356 104 N 5.0753 9.2725 120.4857 52.8523 37.5324 175.4366 105 D 4.7008 7.9445 118.1795 55.3604 41.8183 177.0320 106 I 3.5665 7.1615 119.9908 60.7496 37.5564 176.2748 107 I 3.8716 7.5190 125.2894 60.2258 36.1468 176.3802 108 W 4.8540 8.5066 128.9864 55.9964 27.2498 177.0169 109 C 4.8073 7.2198 114.9481 58.8660 29.7795 174.3734 110 F 4.4548 7.5470 119.9857 59.2390 38.8924 176.3273 111 G 4.5140 9.4037 112.2845 46.4393 0.0000 173.6900 112 A 4.9304 7.6363 122.4217 51.2689 19.1210 177.0736 113 E 3.9774 8.5598 119.8345 57.8020 30.1028 177.2950 114 D 4.4673 9.1758 119.5569 54.9143 38.3711 173.5227 115 D 4.4042 7.9497 114.7131 54.8509 39.0085 173.8127 116 A 4.0432 7.5908 121.7656 53.3677 18.5079 178.3349 117 M 4.6624 8.5633 120.1555 54.7640 34.1538 175.2759 118 T 4.4989 7.5928 110.3161 60.6931 71.0754 173.2188 119 Y 4.5058 8.5872 125.9523 58.0281 39.4842 172.9386 120 H 4.6677 7.7711 124.6575 56.9488 32.5871 170.7236 121 C 4.7615 6.6842 109.6260 55.0696 41.3234 171.8947 122 T 5.4195 9.1041 115.6602 61.8281 71.5236 173.9675 123 I 4.3358 8.4897 118.6084 59.2618 40.4651 175.0372 124 S 4.9471 8.2167 117.0621 56.5441 61.8511 172.4862 125 P 4.4887 0.0000 0.0000 62.4357 33.5654 176.8987 126 I 4.6081 8.0982 122.4086 60.6036 38.1115 175.9466 127 V 4.3306 9.9556 118.8434 60.2062 32.9926 175.7409 128 G 4.2189 7.6263 110.6628 44.8455 0.0000 171.5652 129 K 4.6054 7.9686 118.7166 55.8183 33.3183 176.9430 130 A 4.9948 8.4797 124.8105 50.7108 22.2009 176.6030 131 S 4.3960 8.6168 110.6350 58.9796 62.8328 174.7705 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 7 T 8.17 4.23 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 8 D 8.21 4.53 0.00 2.83 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.40 0.00 2.24 2.20 0.00 3.83 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 10 R 8.24 4.13 0.00 1.98 2.04 0.00 3.18 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 11 A 7.45 4.19 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 12 K 8.52 3.95 0.00 1.77 1.79 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.52 7.81 13 W 8.82 4.25 0.00 3.34 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 14 V 7.69 4.05 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 0.83 0.00 0.00 0.95 0.00 0.00 15 P 0.00 3.88 0.00 2.25 1.86 0.00 3.70 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 2.04 2.23 0.00 16 Q 8.69 4.60 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 17 D 8.56 5.52 0.00 2.56 2.62 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 18 N 9.75 4.98 0.00 2.77 2.87 0.00 0.00 6.53 8.50 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 19 D 7.97 4.25 0.00 2.66 2.57 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 20 I 7.91 3.10 1.35 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.55 -0.01 0.00 0.00 21 Q 8.63 4.35 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 22 A 7.55 4.78 1.43 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 0.00 0.00 0.00 23 C 8.85 4.67 0.00 3.14 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 24 D 8.15 4.77 0.00 2.65 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 25 Y 8.13 4.76 0.00 3.35 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 26 W 8.82 4.67 0.00 3.76 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 5.84 3.49 0.00 1.39 1.28 0.00 2.21 0.00 0.00 2.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 28 H 8.39 5.10 0.00 3.60 3.40 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 7.71 2.47 0.00 2.22 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 30 S 7.75 4.62 0.00 3.76 3.75 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 31 I 7.52 3.48 1.84 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.48 0.87 0.00 0.00 32 D 8.52 4.90 0.00 2.66 2.36 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 33 G 8.43 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 0.00 0.00 0.00 0.00 34 N 10.72 5.44 0.00 2.66 2.86 0.00 0.00 7.41 7.43 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 35 I 8.29 4.32 1.87 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 1.15 0.81 0.97 0.00 0.00 36 C 8.59 4.02 0.00 2.95 3.15 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 0.00 37 D 8.10 4.53 0.00 2.72 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 38 C 8.14 4.70 0.00 3.07 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 39 S 8.72 4.62 0.00 3.95 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.66 4.05 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 0.00 0.00 0.00 41 G 7.86 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 42 S 8.23 5.19 0.00 3.88 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 43 L 8.59 4.03 0.00 1.64 1.70 0.93 0.63 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 44 T 7.81 4.78 4.21 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 1.17 0.00 0.00 45 N 7.83 5.05 0.00 2.69 2.66 0.00 0.00 7.04 9.01 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 46 C 8.37 4.56 0.00 2.90 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 47 P 0.00 4.57 0.00 2.04 2.03 0.00 3.50 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 48 P 0.00 4.27 0.00 2.01 1.99 0.00 3.67 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 2.02 2.08 0.00 49 G 8.83 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 50 T 6.85 4.09 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 0.37 0.00 0.00 51 K 8.94 4.55 0.00 1.61 1.85 0.00 1.64 0.00 0.00 1.52 0.00 0.00 2.76 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.67 7.81 52 L 8.45 4.56 0.00 1.73 1.52 0.92 1.29 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 53 A 8.59 4.72 1.41 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 0.00 0.00 0.00 54 T 8.71 4.35 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 55 A 8.03 4.67 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 56 S 6.98 3.87 0.00 3.99 3.15 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 0.00 *58 V 8.68 4.77 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 0.43 0.00 0.00 1.00 0.00 0.00 59 A 8.05 4.54 1.42 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 0.00 0.00 60 S 8.94 5.03 0.00 3.95 3.84 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 61 C 9.40 5.19 0.00 3.25 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.00 4.84 0.00 3.16 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 63 N 8.50 3.79 0.00 1.44 2.29 0.00 0.00 6.61 7.60 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 64 P 0.00 3.95 0.00 2.12 2.17 0.00 3.16 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.03 0.00 65 T 7.93 3.84 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 66 D 7.57 4.61 0.00 2.68 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 67 G 7.77 3.84 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 0.00 0.00 0.00 68 Q 8.13 4.53 0.00 1.85 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.70 0.00 0.00 0.00 0.00 0.00 2.50 2.37 0.00 69 S 8.14 5.30 0.00 3.74 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 70 Y 9.39 5.12 0.00 3.21 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 71 L 9.30 4.89 0.00 1.79 1.59 1.07 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.83 4.54 1.37 0.00 0.00 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 1.11 0.75 0.03 0.00 0.00 73 A 8.06 4.41 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 74 Y 7.94 4.75 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.02 4.38 0.00 1.79 1.88 0.00 3.33 0.00 0.00 3.50 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 76 D 8.66 5.36 0.00 2.93 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 77 C 8.98 4.97 0.00 2.73 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 78 C 8.97 5.57 0.00 2.77 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 79 G 9.18 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.29 4.88 0.00 2.55 2.70 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 81 N 8.52 4.53 0.00 2.63 2.69 0.00 0.00 6.91 7.71 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 82 V 8.44 3.58 2.14 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 1.08 0.00 0.00 1.01 0.00 0.00 83 S 8.37 4.12 0.00 3.95 3.76 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 84 G 8.28 3.95 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 0.00 85 R 7.85 4.52 0.00 1.79 1.84 0.00 3.49 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 86 C 8.50 4.08 0.00 3.12 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 87 P 0.00 5.21 0.00 2.09 2.06 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 88 C 9.42 5.01 0.00 2.79 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 89 L 8.41 4.82 0.00 1.53 1.51 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 90 N 9.14 5.15 0.00 2.38 2.12 0.00 0.00 6.23 7.85 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 91 T 7.68 4.45 4.17 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 1.18 0.00 0.00 92 E 8.08 3.90 0.00 1.85 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 1.92 2.09 0.00 93 G 8.79 3.73 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 0.00 0.00 0.00 94 E 8.11 4.31 0.00 1.93 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 2.56 2.58 0.00 95 L 8.39 4.74 0.00 1.72 1.42 0.82 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.57 0.00 1.46 2.03 0.00 3.29 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 97 V 8.56 3.58 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 0.82 0.00 0.00 0.94 0.00 0.00 98 Y 7.80 4.49 0.00 3.09 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 99 R 7.83 4.73 0.00 1.74 1.92 0.00 3.41 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.54 0.00 100 P 0.00 4.37 0.00 2.45 2.50 0.00 3.83 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 101 E 8.16 3.74 0.00 1.47 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 1.47 1.47 0.00 102 F 8.47 4.95 0.00 3.07 2.96 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 0.00 103 A 8.82 5.13 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.27 5.08 0.00 2.76 2.88 0.00 0.00 6.99 8.88 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 0.00 105 D 7.94 4.70 0.00 2.61 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 0.00 106 I 7.16 3.57 0.86 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.28 -0.40 0.00 0.00 107 I 7.52 3.87 1.62 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 1.23 0.64 0.90 0.00 0.00 108 W 8.51 4.85 0.00 3.64 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 0.00 109 C 7.22 4.81 0.00 2.70 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 0.00 110 F 7.55 4.45 0.00 3.30 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 9.40 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.64 4.93 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 0.00 113 E 8.56 3.98 0.00 2.08 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 2.40 2.40 0.00 114 D 9.18 4.47 0.00 2.84 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 0.00 115 D 7.95 4.40 0.00 2.86 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 0.00 116 A 7.59 4.04 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 0.00 117 M 8.56 4.66 0.00 1.88 2.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 118 T 7.59 4.50 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 1.23 0.00 0.00 119 Y 8.59 4.51 0.00 2.97 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 0.00 120 H 7.77 4.67 0.00 3.27 3.23 0.00 5.87 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 C 6.68 4.76 0.00 3.14 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 0.00 122 T 9.10 5.42 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 1.57 0.00 0.00 123 I 8.49 4.34 1.99 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 1.49 0.90 0.92 0.00 0.00 124 S 8.22 4.95 0.00 3.74 3.87 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 0.00 125 P 0.00 4.49 0.00 2.05 2.11 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 126 I 8.10 4.61 1.84 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 1.26 0.40 1.07 0.00 0.00 127 V 9.96 4.33 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 0.61 0.00 0.00 1.00 0.00 0.00 128 G 7.63 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 0.00 129 K 7.97 4.61 0.00 1.60 1.62 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.85 1.27 7.81 130 A 8.48 4.99 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.62 4.40 0.00 3.76 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 * Residues marked with a * may have inaccurate shift predictions.