NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 P 4.4518 0.0000 0.0000 62.9265 33.3015 177.6419 20 G 3.6620 8.0323 104.5622 45.1709 0.0000 170.1413 21 E 4.2514 8.3187 120.8475 55.9524 31.4944 174.6306 22 W 4.5808 7.4034 118.1593 56.1303 29.6548 174.2755 23 P 4.3894 0.0000 0.0000 62.9661 31.5840 175.6718 24 T 4.2895 8.0496 116.7095 63.0655 69.5061 173.9005 25 H 4.6872 8.6726 124.3815 54.6266 30.9190 174.4827 26 T 4.6008 8.5095 119.5158 63.5071 68.6508 174.3268 27 V 4.2885 8.8823 127.0548 64.5131 33.0178 175.5356 28 C 4.9377 7.6088 116.1861 55.2153 44.7379 173.7019 29 K 4.7182 8.4822 124.5112 55.6185 33.4972 173.9998 30 E 4.7349 9.3091 128.0638 54.3591 33.1116 177.1844 31 E 3.9683 8.9359 114.1501 59.1776 29.5609 174.9669 32 N 5.2909 8.0564 114.8066 52.0842 40.9287 173.3928 33 L 4.8745 8.0583 121.4691 53.9395 45.9555 174.3580 34 E 4.9936 9.1679 125.3657 54.6740 34.1770 174.7663 35 I 4.9751 8.2413 123.8312 60.0032 41.5228 173.9173 36 Y 5.4203 9.2089 124.1181 56.3780 42.3489 174.0566 37 Y 5.6966 8.5787 118.0105 54.3840 42.2456 173.9488 38 K 4.6404 8.2142 120.7601 54.4038 35.8096 175.1919 39 S 4.8789 8.8701 122.7188 58.6756 62.8684 172.3248 40 C 4.9357 8.7862 120.6492 55.2475 38.4903 172.9485 41 D 4.7698 8.2259 121.1140 52.8591 40.8683 175.3873 42 P 4.5251 0.0000 0.0000 65.7752 31.7917 177.6433 43 Q 4.2860 8.1718 118.0022 58.7550 28.7348 176.4677 44 Q 4.1637 7.6633 111.9236 55.3971 31.3272 172.8656 45 D 3.9309 6.7699 119.1873 53.0948 42.5053 174.3829 46 F 5.0047 7.4753 114.5640 55.5744 41.2394 173.1440 47 A 4.8946 9.0123 121.2513 50.4555 21.1931 175.9310 48 F 5.3050 8.6969 123.2067 57.2172 42.6011 173.2558 49 S 4.8139 8.9122 119.9925 56.7207 66.4496 172.2065 50 I 4.7144 8.1185 124.9458 59.5889 38.5719 175.4203 51 D 4.4906 9.0533 127.8173 56.7992 41.6808 176.8912 52 R 4.4038 7.8209 118.9044 53.7373 32.2215 175.5863 53 C 4.1726 9.0277 124.4556 60.2037 36.2179 176.1469 54 S 3.9972 7.9947 114.3153 60.7146 62.5717 175.7017 55 D 4.4489 8.2317 122.8276 56.9073 40.5430 178.5788 56 V 3.3155 7.7050 113.6113 64.2765 31.1623 178.2780 57 T 4.0805 7.5707 108.8778 63.9540 68.8991 175.6216 58 T 4.3321 8.2018 114.2062 61.9266 69.4984 176.7962 *59 H 4.3560 8.3599 117.1721 55.4463 27.3582 179.0218 60 T 5.2615 7.8880 114.7151 62.5171 70.5665 173.6195 61 F 5.0606 8.2366 120.3575 55.6618 42.2204 172.8264 62 D 5.3532 8.8680 120.0443 53.2085 42.7685 175.6187 63 I 4.8072 8.8365 116.0307 59.0680 41.6739 174.2498 64 R 5.1824 8.5914 120.5517 54.4444 33.5220 174.8174 65 A 5.3806 9.2584 123.8620 50.6862 23.3801 174.7829 66 A 4.9310 9.1457 121.3515 50.8689 23.0161 175.3183 67 M 4.8232 8.4541 117.8827 53.9481 35.1863 173.9077 68 V 4.1707 8.0383 120.6404 62.2741 32.8618 175.0203 69 L 4.2066 8.8819 131.1634 54.9085 42.7138 176.8424 70 R 4.6060 8.7108 124.0352 56.2102 31.0591 175.8866 71 Q 4.6477 7.6957 116.7881 53.6322 33.0655 174.8809 72 S 4.2179 8.8586 116.2067 58.9686 62.8419 174.2879 73 I 4.5302 7.9619 119.6677 59.8721 38.0124 176.6560 74 K 3.9264 7.9873 124.5795 60.1612 32.3010 176.2423 75 E 4.7613 8.5447 117.2547 54.1627 33.0431 175.0285 76 L 5.0095 8.3204 125.2478 53.4379 45.3188 174.6682 77 Y 5.3289 9.2822 123.2942 56.1073 41.9522 174.2658 78 A 5.2016 9.2461 124.6072 49.9882 22.4187 175.0474 79 K 4.8044 9.0128 122.5640 54.4661 35.5393 174.9304 80 V 4.6592 8.5573 127.1934 61.0475 34.4372 173.7034 81 D 5.4032 9.1383 127.5851 52.3700 44.4044 174.4904 82 L 5.1687 9.2320 125.3624 53.5072 44.2944 174.9380 83 I 5.0985 9.2910 127.1671 59.6125 40.7204 174.6232 84 I 4.7103 8.5235 127.1854 59.7262 40.7768 175.5360 85 N 4.0600 9.9535 125.9484 54.4377 35.8765 175.7169 86 G 3.9910 8.4914 104.9851 45.3917 0.0000 173.8759 87 K 4.4295 7.6758 120.2112 54.7062 33.5745 175.8163 88 T 4.5007 8.4714 120.9109 63.5962 67.9864 174.6852 89 V 4.1037 8.3661 120.7698 62.2080 32.7484 176.4277 90 L 4.6762 7.4041 120.4351 53.9066 45.4444 173.9404 91 S 5.2176 8.6163 119.3840 56.9567 65.6817 172.2495 92 Y 5.1143 8.9376 123.9257 55.5601 41.8825 174.0092 93 S 5.2757 8.8486 115.1081 56.8799 66.7455 173.1814 94 E 4.8145 9.3393 124.0631 54.7646 33.2878 174.2214 95 T 4.6299 8.6177 122.6427 63.0225 69.1500 174.4118 96 L 4.3403 8.9879 127.0261 56.4024 43.6721 176.3302 97 C 5.0145 7.5496 114.8774 54.8101 45.3993 173.8728 98 G 4.1579 8.2302 109.4125 45.2535 0.0000 170.6089 99 P 4.4074 0.0000 0.0000 63.6744 31.3388 176.8630 100 G 3.9809 8.9780 110.6453 46.3612 0.0000 173.3783 101 L 4.7231 8.1262 115.6032 53.9842 43.5618 176.3551 102 S 4.5216 8.0615 115.7789 58.0245 63.2567 174.1509 103 K 4.3571 8.6795 124.6170 56.0505 33.6030 176.4471 104 L 4.5820 7.1199 118.6731 52.1953 44.1568 177.2924 105 I 3.6668 8.2805 122.7685 63.8090 38.3918 176.5472 106 F 4.6487 7.7776 113.2565 57.0877 38.3930 175.8586 107 C 4.1982 7.1706 119.5749 59.1481 40.4012 174.4949 108 G 3.7958 8.8595 110.8673 45.0041 0.0000 174.0825 109 K 4.0912 7.5198 118.9645 56.4628 32.7876 177.0785 110 K 4.3005 8.3872 121.8854 55.0650 33.1472 176.3390 111 K 3.9125 8.4576 121.9758 58.6379 32.2185 177.0276 112 G 4.0242 9.1683 115.2455 45.0633 0.0000 173.6228 113 E 4.2466 7.9371 119.5006 56.6477 30.9411 175.9165 114 H 4.8107 8.7886 119.9540 55.0084 29.7445 174.4481 115 L 4.3459 9.0910 127.7718 53.9031 43.6913 174.7925 116 Y 5.1279 8.3945 122.7184 56.2973 41.2026 174.0674 117 Y 4.8155 9.1135 125.1747 55.7561 42.0304 173.9215 118 E 4.7059 8.9730 125.1069 53.9558 32.9140 175.6772 119 G 3.8329 7.5423 110.8290 45.4920 0.0000 169.5143 120 P 5.1891 0.0000 0.0000 62.3635 32.5274 175.9698 121 I 4.5274 8.2795 121.0233 59.8070 41.1434 174.6356 122 T 4.6935 8.2918 121.9946 61.7471 71.2590 173.2848 123 L 4.4616 8.4591 127.4328 53.0167 42.7743 178.1004 124 G 3.4891 8.0751 114.8615 45.6403 0.0000 173.6715 125 I 4.3367 7.3568 119.3671 58.8601 38.5201 175.7076 126 K 3.8575 8.1003 130.7787 59.0083 32.6220 177.4594 127 E 4.2206 7.8503 129.3963 54.8255 28.9426 178.4618 128 I 3.7485 8.1245 122.7520 58.9580 35.8881 172.7435 129 P 4.3839 0.0000 0.0000 61.9484 31.8921 177.3113 130 Q 4.4840 8.4806 122.4530 55.3629 30.8517 176.6062 131 R 4.2801 8.3714 111.0839 58.1941 27.8257 169.9039 132 D 5.7133 8.7796 114.9941 54.7142 43.0113 175.5520 133 Y 4.9798 8.4421 120.2755 56.4815 42.3436 173.3788 134 T 5.2471 9.2104 116.0614 61.8665 72.2296 173.3615 135 I 5.0368 8.9858 126.4098 60.0523 39.8998 174.5211 136 T 5.1731 8.8465 124.0967 61.8195 70.7671 173.5219 137 A 5.1759 9.0976 127.9264 50.0480 22.3097 174.7432 138 R 4.8970 8.9810 122.2389 54.4871 33.5905 173.7646 139 L 5.2806 9.0595 126.8887 53.4696 44.0102 175.7196 140 T 5.8378 9.2934 112.8894 59.1011 73.1223 172.1997 141 N 6.1184 8.6002 118.9464 50.0795 40.3470 174.5297 142 E 4.2334 9.1748 115.6537 59.3533 29.7398 177.3029 143 D 4.7558 8.9928 118.9328 53.5144 41.0737 177.0506 144 R 3.7330 8.3114 115.7155 56.8095 28.6161 176.1897 145 A 4.2530 7.6055 120.6113 51.7899 19.1204 177.8582 146 T 4.5128 8.3791 118.9284 63.7311 68.9735 174.6112 147 V 4.1165 9.0397 127.6434 64.7851 32.7381 175.6907 148 A 4.6486 7.6228 119.1798 51.2854 22.8630 175.7885 149 C 5.3143 8.4768 117.9639 55.5824 48.1796 172.6107 150 A 5.3041 9.1700 126.8881 50.6342 23.0659 174.3857 151 D 5.0528 8.7229 121.1063 53.0697 42.8877 175.6673 152 F 4.9759 9.6598 124.3335 56.4167 40.7369 175.1452 153 T 4.6249 9.0184 122.3270 62.5549 70.0283 174.2403 154 V 4.5277 8.7882 126.5871 60.8676 34.8127 174.4784 155 K 4.6787 9.0060 126.7324 54.5658 34.9256 174.4889 156 N 4.7442 8.7224 124.9580 51.7503 40.5771 173.4401 157 Y 5.1431 8.4608 123.1768 57.5010 39.4484 176.3956 158 L 4.1748 7.9003 125.4782 55.3284 41.7095 177.0380 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 19 P 0.00 4.45 0.00 2.31 2.69 0.00 3.61 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 1.98 2.01 0.00 20 G 8.03 3.66 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 0.00 0.00 0.00 21 E 8.32 4.25 0.00 1.67 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 1.95 2.17 0.00 22 W 7.40 4.58 0.00 3.33 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 23 P 0.00 4.39 0.00 1.95 1.99 0.00 4.20 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.03 0.00 24 T 8.05 4.29 4.09 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 1.08 0.00 0.00 25 H 8.67 4.69 0.00 1.86 2.94 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.51 4.60 4.31 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 1.19 0.00 0.00 27 V 8.88 4.29 2.34 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 1.02 0.00 0.00 1.46 0.00 0.00 28 C 7.61 4.94 0.00 2.77 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 29 K 8.48 4.72 0.00 1.63 1.66 0.00 1.84 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.48 7.81 30 E 9.31 4.73 0.00 2.09 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 2.12 2.18 0.00 31 E 8.94 3.97 0.00 2.00 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 2.24 1.95 0.00 32 N 8.06 5.29 0.00 2.63 2.95 0.00 0.00 6.42 6.74 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 33 L 8.06 4.87 0.00 1.66 1.37 0.83 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 34 E 9.17 4.99 0.00 1.81 1.56 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 2.16 2.17 0.00 35 I 8.24 4.98 1.76 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.44 0.99 0.00 0.00 36 Y 9.21 5.42 0.00 2.85 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 37 Y 8.58 5.70 0.00 2.15 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 38 K 8.21 4.64 0.00 1.72 1.60 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.51 7.81 39 S 8.87 4.88 0.00 3.76 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.79 4.94 0.00 3.07 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 41 D 8.23 4.77 0.00 2.87 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 42 P 0.00 4.53 0.00 2.27 2.22 0.00 3.92 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 43 Q 8.17 4.29 0.00 2.45 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 44 Q 7.66 4.16 0.00 1.86 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 45 D 6.77 3.93 0.00 1.58 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.48 5.00 0.00 3.11 2.85 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 47 A 9.01 4.89 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 48 F 8.70 5.30 0.00 3.06 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 49 S 8.91 4.81 0.00 3.88 3.56 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 50 I 8.12 4.71 1.87 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 1.48 0.88 0.92 0.00 0.00 51 D 9.05 4.49 0.00 2.57 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 52 R 7.82 4.40 0.00 1.78 1.91 0.00 3.39 0.00 0.00 3.34 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 53 C 9.03 4.17 0.00 3.11 3.05 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 54 S 7.99 4.00 0.00 4.04 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 55 D 8.23 4.45 0.00 2.99 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 56 V 7.70 3.32 1.72 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 0.04 0.00 0.00 0.83 0.00 0.00 57 T 7.57 4.08 4.27 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 1.22 0.00 0.00 58 T 8.20 4.33 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 1.25 0.00 0.00 *59 H 8.36 4.36 0.00 3.06 3.19 0.00 7.14 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.89 5.26 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 1.17 0.00 0.00 61 F 8.24 5.06 0.00 3.09 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 62 D 8.87 5.35 0.00 2.65 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 63 I 8.84 4.81 1.41 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.91 1.01 0.00 0.00 64 R 8.59 5.18 0.00 1.67 1.81 0.00 3.22 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 65 A 9.26 5.38 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 66 A 9.15 4.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.45 4.82 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 68 V 8.04 4.17 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 0.65 0.00 0.00 0.67 0.00 0.00 69 L 8.88 4.21 0.00 1.77 1.54 0.86 0.70 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 70 R 8.71 4.61 0.00 1.72 1.93 0.00 3.38 0.00 0.00 3.20 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 71 Q 7.70 4.65 0.00 1.87 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.90 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 72 S 8.86 4.22 0.00 3.83 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 73 I 7.96 4.53 1.88 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.88 0.92 0.00 0.00 74 K 7.99 3.93 0.00 2.08 2.13 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.46 1.32 7.81 75 E 8.54 4.76 0.00 2.07 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 2.17 2.20 0.00 76 L 8.32 5.01 0.00 1.61 1.32 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 9.28 5.33 0.00 2.84 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 A 9.25 5.20 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 79 K 9.01 4.80 0.00 1.76 1.58 0.00 1.54 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.28 7.81 80 V 8.56 4.66 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.65 0.00 0.00 81 D 9.14 5.40 0.00 2.58 2.51 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 82 L 9.23 5.17 0.00 1.73 1.53 0.77 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 83 I 9.29 5.10 1.95 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 1.27 0.63 0.96 0.00 0.00 84 I 8.52 4.71 1.92 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 1.34 0.79 0.98 0.00 0.00 85 N 9.95 4.06 0.00 2.89 2.91 0.00 0.00 7.22 7.65 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 86 G 8.49 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.68 4.43 0.00 2.09 1.75 0.00 1.57 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.44 7.81 88 T 8.47 4.50 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 89 V 8.37 4.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.02 0.00 0.00 90 L 7.40 4.68 0.00 1.71 1.48 0.96 0.97 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 91 S 8.62 5.22 0.00 3.90 3.66 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 92 Y 8.94 5.11 0.00 3.00 2.97 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 93 S 8.85 5.28 0.00 3.77 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 94 E 9.34 4.81 0.00 2.21 1.81 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 2.22 2.33 0.00 95 T 8.62 4.63 4.27 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 1.09 0.00 0.00 96 L 8.99 4.34 0.00 1.54 1.55 0.87 0.52 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 97 C 7.55 5.01 0.00 2.74 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 98 G 8.23 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.41 0.00 2.05 2.02 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 100 G 8.98 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.13 4.72 0.00 1.52 1.57 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.06 4.52 0.00 3.79 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 0.00 103 K 8.68 4.36 0.00 1.69 1.74 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.47 7.81 104 L 7.12 4.58 0.00 0.78 0.53 0.33 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.28 3.67 1.87 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 0.65 0.99 0.00 0.00 106 F 7.78 4.65 0.00 3.26 3.40 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 0.00 107 C 7.17 4.20 0.00 2.96 3.02 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 0.00 108 G 8.86 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 0.00 0.00 0.00 109 K 7.52 4.09 0.00 1.86 1.79 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.93 1.61 7.81 110 K 8.39 4.30 0.00 1.80 1.73 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.38 7.81 111 K 8.46 3.91 0.00 1.71 1.75 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.43 1.47 7.81 112 G 9.17 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 0.00 113 E 7.94 4.25 0.00 1.97 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 2.50 2.46 0.00 114 H 8.79 4.81 0.00 3.14 3.18 0.00 5.71 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 9.09 4.35 0.00 1.35 1.36 0.53 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 8.39 5.13 0.00 2.87 2.86 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 0.00 117 Y 9.11 4.82 0.00 3.09 2.83 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 0.00 118 E 8.97 4.71 0.00 1.63 1.65 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 2.14 2.22 0.00 119 G 7.54 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 0.00 0.00 0.00 120 P 0.00 5.19 0.00 2.06 2.04 0.00 3.35 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.84 0.00 121 I 8.28 4.53 1.12 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 1.17 1.04 0.51 0.00 0.00 122 T 8.29 4.69 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 1.16 0.00 0.00 123 L 8.46 4.46 0.00 1.69 1.77 1.14 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.08 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.36 4.34 1.90 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 1.43 0.87 0.88 0.00 0.00 126 K 8.10 3.86 0.00 1.69 1.68 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.42 7.81 127 E 7.85 4.22 0.00 2.03 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 2.21 1.87 0.00 128 I 8.12 3.75 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 1.41 1.10 0.91 0.00 0.00 129 P 0.00 4.38 0.00 1.28 1.74 0.00 3.21 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.71 0.00 130 Q 8.48 4.48 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 5.81 0.00 0.00 0.00 0.00 0.00 2.25 1.91 0.00 131 R 8.37 4.28 0.00 1.91 1.95 0.00 3.20 0.00 0.00 3.17 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 132 D 8.78 5.71 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 8.44 4.98 0.00 3.22 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 0.00 134 T 9.21 5.25 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 1.33 0.00 0.00 135 I 8.99 5.04 2.09 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.39 1.01 0.00 0.00 136 T 8.85 5.17 4.27 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 1.31 0.00 0.00 137 A 9.10 5.18 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 0.00 138 R 8.98 4.90 0.00 1.84 1.72 0.00 3.08 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 139 L 9.06 5.28 0.00 1.63 1.53 0.84 0.40 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 T 9.29 5.84 4.31 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 1.23 0.00 0.00 141 N 8.60 6.12 0.00 2.98 3.03 0.00 0.00 6.47 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 0.00 142 E 9.17 4.23 0.00 2.16 2.22 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 2.32 2.33 0.00 143 D 8.99 4.76 0.00 2.83 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 0.00 144 R 8.31 3.73 0.00 2.20 2.00 0.00 3.27 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.43 0.00 145 A 7.61 4.25 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 T 8.38 4.51 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 1.27 0.00 0.00 147 V 9.04 4.12 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 0.68 0.00 0.00 0.98 0.00 0.00 148 A 7.62 4.65 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 C 8.48 5.31 0.00 2.99 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 0.00 150 A 9.17 5.30 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 D 8.72 5.05 0.00 2.61 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 0.00 152 F 9.66 4.98 0.00 3.08 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 0.00 153 T 9.02 4.62 4.43 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 1.25 0.00 0.00 154 V 8.79 4.53 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.77 0.00 0.00 155 K 9.01 4.68 0.00 1.40 1.18 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.33 7.81 156 N 8.72 4.74 0.00 2.75 2.75 0.00 0.00 6.80 6.87 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 0.00 157 Y 8.46 5.14 0.00 2.99 2.81 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 0.00 158 L 7.90 4.17 0.00 1.74 1.62 0.90 1.25 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.