NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6820 8.1633 118.8126 53.7803 34.0846 176.8852 2 E 4.1042 8.2006 120.0580 58.5876 29.3670 177.9718 3 F 4.2109 7.7834 114.4434 59.8974 37.9090 177.3208 4 Q 3.6730 8.2150 120.2729 59.5164 28.3307 178.8748 5 R 3.8579 7.6111 122.3372 61.2816 29.5357 181.2800 6 V 3.8351 7.7012 119.3550 65.0935 31.2437 178.0393 7 H 4.4265 8.2493 116.7035 58.6115 28.6486 177.4789 8 Q 3.8980 8.2427 120.2265 59.1158 28.3495 178.9290 9 Q 3.9864 8.0114 119.3323 59.3272 29.5168 178.3083 10 L 4.2500 7.8482 120.0944 58.7340 40.5686 179.1055 11 L 3.7210 7.8766 119.8617 57.2810 41.2657 179.0440 12 Q 4.1434 8.2485 119.5819 58.5940 28.7084 178.1964 13 S 4.3175 7.5661 114.0959 60.4023 63.7164 174.3271 14 H 4.5043 7.9379 123.3165 55.4848 30.2280 175.5578 15 H 4.2345 8.7759 122.2687 58.4824 28.2347 176.3948 16 L 4.0604 7.8613 118.5740 56.2481 41.7348 177.2482 17 F 4.8830 8.1735 115.3704 57.0829 41.2209 176.8327 18 E 4.1936 8.5810 120.4660 58.2347 29.2422 176.2887 19 P 4.4661 0.0000 0.0000 63.8705 31.6854 176.8634 20 L 4.4697 7.4403 119.4279 54.2537 42.3339 177.7950 21 S 4.3853 8.5405 117.4550 57.4336 65.1400 173.5715 22 P 4.1931 0.0000 0.0000 66.0545 31.1289 178.9578 23 V 3.5392 7.7005 116.0405 66.2711 31.5888 177.9523 24 Q 4.1095 7.9562 117.5488 58.7635 28.4150 178.6574 25 L 3.9252 8.0579 121.3997 58.1018 42.1278 178.5742 26 Q 3.8762 8.0071 119.5494 59.4325 28.4091 178.2414 27 E 3.9207 8.1077 119.9101 58.9363 29.3884 178.5893 28 L 4.0344 7.7064 119.6677 58.2343 42.5694 178.3849 29 L 3.9897 8.1434 118.9267 57.9784 41.3231 179.4463 30 A 4.0481 8.0445 119.5509 54.6918 18.3957 178.6422 31 S 4.4986 7.4997 107.9408 57.7067 62.9403 174.1459 32 S 4.5073 7.1396 115.4626 58.9443 64.1875 173.1000 33 D 5.0213 8.2958 120.1389 52.3633 43.6294 175.3696 34 L 4.7584 8.4728 124.5448 54.6148 43.3785 175.8543 35 V 4.5002 8.9023 125.8738 61.1324 34.5645 173.6265 36 N 5.3571 8.8670 124.5799 51.4593 41.1285 173.9465 37 L 4.8110 8.8528 122.6787 53.0649 46.3720 176.0728 38 D 4.8685 8.5651 122.2255 53.0015 42.8560 175.7710 39 K 3.9483 8.3874 121.5698 58.3510 32.3520 177.1018 40 G 3.7433 9.0371 115.3220 44.7552 0.0000 173.2180 41 A 4.1975 7.5447 121.7978 51.3630 20.3163 176.1851 42 Y 4.4219 8.1374 117.9049 57.6322 38.5447 176.0971 43 V 3.8046 8.5961 125.4628 65.5446 32.1373 175.8337 44 F 4.9630 7.0613 112.8709 55.9234 41.3208 173.1407 45 R 4.6883 9.2720 118.8960 53.8055 32.3897 175.8463 46 Q 4.5275 7.6024 122.2443 57.3874 29.3344 177.0915 47 G 4.0245 9.3873 114.1509 45.0176 0.0000 173.3915 48 E 4.3970 8.0450 119.5359 55.0286 31.1457 174.5430 49 P 4.3724 0.0000 0.0000 63.2975 31.9875 176.0999 50 A 3.1167 8.3805 127.8240 50.8268 18.4453 176.2129 51 H 4.9505 8.5898 116.6287 56.4207 30.9685 173.8962 52 A 5.2754 8.0443 118.9112 50.3034 22.6601 175.1504 53 F 5.1895 8.8128 114.4546 55.2441 41.9129 173.5539 54 Y 4.9178 8.6820 115.2909 56.2219 41.7589 174.1484 55 Y 5.1743 8.9879 124.4659 55.9263 41.4818 174.2818 56 L 4.3996 8.4037 129.7265 54.3102 42.3133 177.1467 57 I 3.9773 8.4339 128.3474 63.9229 37.3859 176.9533 58 S 4.5991 7.9938 115.2019 57.9123 66.2664 172.5624 59 G 4.0359 9.4430 106.1639 44.6695 0.0000 172.3512 60 C 4.7383 8.1787 117.3786 58.5905 35.9936 174.2202 61 V 4.7046 8.3320 126.0932 60.7891 34.3015 174.1227 62 K 4.9208 8.8687 127.0390 55.3044 35.4459 175.1228 63 I 5.0219 8.7180 123.2861 59.7474 40.3301 174.1437 64 Y 5.3483 8.5612 123.7613 55.9114 41.9313 173.6645 65 R 5.0157 9.2787 122.5165 55.1098 32.8875 175.9444 66 L 5.0161 8.6077 125.9222 54.6197 42.0956 174.3789 67 T 4.4934 8.8426 114.4889 59.0796 70.5860 174.2261 68 P 4.2867 0.0000 0.0000 65.0248 31.4442 176.8300 69 E 4.4239 7.8981 116.7459 55.6409 29.6803 176.1866 70 G 4.0241 8.6554 109.6073 46.1182 0.0000 174.8539 71 Q 4.4288 7.7864 119.9032 54.8817 29.9705 180.2481 72 E 4.6492 8.6037 122.0685 55.7340 30.5544 175.9963 73 K 4.4281 9.6014 127.3380 55.2597 33.7516 175.2282 74 I 4.6155 8.3729 128.7092 61.0825 37.7162 175.5531 75 L 4.5265 9.3521 128.3981 56.5909 42.4577 176.6639 76 E 4.7439 7.7585 113.8806 55.4738 32.7678 173.8628 77 V 4.6544 8.3358 120.5926 61.5543 33.7441 174.6085 78 T 4.5391 8.9164 125.3990 62.3817 69.9458 174.3126 79 N 5.1213 8.6230 123.4503 51.5908 40.9521 174.3698 80 E 4.1899 8.6867 118.6876 57.2390 30.3555 176.4385 81 R 3.9390 8.8218 116.9059 56.7324 28.3451 175.8839 82 N 5.4830 7.3546 113.1844 51.8552 43.1956 173.7365 83 T 5.4436 8.7515 110.4918 60.6599 71.7303 173.3005 84 F 5.1866 8.9089 115.8350 56.8911 41.7762 175.0430 85 A 4.1004 9.5186 121.4233 53.0232 16.2230 179.7357 86 E 3.7080 8.1272 116.0086 59.1514 29.7856 178.6833 87 A 4.2049 8.1398 121.1311 54.9144 17.9121 179.1005 88 M 4.0951 8.1023 117.5578 58.4334 31.7579 178.5584 89 M 3.9262 7.5172 117.9595 56.9323 32.0201 176.7443 90 F 4.9718 7.7812 117.1601 57.4272 40.1075 174.7250 91 M 4.8217 7.5309 118.3979 53.8310 35.1159 176.3636 92 D 4.7187 8.4187 122.8313 53.9838 40.5319 176.9007 93 T 4.6040 7.2299 112.1995 59.4152 70.8983 171.4377 94 P 4.3822 0.0000 0.0000 65.0527 32.5229 175.7589 95 N 5.3583 7.8013 115.5033 50.6819 41.7597 174.3707 96 Y 4.0565 8.1882 119.3872 59.1710 38.8215 177.7296 97 V 4.0611 8.6938 115.7528 61.4201 31.7628 174.7645 98 A 4.6490 7.6675 121.3135 51.6176 23.0435 175.1051 99 T 4.6166 8.5193 115.3805 61.7489 71.6027 173.9573 100 A 4.8144 7.9679 126.1776 49.9472 21.8571 174.9130 101 Q 4.6969 8.8304 123.2629 53.8079 32.8806 174.1781 102 A 4.4432 8.6589 128.6009 52.2848 19.0961 178.2780 103 V 4.0489 8.5762 115.3791 61.9342 32.5822 176.1212 104 V 4.5335 7.3660 112.0100 58.5600 36.1995 173.0157 105 P 4.4619 0.0000 0.0000 63.8506 31.4946 176.2477 106 S 4.9227 9.2882 119.3847 56.8690 68.0024 172.6976 107 Q 4.9368 9.0046 122.0900 54.5618 32.3933 173.9580 108 L 5.2597 9.0907 124.5617 53.1776 47.0343 174.9603 109 F 5.1769 8.8716 119.4055 56.0721 41.2129 175.0049 110 R 3.9941 8.7184 124.9595 54.6685 31.5682 174.6325 111 F 4.8659 8.1058 126.2630 55.3622 41.3730 175.8122 112 S 4.6320 8.6113 118.0769 58.1939 63.2508 174.1532 113 N 4.5723 9.6815 129.0279 57.3681 38.4594 178.3078 114 K 3.9596 8.1577 124.0422 59.8768 31.4024 180.6066 115 A 4.2696 7.9933 121.7390 54.9943 18.3296 179.1563 116 Y 4.0988 8.2979 118.1162 61.0213 39.1123 178.3935 117 L 4.0359 8.3073 119.7216 57.3940 41.3825 179.4858 118 R 3.8901 7.5370 117.9911 59.4438 30.2863 178.2496 119 Q 4.0472 7.7200 117.5547 58.6874 28.6374 178.2248 120 L 3.7824 7.6671 121.3815 58.3248 41.8868 179.0190 121 Q 4.1454 7.8170 116.2666 57.5603 28.8466 176.3100 122 D 4.9296 7.8894 119.7203 52.6944 39.9577 176.4376 123 N 4.7960 8.2309 118.9769 52.0734 39.9476 174.2018 124 T 3.8450 8.4475 121.0374 65.8282 68.7190 173.6853 125 P 4.2106 0.0000 0.0000 65.6692 31.3742 178.3110 126 L 3.8740 7.8547 118.0581 57.9798 42.0771 178.4329 127 A 3.9685 8.0047 120.7007 55.4077 18.2889 179.6279 128 L 3.8862 8.2607 117.4338 57.7127 41.6645 179.5938 129 A 3.9437 8.1505 120.8158 55.3379 18.3643 179.7919 130 L 3.8280 7.9297 117.3864 57.5292 41.5592 179.5171 131 L 3.8039 7.9755 120.3079 58.0206 42.0357 178.8779 132 A 3.9633 8.0803 120.7614 54.9696 18.2595 179.8503 133 K 3.8201 7.9399 116.8721 59.7049 32.1666 179.5914 134 L 3.9174 8.1177 119.6208 57.8234 41.2251 179.6635 135 S 4.0758 7.8010 112.3097 61.6793 62.4110 176.0662 136 T 4.0009 7.8710 118.5215 66.5341 67.9426 176.7346 137 R 4.0813 7.9619 119.7496 57.9246 30.4755 176.6194 138 L 4.8133 7.6168 120.8938 55.0554 41.9164 177.3191 *139 H 4.8387 8.0130 115.3105 54.9268 31.0270 177.6145 140 Q 4.1526 7.9448 115.5032 57.6873 27.9563 182.6301 141 R 4.7395 7.4815 117.9680 58.0855 29.9271 182.5813 142 I 4.5806 7.8448 116.3176 61.1960 36.7818 179.1561 143 D 4.7498 8.5211 123.3207 55.8776 41.9279 180.6592 144 E 4.5799 7.8526 117.3710 55.0729 29.2166 179.3229 145 I 3.9540 7.5334 121.1840 60.7581 35.9712 178.2724 146 E 4.5037 8.6684 122.4027 56.3222 30.5732 172.8802 147 T 4.7660 7.5220 111.3172 62.9826 72.3803 173.1010 148 L 4.6106 8.4551 123.0991 55.4765 40.7515 175.7757 149 S 4.7101 7.8605 112.9690 57.1637 64.9067 173.7740 150 L 4.3181 8.2400 121.0932 54.7805 41.6807 176.7714 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 8.16 4.68 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.14 0.00 2 E 8.20 4.10 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 3 F 7.78 4.21 0.00 3.18 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.22 3.67 0.00 2.14 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.92 0.00 0.00 0.00 0.00 0.00 2.22 2.13 0.00 5 R 7.61 3.86 0.00 1.87 1.98 0.00 3.28 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 6 V 7.70 3.84 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 0.86 0.00 0.00 1.03 0.00 0.00 7 H 8.25 4.43 0.00 3.22 3.36 0.00 5.66 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 8 Q 8.24 3.90 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 9 Q 8.01 3.99 0.00 2.18 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 10 L 7.85 4.25 0.00 2.05 1.99 1.15 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.88 3.72 0.00 1.54 1.12 0.42 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.25 4.14 0.00 2.37 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 13 S 7.57 4.32 0.00 4.28 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 14 H 7.94 4.50 0.00 3.44 3.74 0.00 5.60 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 H 8.78 4.23 0.00 3.26 3.45 0.00 5.77 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.86 4.06 0.00 0.97 0.77 0.55 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.17 4.88 0.00 3.34 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 18 E 8.58 4.19 0.00 2.12 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 2.34 2.41 0.00 19 P 0.00 4.47 0.00 2.07 2.08 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 20 L 7.44 4.47 0.00 1.85 1.62 1.05 1.26 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 21 S 8.54 4.39 0.00 4.02 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 22 P 0.00 4.19 0.00 2.16 2.16 0.00 3.59 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 2.11 2.17 0.00 23 V 7.70 3.54 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 1.06 0.00 0.00 0.92 0.00 0.00 24 Q 7.96 4.11 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.59 0.00 0.00 0.00 0.00 0.00 2.52 2.35 0.00 25 L 8.06 3.93 0.00 1.91 1.79 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.01 3.88 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 27 E 8.11 3.92 0.00 2.11 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 2.32 2.32 0.00 28 L 7.71 4.03 0.00 1.89 1.92 1.16 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.14 3.99 0.00 1.80 1.62 0.83 0.54 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 30 A 8.04 4.05 1.39 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 0.00 0.00 0.00 31 S 7.50 4.50 0.00 3.93 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 32 S 7.14 4.51 0.00 3.37 3.65 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 33 D 8.30 5.02 0.00 2.57 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 34 L 8.47 4.76 0.00 1.69 1.56 0.80 0.82 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 35 V 8.90 4.50 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 0.97 0.00 0.00 1.06 0.00 0.00 36 N 8.87 5.36 0.00 2.59 2.66 0.00 0.00 6.87 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 37 L 8.85 4.81 0.00 1.46 1.41 0.83 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.57 4.87 0.00 2.55 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.39 3.95 0.00 1.65 1.67 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.49 7.81 40 G 9.04 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 0.00 0.00 0.00 41 A 7.54 4.20 1.19 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 0.00 0.00 0.00 42 Y 8.14 4.42 0.00 2.89 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 43 V 8.60 3.80 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.74 0.00 0.00 44 F 7.06 4.96 0.00 2.53 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 45 R 9.27 4.69 0.00 1.80 1.68 0.00 3.20 0.00 0.00 2.84 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.38 0.00 46 Q 7.60 4.53 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.42 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 47 G 9.39 4.02 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 0.00 0.00 0.00 48 E 8.05 4.40 0.00 2.40 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 2.39 2.35 0.00 49 P 0.00 4.37 0.00 1.83 1.88 0.00 3.71 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 2.04 2.09 0.00 50 A 8.38 3.12 0.13 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 51 H 8.59 4.95 0.00 3.08 3.26 0.00 5.59 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 52 A 8.04 5.28 1.05 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 53 F 8.81 5.19 0.00 3.37 3.25 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 54 Y 8.68 4.92 0.00 1.52 2.46 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 55 Y 8.99 5.17 0.00 3.45 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 56 L 8.40 4.40 0.00 1.99 1.60 1.02 1.26 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 57 I 8.43 3.98 1.81 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.48 0.86 0.00 0.00 58 S 7.99 4.60 0.00 3.80 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 59 G 9.44 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 0.00 0.00 0.00 60 C 8.18 4.74 0.00 2.96 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 61 V 8.33 4.70 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 -0.12 0.00 0.00 0.78 0.00 0.00 62 K 8.87 4.92 0.00 1.81 1.82 0.00 1.19 0.00 0.00 1.55 0.00 0.00 2.74 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.29 1.51 7.81 63 I 8.72 5.02 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.72 0.98 0.00 0.00 64 Y 8.56 5.35 0.00 3.09 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 9.28 5.02 0.00 1.80 1.99 0.00 3.16 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.59 0.00 66 L 8.61 5.02 0.00 1.43 1.45 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.84 4.49 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 1.34 0.00 0.00 68 P 0.00 4.29 0.00 2.07 2.19 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 69 E 7.90 4.42 0.00 1.91 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 2.23 2.23 0.00 70 G 8.66 4.02 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 0.00 0.00 0.00 71 Q 7.79 4.43 0.00 1.76 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.06 0.00 0.00 0.00 0.00 0.00 2.34 1.96 0.00 72 E 8.60 4.65 0.00 1.72 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.11 0.00 73 K 9.60 4.43 0.00 1.83 1.74 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.45 7.81 74 I 8.37 4.62 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.93 0.99 0.00 0.00 75 L 9.35 4.53 0.00 1.66 1.76 1.05 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 76 E 7.76 4.74 0.00 2.00 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 2.27 2.26 0.00 77 V 8.34 4.65 2.05 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 0.78 0.00 0.00 0.90 0.00 0.00 78 T 8.92 4.54 4.02 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 1.36 0.00 0.00 79 N 8.62 5.12 0.00 2.66 2.72 0.00 0.00 6.88 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 80 E 8.69 4.19 0.00 2.11 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 2.27 2.37 0.00 81 R 8.82 3.94 0.00 2.02 2.24 0.00 3.20 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 82 N 7.35 5.48 0.00 2.72 2.79 0.00 0.00 6.67 6.93 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 83 T 8.75 5.44 4.59 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 1.62 0.00 0.00 84 F 8.91 5.19 0.00 3.20 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 85 A 9.52 4.10 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.13 3.71 0.00 1.55 1.68 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 2.34 2.20 0.00 87 A 8.14 4.20 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 88 M 8.10 4.10 0.00 1.89 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.83 0.00 89 M 7.52 3.93 0.00 0.75 1.76 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.33 0.00 90 F 7.78 4.97 0.00 3.02 2.98 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 91 M 7.53 4.82 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.50 0.00 92 D 8.42 4.72 0.00 2.66 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 93 T 7.23 4.60 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 1.19 0.00 0.00 94 P 0.00 4.38 0.00 2.09 2.24 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 2.03 1.97 0.00 95 N 7.80 5.36 0.00 2.56 2.70 0.00 0.00 6.88 7.46 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 96 Y 8.19 4.06 0.00 3.06 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.69 4.06 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 0.78 0.00 0.00 1.02 0.00 0.00 98 A 7.67 4.65 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 99 T 8.52 4.62 3.09 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 0.00 0.00 1.07 0.00 0.00 100 A 7.97 4.81 0.05 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 0.00 101 Q 8.83 4.70 0.00 2.16 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 1.95 1.76 0.00 102 A 8.66 4.44 1.26 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 0.00 0.00 103 V 8.58 4.05 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 0.65 0.00 0.00 0.92 0.00 0.00 104 V 7.37 4.53 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.88 0.00 0.00 105 P 0.00 4.46 0.00 1.89 1.98 0.00 3.58 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 106 S 9.29 4.92 0.00 3.63 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 0.00 107 Q 9.00 4.94 0.00 1.99 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.67 0.00 0.00 0.00 0.00 0.00 2.04 2.47 0.00 108 L 9.09 5.26 0.00 1.71 1.75 0.95 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.87 5.18 0.00 2.84 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.72 3.99 0.00 1.70 1.63 0.00 3.08 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.03 0.00 111 F 8.11 4.87 0.00 1.61 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.61 4.63 0.00 3.86 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 0.00 113 N 9.68 4.57 0.00 2.81 2.85 0.00 0.00 6.80 7.67 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 0.00 114 K 8.16 3.96 0.00 1.76 1.83 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.08 7.81 115 A 7.99 4.27 1.39 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 0.00 0.00 0.00 116 Y 8.30 4.10 0.00 3.39 3.29 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 0.00 117 L 8.31 4.04 0.00 1.73 1.68 0.79 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.54 3.89 0.00 2.03 2.02 0.00 3.26 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 119 Q 7.72 4.05 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.55 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 120 L 7.67 3.78 0.00 1.62 1.79 0.86 0.92 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 0.00 121 Q 7.82 4.15 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.20 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 122 D 7.89 4.93 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 0.00 123 N 8.23 4.80 0.00 2.73 2.59 0.00 0.00 7.27 6.73 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 0.00 124 T 8.45 3.84 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 1.19 0.00 0.00 125 P 0.00 4.21 0.00 2.13 2.10 0.00 3.50 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 2.10 2.15 0.00 126 L 7.85 3.87 0.00 1.70 1.75 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.00 3.97 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 0.00 128 L 8.26 3.89 0.00 1.80 1.70 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.15 3.94 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 0.00 130 L 7.93 3.83 0.00 1.66 1.25 1.06 0.24 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 0.00 131 L 7.98 3.80 0.00 1.91 1.79 0.86 0.95 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 0.00 132 A 8.08 3.96 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 0.00 133 K 7.94 3.82 0.00 1.85 1.78 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.55 7.81 134 L 8.12 3.92 0.00 1.73 1.62 0.76 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 135 S 7.80 4.08 0.00 3.88 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 0.00 136 T 7.87 4.00 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 1.20 0.00 0.00 137 R 7.96 4.08 0.00 1.81 2.10 0.00 3.22 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 138 L 7.62 4.81 0.00 1.72 1.61 0.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 *139 H 8.01 4.84 0.00 2.76 2.97 0.00 7.19 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 7.94 4.15 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.43 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 141 R 7.48 4.74 0.00 1.72 1.81 0.00 3.19 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 142 I 7.84 4.58 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 1.27 1.21 0.91 0.00 0.00 143 D 8.52 4.75 0.00 2.67 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 0.00 144 E 7.85 4.58 0.00 1.96 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 0.00 2.14 1.84 0.00 145 I 7.53 3.95 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 1.27 1.10 0.91 0.00 0.00 146 E 8.67 4.50 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.88 0.00 147 T 7.52 4.77 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 0.00 148 L 8.46 4.61 0.00 1.69 1.70 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 149 S 7.86 4.71 0.00 3.82 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 0.00 150 L 8.24 4.32 0.00 1.65 1.53 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.