NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.5124 8.1927 115.5527 58.3235 65.0810 171.7232 4 V 4.7780 8.2587 120.1557 59.3304 34.1240 173.3012 5 R 4.6375 9.3449 123.4311 54.5539 33.1722 173.5146 6 I 4.5877 8.5222 124.5397 60.0472 38.0453 175.0723 7 R 4.8077 8.3305 123.0053 53.6650 33.2632 174.4073 8 E 4.5968 8.8110 120.8446 56.3141 30.2791 176.4155 9 A 4.6324 9.1258 128.1686 51.9601 19.5941 176.9469 10 K 4.9760 9.0962 118.0150 53.8359 36.0208 177.5443 11 E 3.0808 8.3653 120.3204 59.4665 28.8824 180.0739 12 G 3.6547 7.8626 103.8673 46.8555 0.0000 174.2477 13 D 4.7473 8.2922 120.1048 54.7541 41.2745 177.9393 14 C 4.3689 7.9440 118.7053 62.2325 27.8643 176.2123 15 G 3.5610 7.9502 107.4933 47.8719 0.0000 175.5204 16 D 4.3938 7.9985 121.1922 57.0463 40.9416 178.7266 17 I 3.4766 7.9058 120.4244 64.1192 37.1757 178.2208 18 L 3.8812 7.7342 120.6882 58.2753 41.9995 179.3332 19 R 3.9668 7.7824 117.9629 59.0366 29.9502 178.8293 20 L 4.1667 7.7951 118.5924 57.1001 41.5805 179.3924 21 I 3.8938 7.3928 121.6062 63.7383 36.8168 178.1870 22 R 4.0958 7.8889 117.3759 58.0253 29.8156 178.3830 23 E 3.8674 7.3952 118.7635 58.4841 29.7775 177.9270 24 L 3.7579 6.9720 119.7510 58.4892 42.0647 179.1702 25 A 4.1490 7.7239 120.3872 55.3067 18.0791 179.2244 26 E 3.9201 7.5828 117.0062 59.1254 29.7034 178.6700 27 F 4.3175 8.2512 120.4030 61.3190 39.7357 176.6329 28 E 4.9446 9.0082 115.6729 55.8651 30.4009 175.8215 29 K 3.5875 8.9731 120.7668 56.4498 29.1554 170.8236 30 L 3.8381 8.1446 124.0478 54.6811 40.8620 174.5082 *35 K 4.3298 8.4902 122.3810 55.8008 33.8508 175.9388 36 I 4.3973 7.3196 118.6687 58.9025 38.1653 175.0326 37 S 4.4280 8.1095 120.3910 57.0982 64.4716 175.4050 38 E 3.8963 8.8815 120.5329 59.6467 29.1073 177.9968 39 E 3.9200 7.8049 118.1980 59.4937 29.3000 178.8605 40 A 4.0447 7.8644 119.5681 55.0615 18.7588 179.0650 41 L 4.5710 7.9602 118.3666 57.6901 41.6515 180.0260 42 R 4.1732 8.0142 116.9345 59.1877 29.8658 178.7383 43 A 4.2458 8.0210 118.8697 54.3753 18.5912 177.5837 44 D 4.6489 8.3101 114.4199 55.7497 45.2398 177.8870 45 G 2.8921 8.6220 106.3702 47.9759 0.0000 173.5748 46 F 4.2225 8.1447 115.8643 60.0726 42.1457 179.8839 47 G 2.9507 7.1656 102.9519 44.4184 0.0000 173.4879 48 D 4.3854 7.4390 127.9739 53.7373 46.4248 175.8546 49 N 4.8779 7.7726 114.9843 50.7956 38.8230 172.7581 50 P 4.6607 0.0000 0.0000 62.6562 32.1472 177.0797 51 F 4.8500 8.2312 119.8997 57.8529 39.5613 174.9778 52 Y 4.8787 6.7762 117.6066 56.3439 41.0667 173.1490 53 H 4.7250 7.8535 117.5940 54.6897 34.0815 171.3262 54 C 5.2672 7.9186 111.9229 58.2090 32.5198 172.5770 55 L 5.2754 8.9469 119.0411 53.3765 45.0573 176.6842 56 V 4.6728 8.5837 113.8178 58.9385 33.8006 174.5289 57 A 3.9974 8.4683 127.1733 52.6518 19.7115 175.7832 58 E 5.1059 8.7570 123.0584 54.4832 33.0319 175.1676 59 I 4.1997 8.2288 127.7038 61.0048 38.5381 175.5226 60 L 4.9579 8.5321 125.3024 53.0634 39.9871 176.2056 *68 G 3.6632 7.7999 108.3297 44.0991 0.0000 168.8262 69 P 4.9454 0.0000 0.0000 62.5075 31.5818 175.6865 70 C 4.8218 8.1569 116.9904 56.3804 33.3725 173.3232 71 V 4.0761 8.4014 121.2191 62.5938 31.7371 176.4386 72 V 4.4777 9.7781 125.2859 59.8764 31.5825 174.9690 73 G 4.5139 7.6351 104.9585 43.7669 0.0000 171.9939 74 Y 5.0431 8.4625 117.8620 55.9416 42.2921 174.1201 75 G 4.1643 9.0623 106.0987 44.9516 0.0000 171.7635 76 I 5.3220 8.3010 126.0848 59.8576 40.9215 174.4318 77 Y 5.3768 8.4192 122.9098 56.3961 42.1390 172.7736 78 Y 4.9078 8.1213 115.4628 56.0674 41.7904 173.5781 79 F 5.0290 8.9830 119.8687 56.9625 39.9149 175.2210 80 I 5.1183 8.1112 118.4445 60.3524 40.4006 173.9778 81 Y 4.9955 8.7031 120.9507 56.7110 41.7706 174.9666 82 S 4.7907 7.4012 120.1065 56.6983 65.5668 174.2710 83 T 4.1065 8.4713 111.7396 62.3122 69.3145 175.3660 84 W 4.5119 8.0964 121.9145 58.2468 29.9695 177.0893 85 K 4.4456 7.9617 115.3285 56.8630 34.2232 175.3487 86 G 3.6353 7.7020 104.1394 43.1730 0.0000 173.4300 87 R 4.2942 8.9061 122.3891 57.5004 30.6726 175.9769 88 T 5.2214 8.8724 119.6914 61.7724 72.7472 173.1779 89 I 4.7178 8.4570 122.9030 59.6993 41.1102 174.0462 90 Y 4.7123 8.7759 127.7915 55.7111 40.9366 174.3161 91 L 4.2537 8.2627 130.9011 53.9352 42.3341 175.8849 92 E 4.5849 8.7832 134.0092 56.2628 30.2089 179.6454 93 D 4.5183 9.6210 116.2294 55.3234 42.1996 175.3108 94 I 4.5631 8.0234 122.4309 59.9247 41.0240 174.0517 95 Y 4.5070 7.8849 125.4090 56.8320 42.8475 171.9528 96 V 4.0916 7.4099 123.1549 62.7201 31.1481 174.0542 *98 P 4.4541 0.0000 0.0000 62.4988 32.9998 178.3711 99 E 3.7936 8.0975 115.0961 58.7263 29.3871 177.2988 100 Y 4.7549 7.5857 113.9028 57.6641 38.6654 175.7016 101 R 4.1740 7.6790 120.5584 55.8293 31.1235 176.7600 102 G 3.9488 8.6994 104.5871 46.5219 0.0000 173.8180 103 Q 4.5163 7.7547 114.7017 55.4813 29.0657 176.8042 104 G 3.9971 8.3805 107.3869 46.7769 0.0000 176.4148 105 I 3.7597 7.7940 120.8536 64.3508 37.2817 177.9848 106 G 3.7468 8.1323 106.0826 48.2016 0.0000 175.6631 107 S 4.1970 7.9718 116.8886 61.2854 63.0204 176.6333 108 K 3.7927 8.0273 121.1060 59.5967 31.7205 179.4641 109 I 3.7840 7.8385 120.1674 64.2777 37.0422 178.5022 110 I 3.7401 7.5722 120.2606 64.3504 36.9519 178.6880 111 K 3.9585 8.8223 119.9429 59.2160 31.8472 179.3741 112 K 3.8836 8.1165 120.0507 59.4321 32.1185 179.1191 113 V 3.2294 7.7627 118.3328 65.3609 31.3045 177.9804 114 A 3.2657 7.3831 120.6697 54.8682 18.1392 179.3601 115 E 3.7891 7.9950 117.0661 59.5893 29.5731 179.7857 116 V 3.4975 7.7016 117.9101 66.0206 31.4108 177.3469 117 A 3.9322 7.7565 120.2563 55.4237 18.1109 179.4065 118 L 3.9805 7.8789 116.0326 58.0911 41.6988 179.3689 119 D 4.5344 8.0743 116.4559 56.6953 40.9686 177.6610 120 K 4.5332 7.7501 116.4457 55.3698 32.5341 176.3040 121 G 3.7816 8.5291 106.8592 46.8229 0.0000 173.9646 122 C 5.4422 8.9923 118.8369 57.0252 28.8317 174.4919 123 S 4.3868 8.6572 120.2510 59.7532 63.6275 173.7294 124 Q 5.0165 7.7621 118.5106 54.6905 32.4422 173.7339 125 F 5.3700 8.5475 113.4909 55.8608 41.0159 173.4232 126 R 4.4424 9.0703 122.3433 54.1952 33.3374 173.9489 127 L 3.4066 7.1323 120.5984 55.4345 41.7031 173.0258 128 A 4.9569 8.2993 122.3633 50.5715 21.3572 176.5887 129 V 4.5258 7.8484 117.6962 59.9139 34.8101 174.7184 130 L 4.0916 8.0711 122.4377 53.6260 42.4071 177.3069 131 D 4.3587 8.7535 123.8864 56.2278 39.1901 178.1710 132 W 4.2934 7.5565 115.4607 58.7802 29.0491 176.5774 133 N 4.8440 6.5783 118.3999 53.1740 36.3444 174.4572 134 Q 4.1305 7.9760 120.4987 59.2387 30.0156 178.7683 135 R 3.9916 8.3634 116.3214 59.4588 30.2648 180.3569 136 A 3.8224 7.5016 118.0747 52.2811 17.8918 179.0456 *138 D 4.5455 8.2142 121.4424 55.9391 43.2361 177.9988 139 L 3.8093 7.7339 120.3385 58.4529 41.9936 178.4824 140 Y 4.3976 7.7592 116.9536 61.3411 37.8294 179.1299 141 K 4.1304 8.1035 118.5189 59.2172 31.9460 179.0554 142 A 4.0105 7.6461 120.3082 55.1651 18.4366 179.1573 143 L 4.3072 7.4887 113.1802 55.3516 41.5796 178.1609 144 G 3.9165 7.8760 107.6124 44.8448 0.0000 174.3779 145 A 3.9845 7.7945 122.4117 52.0487 18.9472 176.8779 146 Q 4.5457 8.1239 118.7760 54.1886 30.9553 177.0456 147 D 4.6014 8.3310 122.7686 52.8744 39.6782 176.2705 148 L 3.5543 8.0543 125.0088 57.3098 41.8413 178.7637 149 T 4.2586 7.9632 116.9831 66.0115 68.2507 175.8278 150 E 4.2543 8.2153 118.1216 57.9801 30.1827 177.7091 151 A 4.3927 8.6625 119.3155 53.0853 18.9837 177.3477 152 E 4.4907 8.2005 112.7357 56.5662 34.8648 176.2704 153 G 4.3141 8.3356 106.0676 44.9615 0.0000 173.5230 154 W 4.0057 8.3618 120.2158 56.5739 29.5018 174.9562 155 H 4.8227 8.6899 120.0106 53.6332 29.7015 173.6907 156 F 4.5331 8.6857 123.3312 58.0244 39.3960 175.0169 157 F 4.6338 8.7858 124.3657 56.7297 42.4939 173.3821 158 C 4.9172 8.1220 125.1271 58.0269 34.5190 172.9091 159 F 4.9806 8.9809 124.3150 55.8794 41.1244 175.1702 160 Q 4.5929 8.1660 121.5861 55.3274 33.4680 175.1193 161 G 3.8226 8.5209 110.5375 46.3743 0.0000 175.7365 162 E 3.8551 9.0109 119.9021 59.5308 29.1719 178.7689 163 A 4.1235 7.9043 120.6181 55.7870 18.5147 179.9208 164 T 3.7400 8.3699 114.4181 66.6854 68.2525 177.2063 165 R 3.9305 7.8703 118.7420 59.1452 29.8866 178.8990 166 K 4.1088 8.5585 118.5904 59.4552 31.9480 178.8701 167 L 4.0905 7.8185 119.0462 58.4446 41.9317 178.5390 168 A 4.1023 7.7545 117.9860 52.6737 18.3422 177.5332 169 G 4.0362 9.1118 112.1608 45.7190 0.0000 173.6221 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 3 S 8.19 4.51 0.00 3.91 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 0.00 4 V 8.26 4.78 2.07 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 0.80 0.00 0.00 0.90 0.00 0.00 5 R 9.34 4.64 0.00 1.90 1.96 0.00 2.81 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 6 I 8.52 4.59 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 1.40 0.94 0.93 0.00 0.00 7 R 8.33 4.81 0.00 1.86 2.00 0.00 3.00 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 8 E 8.81 4.60 0.00 2.06 1.94 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 2.34 2.36 0.00 9 A 9.13 4.63 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 9.10 4.98 0.00 1.82 1.66 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.44 7.81 11 E 8.37 3.08 0.00 1.66 1.63 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 1.47 1.78 0.00 12 G 7.86 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.29 4.75 0.00 2.73 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 14 C 7.94 4.37 0.00 3.00 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 15 G 7.95 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 0.00 0.00 0.00 16 D 8.00 4.39 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.91 3.48 1.84 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 1.37 1.11 0.65 0.00 0.00 18 L 7.73 3.88 0.00 1.85 1.81 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.78 3.97 0.00 2.01 1.98 0.00 3.18 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 20 L 7.80 4.17 0.00 1.63 2.08 1.10 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.39 3.89 1.93 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.16 0.89 0.00 0.00 22 R 7.89 4.10 0.00 1.87 1.95 0.00 3.10 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 23 E 7.40 3.87 0.00 1.47 1.67 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 2.61 2.56 0.00 24 L 6.97 3.76 0.00 1.35 1.61 1.19 1.09 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 25 A 7.72 4.15 1.40 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 0.00 0.00 26 E 7.58 3.92 0.00 2.13 2.26 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 2.36 2.41 0.00 27 F 8.25 4.32 0.00 3.27 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.01 4.94 0.00 2.16 2.28 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 2.76 2.93 0.00 29 K 8.97 3.59 0.00 1.85 1.79 0.00 1.30 0.00 0.00 1.49 0.00 0.00 2.74 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.25 1.37 7.81 30 L 8.14 3.84 0.00 1.82 1.92 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 *35 K 8.49 4.33 0.00 1.75 1.89 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.41 7.81 36 I 7.32 4.40 1.84 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 1.44 0.57 0.90 0.00 0.00 37 S 8.11 4.43 0.00 4.00 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 38 E 8.88 3.90 0.00 2.05 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 2.37 2.46 0.00 39 E 7.80 3.92 0.00 2.21 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 2.34 2.37 0.00 40 A 7.86 4.04 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.57 0.00 2.04 1.98 1.01 1.20 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 42 R 8.01 4.17 0.00 1.87 1.94 0.00 3.24 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.58 0.00 43 A 8.02 4.25 1.48 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 0.00 0.00 44 D 8.31 4.65 0.00 3.06 2.99 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 45 G 8.62 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 0.00 0.00 0.00 46 F 8.14 4.22 0.00 2.88 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 47 G 7.17 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 0.00 0.00 0.00 48 D 7.44 4.39 0.00 2.54 2.57 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 49 N 7.77 4.88 0.00 2.34 2.41 0.00 0.00 6.93 8.02 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 50 P 0.00 4.66 0.00 1.97 1.74 0.00 3.25 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.74 0.00 51 F 8.23 4.85 0.00 3.25 3.11 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 52 Y 6.78 4.88 0.00 3.21 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 53 H 7.85 4.73 0.00 2.45 2.90 0.00 5.65 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 7.92 5.27 0.00 3.08 3.23 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 55 L 8.95 5.28 0.00 1.67 1.72 0.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.58 4.67 2.16 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 0.78 0.00 0.00 1.07 0.00 0.00 57 A 8.47 4.00 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 58 E 8.76 5.11 0.00 1.96 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 0.00 2.18 2.24 0.00 59 I 8.23 4.20 1.77 0.00 0.00 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 0.93 0.40 0.94 0.00 0.00 60 L 8.53 4.96 0.00 1.43 1.59 0.92 0.85 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 *68 G 7.80 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 69 P 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0.00 0.00 0.00 0.00 1.42 1.51 7.81 86 G 7.70 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.91 4.29 0.00 2.12 2.07 0.00 3.22 0.00 0.00 3.38 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.87 0.00 88 T 8.87 5.22 4.38 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 1.34 0.00 0.00 89 I 8.46 4.72 1.82 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.81 0.71 0.00 0.00 90 Y 8.78 4.71 0.00 2.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.26 4.25 0.00 1.58 1.40 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.78 4.58 0.00 2.26 1.53 0.00 0.00 0.00 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 2.48 0.00 93 D 9.62 4.52 0.00 2.78 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 I 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 8.12 4.55 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.33 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 147 D 8.33 4.60 0.00 2.71 2.57 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 0.00 148 L 8.05 3.55 0.00 1.60 1.78 0.60 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 149 T 7.96 4.26 4.54 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 1.28 0.00 0.00 150 E 8.22 4.25 0.00 1.99 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 2.52 0.00 151 A 8.66 4.39 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 0.00 152 E 8.20 4.49 0.00 2.47 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 0.00 2.27 2.37 0.00 153 G 8.34 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 0.00 0.00 0.00 0.00 154 W 8.36 4.01 0.00 3.29 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 H 8.69 4.82 0.00 3.19 3.44 0.00 5.74 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 F 8.69 4.53 0.00 3.14 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 0.00 157 F 8.79 4.63 0.00 3.05 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 0.00 158 C 8.12 4.92 0.00 2.97 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 0.00 159 F 8.98 4.98 0.00 3.01 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 0.00 160 Q 8.17 4.59 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.88 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 161 G 8.52 3.82 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 0.00 0.00 0.00 162 E 9.01 3.86 0.00 2.01 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 2.43 2.39 0.00 163 A 7.90 4.12 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 T 8.37 3.74 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 165 R 7.87 3.93 0.00 1.88 2.00 0.00 3.36 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 166 K 8.56 4.11 0.00 1.95 1.88 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.71 7.81 167 L 7.82 4.09 0.00 1.43 1.68 0.76 -0.07 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 0.00 168 A 7.75 4.10 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 G 9.11 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.