NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 H 4.7514 8.4449 117.3717 53.9114 29.8300 173.9938 8 M 4.6852 8.5770 116.6449 54.2559 33.4661 175.0909 9 K 4.0009 7.9209 118.8998 56.2539 34.6359 177.7817 10 L 3.7155 8.7020 125.6192 58.3905 42.0794 178.7299 11 E 4.0161 8.2260 115.8836 59.8727 29.3322 177.9135 12 N 4.7741 7.8236 113.3708 53.6549 38.6420 175.0702 13 Q 4.6265 7.8695 118.2578 53.7418 30.9349 175.5507 14 L 3.9714 8.6054 127.2495 58.3520 42.1439 178.7429 15 S 4.1311 8.2266 113.5858 61.7486 62.5781 176.1487 16 F 4.1734 8.1489 123.6631 60.8985 39.1655 176.8182 17 L 3.8151 8.1766 118.5661 57.6584 41.3343 179.5675 18 L 3.8987 8.3106 119.2058 57.8941 41.1012 178.7561 19 Y 4.0422 8.1983 119.3778 60.7117 38.7239 178.1767 20 A 3.5050 8.1392 121.6645 55.0764 18.4612 179.2447 21 S 3.9131 7.8827 111.7962 61.8764 62.4899 176.5231 22 S 4.0296 8.1614 115.5117 61.1936 62.0422 176.2758 23 R 3.8540 7.3116 120.1301 58.8668 29.6322 178.6547 24 E 3.9641 7.9083 117.6081 58.9898 29.6713 178.8631 25 M 4.1237 7.8602 118.6444 58.9672 32.4086 178.1268 26 T 3.4110 7.3826 115.4386 66.5807 68.3668 176.1865 27 K 3.8585 7.7932 120.0690 59.8515 32.1905 178.5226 28 Q 4.0941 7.9076 117.2188 58.8623 28.7844 177.8140 29 Y 4.0125 7.9765 117.6127 60.2285 38.0152 177.4635 30 K 3.9264 8.0981 121.0574 59.3175 32.0213 176.4960 31 P 4.2504 0.0000 0.0000 65.5556 31.5176 178.2743 32 L 4.1202 7.7848 117.0657 57.9632 41.6948 179.4778 33 L 4.2009 8.2476 118.3479 57.2033 41.4212 178.9130 34 D 4.5409 8.2492 118.8526 56.4239 40.6149 178.0532 35 K 4.2850 7.6875 117.3355 57.6002 32.2510 177.8154 36 L 4.6764 7.5184 117.4230 53.0550 43.1391 175.5518 37 N 4.2656 8.0496 115.5833 54.0873 36.6390 173.6579 38 I 4.8147 7.5616 108.2589 58.7051 41.3193 174.7802 39 T 4.4778 8.0659 112.4333 60.5486 71.7693 175.1718 40 Y 4.1347 8.3547 120.6870 60.4464 38.7825 175.9391 41 P 4.0526 0.0000 0.0000 65.2718 31.4076 178.6398 42 Q 3.9025 7.9707 116.8566 58.7570 28.5018 177.8614 43 Y 3.9514 7.9779 120.5849 60.6309 38.8687 178.0488 44 L 3.4453 7.3862 119.4063 57.7356 41.6982 179.1392 45 A 3.7993 7.5072 120.2249 55.4602 18.2153 179.6627 46 L 3.2304 7.6139 117.3348 57.5982 41.1330 179.6735 47 L 3.9999 7.3474 119.1490 57.6058 41.4239 179.7673 48 L 4.0046 7.4453 118.7735 57.7924 41.4418 179.4064 49 L 4.1064 7.5309 117.6232 57.6081 41.6009 178.8924 50 W 4.5336 8.2850 117.8936 58.7255 29.1636 176.4718 51 E 4.3815 7.4234 117.8472 56.7113 29.8875 175.5954 52 H 4.7445 8.0268 116.9932 54.9701 30.1955 174.6824 53 E 3.9601 7.6529 119.7248 56.1832 30.6754 175.7869 54 T 5.1828 7.5957 115.3471 61.5769 71.5733 173.2540 55 L 4.7818 8.6276 123.3814 53.5204 46.6891 175.8558 56 T 4.4825 8.3861 118.1147 63.2666 69.9040 176.0289 57 V 3.5132 8.3337 124.3694 66.2068 31.5598 178.7710 58 K 3.9351 7.9695 118.0036 59.9239 32.3208 178.7259 59 K 4.0348 7.9171 120.2939 59.3002 32.1336 178.3221 60 M 4.0321 8.3526 118.9683 58.5861 32.0963 178.3777 61 G 3.6090 8.3932 106.2660 47.7736 0.0000 175.3535 62 E 3.8024 8.4077 121.2740 59.2394 29.2733 179.6012 63 Q 3.8467 7.6072 116.3998 58.9589 28.9984 178.4826 64 L 4.2004 8.0047 117.3731 55.0888 41.8808 176.6163 65 Y 3.4696 7.1537 114.1459 59.2700 35.6101 168.8126 66 L 4.9442 7.9583 119.5850 52.9452 45.3338 174.8567 67 D 4.8071 8.0584 117.4286 51.5091 42.4713 174.6815 68 S 4.4032 8.3551 114.1153 59.2184 63.2474 173.2053 69 G 4.2135 9.0042 109.0318 45.9476 0.0000 174.5289 70 T 4.4350 7.8055 113.3617 64.8041 71.1874 176.2296 71 L 4.0160 8.1223 121.2759 57.9451 41.4845 179.7960 72 T 3.8601 7.7721 115.2539 66.2727 68.4518 174.9760 73 P 4.2863 0.0000 0.0000 65.3868 31.3171 178.4684 74 M 3.9748 7.9229 116.7695 58.7629 32.1970 178.3322 75 L 3.9379 8.3350 119.4289 57.6716 41.6694 179.8015 76 K 4.0244 7.9779 118.6572 59.3298 32.0050 179.6436 77 R 3.9257 8.2436 118.6161 59.5949 30.0087 179.0582 78 M 4.0763 8.3530 118.7041 58.0155 31.7337 178.6180 79 E 3.9895 7.8947 119.3783 59.4434 29.7408 178.3730 80 Q 3.4983 7.9414 118.0922 59.4251 29.0302 178.1278 81 Q 4.2452 8.0332 117.3596 56.5785 28.9514 177.0541 82 G 3.9637 8.7903 109.0034 45.3010 0.0000 174.1240 83 L 4.5007 8.0058 120.6049 56.1564 42.8716 176.2490 84 I 5.0256 7.4474 110.4894 60.1126 40.8090 173.5312 85 T 4.8137 9.3471 112.4738 59.9205 72.4405 173.1231 86 R 5.1712 8.5824 122.5788 55.1544 33.3784 175.6622 87 K 4.7518 8.6769 126.1779 53.1373 36.2896 172.5565 88 R 4.4621 8.5787 122.5045 55.7556 30.9827 176.4519 89 S 4.4151 9.2847 118.2178 58.2886 63.4535 174.5372 90 E 4.3645 8.8019 124.0694 56.8768 30.0439 176.9796 91 E 4.1657 8.1926 120.1929 57.8706 30.1408 176.4745 92 D 4.6647 7.8204 117.7605 53.0457 43.1733 177.3142 93 E 4.0171 8.2286 110.9260 56.8596 28.8605 180.2784 94 R 4.3950 8.4641 114.5413 58.0942 31.6268 176.8452 95 S 4.5140 7.7589 112.1711 57.6161 64.0506 173.0169 96 V 4.7569 8.2812 124.9973 61.1339 34.4511 173.8659 97 L 4.9090 9.2259 127.4978 53.1577 44.3437 175.3695 98 I 4.7191 9.1505 125.8573 60.1501 38.6949 174.9332 99 S 5.0984 8.6876 123.2846 56.3648 66.2504 173.7448 100 L 4.7823 7.9637 125.5223 55.1850 43.1341 175.7049 101 T 4.4427 8.1689 113.2767 59.5001 72.2189 173.7709 102 E 3.8464 9.1139 120.1548 60.4360 29.1515 178.2327 103 D 4.5707 8.1836 117.7333 57.5078 40.8538 179.0675 104 G 3.9705 7.9849 106.0924 47.2444 0.0000 175.1391 105 A 4.4882 8.5159 123.2375 54.7154 18.7791 179.7131 106 L 4.0826 8.5490 117.9329 57.6888 41.5405 179.3731 107 L 4.0779 8.3847 120.7062 57.8624 41.8995 178.7601 108 K 2.4800 7.6289 119.5129 58.9047 31.5105 178.3519 109 E 3.8159 7.6653 117.7552 58.4814 29.3570 178.4151 110 K 4.4462 7.8437 115.8308 56.0760 32.9473 176.9962 111 A 4.7575 7.7783 121.3475 51.8059 19.6214 179.1052 112 V 3.6267 7.6741 116.9100 64.3613 31.7806 177.1445 113 D 4.5262 7.9989 118.9468 55.6855 41.2974 177.8763 114 I 3.5982 7.4623 120.9628 64.1517 37.0195 176.1061 115 P 4.4227 0.0000 0.0000 65.7118 31.2084 178.9619 116 G 3.6142 8.0400 103.8501 48.2430 0.0000 175.7394 117 T 3.8801 7.8936 117.4589 66.1119 68.6268 176.7733 118 I 3.6569 7.7273 121.7192 64.3501 37.2038 178.1182 119 L 4.0181 8.0883 121.2938 58.3148 41.5853 179.3292 120 G 3.6206 7.7165 104.5365 47.3009 0.0000 175.0462 121 L 4.1110 7.8694 121.1115 56.4414 43.1583 177.7780 122 S 4.7487 7.5812 116.7832 57.4922 60.7743 173.6781 123 K 4.3524 7.6157 116.1637 57.3070 33.7582 177.6687 124 Q 3.8515 8.2242 119.2883 57.0394 27.5740 178.1576 125 S 3.6931 9.8442 115.7749 57.7552 63.0702 171.9467 126 G 3.6043 8.1524 107.6301 46.2103 0.0000 173.5109 127 E 4.5145 7.5328 115.4481 55.1172 32.2715 178.1172 128 D 4.6619 8.2201 120.2052 53.4126 38.5552 176.7210 129 L 4.1270 8.1499 125.4776 57.1177 42.0681 179.1753 130 K 4.1942 8.0375 126.2969 60.1745 32.0063 185.0000 131 Q 4.3022 8.2199 121.9327 59.6681 27.9239 180.3877 132 L 4.0938 7.8108 121.0025 58.1720 42.2425 178.6432 133 K 3.6108 7.7599 117.9762 59.7961 32.0608 178.8642 134 S 4.4219 8.0674 112.6261 61.7048 62.3196 176.1635 135 A 4.1291 8.0214 123.1455 55.2859 18.0952 179.6779 136 L 3.9495 8.0458 117.5926 57.9011 41.5863 178.9704 137 Y 4.2917 8.0129 117.2788 61.6639 37.8072 178.9851 138 T 4.2300 7.8195 110.2866 64.1357 68.9796 176.1575 139 L 3.9041 7.8834 122.9559 58.0270 41.9520 178.7825 140 L 3.9145 8.0745 119.0612 58.1755 41.7287 178.4148 141 E 4.2543 8.2974 118.4405 59.0830 29.2054 179.2161 142 T 3.9176 7.8382 115.6248 66.2721 69.9014 175.8859 143 L 4.3395 7.7532 122.2204 55.4285 40.1484 177.7705 *144 H 4.5788 7.7855 118.7012 54.6086 28.5262 176.1584 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 H 8.44 4.75 0.00 2.95 2.79 0.00 7.11 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 8 M 8.58 4.69 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 9 K 7.92 4.00 0.00 1.78 1.68 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.41 7.81 10 L 8.70 3.72 0.00 1.46 1.41 0.10 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.23 4.02 0.00 1.98 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 2.27 2.30 0.00 12 N 7.82 4.77 0.00 2.68 2.84 0.00 0.00 6.95 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 13 Q 7.87 4.63 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 14 L 8.61 3.97 0.00 1.77 1.69 0.93 0.89 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 15 S 8.23 4.13 0.00 4.08 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 16 F 8.15 4.17 0.00 3.08 3.34 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 17 L 8.18 3.82 0.00 1.92 1.69 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.31 3.90 0.00 1.80 1.70 0.91 0.64 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 19 Y 8.20 4.04 0.00 2.88 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 0.00 20 A 8.14 3.50 0.75 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 0.00 0.00 21 S 7.88 3.91 0.00 3.77 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 22 S 8.16 4.03 0.00 3.90 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 23 R 7.31 3.85 0.00 1.78 1.76 0.00 2.98 0.00 0.00 2.80 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.34 0.00 24 E 7.91 3.96 0.00 1.87 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 0.00 2.41 2.39 0.00 25 M 7.86 4.12 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.64 0.00 26 T 7.38 3.41 4.20 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 1.09 0.00 0.00 27 K 7.79 3.86 0.00 1.86 2.02 0.00 1.91 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.46 7.81 28 Q 7.91 4.09 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 29 Y 7.98 4.01 0.00 3.05 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 30 K 8.10 3.93 0.00 1.84 1.94 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.53 7.81 31 P 0.00 4.25 0.00 2.03 2.08 0.00 3.92 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 2.00 2.17 0.00 32 L 7.78 4.12 0.00 1.71 1.66 0.65 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.25 4.20 0.00 1.70 1.97 0.75 1.60 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 34 D 8.25 4.54 0.00 2.84 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 35 K 7.69 4.28 0.00 1.92 1.88 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.62 7.81 36 L 7.52 4.68 0.00 1.81 1.78 1.18 1.15 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 37 N 8.05 4.27 0.00 2.84 2.91 0.00 0.00 6.67 8.05 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 38 I 7.56 4.81 1.92 0.00 0.00 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 1.57 0.76 1.00 0.00 0.00 39 T 8.07 4.48 4.29 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 1.23 0.00 0.00 40 Y 8.35 4.13 0.00 2.95 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 41 P 0.00 4.05 0.00 2.16 2.02 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 42 Q 7.97 3.90 0.00 2.36 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 43 Y 7.98 3.95 0.00 3.02 3.07 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 44 L 7.39 3.45 0.00 1.60 1.46 0.62 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.51 3.80 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 46 L 7.61 3.23 0.00 1.36 0.13 0.54 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.35 4.00 0.00 1.58 1.59 0.73 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.45 4.00 0.00 1.81 1.66 0.84 0.58 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 49 L 7.53 4.11 0.00 1.41 1.59 0.85 0.69 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 50 W 8.29 4.53 0.00 3.35 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 51 E 7.42 4.38 0.00 2.10 1.60 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 2.18 2.19 0.00 52 H 8.03 4.74 0.00 3.14 3.15 0.00 5.74 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.65 3.96 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.96 0.00 54 T 7.60 5.18 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 1.25 0.00 0.00 55 L 8.63 4.78 0.00 1.56 1.44 0.90 0.53 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 56 T 8.39 4.48 4.20 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 1.24 0.00 0.00 57 V 8.33 3.51 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 1.08 0.00 0.00 0.94 0.00 0.00 58 K 7.97 3.94 0.00 1.99 2.03 0.00 1.54 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.46 7.81 59 K 7.92 4.03 0.00 1.76 1.78 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.38 7.81 60 M 8.35 4.03 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 61 G 8.39 3.61 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 0.00 0.00 0.00 62 E 8.41 3.80 0.00 2.07 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 2.25 2.55 0.00 63 Q 7.61 3.85 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 64 L 8.00 4.20 0.00 1.72 1.72 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 7.15 3.47 0.00 3.17 3.07 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 66 L 7.96 4.94 0.00 1.57 1.58 0.90 1.17 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 67 D 8.06 4.81 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.36 4.40 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 69 G 9.00 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 0.00 0.00 0.00 0.00 70 T 7.81 4.43 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 1.21 0.00 0.00 71 L 8.12 4.02 0.00 1.77 1.68 0.89 0.55 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 72 T 7.77 3.86 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 1.20 0.00 0.00 73 P 0.00 4.29 0.00 2.15 2.09 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 2.10 2.13 0.00 74 M 7.92 3.97 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 75 L 8.33 3.94 0.00 1.85 1.68 0.86 0.70 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 76 K 7.98 4.02 0.00 2.06 1.84 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.59 7.81 77 R 8.24 3.93 0.00 1.97 1.97 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 78 M 8.35 4.08 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.51 0.00 79 E 7.89 3.99 0.00 2.15 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 2.30 2.49 0.00 80 Q 7.94 3.50 0.00 2.18 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 81 Q 8.03 4.25 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.59 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 82 G 8.79 3.96 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 0.00 83 L 8.01 4.50 0.00 1.62 1.72 0.98 0.76 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 84 I 7.45 5.03 1.99 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 1.37 0.35 0.85 0.00 0.00 85 T 9.35 4.81 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 86 R 8.58 5.17 0.00 1.64 1.82 0.00 3.13 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 87 K 8.68 4.75 0.00 1.41 1.59 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.26 1.26 7.81 88 R 8.58 4.46 0.00 1.68 1.88 0.00 3.47 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 89 S 9.28 4.42 0.00 3.84 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 90 E 8.80 4.36 0.00 1.99 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 0.00 2.26 2.28 0.00 91 E 8.19 4.17 0.00 1.93 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 0.00 2.30 2.23 0.00 92 D 7.82 4.66 0.00 2.68 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.02 0.00 2.16 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 2.16 2.13 0.00 94 R 8.46 4.40 0.00 2.00 1.99 0.00 3.11 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 95 S 7.76 4.51 0.00 3.89 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 96 V 8.28 4.76 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 0.94 0.00 0.00 0.92 0.00 0.00 97 L 9.23 4.91 0.00 1.68 1.53 0.91 0.73 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 98 I 9.15 4.72 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.10 0.86 0.00 0.00 99 S 8.69 5.10 0.00 3.75 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.96 4.78 0.00 1.68 1.60 0.98 1.09 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 0.00 101 T 8.17 4.44 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 0.00 102 E 9.11 3.85 0.00 2.11 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 2.40 2.52 0.00 103 D 8.18 4.57 0.00 2.76 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 0.00 104 G 7.98 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.52 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.55 4.08 0.00 1.84 1.75 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.38 4.08 0.00 2.11 2.19 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.63 2.48 0.00 0.79 1.22 0.00 0.94 0.00 0.00 1.19 0.00 0.00 2.73 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.80 0.21 7.81 109 E 7.67 3.82 0.00 2.03 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 0.00 2.26 2.35 0.00 110 K 7.84 4.45 0.00 1.82 1.84 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.43 7.81 111 A 7.78 4.76 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.67 3.63 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 0.72 0.00 0.00 0.90 0.00 0.00 113 D 8.00 4.53 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.46 3.60 2.24 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.54 0.93 0.00 0.00 115 P 0.00 4.42 0.00 2.22 2.22 0.00 3.85 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 116 G 8.04 3.61 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 0.00 0.00 0.00 117 T 7.89 3.88 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 1.12 0.00 0.00 118 I 7.73 3.66 1.89 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.04 0.84 0.00 0.00 119 L 8.09 4.02 0.00 1.88 1.67 0.93 0.95 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 0.00 120 G 7.72 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 0.00 121 L 7.87 4.11 0.00 1.82 1.74 0.95 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 0.00 122 S 7.58 4.75 0.00 4.01 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.62 4.35 0.00 1.84 1.87 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.35 7.81 124 Q 8.22 3.85 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.08 0.00 0.00 0.00 0.00 0.00 2.37 1.93 0.00 125 S 9.84 3.69 0.00 4.04 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 0.00 126 G 8.15 3.60 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 0.00 0.00 0.00 127 E 7.53 4.51 0.00 2.08 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 0.00 2.31 2.28 0.00 128 D 8.22 4.66 0.00 2.77 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 0.00 129 L 8.15 4.13 0.00 1.73 1.72 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.04 4.19 0.00 1.76 1.80 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.06 7.81 131 Q 8.22 4.30 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 132 L 7.81 4.09 0.00 1.73 1.83 0.90 0.79 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 0.00 133 K 7.76 3.61 0.00 2.01 1.64 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.57 7.81 134 S 8.07 4.42 0.00 4.10 4.10 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 0.00 135 A 8.02 4.13 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 0.00 136 L 8.05 3.95 0.00 1.62 1.60 0.83 0.91 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 0.00 137 Y 8.01 4.29 0.00 3.26 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 0.00 138 T 7.82 4.23 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 1.30 0.00 0.00 139 L 7.88 3.90 0.00 1.90 1.85 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.07 3.91 0.00 1.60 2.05 0.29 0.83 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 0.00 141 E 8.30 4.25 0.00 2.24 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 2.43 2.72 0.00 142 T 7.84 3.92 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 1.22 0.00 0.00 143 L 7.75 4.34 0.00 1.66 1.64 0.90 0.97 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 *144 H 7.79 4.58 0.00 2.90 2.79 0.00 7.23 0.00 0.00 0.00 0.00 6.91 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.