NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4717 8.2893 120.3261 55.7258 33.3494 173.9240 2 R 4.3220 7.8394 115.7683 54.1507 31.9842 172.6234 3 L 4.1688 9.1022 122.0679 54.9592 43.5758 177.3197 4 L 4.4391 8.6090 126.5505 57.0345 42.7826 176.1674 5 H 5.7805 7.3661 109.7117 56.2957 31.5104 172.4764 6 T 4.5741 8.2430 114.3836 61.9374 71.6056 172.8029 7 M 4.7806 8.5757 126.2722 54.0215 33.9049 174.9867 8 L 4.5122 8.4187 125.1723 52.7592 45.8468 175.7930 9 R 4.4603 8.3926 122.2720 55.7975 30.7120 176.2631 10 V 4.6993 8.7998 117.3333 59.6502 34.1037 176.4374 11 G 3.8549 9.5543 111.0702 46.9792 0.0000 173.3488 12 D 4.4055 7.9013 119.0986 51.6837 43.6681 174.6506 13 L 3.9113 8.0483 129.0354 58.7693 42.0987 178.5982 14 Q 4.1030 7.9395 118.5615 58.9956 29.1445 178.1213 15 R 3.9318 8.3429 119.9202 59.5752 30.1534 178.7867 16 S 4.3580 8.2926 114.9437 61.5159 62.8778 176.5327 17 I 3.8210 8.3240 122.9869 64.6622 36.9351 177.9313 18 D 4.4274 8.6292 119.8933 57.4758 40.6746 178.7523 19 F 3.9841 8.1844 120.4132 61.7083 39.4012 176.7682 20 Y 3.9669 8.3396 116.4858 61.4296 37.6152 178.0668 21 T 4.7642 8.1529 112.2571 63.2543 69.0453 177.0198 22 K 3.8449 8.2447 122.9774 58.5016 32.6824 178.9425 23 V 3.6604 7.5026 116.5617 65.4155 31.6344 176.9980 24 L 4.0128 7.4085 117.1769 55.5514 41.7257 178.2457 25 G 3.9703 8.2619 106.7302 45.5060 0.0000 173.2884 26 M 4.1752 7.9538 120.2837 54.5694 34.0987 175.0400 27 K 4.8446 8.7789 118.7887 54.4202 35.8121 175.8902 28 L 4.3219 8.4825 125.7827 55.2469 41.8616 176.3098 29 L 4.4605 9.4204 128.7806 57.0313 42.6372 177.4638 30 R 4.6264 7.4229 111.8994 55.9129 31.9335 173.5441 31 T 5.7947 8.5931 109.8263 59.4270 72.5919 172.1997 32 S 4.8572 8.2953 114.2483 58.0054 65.8066 174.0665 33 E 5.1975 8.7211 117.4220 54.9326 33.0162 174.5353 34 N 4.6999 8.7117 120.1176 51.3176 41.1868 173.2496 35 P 4.3240 0.0000 0.0000 65.5418 32.0763 177.6548 36 E 3.7307 8.1071 118.9718 59.0198 29.4645 176.8680 37 Y 4.4093 8.5601 113.3911 57.0225 39.1999 175.4371 38 K 2.0000 7.2326 119.7349 56.1386 29.8137 173.0044 39 Y 4.7332 5.3700 115.9815 55.7195 42.3256 175.5711 40 S 5.3737 9.8518 115.7096 56.9650 67.3413 173.3334 41 L 5.4718 9.2644 122.3158 53.0873 45.7789 175.5231 42 A 5.0453 8.6481 122.2834 50.6770 22.6168 174.9717 43 F 5.0777 9.8997 122.5657 56.1456 40.9894 175.6038 44 V 4.8658 8.1315 116.9957 59.7249 35.3844 175.0672 45 G 4.2321 8.1674 109.1496 46.5801 0.0000 173.3813 46 Y 4.6627 8.7501 115.8987 58.1396 38.3245 175.6105 47 G 4.1643 7.4281 107.2900 43.6647 0.0000 171.3776 48 P 4.4557 0.0000 0.0000 62.2749 31.7959 177.3959 49 E 3.9582 8.6864 119.2026 59.5399 29.4512 178.6528 50 T 4.1626 7.8341 107.1066 62.9622 69.4643 174.9476 51 E 4.4889 8.0040 120.1726 56.7889 31.4215 174.8949 52 E 4.7298 8.2415 115.8293 54.3792 33.7605 174.0280 53 A 4.7463 8.3955 121.2199 51.6580 20.2065 177.2112 54 V 4.6793 8.6726 115.1922 59.6659 36.2857 173.8927 55 I 4.7866 8.3717 121.0336 60.0476 40.2365 174.7816 56 E 3.9260 8.8951 128.4958 54.3102 30.9468 174.5546 57 L 4.5602 8.4255 129.1867 54.1934 43.2124 176.0938 58 T 4.9141 8.6651 121.5740 61.8271 71.1921 172.7777 59 Y 5.1436 9.2314 128.5802 55.9464 41.3627 174.0050 60 N 4.9482 8.1392 125.8035 51.5979 40.1749 175.2301 61 W 4.3291 8.1812 124.3120 58.5490 29.5498 176.6996 62 G 3.8978 8.8209 110.1977 45.6749 0.0000 173.1545 63 V 4.1425 7.6557 119.8878 61.1331 32.0755 174.8129 64 D 5.1988 8.4064 124.8626 51.9631 40.0854 175.3133 65 K 4.5471 7.2085 119.4359 55.6825 35.0269 173.9385 66 Y 4.6846 8.2889 121.8675 56.2038 41.8129 173.9883 67 E 4.4997 8.5927 121.2998 54.3489 30.2490 175.0220 68 L 3.8583 8.6253 129.4178 56.3347 42.3965 178.0736 69 G 3.9424 8.1871 106.8933 44.9590 0.0000 172.6776 70 T 4.4700 8.2857 106.0478 61.2844 69.8053 175.0898 71 A 4.1011 8.0441 125.2849 55.3158 18.9296 177.3936 72 Y 4.2509 8.0481 115.7322 57.9007 39.3329 174.5745 73 G 3.2861 7.5112 116.6044 45.7087 0.0000 174.7468 74 H 4.4470 6.7231 116.0907 54.7835 32.1613 173.7647 75 I 4.7441 8.1184 117.6204 59.6235 40.1810 174.7764 76 A 5.1808 8.7729 128.0922 50.3727 20.7938 175.9879 77 L 5.0194 8.9931 122.3137 52.7018 45.6455 176.4833 78 S 4.8942 8.5771 116.7026 58.4963 64.5033 173.6914 79 V 4.4453 8.2684 113.3882 60.1599 35.6477 176.1989 80 D 4.2963 8.7770 123.2443 56.8825 41.1970 176.8846 81 N 4.9030 7.7267 116.7025 50.6603 40.3083 173.9619 82 A 3.9349 9.3517 129.9829 54.9948 18.6332 178.8323 83 A 3.9203 8.0149 118.4874 55.3628 18.4747 179.2398 84 E 3.8267 9.0634 117.8356 59.3044 29.6519 178.7511 85 A 3.9564 8.2578 121.0704 55.4660 18.3870 179.1775 86 C 4.0246 8.4882 115.4821 63.2053 28.1012 176.3921 87 E 3.9497 8.1686 119.8879 59.2213 28.8326 179.3284 88 K 3.9103 7.9082 118.4040 59.5066 32.5960 178.5901 89 I 3.9171 8.1152 120.6503 64.4937 36.9118 178.7216 90 R 4.2085 8.1076 115.3451 58.8144 29.2481 177.8046 91 Q 4.4574 7.6943 116.1811 55.6586 30.2856 175.0607 92 N 5.0164 8.0886 116.7928 52.2348 39.2158 175.2115 93 G 3.9440 8.5054 106.5193 45.0708 0.0000 172.1859 94 G 4.3414 7.6501 106.2030 44.6668 0.0000 172.1487 95 N 5.1231 8.7278 116.9849 52.0533 42.7975 173.7896 96 V 4.5101 8.5339 126.1766 62.1535 31.9106 175.2026 97 T 4.4101 8.8349 118.6198 62.4545 70.7155 174.8591 98 R 4.4874 7.8835 121.8438 54.3750 32.5730 173.9506 99 E 4.3861 9.0895 125.6390 56.5279 30.4153 177.2106 100 A 4.3231 8.7839 124.1959 51.7936 19.1659 177.2666 101 G 4.1500 8.4656 110.2595 45.0779 0.0000 170.6580 102 P 5.6820 0.0000 0.0000 62.1062 32.4103 176.3586 103 V 4.0170 8.2721 120.7771 60.6375 33.1407 175.3106 104 K 3.9508 8.9150 123.7841 58.3987 32.2893 176.0726 105 G 4.0161 8.8693 113.1800 45.8905 0.0000 172.7716 106 G 4.2123 8.0807 106.3967 44.5967 0.0000 173.4144 107 T 4.4712 8.1337 106.9699 61.5146 70.7787 174.6453 108 T 3.9492 7.7848 120.3068 63.7342 69.5674 173.4460 109 V 4.4379 8.4438 127.3246 62.5200 32.9762 174.7684 110 I 5.2788 8.8101 120.0815 59.8427 41.7580 173.4343 111 A 5.0815 8.5059 122.7637 50.9858 23.3334 175.1029 112 F 5.1017 8.9515 117.1495 55.9139 42.8047 175.1178 113 V 5.1022 9.3702 115.6215 59.8275 36.8117 173.9150 114 E 5.3576 9.4745 120.6857 54.7981 33.2056 176.7856 115 D 3.8711 8.8971 123.6231 51.3303 41.1393 175.1867 116 P 4.2146 0.0000 0.0000 64.5936 31.1626 177.1305 117 D 4.6284 8.6872 116.0781 53.8574 40.9322 177.3226 118 G 3.9011 8.1509 108.3319 44.9096 0.0000 173.6681 119 Y 4.4979 7.8557 118.4863 57.9427 38.7111 175.5373 120 K 4.8542 9.1199 123.9941 56.5380 33.9172 175.9551 121 I 5.1031 9.3914 125.0531 59.5761 41.1642 173.8029 122 E 4.0294 9.0511 128.2914 54.4751 31.3628 174.3163 123 L 5.0193 8.7099 127.5469 53.1553 44.2034 175.4361 124 I 4.7178 8.3657 125.0400 59.0795 39.5949 174.7813 125 E 4.5056 9.0369 130.0198 55.9307 30.0749 176.2291 126 E 4.3781 8.6046 124.1349 55.6298 30.5209 176.8575 *134 G 3.7612 7.6816 106.8535 45.8353 0.0000 173.1100 135 N 4.4951 8.0362 119.8029 52.9322 37.3942 175.1608 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.29 4.47 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 R 7.84 4.32 0.00 1.96 1.87 0.00 3.03 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 3 L 9.10 4.17 0.00 1.63 1.63 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.61 4.44 0.00 1.56 1.72 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 5 H 7.37 5.78 0.00 3.21 3.34 0.00 5.08 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 6 T 8.24 4.57 4.19 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 1.13 0.00 0.00 7 M 8.58 4.78 0.00 1.86 1.98 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 8 L 8.42 4.51 0.00 1.04 0.45 0.18 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.39 4.46 0.00 0.67 0.84 0.00 2.64 0.00 0.00 2.88 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.29 0.00 10 V 8.80 4.70 2.36 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 0.79 0.00 0.00 1.07 0.00 0.00 11 G 9.55 3.85 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 0.00 0.00 0.00 12 D 7.90 4.41 0.00 2.66 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 13 L 8.05 3.91 0.00 1.64 1.52 1.00 0.82 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 14 Q 7.94 4.10 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 15 R 8.34 3.93 0.00 2.00 2.13 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 16 S 8.29 4.36 0.00 4.05 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 0.00 17 I 8.32 3.82 2.05 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 1.57 1.00 0.96 0.00 0.00 18 D 8.63 4.43 0.00 2.86 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 19 F 8.18 3.98 0.00 3.12 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 20 Y 8.34 3.97 0.00 3.22 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 21 T 8.15 4.76 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 1.30 0.00 0.00 22 K 8.24 3.84 0.00 1.93 1.90 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.39 7.81 23 V 7.50 3.66 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 0.41 0.00 0.00 0.83 0.00 0.00 24 L 7.41 4.01 0.00 1.78 1.78 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.26 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 26 M 7.95 4.18 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.98 0.00 27 K 8.78 4.84 0.00 1.60 1.67 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.51 7.81 28 L 8.48 4.32 0.00 1.67 1.62 0.97 1.01 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 29 L 9.42 4.46 0.00 1.63 1.70 1.00 0.87 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 30 R 7.42 4.63 0.00 1.82 1.93 0.00 2.73 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.55 0.00 31 T 8.59 5.79 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 1.29 0.00 0.00 32 S 8.30 4.86 0.00 3.95 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.72 5.20 0.00 2.32 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 34 N 8.71 4.70 0.00 2.26 1.42 0.00 0.00 7.05 8.56 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 35 P 0.00 4.32 0.00 2.24 2.35 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 36 E 8.11 3.73 0.00 1.62 1.49 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 1.47 1.87 0.00 37 Y 8.56 4.41 0.00 3.23 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.23 2.00 0.00 1.71 1.55 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.15 7.81 39 Y 5.37 4.73 0.00 2.99 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 40 S 9.85 5.37 0.00 4.15 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 41 L 9.26 5.47 0.00 1.72 1.38 1.22 1.01 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 42 A 8.65 5.05 1.22 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 0.00 0.00 0.00 43 F 9.90 5.08 0.00 2.90 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 V 8.13 4.87 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 0.72 0.00 0.00 0.74 0.00 0.00 45 G 8.17 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 46 Y 8.75 4.66 0.00 3.03 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 47 G 7.43 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 48 P 0.00 4.46 0.00 2.22 2.19 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 49 E 8.69 3.96 0.00 1.90 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 2.29 2.24 0.00 50 T 7.83 4.16 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 1.19 0.00 0.00 51 E 8.00 4.49 0.00 2.07 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 2.22 2.29 0.00 52 E 8.24 4.73 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 53 A 8.40 4.75 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 54 V 8.67 4.68 2.38 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 0.77 0.00 0.00 1.10 0.00 0.00 55 I 8.37 4.79 1.54 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.95 0.54 0.00 0.00 56 E 8.90 3.93 0.00 1.31 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 1.69 1.47 0.00 57 L 8.43 4.56 0.00 1.58 1.52 0.87 0.05 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 58 T 8.67 4.91 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 1.02 0.00 0.00 59 Y 9.23 5.14 0.00 3.12 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 60 N 8.14 4.95 0.00 2.88 2.66 0.00 0.00 6.57 7.55 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 61 W 8.18 4.33 0.00 3.32 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 62 G 8.82 3.90 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 0.00 0.00 0.00 63 V 7.66 4.14 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 0.29 0.00 0.00 0.86 0.00 0.00 64 D 8.41 5.20 0.00 2.89 2.94 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 65 K 7.21 4.55 0.00 1.61 1.55 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.47 7.81 66 Y 8.29 4.68 0.00 2.90 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 67 E 8.59 4.50 0.00 1.94 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 2.21 2.22 0.00 68 L 8.63 3.86 0.00 1.52 1.67 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.19 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 70 T 8.29 4.47 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 1.22 0.00 0.00 71 A 8.04 4.10 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 72 Y 8.05 4.25 0.00 2.93 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 73 G 7.51 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 H 6.72 4.45 0.00 3.32 3.35 0.00 5.47 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.12 4.74 2.04 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 1.26 0.91 1.02 0.00 0.00 76 A 8.77 5.18 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 77 L 8.99 5.02 0.00 1.59 1.66 1.15 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.58 4.89 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 79 V 8.27 4.45 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 0.70 0.00 0.00 0.98 0.00 0.00 80 D 8.78 4.30 0.00 2.63 2.69 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 81 N 7.73 4.90 0.00 2.67 2.62 0.00 0.00 7.09 8.43 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 82 A 9.35 3.93 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 83 A 8.01 3.92 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 84 E 9.06 3.83 0.00 1.98 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 0.00 2.29 2.32 0.00 85 A 8.26 3.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.49 4.02 0.00 3.12 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 87 E 8.17 3.95 0.00 2.13 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 0.00 2.52 2.46 0.00 88 K 7.91 3.91 0.00 1.81 1.96 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.44 7.81 89 I 8.12 3.92 2.12 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 1.52 0.68 1.17 0.00 0.00 90 R 8.11 4.21 0.00 1.99 2.11 0.00 3.29 0.00 0.00 3.39 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.70 0.00 91 Q 7.69 4.46 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.39 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 92 N 8.09 5.02 0.00 2.77 2.77 0.00 0.00 7.10 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.51 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 94 G 7.65 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 0.00 0.00 0.00 0.00 95 N 8.73 5.12 0.00 2.83 2.61 0.00 0.00 7.21 7.72 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 96 V 8.53 4.51 2.12 0.00 0.00 0.00 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 0.97 0.00 0.00 97 T 8.83 4.41 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 1.28 0.00 0.00 98 R 7.88 4.49 0.00 1.95 2.12 0.00 3.51 0.00 0.00 3.41 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 99 E 9.09 4.39 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 100 A 8.78 4.32 1.22 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 0.00 0.00 0.00 101 G 8.47 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 0.00 0.00 0.00 102 P 0.00 5.68 0.00 2.18 2.07 0.00 3.38 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.81 0.00 103 V 8.27 4.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.96 0.00 0.00 104 K 8.91 3.95 0.00 1.74 1.81 0.00 1.93 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.49 7.81 105 G 8.87 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 0.00 106 G 8.08 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 0.00 107 T 8.13 4.47 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 0.00 108 T 7.78 3.95 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 1.20 0.00 0.00 109 V 8.44 4.44 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 1.09 0.00 0.00 0.95 0.00 0.00 110 I 8.81 5.28 1.80 0.00 0.00 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 1.18 0.69 0.87 0.00 0.00 111 A 8.51 5.08 1.24 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 0.00 0.00 112 F 8.95 5.10 0.00 3.06 2.92 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 0.00 0.00 0.00 113 V 9.37 5.10 2.32 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 0.79 0.00 0.00 1.12 0.00 0.00 114 E 9.47 5.36 0.00 1.85 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 2.38 2.28 0.00 115 D 8.90 3.87 0.00 1.97 2.69 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 0.00 116 P 0.00 4.21 0.00 1.99 2.08 0.00 2.89 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.80 0.00 117 D 8.69 4.63 0.00 2.67 2.60 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 0.00 118 G 8.15 3.90 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 0.00 0.00 0.00 119 Y 7.86 4.50 0.00 3.46 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 0.00 120 K 9.12 4.85 0.00 1.99 1.94 0.00 1.75 0.00 0.00 2.05 0.00 0.00 2.80 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.62 1.45 7.81 121 I 9.39 5.10 2.02 0.00 0.00 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 1.37 1.07 1.07 0.00 0.00 122 E 9.05 4.03 0.00 1.29 1.55 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 1.79 1.47 0.00 123 L 8.71 5.02 0.00 1.49 1.50 0.91 0.73 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 0.00 124 I 8.37 4.72 1.82 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 1.02 0.61 0.88 0.00 0.00 125 E 9.04 4.51 0.00 2.02 1.82 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 2.29 2.23 0.00 126 E 8.60 4.38 0.00 1.97 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 2.42 2.20 0.00 *134 G 7.68 3.76 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 0.00 0.00 0.00 135 N 8.04 4.50 0.00 2.84 2.82 0.00 0.00 6.17 7.56 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 * Residues marked with a * may have inaccurate shift predictions.