NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2458 8.3444 119.6890 55.7584 30.0613 173.7915 2 N 4.6631 8.7349 121.7368 51.2510 40.3286 171.9936 3 L 4.6054 8.1878 126.1869 52.1627 44.2377 174.3895 4 P 4.3155 0.0000 0.0000 62.4899 31.8301 175.7212 5 Q 4.1512 8.4195 120.9076 56.3305 29.2718 175.1638 6 R 4.7271 8.5286 125.5975 54.5093 34.2813 174.8156 7 Y 5.1538 8.9968 118.6758 56.6771 42.1301 174.2872 8 I 4.4181 8.4969 125.7950 60.1013 39.4787 174.9346 9 E 4.6744 9.4653 127.4582 55.0271 30.5656 174.4400 10 L 5.0329 8.6713 127.8270 53.4673 44.3623 175.2212 11 V 5.0648 8.5617 125.3784 60.1987 34.4487 174.0052 12 V 4.7593 8.4350 127.4789 61.2284 34.0280 174.1385 13 V 4.8260 8.8226 127.9261 61.2315 33.7157 173.8714 14 A 5.1090 8.9643 131.4585 50.6021 20.6499 176.4848 15 D 4.8942 8.5916 122.5636 52.6919 41.1815 177.0227 16 H 4.4230 9.3472 118.2553 59.8353 29.3468 177.3936 17 R 4.0131 8.0343 118.5701 59.0652 30.2752 178.6773 18 V 3.8580 8.2660 118.3936 65.7686 31.5483 177.8428 19 F 4.1687 8.2276 120.0432 61.6889 39.1293 176.7376 20 M 4.1468 8.3787 116.8578 57.2040 31.7968 178.4248 21 K 3.9365 7.4861 119.3344 59.1580 32.8686 177.8339 22 Y 4.3364 7.6983 115.6276 57.8124 39.3828 174.7740 23 N 4.1289 8.8509 114.3622 55.2758 37.4428 173.9154 24 S 2.7900 7.4776 107.5313 58.6144 61.7601 172.1705 25 D 4.5875 7.5064 120.7384 53.0034 40.8320 177.2051 26 L 4.1977 8.4718 128.1566 57.6702 41.6613 179.0418 27 N 4.2995 8.2642 116.2115 56.7476 38.5289 177.3619 28 T 3.8442 7.7807 116.5002 66.6358 68.6074 176.7792 29 I 3.3798 7.2655 120.7990 64.0689 37.0794 178.4670 30 R 3.8529 8.2087 119.9400 59.8140 30.0474 178.7293 31 T 4.0390 8.0713 115.1908 65.9888 68.5099 177.3565 32 R 3.9184 7.7154 120.5929 59.2179 30.1642 179.1006 33 V 3.6025 7.6587 118.0711 66.1498 31.0885 177.4488 34 H 4.1500 8.2027 118.0492 59.3991 29.7780 177.0983 35 E 3.8740 7.8540 119.5233 59.0345 29.3367 179.2239 36 I 3.8977 7.6718 119.6291 64.4480 37.1218 178.6024 37 V 3.6322 7.8517 119.0698 66.0183 31.2292 177.7208 38 N 4.1944 7.6937 115.7448 56.3853 38.4261 177.4098 39 F 4.0042 7.8125 118.7855 60.2393 38.9285 177.8244 40 I 3.8130 7.7374 119.4954 64.6322 36.7961 178.0341 41 N 4.5370 8.6103 117.7956 56.5588 38.1294 177.7220 42 G 3.6541 7.5779 105.8366 47.7439 0.0000 175.5815 43 F 4.7715 7.5506 118.8831 60.3469 39.3535 176.5813 44 Y 4.5494 8.3712 114.3659 58.5693 37.7634 177.4449 45 R 4.0431 7.8228 119.5798 59.7257 30.0049 178.9619 46 S 4.2500 8.2500 113.1587 60.7824 62.9684 175.4971 47 L 4.5441 7.6662 118.3554 53.4527 42.3706 175.8371 48 N 4.2727 8.1832 116.1667 54.7809 36.3574 173.5080 49 I 4.9086 7.8379 117.0781 59.6575 40.3798 174.9882 50 H 5.0607 8.7283 126.1736 54.3518 32.3852 172.5520 51 V 4.6444 9.1614 126.1031 61.3481 33.0845 174.8648 52 S 4.6900 8.6028 123.6549 56.6883 65.8141 173.4975 53 L 4.7266 8.4909 126.5251 54.6292 40.6554 176.1530 54 T 4.1372 8.8573 123.0422 66.2365 69.1370 174.3228 55 D 4.6222 7.7315 117.9096 53.0515 44.8898 173.9452 56 L 4.9881 8.5000 125.4155 53.4873 44.5065 175.2798 57 E 4.5651 9.0856 127.3618 55.0576 31.2080 175.2793 58 I 4.7373 8.2378 125.8807 59.2542 39.1900 176.9619 *59 W 4.2751 8.6945 129.5617 55.6599 25.8741 176.4376 60 S 2.7900 7.8859 117.9114 60.3716 62.8824 176.2157 61 N 4.3933 7.6405 118.5968 54.6144 39.2169 174.0650 62 E 4.5530 7.2550 113.8050 54.4808 32.6886 174.3839 63 D 4.5409 8.3608 119.7810 54.6410 41.4348 176.8415 64 Q 4.3130 8.5952 120.9665 56.5554 29.5244 175.4897 65 I 4.5759 7.3268 109.5739 58.4057 40.6671 174.5680 66 N 4.4638 8.5505 119.6480 52.7456 38.2098 174.7251 67 I 4.0353 8.2563 127.9698 61.0019 37.2304 175.6524 68 Q 4.7994 8.1024 123.9235 53.6484 32.0528 176.3467 69 S 4.0699 8.6472 115.7617 61.5402 63.1868 174.1235 70 A 4.4250 7.9227 123.0416 51.9328 18.6153 177.6782 71 S 4.0809 8.7834 120.7055 62.8315 62.9860 177.0683 72 S 4.1736 8.0369 118.1457 61.2449 62.4757 176.2580 73 D 4.3906 8.0381 121.2094 57.7418 40.6780 178.7935 74 T 4.0171 7.8460 115.9900 66.0811 68.4181 176.8535 75 L 4.0449 8.0379 122.4935 58.4642 42.1430 178.9249 76 N 4.4407 8.2158 115.8480 55.9263 38.3859 177.3550 77 A 4.1601 7.9134 122.5200 54.9691 18.6409 179.4335 78 F 4.3649 8.5701 118.9533 61.0037 39.1391 177.3770 79 A 3.9307 8.1546 121.0669 55.0219 18.1179 179.3216 80 E 3.9637 7.8299 114.2490 58.5082 29.7286 179.1177 *81 W 3.8556 7.4910 128.6051 60.2411 30.3998 177.9109 82 R 3.6896 7.6325 118.6619 59.3061 29.1362 178.1216 83 E 3.8906 7.6537 118.4374 58.9809 29.7604 178.0889 84 T 4.2295 7.5013 108.4043 63.6750 69.6937 174.2967 85 D 4.4022 8.5584 121.3087 54.8231 42.3777 177.6008 86 L 3.9394 8.0962 119.3687 58.1753 42.9086 179.4489 87 L 4.2863 8.2402 120.3400 58.1642 42.0437 177.7404 88 N 4.7126 7.8203 113.4203 53.6454 38.6928 175.3907 89 R 4.3923 7.5961 116.4756 56.5894 32.5733 175.8820 90 K 4.3735 8.4363 118.4921 54.1182 34.0768 175.3246 91 S 4.3291 8.7506 121.9749 58.2912 62.2030 172.4353 92 H 4.9952 8.3481 121.9739 54.5822 31.6029 172.7626 93 D 4.6716 8.8787 119.3923 55.9447 41.8052 176.9254 94 N 5.3321 8.0198 114.9469 51.7189 43.4245 172.7481 95 A 5.3217 8.7183 125.0962 50.4508 21.9681 174.7471 96 Q 5.0800 9.2249 122.3924 54.1745 31.5098 174.5685 97 L 4.5164 8.4667 126.7863 53.7480 43.9738 174.8912 98 L 4.8383 9.1169 129.5337 54.1620 43.1594 174.8718 99 T 5.2073 9.0760 121.4049 59.4371 70.2556 174.3475 100 A 4.6623 8.7555 127.2505 51.7727 19.7442 176.5662 101 I 3.9507 7.2442 117.4670 60.5215 38.7149 175.4752 102 E 4.1570 8.5248 127.5530 55.3097 29.1367 176.4271 103 L 4.3397 8.5880 127.1168 54.5743 42.2220 177.2717 104 D 3.8595 7.8765 114.4522 56.7313 40.0213 176.2071 105 E 4.2329 7.0513 119.9462 55.9426 30.8522 176.0624 106 E 3.7745 7.5627 111.7511 57.2878 27.1084 175.3684 107 T 4.3241 7.7138 114.2684 63.0462 70.0268 175.3052 108 L 4.6308 8.1181 124.1562 54.6267 43.7991 176.0035 109 G 4.3168 7.7569 102.9208 46.4342 0.0000 172.8949 110 L 4.6849 8.4624 121.9336 53.9631 46.0344 173.7028 111 A 4.9152 8.2697 125.6477 50.2343 21.7978 174.1756 112 P 4.4034 0.0000 0.0000 62.4120 32.9311 175.1881 113 L 4.4819 8.5122 124.8985 54.4888 43.1615 176.6321 114 G 3.8184 8.2940 115.0062 47.5177 0.0000 173.6524 115 T 4.4903 7.2386 103.8810 60.8458 69.8067 173.2082 116 M 4.1339 7.5363 122.2747 58.0475 32.2495 175.6696 117 C 4.1088 8.8834 123.7924 56.4390 37.8270 173.3594 118 D 4.6143 7.9351 120.6506 53.3043 41.3076 175.3710 119 P 4.2250 0.0000 0.0000 64.6762 31.8451 176.8446 120 K 4.2517 8.3045 118.3808 57.3775 33.5183 176.3667 121 L 4.4514 8.1988 115.4713 54.7239 42.3780 177.3342 122 S 4.4684 7.4609 116.5478 57.1948 60.8383 171.2920 123 I 5.5384 6.3310 114.4836 58.6941 41.7724 175.8518 124 G 4.3029 8.2821 105.8069 46.5258 0.0000 172.3025 125 I 4.9890 9.0243 121.8840 59.1886 40.6149 175.0576 126 V 4.7438 8.6808 125.8100 61.2325 34.6149 173.7983 127 Q 4.7107 8.7809 129.6249 55.1361 30.2555 175.7100 128 D 4.7639 9.0630 127.3509 53.9556 39.2840 174.8682 129 H 4.8489 8.4323 117.8764 54.6990 30.5718 175.2565 130 S 4.6525 7.4817 114.0742 55.8510 64.9604 171.4960 131 P 4.5067 0.0000 0.0000 63.4400 31.6910 176.3013 132 I 4.2491 7.3838 122.2755 60.1954 38.2292 176.0139 133 N 4.3774 8.8386 123.5855 55.9989 38.3755 177.1681 134 L 2.8493 7.5193 121.3721 57.9069 42.2937 178.8641 135 L 3.8105 7.6665 118.3397 57.9873 41.6577 179.3245 136 M 4.1704 7.8908 118.7064 57.9863 31.8191 179.0002 137 G 3.7145 7.9827 106.2605 47.6665 0.0000 176.3967 138 V 3.5531 7.7531 114.7791 64.3147 31.3089 178.7699 139 T 3.8168 7.8386 115.5779 66.9465 68.4612 176.4028 140 M 4.1206 8.0493 119.2693 58.3186 32.2990 178.0903 141 A 4.3677 8.2917 121.2557 55.0480 18.6700 179.1285 142 H 4.0755 8.7338 117.4686 59.6693 29.4890 177.4953 143 E 4.2009 8.1584 120.3317 59.1829 29.1710 179.2116 144 L 4.4101 8.1724 118.8829 57.2441 41.6181 179.6259 145 G 3.5974 8.1043 106.1002 48.0264 0.0000 175.5186 146 H 4.5381 7.9487 119.7875 58.2696 28.8565 177.6840 147 N 4.4849 7.9386 119.1151 54.9384 37.6861 176.1111 148 L 3.4063 7.2935 119.4184 54.3031 41.8019 177.9329 149 G 3.9230 7.7370 104.9019 46.0692 0.0000 173.7971 150 M 3.9927 7.9284 120.3580 54.2523 32.6970 175.9904 151 E 4.5065 6.5839 122.3372 54.3306 32.0615 175.1364 152 H 4.7520 8.2944 116.7776 56.7077 29.5994 175.2165 153 D 4.9316 8.6355 121.5544 52.6642 43.2231 176.3844 154 G 3.7723 8.5318 106.3949 46.2825 0.0000 174.0452 155 K 4.0932 8.8814 121.6480 59.1364 32.3192 177.1887 156 D 4.8462 7.7058 117.2766 52.4640 40.5955 174.6623 157 C 4.6632 7.8847 121.0225 55.0783 45.1597 172.3302 158 L 5.1294 8.2644 125.8327 53.1711 44.5812 176.6675 159 R 4.4149 8.6496 124.3830 54.3447 30.3026 176.3747 160 G 4.1601 8.0690 115.2435 45.8201 0.0000 173.2735 161 A 4.2049 8.5000 126.1041 52.9885 19.2922 177.7279 162 S 4.4772 7.4629 112.3903 57.5047 64.2163 173.3384 163 L 4.5140 7.5579 124.0008 54.1871 42.7311 175.8681 164 C 4.7490 8.3457 121.3318 57.1814 40.1039 174.3750 165 I 3.3588 8.1920 124.6002 63.6774 37.4036 176.6320 166 M 4.4359 7.7685 120.7577 55.3937 32.4228 176.2527 167 R 4.3734 7.7499 118.1074 55.3662 30.7799 175.8836 168 P 4.1455 0.0000 0.0000 64.1734 31.6289 176.4802 169 G 4.0565 7.2368 106.3473 44.1113 0.0000 172.4803 170 L 4.1545 8.3501 124.6342 54.4150 42.4410 176.0275 171 T 4.5077 8.2868 123.3438 61.0617 70.1309 174.4361 172 K 4.0943 8.7238 126.4749 57.0965 32.8337 176.2703 173 G 3.9717 8.4935 111.8488 44.5351 0.0000 171.3323 174 R 4.5832 8.2707 115.3216 55.8109 31.4983 176.0061 175 S 4.8002 7.3011 112.7573 56.8288 65.8810 172.0725 176 Y 4.7863 8.7093 122.9135 56.4569 41.7494 174.1797 177 E 4.6886 8.5579 120.0257 54.9023 34.8509 174.1267 178 F 4.7895 8.5692 120.0550 56.3970 40.5860 176.5307 179 S 4.5641 8.7048 117.7775 57.4311 64.6289 174.8499 180 D 4.4393 8.7481 119.7054 57.6076 40.3220 178.6053 181 D 4.2771 8.1521 118.7787 57.7723 40.8779 179.0616 182 S 4.4707 7.9957 115.0596 61.9314 62.6505 176.5323 183 M 4.2185 8.0621 120.5471 58.7885 31.9594 177.9444 184 H 4.2430 8.5019 116.5247 58.5488 28.9520 177.2888 185 Y 4.2541 8.3612 119.1830 61.4168 37.7536 178.0705 186 Y 4.6273 8.0877 121.3580 59.9058 38.9088 177.5116 187 E 3.6610 8.0203 119.8629 59.4307 29.5772 179.1986 188 R 3.8990 8.0012 118.5811 59.3424 30.1139 178.0991 189 F 4.2579 8.2082 120.3625 61.4271 39.4924 177.1216 190 L 3.7516 7.7869 118.3316 57.7975 41.1891 179.7795 191 K 3.9493 7.6327 116.9752 59.1953 31.9858 178.9238 192 Q 3.9944 8.1178 119.2224 58.7682 29.2154 176.7576 193 Y 4.1862 7.8336 115.4048 56.8075 39.7977 175.7523 194 K 3.7482 7.6590 118.0528 56.5459 30.0962 174.1108 195 P 4.2853 0.0000 0.0000 62.9216 32.1907 177.1177 196 Q 4.1508 8.8421 125.3660 58.8601 29.3517 176.6210 197 C 4.3642 8.2960 111.4385 57.5394 40.3413 173.9865 198 I 4.7706 7.6794 112.8592 60.0494 37.4330 176.8297 199 L 4.5442 7.6755 122.4803 55.7308 42.5473 176.4962 200 N 4.6704 7.9960 116.1570 51.0404 38.5531 174.5358 201 K 2.8800 8.0914 123.7167 54.9139 32.6721 174.7568 202 P 4.3692 0.0000 0.0000 62.8416 31.2357 176.2003 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 Q 8.34 4.25 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 2 N 8.73 4.66 0.00 2.73 2.70 0.00 0.00 7.13 6.89 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 3 L 8.19 4.61 0.00 1.74 1.68 1.01 1.32 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 4 P 0.00 4.32 0.00 2.16 2.05 0.00 3.74 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 5 Q 8.42 4.15 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.81 0.00 0.00 0.00 0.00 0.00 2.34 1.88 0.00 6 R 8.53 4.73 0.00 1.72 1.83 0.00 3.45 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 7 Y 9.00 5.15 0.00 2.98 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 8 I 8.50 4.42 1.78 0.00 0.00 0.59 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 0.77 0.88 0.00 0.00 9 E 9.47 4.67 0.00 2.09 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 2.26 2.26 0.00 10 L 8.67 5.03 0.00 1.77 1.68 0.98 0.61 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 11 V 8.56 5.06 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 1.34 0.00 0.00 0.85 0.00 0.00 12 V 8.43 4.76 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 0.92 0.00 0.00 0.95 0.00 0.00 13 V 8.82 4.83 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 1.04 0.00 0.00 1.16 0.00 0.00 14 A 8.96 5.11 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 15 D 8.59 4.89 0.00 3.00 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 16 H 9.35 4.42 0.00 3.32 3.40 0.00 5.61 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.03 4.01 0.00 2.13 2.00 0.00 3.27 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 18 V 8.27 3.86 2.35 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 1.17 0.00 0.00 1.14 0.00 0.00 19 F 8.23 4.17 0.00 3.20 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 20 M 8.38 4.15 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.64 0.00 21 K 7.49 3.94 0.00 1.85 1.69 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.74 1.20 7.81 22 Y 7.70 4.34 0.00 2.99 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 23 N 8.85 4.13 0.00 2.72 2.77 0.00 0.00 7.26 7.63 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 24 S 7.48 2.79 0.00 3.88 3.61 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 25 D 7.51 4.59 0.00 2.75 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 26 L 8.47 4.20 0.00 1.82 1.76 1.14 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.26 4.30 0.00 2.88 2.85 0.00 0.00 7.18 7.05 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 28 T 7.78 3.84 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 1.21 0.00 0.00 29 I 7.27 3.38 1.97 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.81 0.85 0.00 0.00 30 R 8.21 3.85 0.00 2.13 2.02 0.00 3.08 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 31 T 8.07 4.04 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 1.20 0.00 0.00 32 R 7.72 3.92 0.00 1.85 1.84 0.00 2.96 0.00 0.00 2.79 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.36 0.00 33 V 7.66 3.60 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 1.00 0.00 0.00 0.91 0.00 0.00 34 H 8.20 4.15 0.00 3.39 3.27 0.00 5.83 0.00 0.00 0.00 0.00 6.93 0.00 0.00 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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 L 8.46 4.68 0.00 1.78 1.48 0.91 1.12 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 0.00 111 A 8.27 4.92 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 0.00 112 P 0.00 4.40 0.00 2.22 1.98 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 113 L 8.51 4.48 0.00 1.57 1.53 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.29 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 0.00 115 T 7.24 4.49 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 1.24 0.00 0.00 116 M 7.54 4.13 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.64 0.00 117 C 8.88 4.11 0.00 3.15 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 0.00 118 D 7.94 4.61 0.00 2.86 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 0.00 119 P 0.00 4.23 0.00 2.20 2.15 0.00 3.79 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 120 K 8.30 4.25 0.00 1.96 1.96 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.28 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.30 1.53 7.81 121 L 8.20 4.45 0.00 1.81 1.68 0.93 0.77 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 0.00 122 S 7.46 4.47 0.00 4.22 3.74 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 0.00 123 I 6.33 5.54 2.16 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 1.40 2.05 0.86 0.00 0.00 124 G 8.28 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 0.00 125 I 9.02 4.99 1.93 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 1.03 0.96 0.86 0.00 0.00 126 V 8.68 4.74 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 1.04 0.00 0.00 0.95 0.00 0.00 127 Q 8.78 4.71 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.05 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 128 D 9.06 4.76 0.00 2.75 2.64 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 0.00 129 H 8.43 4.85 0.00 3.23 3.39 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 7.48 4.65 0.00 3.82 3.62 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 0.00 131 P 0.00 4.51 0.00 2.25 2.17 0.00 3.81 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 1.99 1.99 0.00 132 I 7.38 4.25 1.85 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 1.53 1.39 0.88 0.00 0.00 133 N 8.84 4.38 0.00 2.97 3.12 0.00 0.00 6.72 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 0.00 134 L 7.52 2.85 0.00 1.14 1.40 0.44 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.67 3.81 0.00 1.67 1.68 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 136 M 7.89 4.17 0.00 1.95 2.19 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.68 0.00 137 G 7.98 3.71 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 0.00 0.00 0.00 138 V 7.75 3.55 1.34 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 -0.27 0.00 0.00 0.62 0.00 0.00 139 T 7.84 3.82 4.39 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 1.24 0.00 0.00 140 M 8.05 4.12 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 141 A 8.29 4.37 1.61 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 0.00 0.00 142 H 8.73 4.08 0.00 3.26 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.16 4.20 0.00 2.04 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 2.66 2.70 0.00 144 L 8.17 4.41 0.00 2.09 1.78 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.10 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 0.00 0.00 0.00 0.00 146 H 7.95 4.54 0.00 3.39 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 N 7.94 4.48 0.00 2.86 2.76 0.00 0.00 6.54 8.09 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 0.00 148 L 7.29 3.41 0.00 1.59 1.55 0.57 1.32 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 0.00 149 G 7.74 3.92 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 0.00 0.00 0.00 150 M 7.93 3.99 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.76 0.00 151 E 6.58 4.51 0.00 1.16 1.66 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 2.06 2.00 0.00 152 H 8.29 4.75 0.00 3.06 3.25 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 D 8.64 4.93 0.00 2.56 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 0.00 154 G 8.53 3.77 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 0.00 0.00 0.00 155 K 8.88 4.09 0.00 1.72 1.87 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.48 7.81 156 D 7.71 4.85 0.00 2.64 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 0.00 157 C 7.88 4.66 0.00 3.10 2.93 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 0.00 158 L 8.26 5.13 0.00 1.58 1.61 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 159 R 8.65 4.41 0.00 1.81 1.76 0.00 3.21 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 160 G 8.07 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 0.00 161 A 8.50 4.20 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 0.00 162 S 7.46 4.48 0.00 4.13 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 0.00 163 L 7.56 4.51 0.00 1.30 1.46 0.46 0.70 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 0.00 164 C 8.35 4.75 0.00 2.82 3.16 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 0.00 165 I 8.19 3.36 0.71 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 -0.04 0.40 0.00 0.00 166 M 7.77 4.44 0.00 2.06 2.27 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.69 0.00 167 R 7.75 4.37 0.00 1.84 1.81 0.00 3.19 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.76 0.00 168 P 0.00 4.15 0.00 2.12 2.07 0.00 3.74 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 1.94 1.94 0.00 169 G 7.24 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 0.00 170 L 8.35 4.15 0.00 1.51 1.52 0.91 0.88 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 0.00 171 T 8.29 4.51 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 1.18 0.00 0.00 172 K 8.72 4.09 0.00 1.88 1.87 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.39 7.81 173 G 8.49 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 0.00 174 R 8.27 4.58 0.00 1.74 1.94 0.00 3.16 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 175 S 7.30 4.80 0.00 3.81 3.53 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 0.00 0.00 0.00 176 Y 8.71 4.79 0.00 1.93 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 0.00 0.00 0.00 177 E 8.56 4.69 0.00 1.84 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 2.26 2.28 0.00 178 F 8.57 4.79 0.00 2.91 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 0.00 179 S 8.70 4.56 0.00 4.05 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 0.00 180 D 8.75 4.44 0.00 2.72 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 0.00 181 D 8.15 4.28 0.00 2.77 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 0.00 182 S 8.00 4.47 0.00 4.21 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 0.00 183 M 8.06 4.22 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.63 0.00 184 H 8.50 4.24 0.00 3.29 3.27 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 Y 8.36 4.25 0.00 3.22 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 0.00 186 Y 8.09 4.63 0.00 3.02 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 0.00 187 E 8.02 3.66 0.00 2.13 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 2.31 2.45 0.00 188 R 8.00 3.90 0.00 2.10 2.07 0.00 3.20 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 189 F 8.21 4.26 0.00 3.39 3.32 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 0.00 190 L 7.79 3.75 0.00 1.71 1.54 0.61 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 191 K 7.63 3.95 0.00 1.86 1.83 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.37 7.81 192 Q 8.12 3.99 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 1.86 2.22 0.00 193 Y 7.83 4.19 0.00 2.33 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 0.00 194 K 7.66 3.75 0.00 1.82 1.78 0.00 1.55 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.38 7.81 195 P 0.00 4.29 0.00 2.11 2.09 0.00 3.56 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.83 0.00 196 Q 8.84 4.15 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 197 C 8.30 4.36 0.00 3.22 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 0.00 198 I 7.68 4.77 1.93 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 1.62 2.20 0.97 0.00 0.00 199 L 7.68 4.54 0.00 1.79 1.83 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 200 N 8.00 4.67 0.00 2.78 2.82 0.00 0.00 6.00 7.13 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 0.00 201 K 8.09 2.88 0.00 1.15 1.45 0.00 1.64 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.07 0.65 7.81 202 P 0.00 4.37 0.00 2.06 1.93 0.00 3.62 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 * Residues marked with a * may have inaccurate shift predictions.