NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 H 4.6599 8.3033 116.3461 55.7511 30.2321 174.8776 *15 T 4.1348 8.0142 118.6978 63.7778 70.1887 174.2868 16 R 4.5655 7.1230 119.9999 54.2979 31.7913 176.0080 17 E 4.3910 8.4671 124.3105 55.7800 31.0319 175.8524 *19 R 4.5467 8.3268 122.4450 56.4216 31.6726 173.9562 20 I 5.1474 8.9241 126.6635 59.5088 40.8522 174.3126 21 L 5.1328 8.6264 125.7043 53.1057 44.5895 175.4892 22 I 4.6106 8.7337 124.6759 59.7992 38.9985 174.7773 23 L 4.5069 9.3798 126.4774 52.2901 46.1950 175.3452 24 G 4.2931 7.8868 104.4221 43.5864 0.0000 173.2180 25 L 4.4103 8.0109 120.8753 53.9388 42.3114 176.7610 26 D 4.5125 8.5157 120.3078 55.3272 38.3860 177.4219 27 G 3.9382 8.9845 108.8621 45.5912 0.0000 175.1628 28 A 4.0495 7.6152 122.0611 54.2348 18.6325 178.4062 29 G 4.2322 7.6915 101.8247 45.8302 0.0000 175.9913 30 K 3.8601 8.4746 121.0866 59.7741 32.1709 179.3230 31 T 4.1246 7.7622 116.6824 66.3066 68.4436 176.8898 32 T 3.9980 7.9172 117.3024 66.6159 68.5006 176.5287 33 I 3.7378 8.0226 121.9078 64.2540 37.1920 177.9542 34 L 3.7684 7.8853 121.0931 58.6696 41.8123 178.6944 35 Y 4.3091 7.7496 115.4955 60.3687 37.8079 177.9648 36 R 4.1962 8.1526 121.5627 58.7154 29.9236 178.5347 37 L 4.0614 7.9648 118.3295 57.7116 41.7026 179.0338 38 Q 4.1592 8.0660 118.3194 58.8157 29.2334 177.6718 39 V 4.3749 8.1075 110.8844 60.3646 32.1058 177.3979 40 G 3.9414 8.1638 106.5018 45.6811 0.0000 173.1521 41 E 4.7678 7.5358 118.4975 53.9682 33.6505 174.8401 42 V 3.8970 8.2606 120.2050 62.7522 32.1624 175.6960 43 V 4.5199 8.0273 119.2126 59.3864 34.7283 175.4304 44 T 4.1874 8.1738 118.3024 63.7144 68.9793 174.4000 45 T 4.7438 8.1854 114.0286 59.7439 71.9835 172.7785 46 I 4.5266 7.9063 114.8014 57.7882 40.3769 173.4368 47 P 4.0809 0.0000 0.0000 63.5518 31.3573 176.6169 48 T 4.1914 8.6057 120.4398 63.3910 67.7707 173.6828 49 I 4.6035 9.5734 129.3477 58.1684 37.3380 175.2393 50 G 4.2517 7.0297 119.9139 43.8556 0.0000 171.9389 51 F 5.3928 7.7035 120.2921 55.7185 40.7976 172.2007 52 N 5.2574 9.4059 117.4539 51.3906 41.4895 174.0346 53 V 4.7057 8.4824 122.2197 59.9117 33.8924 174.6990 54 E 4.7491 8.5461 122.4766 54.7355 34.3352 174.5488 55 T 4.7417 8.4507 118.8104 62.9153 69.5869 174.3327 56 V 4.4973 8.7943 126.6929 61.3438 34.4989 174.1894 57 T 5.1303 8.6136 123.7316 62.0738 70.4240 173.3724 58 Y 4.5841 8.8002 127.1010 57.0016 41.8564 175.0908 59 K 3.5593 8.5986 126.6931 58.0702 29.8268 174.5255 60 N 4.1850 8.1139 109.3873 54.0556 36.7814 174.4385 61 L 4.4929 7.6960 117.5929 53.2047 43.3707 175.3623 62 K 5.0093 7.8915 120.0354 54.7403 34.7684 175.1803 63 F 5.0396 8.9700 123.1155 55.6105 42.6721 174.2142 64 Q 4.4903 8.9531 125.0101 55.5914 30.1000 174.1740 65 V 4.7649 8.3808 127.8972 61.0705 33.8199 174.3163 66 W 4.9510 9.3737 128.7970 55.1395 30.8887 174.6612 67 D 5.0831 9.2713 126.7851 53.0345 41.7257 174.8687 68 L 4.8155 8.0181 126.4716 52.7112 43.2581 177.2482 69 G 4.0603 8.2861 111.1444 46.2194 0.0000 173.5843 70 G 4.4682 8.7585 110.5226 43.9261 0.0000 173.5365 71 L 4.0190 7.8383 122.2739 55.3258 42.6785 177.6988 72 T 3.7349 8.7326 122.0530 66.8558 68.4837 176.6208 73 S 4.0179 7.9286 113.7979 60.0556 63.3780 174.5618 74 I 3.4064 7.3389 113.4780 60.2128 38.1229 177.6541 75 R 2.5309 7.2078 121.9894 58.4270 29.8367 177.0613 76 P 4.1700 0.0000 0.0000 65.0773 31.6648 176.6682 77 Y 4.6801 7.2003 114.9624 59.0874 38.6345 177.4258 78 W 4.6003 8.1749 121.2512 60.0625 29.2566 178.4199 79 R 2.0000 7.8343 114.9069 58.4732 28.6236 178.3764 80 C 4.0209 7.7373 116.5193 62.0251 28.0534 174.4048 81 Y 4.1559 7.4646 115.9341 58.0669 37.6044 176.6728 82 Y 4.5570 7.7684 119.1620 59.3451 38.0671 175.9516 83 S 4.4217 7.7169 115.9625 60.0801 63.3229 173.6809 84 N 4.2124 8.6774 121.2951 54.5868 35.8360 174.2583 85 T 4.3903 7.4386 113.8964 62.9726 69.6279 175.1630 86 D 4.7133 9.0146 126.7501 56.9514 42.4065 176.3812 87 A 4.9765 7.7601 117.5265 50.7412 22.8782 175.2341 88 V 4.6443 8.5510 121.1644 61.1718 34.1725 174.6292 89 I 4.3445 8.5310 129.7000 60.3388 38.3840 174.2564 90 Y 4.8480 8.8657 130.6634 56.0756 39.8534 174.3288 91 V 4.5642 8.1368 128.2397 61.5082 33.5523 174.7446 92 V 4.4671 8.5269 127.1888 60.8494 35.1338 173.7520 93 D 4.8184 8.6801 127.6051 54.0787 41.4133 176.9065 94 S 4.3456 9.1551 123.2722 60.6146 63.0064 175.4836 95 C 4.5858 8.3548 116.8752 59.6845 28.5637 174.1911 96 D 4.6653 7.7383 121.3581 52.7197 39.2483 176.6268 97 R 4.1829 8.1154 122.8313 58.6370 30.7322 178.1622 98 D 4.4766 8.1693 116.7782 56.6323 41.1646 177.1965 99 R 4.5804 7.9118 115.7724 55.7371 30.9005 177.4578 100 I 3.8129 7.5078 121.6158 64.1715 37.8043 178.2241 101 G 3.5964 8.0657 106.1892 47.7365 0.0000 175.6649 102 I 3.7968 7.7054 121.6226 64.2588 37.2431 178.3633 103 S 4.3376 8.2685 116.1025 61.4674 62.5824 176.6027 104 K 3.9025 8.3551 122.6027 59.7477 32.0265 179.0879 105 S 4.1269 8.2101 114.3438 61.3791 62.6909 176.2180 106 E 4.0431 8.2392 121.6916 58.9275 29.2671 178.6823 107 L 3.7244 7.7807 119.6165 58.0156 42.2321 178.7027 108 V 3.7036 7.7374 116.8056 65.9575 31.4093 178.4413 109 A 4.0654 7.7775 116.4378 53.0431 17.8051 178.7555 *111 L 4.1766 7.8129 119.5052 55.7376 43.5254 177.9088 112 E 4.1660 7.8023 117.3848 58.0575 30.0862 177.1059 113 E 4.1879 8.0272 119.8345 55.9194 30.3334 177.5066 114 E 4.0117 8.9167 124.5412 59.1186 30.0907 178.4686 115 E 4.0317 8.3329 117.3542 58.9642 29.7468 177.4886 116 L 4.4258 7.7394 116.7451 54.3458 42.0989 178.2521 117 R 3.8971 7.8197 119.6684 59.3973 30.0046 178.0027 118 K 4.1703 7.8925 113.6343 57.3617 32.6651 176.8648 119 A 4.5194 7.7088 121.5838 51.7802 19.2162 177.3801 120 I 4.3394 8.3799 121.9156 60.4146 39.5915 174.5563 121 L 5.2123 8.9963 127.0043 53.3544 44.6574 175.1318 122 V 4.9565 8.9355 126.2782 61.2357 34.4230 174.0520 123 V 4.7416 9.0347 128.9100 61.7431 33.4037 174.5834 124 F 5.2202 9.2524 127.7563 56.1811 40.0826 175.2122 125 A 4.7271 8.9553 127.7669 51.7883 17.4469 176.1458 126 N 5.1861 9.3233 120.8706 52.2232 41.5037 174.2051 127 K 4.2366 8.4004 116.9907 57.4601 29.1148 177.2296 128 Q 4.1717 8.1310 117.9772 57.4896 29.2433 177.2239 129 D 4.6119 7.7211 119.8709 53.1557 37.8019 176.8373 *131 E 4.2663 7.8821 119.5442 57.2133 31.8329 177.4671 132 Q 4.4880 7.9579 114.4297 55.7390 29.4816 178.0082 133 A 4.7024 7.8250 122.5264 51.3555 18.3083 177.7551 *135 T 4.1286 8.1637 105.5588 61.8642 70.0613 173.9943 136 S 4.1928 8.8888 117.5896 61.8572 62.7064 175.8973 137 S 4.2159 8.1394 114.0452 61.3945 62.4967 176.3018 138 E 3.8591 8.0903 117.9746 56.7423 28.9826 178.0987 *140 A 4.1585 8.1642 121.4628 51.8021 20.8076 179.6547 141 N 4.3214 8.1815 113.1159 56.6086 38.7898 177.9404 142 S 4.1461 7.9117 113.2568 61.3781 62.9191 175.4628 143 L 4.0760 7.7875 117.6786 55.0342 42.1144 177.5759 144 G 3.8142 7.9130 106.9325 45.8761 0.0000 175.4871 145 L 3.1934 7.5716 122.1849 56.8463 41.4635 178.1534 146 P 4.4220 0.0000 0.0000 65.2718 31.3376 177.2685 147 A 4.1578 7.5794 119.1171 53.7466 18.8813 178.1345 148 L 4.3444 7.7594 119.2443 52.4389 40.3006 177.0124 149 K 3.8621 8.1248 122.9620 59.6371 32.4501 176.8951 150 D 4.7368 8.0662 114.0272 54.0663 41.2667 175.8242 151 R 4.5988 7.6007 120.4168 53.9828 32.2349 174.8173 152 K 4.5233 8.7038 127.0064 55.9519 33.1194 175.3765 153 W 6.3000 8.3873 123.3231 55.0611 31.4779 173.7589 154 Q 3.9545 8.4173 120.3372 54.6679 32.0033 172.5146 155 I 4.9824 8.0270 124.5959 59.2549 40.4378 174.7594 156 F 4.7999 9.0264 126.6615 55.2896 43.2809 174.3315 157 K 4.7702 8.7260 122.9390 56.7519 32.9278 176.1433 158 T 5.0856 8.9580 114.5204 59.9943 73.1400 172.9457 159 S 4.7352 8.7279 116.3001 56.6600 64.7975 174.6571 160 A 4.0883 8.7385 131.9429 55.3373 18.5750 178.7541 161 T 4.0109 7.9996 105.2460 64.4029 69.0140 175.3448 162 K 4.1341 8.0469 120.7496 55.6978 32.8617 177.3188 163 G 4.0172 8.3202 107.2092 46.0248 0.0000 173.8575 164 T 3.9710 7.4849 110.5349 62.6917 69.5434 175.8474 165 G 4.2960 8.7205 110.9278 47.1825 0.0000 175.7394 166 L 3.5576 7.1950 118.0123 57.7799 41.5885 178.5674 167 D 4.4960 7.8585 116.5011 57.1683 41.5367 177.4265 168 E 4.0712 7.9659 119.3145 58.8959 29.7102 178.7899 169 A 2.0000 7.0598 117.2837 52.1920 17.9232 178.5530 *171 E 4.3369 8.1071 123.2275 57.4525 31.6335 177.8166 172 W 4.1093 8.1759 128.0532 60.3006 30.6014 177.6314 173 L 3.8624 8.1987 120.3579 58.2331 41.5602 179.2340 174 V 3.6583 7.7054 117.6193 66.0126 31.5631 177.6392 175 E 3.9144 8.2821 118.4372 59.6889 29.0492 179.5540 176 T 3.5370 7.4166 114.9126 66.3989 68.7830 176.3940 177 L 4.1147 7.9703 121.1386 57.8981 41.4423 179.8570 178 K 4.1016 7.8426 117.4485 58.9463 32.0518 178.6783 179 S 4.3861 7.4739 111.7391 58.0097 63.7944 174.8113 180 R 3.9939 7.2321 122.3877 56.0869 30.4856 176.6094 181 Q 4.1465 8.6554 118.5169 56.6720 28.3768 176.3448 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 13 H 8.30 4.66 0.00 3.36 3.57 0.00 5.47 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *15 T 8.01 4.13 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 16 R 7.12 4.57 0.00 1.76 1.94 0.00 3.45 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 17 E 8.47 4.39 0.00 1.99 1.84 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 2.32 2.13 0.00 *19 R 8.33 4.55 0.00 2.10 2.05 0.00 3.37 0.00 0.00 3.56 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.99 0.00 20 I 8.92 5.15 1.82 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.64 0.75 0.00 0.00 21 L 8.63 5.13 0.00 1.50 1.43 1.08 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.73 4.61 1.74 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.90 0.72 0.00 0.00 23 L 9.38 4.51 0.00 1.35 0.30 0.74 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.89 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 0.00 0.00 0.00 0.00 25 L 8.01 4.41 0.00 1.74 1.64 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.52 4.51 0.00 2.81 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 27 G 8.98 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.62 4.05 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 29 G 7.69 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 0.00 0.00 0.00 0.00 30 K 8.47 3.86 0.00 1.79 1.88 0.00 1.70 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.40 1.47 7.81 31 T 7.76 4.12 4.32 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 1.50 0.00 0.00 32 T 7.92 4.00 4.40 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 1.26 0.00 0.00 33 I 8.02 3.74 2.02 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 1.56 0.74 1.05 0.00 0.00 34 L 7.89 3.77 0.00 1.54 1.55 0.68 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 7.75 4.31 0.00 3.15 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 36 R 8.15 4.20 0.00 2.00 2.15 0.00 3.21 0.00 0.00 3.38 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 37 L 7.96 4.06 0.00 1.84 1.75 0.89 0.82 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 38 Q 8.07 4.16 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.62 0.00 39 V 8.11 4.37 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 0.91 0.00 0.00 1.07 0.00 0.00 40 G 8.16 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.54 4.77 0.00 2.07 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 2.23 2.23 0.00 42 V 8.26 3.90 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 0.82 0.00 0.00 0.95 0.00 0.00 43 V 8.03 4.52 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 0.76 0.00 0.00 0.85 0.00 0.00 44 T 8.17 4.19 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 45 T 8.19 4.74 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 1.32 0.00 0.00 46 I 7.91 4.53 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.75 0.91 0.00 0.00 47 P 0.00 4.08 0.00 2.08 2.10 0.00 3.68 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 2.05 2.15 0.00 48 T 8.61 4.19 4.32 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 1.28 0.00 0.00 49 I 9.57 4.60 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.75 0.98 0.00 0.00 50 G 7.03 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 7.70 5.39 0.00 3.23 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 52 N 9.41 5.26 0.00 2.68 2.80 0.00 0.00 6.87 8.08 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 53 V 8.48 4.71 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 0.00 0.00 0.53 0.00 0.00 -0.21 0.00 0.00 54 E 8.55 4.75 0.00 1.75 1.78 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 2.07 2.12 0.00 55 T 8.45 4.74 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 1.22 0.00 0.00 56 V 8.79 4.50 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 1.17 0.00 0.00 0.91 0.00 0.00 57 T 8.61 5.13 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 1.21 0.00 0.00 58 Y 8.80 4.58 0.00 3.17 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 59 K 8.60 3.56 0.00 1.79 1.72 0.00 2.02 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.00 0.50 7.81 60 N 8.11 4.19 0.00 2.77 2.83 0.00 0.00 7.12 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 61 L 7.70 4.49 0.00 1.63 1.09 0.97 0.64 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 62 K 7.89 5.01 0.00 1.53 1.63 0.00 1.59 0.00 0.00 1.80 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.31 7.81 63 F 8.97 5.04 0.00 2.97 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 64 Q 8.95 4.49 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 65 V 8.38 4.76 2.01 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 0.83 0.00 0.00 0.95 0.00 0.00 66 W 9.37 4.95 0.00 3.16 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 9.27 5.08 0.00 2.68 2.63 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 0.00 0.00 0.00 0.00 68 L 8.02 4.82 0.00 1.25 1.57 0.42 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.29 4.06 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 0.00 0.00 0.00 70 G 8.76 4.47 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 0.00 71 L 7.84 4.02 0.00 1.68 1.55 0.91 0.83 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 72 T 8.73 3.73 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 1.11 0.00 0.00 73 S 7.93 4.02 0.00 3.91 3.93 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 74 I 7.34 3.41 1.98 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.97 1.01 0.00 0.00 75 R 7.21 2.53 0.00 1.49 1.04 0.00 2.88 0.00 0.00 2.60 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.40 0.00 76 P 0.00 4.17 0.00 1.72 2.01 0.00 3.08 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.88 0.00 77 Y 7.20 4.68 0.00 3.23 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 78 W 8.17 4.60 0.00 3.43 3.24 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 0.00 79 R 7.83 2.00 0.00 1.76 1.96 0.00 2.96 0.00 0.00 3.32 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.60 0.00 80 C 7.74 4.02 0.00 2.76 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 81 Y 7.46 4.16 0.00 2.83 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 Y 7.77 4.56 0.00 2.98 2.91 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 83 S 7.72 4.42 0.00 3.80 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 84 N 8.68 4.21 0.00 2.89 2.93 0.00 0.00 7.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.44 4.39 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 1.20 0.00 0.00 86 D 9.01 4.71 0.00 2.87 2.78 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 87 A 7.76 4.98 1.17 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 0.00 0.00 88 V 8.55 4.64 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 0.96 0.00 0.00 0.75 0.00 0.00 89 I 8.53 4.34 1.48 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.20 -0.47 0.00 0.00 90 Y 8.87 4.85 0.00 2.92 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 91 V 8.14 4.56 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 0.88 0.00 0.00 0.74 0.00 0.00 92 V 8.53 4.47 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 0.97 0.00 0.00 0.89 0.00 0.00 93 D 8.68 4.82 0.00 2.76 2.55 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 0.00 0.00 0.00 0.00 94 S 9.16 4.35 0.00 4.04 3.89 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 0.00 0.00 0.00 95 C 8.35 4.59 0.00 3.08 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 96 D 7.74 4.67 0.00 2.71 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 97 R 8.12 4.18 0.00 1.84 1.98 0.00 3.27 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 98 D 8.17 4.48 0.00 2.80 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 99 R 7.91 4.58 0.00 1.80 1.90 0.00 3.09 0.00 0.00 3.48 7.30 0.00 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0.00 0.00 0.00 0.00 0.00 145 L 7.57 3.19 0.00 0.79 0.13 0.66 0.64 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 0.00 146 P 0.00 4.42 0.00 2.06 2.22 0.00 3.49 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 147 A 7.58 4.16 1.30 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 0.00 0.00 148 L 7.76 4.34 0.00 1.58 1.61 0.56 0.69 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 0.00 149 K 8.12 3.86 0.00 1.75 1.91 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.54 7.81 150 D 8.07 4.74 0.00 2.71 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 0.00 151 R 7.60 4.60 0.00 1.72 2.08 0.00 3.35 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 152 K 8.70 4.52 0.00 2.00 1.78 0.00 1.76 0.00 0.00 1.92 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.71 7.81 153 W 8.39 6.30 0.00 3.43 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 0.00 154 Q 8.42 3.95 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 155 I 8.03 4.98 2.01 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 1.22 1.25 0.91 0.00 0.00 156 F 9.03 4.80 0.00 2.79 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 0.00 157 K 8.73 4.77 0.00 1.72 1.74 0.00 1.67 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.43 7.81 158 T 8.96 5.09 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 0.59 0.00 0.00 159 S 8.73 4.74 0.00 3.87 3.69 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 0.00 0.00 0.00 0.00 160 A 8.74 4.09 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 0.00 161 T 8.00 4.01 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 1.23 0.00 0.00 162 K 8.05 4.13 0.00 1.75 1.85 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.37 7.81 163 G 8.32 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 0.00 164 T 7.48 3.97 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 1.20 0.00 0.00 165 G 8.72 4.30 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 0.00 0.00 0.00 166 L 7.19 3.56 0.00 1.62 1.65 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 167 D 7.86 4.50 0.00 2.71 2.71 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 0.00 168 E 7.97 4.07 0.00 2.03 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 2.42 2.43 0.00 169 A 7.06 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 *171 E 8.11 4.34 0.00 2.30 2.21 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 2.35 2.40 0.00 172 W 8.18 4.11 0.00 3.57 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 0.00 173 L 8.20 3.86 0.00 1.99 1.62 0.95 0.68 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 0.00 174 V 7.71 3.66 2.23 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 1.12 0.00 0.00 1.25 0.00 0.00 175 E 8.28 3.91 0.00 1.85 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 2.54 2.50 0.00 176 T 7.42 3.54 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 0.76 0.00 0.00 177 L 7.97 4.11 0.00 1.84 1.76 1.08 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 178 K 7.84 4.10 0.00 1.91 1.87 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.65 7.81 179 S 7.47 4.39 0.00 3.95 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 0.00 180 R 7.23 3.99 0.00 1.99 1.89 0.00 3.18 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 181 Q 8.66 4.15 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.