NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 E 4.2298 8.4449 116.7549 55.0901 30.6526 174.6715 *19 P 4.3005 0.0000 0.0000 61.5789 34.1728 176.6203 20 Q 4.0467 8.6242 120.1624 59.3709 28.6725 179.3990 21 E 4.0007 8.1507 118.8868 59.6304 29.5635 179.3122 22 Q 4.0399 8.0342 117.5298 58.9345 28.8443 178.5231 23 Q 4.0189 8.2455 119.1780 58.9700 28.7366 178.7620 24 L 4.1006 8.2248 121.1168 58.0073 41.9159 178.7651 25 A 3.9942 7.8917 119.9349 55.1732 18.3947 179.4499 26 V 3.7193 7.7780 115.6325 66.0908 31.9122 177.9813 27 K 4.1948 8.1619 118.2470 59.6105 31.8189 178.9015 28 Y 3.0507 7.7659 115.3783 58.6349 38.2553 177.1236 *30 D 4.4737 8.0380 119.6781 54.0519 43.0802 177.7612 31 A 3.9722 7.8880 121.8206 55.0394 18.9554 179.4564 32 L 3.8387 8.0765 118.2384 58.4409 42.1862 179.3667 33 T 4.3559 7.7862 106.5115 64.1159 68.9813 174.9318 34 E 4.2021 8.1560 120.3548 56.5767 30.0822 175.7182 35 H 3.6532 7.6389 115.1154 56.7176 26.8166 176.7010 36 D 4.4961 7.8271 119.2186 53.6565 39.3652 174.5082 37 Y 4.4973 7.7502 122.5248 60.0835 38.0885 177.1204 38 K 3.9919 8.0785 119.8348 59.7847 32.7736 178.5878 39 T 4.0992 7.9088 115.3298 66.5714 68.4190 176.5940 40 L 4.1300 8.4287 122.7417 58.3246 42.1359 178.8828 41 I 3.8658 8.2544 118.8399 64.0317 37.6804 177.6766 42 T 3.9960 7.7400 109.2825 63.7732 68.8393 174.9993 43 F 4.6830 8.1746 119.3633 57.3897 39.6130 174.7196 44 Y 5.4375 7.7829 118.4107 56.0702 40.8623 174.5240 45 N 5.3320 8.6453 119.9934 50.8804 40.1641 174.9604 46 R 4.1665 8.6148 113.1441 58.6031 29.6399 176.7569 47 D 4.6653 8.2252 117.4580 54.8329 41.6830 176.8563 48 S 4.5247 8.2320 117.5658 58.8028 64.0798 173.1672 49 I 4.8213 8.7627 125.5930 59.5533 39.5147 174.2156 50 F 5.1383 9.4172 130.3830 56.4986 41.3276 174.0844 51 F 5.1797 8.7050 128.9388 56.5719 42.2953 173.4185 52 D 4.6116 8.9289 128.1517 52.8303 40.4285 176.9359 53 K 2.8923 8.1098 126.7464 58.7865 32.3920 180.1590 54 T 3.8116 7.8434 107.9107 64.0781 68.8577 174.9194 55 A 4.1911 8.5479 122.9142 51.3916 19.6239 175.9852 56 N 4.2684 7.3220 113.6285 54.9330 38.0894 174.0900 57 R 4.6261 8.1290 115.3376 54.0981 33.6494 175.9497 58 K 5.0357 8.2580 124.1936 54.7307 35.2669 174.6143 59 Y 4.7740 9.0685 123.7006 56.4848 41.9407 174.4452 60 T 4.9779 8.9124 119.6167 63.0227 71.8078 174.5139 61 G 4.0334 9.6830 114.3479 45.6131 0.0000 174.1749 62 G 3.8418 9.0560 109.5796 47.9500 0.0000 175.6872 63 R 3.6499 7.8628 120.7295 59.2249 29.9668 178.3382 64 F 4.3230 7.6367 116.5510 60.0413 39.1153 177.9703 65 I 3.6283 7.8518 119.7470 64.4324 36.8730 178.5435 66 I 3.4854 7.8259 120.8624 64.0911 36.8768 177.8508 67 D 4.1591 7.9155 118.9624 57.2368 41.0070 178.1833 68 F 3.8258 7.8880 120.8908 61.1848 39.2602 176.9804 69 L 3.0347 7.3550 118.3947 57.5702 41.1336 179.3887 70 E 3.9725 7.7880 117.3491 59.3796 29.2104 179.5120 71 R 3.9432 7.7159 117.6158 59.2365 30.0019 178.8746 72 A 3.8022 7.7254 119.3573 54.4750 18.4423 177.9786 73 H 4.9824 7.7010 112.7942 55.3791 29.3521 173.8439 74 Q 4.0745 7.5391 120.8464 57.7823 29.0182 176.7300 75 G 3.9349 8.9529 112.3479 45.8831 0.0000 173.7051 76 V 3.4238 7.4304 118.5648 62.2561 31.5978 175.9786 77 L 4.3158 8.3486 122.9631 56.6898 42.7612 176.9192 78 E 4.6942 7.4408 117.9498 55.0256 33.3193 173.4799 79 Y 5.5514 8.3758 126.5918 56.8205 41.9138 173.3438 80 D 4.6392 9.1401 125.1690 52.8789 46.2723 174.1655 81 F 4.8281 8.5435 123.8231 56.7321 40.9128 174.9638 82 N 4.4677 8.7383 126.2740 51.8489 39.3490 174.7052 83 I 3.5971 7.6608 125.7025 60.9000 37.1822 176.0745 84 E 4.2477 8.8849 127.7434 58.7859 30.4427 175.6084 85 H 4.7991 7.7427 116.5758 55.2736 33.5745 171.6479 *87 Y 4.7464 8.2553 118.4339 57.0030 39.5606 173.6062 88 N 5.2273 8.6932 114.8997 51.2667 40.4191 174.1719 89 A 4.5752 8.8392 123.6431 50.8404 20.6892 177.2652 90 G 3.7267 8.2149 114.3724 48.2717 0.0000 173.3286 91 S 4.3621 8.6500 120.5568 58.5309 62.9307 172.3966 92 L 4.8747 7.9908 124.9808 53.7360 43.2218 175.1275 93 V 4.6248 8.6929 127.3607 61.2164 33.8311 174.8207 94 V 4.4123 8.1372 127.3230 60.7757 34.8547 174.2364 *96 I 4.0756 8.0916 121.1202 61.4743 38.3749 174.9731 97 G 3.8725 8.7133 114.2614 46.3671 0.0000 171.4176 98 N 5.6102 8.2107 120.3263 52.4484 43.0496 174.0395 99 Y 5.0282 9.3276 124.4989 57.2753 39.9483 173.8444 100 H 5.5266 9.3577 125.5831 54.6801 31.9032 173.2445 101 F 5.3798 9.3204 127.9532 56.2516 42.6981 173.2070 102 K 4.6769 8.0119 127.2997 54.7381 35.0544 175.2679 103 G 3.9500 8.1361 113.0533 45.2572 0.0000 170.5707 104 P 4.7922 0.0000 0.0000 63.0844 31.7664 177.1191 105 G 4.1069 8.8730 109.7966 45.9670 0.0000 175.5041 106 E 4.0004 8.5735 120.6505 59.6788 29.4655 179.3932 107 Q 4.0300 8.0621 113.7087 58.2426 28.9668 176.4341 108 F 4.4389 8.2724 116.3425 57.2422 38.9781 175.9623 109 G 3.9505 8.1891 107.8598 46.1778 0.0000 175.0397 110 K 4.7022 8.3391 116.8981 53.5761 32.4067 174.4644 111 P 4.4044 0.0000 0.0000 64.1500 32.1329 177.7861 112 G 3.9401 9.7328 108.7623 45.7200 0.0000 173.1691 113 K 4.7473 7.6545 118.6972 54.4189 36.1374 174.9931 114 I 4.8429 8.2522 122.9709 60.1255 38.3700 175.7016 115 I 4.5171 8.5478 121.1846 59.8830 40.4044 174.6560 116 D 4.7992 8.8714 122.6867 53.3394 43.5812 174.7177 117 V 4.8480 9.2480 119.2384 59.5363 36.2328 175.1839 118 A 5.1455 9.4913 124.7110 50.6444 21.3047 175.5250 119 I 4.4754 8.9166 123.7168 59.5170 39.6311 174.2023 120 P 4.8802 0.0000 0.0000 63.3745 32.4919 175.2339 121 A 5.0717 8.8948 122.5816 51.2544 23.4435 175.1921 122 V 4.7494 8.7389 119.5067 61.3769 34.5953 174.5683 123 T 5.2109 8.7658 123.6613 61.7243 71.3503 173.2746 124 S 5.0314 9.0965 121.1003 56.4194 66.2673 172.9435 125 L 5.1345 8.8075 122.0968 52.8659 45.0562 175.1759 126 K 4.7710 9.0935 125.8254 55.1171 33.5701 174.9801 127 L 5.1259 8.7034 128.0088 53.2709 44.0347 175.7706 128 D 4.6181 8.9613 122.5061 53.2707 43.4895 177.1371 *130 L 4.2332 8.4468 119.9468 54.9875 43.2032 178.3076 131 N 4.4925 8.3847 112.1936 53.0180 39.4670 175.2324 132 R 3.7826 7.7840 117.3120 57.6386 27.8359 175.1107 133 R 4.9981 8.0805 117.0573 54.5102 34.2426 175.1627 134 V 4.5474 8.8962 126.0977 62.2113 31.6787 175.5992 135 T 4.3994 8.9918 119.6296 63.5576 70.7213 174.6447 136 E 5.0953 8.0155 122.7390 54.7802 33.4895 173.2545 137 H 5.2987 9.6694 127.4003 54.5214 32.6039 172.2861 138 V 4.7260 8.8785 126.6978 61.1743 34.1876 173.7303 139 D 5.2246 8.6531 127.9656 52.6393 43.4633 175.4856 140 L 4.4669 9.0585 123.5588 53.1363 43.7994 174.9478 141 I 4.4108 8.5366 125.0578 59.2701 39.1016 176.7328 142 D 4.5928 8.4561 127.4171 53.0657 39.4595 175.4083 143 Y 4.3643 7.8495 120.6925 60.3768 38.8446 177.5767 144 Q 4.1994 8.3210 120.7998 59.5096 29.5343 178.9294 145 T 4.4316 8.0616 112.9443 64.0147 67.9395 176.3917 *147 S 4.5152 8.2145 119.7363 58.8599 64.9157 176.0754 148 D 4.4156 8.4023 119.2804 57.5243 40.5510 178.6402 149 Q 4.1702 8.0237 117.3857 59.0445 28.8398 178.5317 150 L 4.1821 7.9591 118.0831 57.1906 41.9484 179.7988 151 A 4.2361 7.8147 122.2443 51.6553 18.1827 177.3525 *153 Q 4.0692 8.1415 126.0379 57.6119 29.2849 175.7050 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 17 E 8.44 4.23 0.00 2.01 1.86 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 2.13 1.91 0.00 *19 P 0.00 4.30 0.00 2.19 2.05 0.00 3.60 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 20 Q 8.62 4.05 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 21 E 8.15 4.00 0.00 2.06 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 0.00 2.54 2.48 0.00 22 Q 8.03 4.04 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 23 Q 8.25 4.02 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 24 L 8.22 4.10 0.00 1.95 1.87 1.17 0.96 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 25 A 7.89 3.99 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 26 V 7.78 3.72 2.25 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 0.88 0.00 0.00 1.01 0.00 0.00 27 K 8.16 4.19 0.00 2.22 2.08 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.70 7.81 28 Y 7.77 3.05 0.00 1.90 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 *30 D 8.04 4.47 0.00 2.99 2.89 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 31 A 7.89 3.97 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 32 L 8.08 3.84 0.00 1.25 1.47 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.79 4.36 4.18 0.00 0.00 0.00 0.00 0.00 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 34 E 8.16 4.20 0.00 2.04 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 2.32 2.36 0.00 35 H 7.64 3.65 0.00 3.00 2.61 0.00 5.84 0.00 0.00 0.00 0.00 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.83 4.50 0.00 2.74 2.54 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 0.00 0.00 0.00 0.00 37 Y 7.75 4.50 0.00 3.04 2.90 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 0.00 0.00 0.00 38 K 8.08 3.99 0.00 1.80 1.88 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.57 7.81 39 T 7.91 4.10 4.51 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 1.41 0.00 0.00 40 L 8.43 4.13 0.00 1.92 1.85 0.60 1.01 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 41 I 8.25 3.87 2.05 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.14 1.03 0.00 0.00 42 T 7.74 4.00 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 1.22 0.00 0.00 43 F 8.17 4.68 0.00 3.01 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 44 Y 7.78 5.44 0.00 3.05 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 45 N 8.65 5.33 0.00 2.97 3.00 0.00 0.00 6.80 7.32 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 46 R 8.61 4.17 0.00 2.02 2.16 0.00 3.06 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 47 D 8.23 4.67 0.00 2.88 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 48 S 8.23 4.52 0.00 3.86 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.76 4.82 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.94 0.89 0.00 0.00 50 F 9.42 5.14 0.00 3.08 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 51 F 8.70 5.18 0.00 2.86 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 52 D 8.93 4.61 0.00 2.89 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 53 K 8.11 2.89 0.00 1.52 1.50 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.30 0.48 7.81 54 T 7.84 3.81 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 55 A 8.55 4.19 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 56 N 7.32 4.27 0.00 2.78 2.84 0.00 0.00 6.93 7.52 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 57 R 8.13 4.63 0.00 1.76 1.61 0.00 3.21 0.00 0.00 3.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 58 K 8.26 5.04 0.00 1.41 1.33 0.00 1.39 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 1.18 7.81 59 Y 9.07 4.77 0.00 2.86 2.80 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 60 T 8.91 4.98 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 1.34 0.00 0.00 61 G 9.68 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 9.06 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 0.00 0.00 0.00 63 R 7.86 3.65 0.00 1.59 1.29 0.00 2.83 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.37 0.00 64 F 7.64 4.32 0.00 3.20 3.19 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 65 I 7.85 3.63 1.51 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.94 0.80 0.00 0.00 66 I 7.83 3.49 1.70 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 1.22 0.72 -0.06 0.00 0.00 67 D 7.92 4.16 0.00 2.76 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 68 F 7.89 3.83 0.00 1.66 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 69 L 7.36 3.03 0.00 1.71 1.60 0.98 0.39 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 70 E 7.79 3.97 0.00 1.98 1.96 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 2.24 2.43 0.00 71 R 7.72 3.94 0.00 1.88 1.87 0.00 3.11 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 72 A 7.73 3.80 0.57 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 0.00 0.00 73 H 7.70 4.98 0.00 3.21 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 7.54 4.07 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.34 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 75 G 8.95 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 0.00 0.00 0.00 76 V 7.43 3.42 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 0.63 0.00 0.00 0.53 0.00 0.00 77 L 8.35 4.32 0.00 1.50 1.64 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.44 4.69 0.00 1.91 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 2.28 2.31 0.00 79 Y 8.38 5.55 0.00 2.79 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 80 D 9.14 4.64 0.00 2.60 2.42 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 81 F 8.54 4.83 0.00 2.36 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 82 N 8.74 4.47 0.00 2.53 2.60 0.00 0.00 6.68 7.04 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 83 I 7.66 3.60 1.62 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 0.70 -0.27 0.75 0.00 0.00 84 E 8.88 4.25 0.00 1.91 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 2.24 2.13 0.00 85 H 7.74 4.80 0.00 3.10 3.24 0.00 5.95 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *87 Y 8.26 4.75 0.00 3.06 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 88 N 8.69 5.23 0.00 3.03 2.76 0.00 0.00 5.74 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.84 4.58 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.21 3.73 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 0.00 0.00 0.00 91 S 8.65 4.36 0.00 3.91 4.08 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 92 L 7.99 4.87 0.00 1.79 1.71 0.96 0.78 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 93 V 8.69 4.62 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 0.92 0.00 0.00 0.91 0.00 0.00 94 V 8.14 4.41 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 0.57 0.00 0.00 0.69 0.00 0.00 *96 I 8.09 4.08 1.96 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.67 0.96 0.00 0.00 97 G 8.71 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.21 5.61 0.00 2.89 2.57 0.00 0.00 7.58 7.16 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 99 Y 9.33 5.03 0.00 3.08 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 0.00 100 H 9.36 5.53 0.00 3.24 3.22 0.00 5.54 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 9.32 5.38 0.00 3.42 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 0.00 102 K 8.01 4.68 0.00 1.62 1.35 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.17 1.40 7.81 103 G 8.14 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.79 0.00 2.17 2.15 0.00 3.92 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 105 G 8.87 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.57 4.00 0.00 2.14 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 2.44 2.42 0.00 107 Q 8.06 4.03 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.26 0.00 0.00 0.00 0.00 0.00 2.06 1.39 0.00 108 F 8.27 4.44 0.00 3.15 3.15 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 0.00 109 G 8.19 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.34 4.70 0.00 1.79 1.75 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.54 7.81 111 P 0.00 4.40 0.00 2.19 2.09 0.00 3.95 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 112 G 9.73 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 0.00 113 K 7.65 4.75 0.00 1.84 1.69 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.39 7.81 114 I 8.25 4.84 1.85 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 1.39 0.78 0.85 0.00 0.00 115 I 8.55 4.52 1.75 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.65 0.91 0.00 0.00 116 D 8.87 4.80 0.00 2.65 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 0.00 117 V 9.25 4.85 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 0.65 0.00 0.00 1.09 0.00 0.00 118 A 9.49 5.15 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 0.00 119 I 8.92 4.48 2.02 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 1.33 0.99 0.90 0.00 0.00 120 P 0.00 4.88 0.00 2.10 2.01 0.00 3.67 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.14 0.00 121 A 8.89 5.07 1.51 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 0.00 0.00 122 V 8.74 4.75 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 1.07 0.00 0.00 0.99 0.00 0.00 123 T 8.77 5.21 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 1.19 0.00 0.00 124 S 9.10 5.03 0.00 3.80 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.81 5.13 0.00 1.48 1.43 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 126 K 9.09 4.77 0.00 1.85 1.68 0.00 1.49 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.46 7.81 127 L 8.70 5.13 0.00 1.55 1.57 0.93 1.25 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 0.00 128 D 8.96 4.62 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 *130 L 8.45 4.23 0.00 1.89 1.75 0.93 1.01 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 0.00 131 N 8.38 4.49 0.00 2.74 2.85 0.00 0.00 7.31 7.80 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 0.00 132 R 7.78 3.78 0.00 1.82 1.73 0.00 3.03 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 133 R 8.08 5.00 0.00 1.89 1.76 0.00 3.13 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 134 V 8.90 4.55 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 0.77 0.00 0.00 0.01 0.00 0.00 135 T 8.99 4.40 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 1.25 0.00 0.00 136 E 8.02 5.10 0.00 2.04 1.80 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 2.31 2.34 0.00 137 H 9.67 5.30 0.00 3.38 3.27 0.00 5.60 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.88 4.73 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 0.93 0.00 0.00 0.97 0.00 0.00 139 D 8.65 5.22 0.00 2.41 2.48 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 0.00 140 L 9.06 4.47 0.00 1.52 1.56 0.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 141 I 8.54 4.41 1.03 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.68 0.20 0.00 0.00 142 D 8.46 4.59 0.00 2.61 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 0.00 143 Y 7.85 4.36 0.00 3.10 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 0.00 144 Q 8.32 4.20 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 7.21 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 145 T 8.06 4.43 4.48 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 1.25 0.00 0.00 *147 S 8.21 4.52 0.00 4.13 4.01 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 0.00 148 D 8.40 4.42 0.00 2.85 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 0.00 149 Q 8.02 4.17 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.99 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 150 L 7.96 4.18 0.00 1.82 1.79 1.10 0.72 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 0.00 151 A 7.81 4.24 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 *153 Q 8.14 4.07 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.60 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 * Residues marked with a * may have inaccurate shift predictions.