NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 R 4.3515 8.1133 117.2804 56.1299 31.7795 177.5708 10 L 3.8102 7.8055 118.5575 56.8414 41.5015 177.6622 11 A 3.9162 8.7627 121.7075 55.3075 18.7356 179.3258 12 S 4.1380 7.9631 113.1736 61.6612 63.0148 176.8196 13 S 4.0695 8.1610 116.0145 61.3304 62.0247 176.5617 14 V 3.6297 8.2293 121.2634 65.0155 31.2461 178.1069 15 L 4.0407 8.3340 118.7494 54.7735 42.3331 177.0358 16 R 3.8717 7.7540 116.1750 57.4433 27.5199 174.0263 17 C 4.8851 8.4020 114.0756 57.7131 33.1056 174.7193 18 G 3.8824 8.2952 108.7279 45.1714 0.0000 175.0218 19 K 4.5456 8.5546 119.5556 58.7465 32.3735 179.8268 20 K 4.0363 8.0653 117.0520 59.3495 32.3189 178.4417 21 K 4.1765 8.1028 118.4488 59.1738 32.2420 177.7389 22 V 4.2708 7.4812 111.6041 61.0639 32.3970 175.7870 23 W 4.8278 9.7032 134.4624 55.5423 33.2938 174.0208 24 L 4.7311 7.6628 126.2464 52.2472 43.8581 175.7986 25 D 3.3700 7.7468 123.7904 53.5070 41.5011 175.6104 26 P 4.1213 0.0000 0.0000 65.5261 31.4693 178.0380 27 N 4.4492 8.2647 115.3704 56.4029 39.1711 176.2806 28 E 4.1408 7.8318 119.0143 57.5229 29.5004 178.5780 29 T 3.8084 7.9138 111.1512 65.0936 68.1700 175.5695 30 N 4.3007 7.9842 118.0809 55.5595 37.6061 176.3278 31 E 4.0275 8.0432 121.2767 58.9838 29.8960 178.4765 32 I 3.6753 7.9799 118.5293 63.8717 37.7536 177.5982 33 A 3.9931 8.1133 121.5284 55.2814 18.2308 179.0477 34 N 4.6045 7.7573 113.5574 55.1001 38.6908 174.7007 35 A 3.9322 7.3867 123.2605 52.7371 18.4042 176.5021 36 N 4.4597 9.0104 121.3591 56.1964 39.8136 175.1827 37 S 4.8718 8.2425 112.2312 55.7628 67.1753 174.8363 38 R 3.9530 8.3596 117.5857 59.5706 29.0309 178.7011 39 Q 3.9778 7.6906 118.3060 58.9468 28.7559 178.8327 40 Q 4.0456 7.9281 118.5406 58.9116 28.6911 178.7594 41 I 3.7438 7.6132 120.5933 64.4211 37.1555 178.6521 42 R 3.9263 8.3054 119.2607 58.9640 29.8373 178.9798 43 K 3.9214 8.1413 119.4391 59.6517 32.3655 178.8930 44 L 4.2220 7.8399 119.3248 57.6344 41.4886 179.5697 45 I 4.0496 7.9709 114.9420 63.5426 37.2943 178.4872 46 K 4.0012 8.0245 119.3743 59.2988 31.9346 178.7403 47 D 4.5354 7.8664 118.4578 55.7330 40.8051 177.6614 48 G 4.1462 8.0271 105.9663 44.7772 0.0000 174.2197 49 L 4.2787 8.1734 120.2984 56.9975 42.6016 177.2343 50 I 5.1609 7.8435 119.0811 59.5123 40.1717 174.8760 51 I 4.6998 9.1498 125.6996 59.4540 42.3549 173.2448 52 R 4.7608 8.4596 125.7132 54.7676 30.9644 175.7025 53 K 4.3102 8.8103 128.4411 55.4491 33.0594 174.9458 54 P 4.5004 0.0000 0.0000 62.2149 32.2060 175.7169 55 V 4.3300 8.0916 120.0418 61.2995 33.1294 174.9745 56 T 4.6076 8.3683 120.6472 60.4777 69.7346 173.2130 57 V 4.2840 8.2120 125.3332 62.7285 32.7740 174.7865 *59 S 4.2603 7.8984 113.1501 58.5532 63.7820 174.8370 60 R 4.1160 8.4523 122.9321 58.2233 30.0232 178.6880 61 A 3.9700 8.0178 120.9109 55.3450 17.8639 179.3929 62 R 3.8385 7.9371 116.4840 59.6301 30.1300 178.1251 63 C 4.1138 7.9917 118.0357 62.5957 31.5808 175.6049 64 R 3.9127 8.2536 119.9761 59.1043 29.6256 179.1461 65 K 3.9274 8.1384 118.4185 59.4129 32.0179 178.8136 66 N 4.1949 7.7517 116.7811 56.9786 38.8792 176.8762 67 T 3.8791 8.0791 114.6273 64.9161 67.2879 176.1979 68 L 3.9605 8.1343 121.0981 57.7215 41.7104 179.2843 69 A 4.0187 7.9151 120.5517 55.2793 18.2457 179.9354 70 R 4.5638 8.3037 118.1872 58.9371 29.9311 179.4988 71 R 3.9126 7.9642 114.9622 59.1708 29.4363 178.5544 72 K 4.0998 8.0546 119.9264 58.1628 32.2419 177.3474 73 G 4.0770 7.9620 105.2319 45.2550 0.0000 173.8713 74 R 4.2557 8.6786 119.9075 56.0549 31.1701 175.5406 75 H 4.3536 8.4987 112.7255 57.3321 26.2020 176.9596 76 M 4.1564 8.2773 120.2560 57.1757 33.3131 177.7069 77 G 3.7327 8.4569 108.6062 45.2471 0.0000 174.7856 *84 T 4.0828 8.5556 112.8055 61.1706 70.6173 172.3872 85 A 4.0100 8.2584 124.6679 55.2665 18.2129 179.6343 86 N 4.3285 8.1215 113.5605 55.9988 37.4623 176.7667 87 A 4.1111 7.5204 122.5537 54.8725 18.4956 179.1641 88 R 4.0345 7.7017 116.4980 59.4737 30.3103 175.8834 89 M 4.6647 8.3348 118.8320 53.5926 40.9342 173.7009 90 P 4.3994 0.0000 0.0000 66.9624 31.9172 177.5062 91 E 3.9726 8.3444 117.2762 59.5584 29.3297 179.3406 92 K 4.1126 7.8547 117.3693 59.6553 32.4271 179.8795 93 V 3.6828 7.8236 112.2816 64.6670 31.5335 178.3574 94 T 3.8356 8.5520 113.1097 64.9071 67.2087 176.0003 95 W 4.1721 8.1712 129.8329 60.7703 30.7050 177.8260 96 M 4.0418 8.8455 118.9972 58.3304 31.3958 178.7489 97 R 3.8425 8.2122 119.2021 59.2437 30.2256 178.7757 98 R 3.7429 7.8389 115.8876 59.5901 29.4979 178.4953 99 M 3.4907 7.6988 119.8132 57.8007 31.9660 178.1314 100 R 3.8876 7.9780 119.0005 59.3605 30.2368 178.5652 101 I 3.6735 7.5648 119.6420 64.4589 37.1109 178.4646 102 L 4.0041 8.0275 119.8998 57.6941 41.2759 179.8693 103 R 4.1343 8.0243 118.1840 59.2660 30.0766 179.0211 104 R 3.9205 8.3066 118.7503 59.3612 30.1262 178.5350 105 L 4.1402 8.0129 118.7929 57.9655 41.7408 179.5195 106 L 4.2095 8.1263 118.8917 57.9639 41.6744 179.8557 107 R 3.8160 8.4105 118.3152 59.1822 29.9681 179.3516 108 R 3.9165 8.1459 117.8945 59.5410 30.1015 178.7548 109 Y 3.7424 8.3466 116.4855 60.8025 37.7445 178.5763 110 R 4.0487 7.9721 119.2423 59.5130 29.9967 178.2380 111 E 3.8630 7.7743 117.5733 59.1840 29.7613 178.1682 112 S 4.1298 7.7423 110.8053 58.5879 62.4545 174.4244 113 K 4.0443 8.0008 120.7381 57.3517 31.3350 176.5851 114 K 4.2034 8.1439 118.0287 58.8388 32.1745 177.4063 115 I 4.6003 7.4684 117.9791 59.0246 39.8431 175.4754 116 D 4.5948 8.4716 123.0591 53.9497 43.2012 177.2025 117 R 4.0614 8.6070 123.9893 59.7665 30.1629 178.4417 118 H 4.1047 8.2381 117.6378 59.6166 29.9791 177.0756 119 M 4.1689 8.0525 120.0619 58.4446 31.8152 177.9504 120 Y 4.0634 8.7995 120.1489 60.8913 39.0173 177.5679 121 H 3.9803 8.6365 119.5737 59.1878 30.0632 177.3478 122 S 4.1220 7.9865 115.8584 61.5599 62.7062 176.5172 123 L 3.8941 7.9754 122.8641 57.3749 41.3008 178.8342 124 Y 3.7391 7.8607 119.8829 60.5894 38.7007 178.1111 125 L 3.8742 7.8412 119.8557 57.6191 41.5371 179.7015 126 K 3.9125 7.7422 118.2907 59.3151 31.9086 179.5189 127 V 3.4318 7.7670 118.7574 65.9315 31.2277 178.0104 128 K 3.8579 7.5623 118.0148 59.3408 31.9924 178.6581 129 G 3.7725 7.6822 106.4402 44.0981 0.0000 170.5100 130 N 4.7753 8.2495 125.3828 53.6342 40.4683 172.8452 *148 D 4.5387 8.1003 124.3101 54.1189 43.5401 176.8212 149 K 3.7809 7.8174 118.7399 59.7440 32.6769 178.5765 150 A 3.9353 7.9643 119.7278 55.7843 18.3308 178.7629 151 R 3.7595 8.0591 115.7962 59.6691 30.0071 178.1703 152 K 3.7897 7.9656 117.1166 59.5958 32.4287 178.5370 153 K 3.7179 7.8228 119.3346 59.7843 31.9620 178.0865 154 L 3.8333 8.0687 119.9676 58.1289 42.0765 178.6000 155 L 3.9204 7.9344 118.5576 57.9674 41.6233 179.3510 156 A 3.9714 8.0259 120.1466 55.5856 18.3153 179.4339 157 D 4.2738 8.0065 117.0033 57.3354 40.8348 178.7359 158 Q 3.9230 8.4855 120.2457 59.2420 28.8591 178.3238 159 A 3.9659 8.1068 121.6209 55.1547 18.5752 179.0543 160 E 3.8646 8.3531 117.5961 59.3501 29.4569 178.6375 161 A 4.0119 8.1758 119.9667 55.2647 18.7392 179.3987 162 R 4.0244 8.0712 114.3201 60.1219 29.5222 177.9082 163 R 4.1472 8.0191 120.9653 57.2918 30.7416 175.8787 164 S 4.6951 7.8961 111.1148 59.3203 63.8555 175.9343 165 K 4.1607 8.9087 122.0345 57.2547 32.2721 176.0074 166 T 4.3785 7.9891 113.0568 63.5295 70.0180 175.7964 167 K 3.9154 6.3568 127.4734 60.5622 32.8830 177.7321 168 E 3.9239 8.6786 118.2472 59.5577 29.5055 179.1888 169 A 3.9854 8.2439 120.0118 55.4652 18.2340 179.3714 170 R 3.8304 8.6571 116.7775 59.5969 30.1310 178.9617 171 K 3.8486 8.3321 118.1585 59.8654 32.1483 179.3550 172 R 3.9195 8.4338 118.0921 59.9715 30.0536 178.6550 173 R 3.8567 8.5707 117.6206 59.3265 29.9143 178.4289 174 E 3.9280 8.7007 117.7872 59.8141 29.8240 179.1687 175 E 3.9112 8.4240 119.2063 59.6718 29.5606 179.1855 176 R 3.9206 7.9767 117.6063 59.1602 30.1230 178.8578 177 L 3.9451 7.9662 118.6988 57.9336 41.4640 179.1423 178 Q 3.9312 8.1273 117.8509 59.5151 29.0528 178.2111 179 A 4.4566 8.1840 121.5765 54.3852 18.5252 179.1443 180 K 4.2022 8.3524 116.9009 57.9777 33.4793 177.8425 181 K 4.3319 8.0258 119.8256 55.7060 28.5858 176.6818 182 E 5.6346 7.5977 132.7086 57.8756 30.5331 179.5925 183 E 3.8901 8.1536 119.2879 60.3463 29.8455 178.3407 184 I 3.5763 8.1028 118.0174 65.2505 37.0006 177.6393 185 I 3.7011 7.7248 112.9551 64.5491 37.3619 178.4763 186 K 3.9527 8.1407 119.4461 59.3061 32.1558 179.0333 187 T 4.0076 7.5491 114.9453 66.8773 68.2298 176.2632 188 L 3.9769 7.6618 119.1383 58.1983 41.6902 179.8748 189 S 4.2360 7.7951 113.7675 61.6144 63.0092 176.4220 190 K 4.0085 8.4983 120.3766 59.4986 31.9071 176.0172 191 E 4.0926 7.8904 121.2631 55.4646 29.3327 176.7104 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 9 R 8.11 4.35 0.00 2.05 2.25 0.00 2.98 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 10 L 7.81 3.81 0.00 1.83 1.76 0.92 0.60 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 11 A 8.76 3.92 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 12 S 7.96 4.14 0.00 4.05 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 0.00 13 S 8.16 4.07 0.00 3.90 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 14 V 8.23 3.63 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 0.91 0.00 0.00 0.94 0.00 0.00 15 L 8.33 4.04 0.00 1.73 1.80 0.97 0.98 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 16 R 7.75 3.87 0.00 2.01 2.00 0.00 3.11 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 17 C 8.40 4.89 0.00 2.89 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 18 G 8.30 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 0.00 0.00 0.00 19 K 8.55 4.55 0.00 1.84 1.88 0.00 1.96 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.43 7.81 20 K 8.07 4.04 0.00 1.76 1.90 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.42 7.81 21 K 8.10 4.18 0.00 2.08 1.89 0.00 1.57 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.47 7.81 22 V 7.48 4.27 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 0.68 0.00 0.00 1.05 0.00 0.00 23 W 9.70 4.83 0.00 3.31 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 24 L 7.66 4.73 0.00 1.22 1.26 0.85 0.98 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 25 D 7.75 3.37 0.00 2.51 2.35 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 26 P 0.00 4.12 0.00 2.02 2.03 0.00 3.62 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 27 N 8.26 4.45 0.00 2.71 2.83 0.00 0.00 7.26 6.94 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 28 E 7.83 4.14 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 29 T 7.91 3.81 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 30 N 7.98 4.30 0.00 2.88 2.98 0.00 0.00 5.95 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.04 4.03 0.00 2.08 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 0.00 2.37 2.41 0.00 32 I 7.98 3.68 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.15 0.91 0.00 0.00 33 A 8.11 3.99 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 34 N 7.76 4.60 0.00 2.87 2.89 0.00 0.00 6.99 8.55 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 35 A 7.39 3.93 1.28 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 36 N 9.01 4.46 0.00 2.69 2.99 0.00 0.00 7.02 7.63 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 37 S 8.24 4.87 0.00 4.03 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 38 R 8.36 3.95 0.00 2.06 2.23 0.00 2.97 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 39 Q 7.69 3.98 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 40 Q 7.93 4.05 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 41 I 7.61 3.74 2.01 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 1.52 0.89 0.92 0.00 0.00 42 R 8.31 3.93 0.00 1.98 1.99 0.00 3.14 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 43 K 8.14 3.92 0.00 1.84 2.02 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 44 L 7.84 4.22 0.00 1.92 1.71 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.97 4.05 1.91 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 1.64 1.53 0.97 0.00 0.00 46 K 8.02 4.00 0.00 1.93 1.93 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.54 7.81 47 D 7.87 4.54 0.00 2.92 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 48 G 8.03 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 0.00 0.00 0.00 0.00 49 L 8.17 4.28 0.00 1.86 1.70 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.84 5.16 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.26 1.02 0.00 0.00 51 I 9.15 4.70 2.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.51 0.97 0.00 0.00 52 R 8.46 4.76 0.00 1.89 1.83 0.00 3.29 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 53 K 8.81 4.31 0.00 2.04 1.70 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.18 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.46 7.81 54 P 0.00 4.50 0.00 2.06 1.94 0.00 3.66 0.00 0.00 3.73 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 55 V 8.09 4.33 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 0.79 0.00 0.00 0.94 0.00 0.00 56 T 8.37 4.61 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 1.21 0.00 0.00 57 V 8.21 4.28 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 0.90 0.00 0.00 0.93 0.00 0.00 *59 S 7.90 4.26 0.00 3.92 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 60 R 8.45 4.12 0.00 1.82 1.97 0.00 3.30 0.00 0.00 3.34 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 61 A 8.02 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.94 3.84 0.00 1.88 1.93 0.00 3.18 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 63 C 7.99 4.11 0.00 3.02 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 64 R 8.25 3.91 0.00 2.02 1.96 0.00 3.18 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 65 K 8.14 3.93 0.00 1.97 1.84 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.44 7.81 66 N 7.75 4.19 0.00 2.80 2.94 0.00 0.00 6.86 6.88 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 67 T 8.08 3.88 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 1.23 0.00 0.00 68 L 8.13 3.96 0.00 1.86 1.70 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.92 4.02 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.30 4.56 0.00 1.86 2.00 0.00 3.52 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 N 8.12 4.33 0.00 2.87 2.97 0.00 0.00 5.97 7.26 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 87 A 7.52 4.11 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 88 R 7.70 4.03 0.00 1.84 2.11 0.00 3.31 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 89 M 8.33 4.66 0.00 2.03 1.78 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 90 P 0.00 4.40 0.00 2.32 2.35 0.00 3.93 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 2.10 2.11 0.00 91 E 8.34 3.97 0.00 2.04 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 2.41 2.42 0.00 92 K 7.85 4.11 0.00 1.84 1.92 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.54 7.81 93 V 7.82 3.68 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.85 1.90 0.00 2.79 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 111 E 7.77 3.86 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 112 S 7.74 4.13 0.00 3.82 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 0.00 113 K 8.00 4.04 0.00 1.91 1.91 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.40 7.81 114 K 8.14 4.20 0.00 2.05 2.10 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.50 1.52 7.81 115 I 7.47 4.60 2.04 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.80 1.07 0.00 0.00 116 D 8.47 4.59 0.00 2.84 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.61 4.06 0.00 1.95 1.97 0.00 3.25 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 118 H 8.24 4.10 0.00 3.34 3.33 0.00 5.92 0.00 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0.00 2.04 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 0.00 2.31 2.34 0.00 161 A 8.18 4.01 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 0.00 162 R 8.07 4.02 0.00 2.10 2.21 0.00 2.82 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.89 0.00 163 R 8.02 4.15 0.00 1.86 1.77 0.00 3.10 0.00 0.00 3.25 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 164 S 7.90 4.70 0.00 4.07 3.79 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 0.00 165 K 8.91 4.16 0.00 2.06 2.08 0.00 1.53 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.46 7.81 166 T 7.99 4.38 4.57 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 1.22 0.00 0.00 167 K 6.36 3.92 0.00 1.89 1.89 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.59 7.81 168 E 8.68 3.92 0.00 2.12 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 2.34 2.38 0.00 169 A 8.24 3.99 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 0.00 170 R 8.66 3.83 0.00 1.95 2.01 0.00 3.32 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.84 0.00 171 K 8.33 3.85 0.00 1.94 1.88 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.72 7.81 172 R 8.43 3.92 0.00 1.94 1.98 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 173 R 8.57 3.86 0.00 1.92 1.92 0.00 3.32 0.00 0.00 3.17 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.82 0.00 174 E 8.70 3.93 0.00 2.13 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 2.34 2.51 0.00 175 E 8.42 3.91 0.00 2.15 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 0.00 2.31 2.38 0.00 176 R 7.98 3.92 0.00 2.07 1.96 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 177 L 7.97 3.95 0.00 1.82 1.73 0.92 0.73 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 0.00 178 Q 8.13 3.93 0.00 2.07 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 179 A 8.18 4.46 1.37 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 0.00 0.00 0.00 180 K 8.35 4.20 0.00 1.93 1.86 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.43 7.81 181 K 8.03 4.33 0.00 1.91 1.87 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.72 1.48 7.81 182 E 7.60 5.63 0.00 2.28 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 2.16 2.16 0.00 183 E 8.15 3.89 0.00 1.98 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 2.31 2.50 0.00 184 I 8.10 3.58 1.87 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 1.69 0.91 0.91 0.00 0.00 185 I 7.72 3.70 1.87 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 1.74 0.61 0.91 0.00 0.00 186 K 8.14 3.95 0.00 1.81 1.92 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.60 7.81 187 T 7.55 4.01 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 188 L 7.66 3.98 0.00 1.78 1.76 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 189 S 7.80 4.24 0.00 3.87 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 0.00 190 K 8.50 4.01 0.00 1.74 1.85 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.51 7.81 191 E 7.89 4.09 0.00 2.15 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.