NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4822 8.1927 116.8002 58.4061 64.1824 174.0873 3 Q 3.8206 8.6107 127.5367 57.0563 28.9922 176.1244 4 S 4.0937 8.8910 116.3203 61.7535 63.2869 175.8052 5 N 4.3755 8.1408 119.6970 55.7841 38.2568 177.1870 6 R 3.9084 7.6380 119.6365 59.3530 30.1269 178.1583 7 E 3.8222 8.0360 118.7636 59.0616 29.6382 178.5312 8 L 3.7582 7.8620 120.2504 58.0924 42.0974 178.6993 9 V 3.9170 7.9619 118.2259 66.4811 31.3341 178.0460 10 V 3.0879 7.9581 117.7879 65.8287 31.2145 177.3975 11 D 4.1946 8.3534 118.1141 57.3552 41.0838 178.1060 12 F 4.0039 8.3425 121.1041 61.2021 39.3689 177.1896 13 L 4.1889 8.4782 118.9744 57.9368 41.3856 179.6402 14 S 4.3974 8.4050 115.4062 61.6630 62.7564 175.8519 15 Y 3.9170 8.0497 122.3168 60.7412 38.5741 178.4032 16 K 3.7201 7.9433 120.2082 59.2894 32.2870 178.6836 17 L 4.1853 8.1652 119.3975 57.8983 41.6159 179.3019 18 S 4.5019 8.4180 113.2743 61.7824 62.0770 176.0425 19 Q 3.8313 7.7302 120.5497 58.4801 28.7645 177.4209 20 K 4.4429 7.7025 116.3649 55.9212 32.4649 177.0987 21 G 3.8419 7.9438 107.9269 45.3103 0.0000 173.0410 22 Y 4.7421 7.8786 116.5956 55.4168 40.6371 175.4867 23 S 3.8426 8.5068 116.2681 58.0799 62.9398 173.7115 24 W 4.8447 7.6101 122.6811 56.6068 28.8452 177.2650 25 S 4.5583 7.2032 116.7992 58.3384 60.6978 174.1075 26 Q 4.4478 7.5041 115.7216 55.3141 31.9453 176.9506 27 F 4.7244 7.4181 114.4272 56.8391 38.2581 176.8483 *82 P 4.1587 0.0000 0.0000 63.7606 32.3682 176.4215 83 M 3.9569 8.5584 121.4735 58.2871 32.2721 177.9412 84 A 3.8962 7.9483 120.4712 55.1669 18.6213 179.3404 85 A 3.9812 7.8916 118.7634 55.0205 18.5622 179.8860 86 V 3.6335 7.4724 115.9895 66.0510 31.5210 178.3655 87 K 3.7543 8.0453 118.3260 59.4602 31.9021 179.1317 88 Q 3.7731 8.0767 119.4182 59.0597 28.9262 177.8533 89 A 4.0338 8.0903 121.8335 55.2796 18.3534 179.4394 90 L 4.0598 8.1573 118.6677 58.2170 42.1526 179.1072 91 R 3.5772 8.0026 118.2392 59.4077 29.8503 178.8198 92 E 4.0237 8.1499 117.7884 59.3670 29.3766 179.3534 93 A 4.3133 8.5264 121.2330 55.2338 18.4035 179.8858 94 G 4.0120 8.6310 104.4142 48.2059 0.0000 175.6585 95 D 4.5644 8.4307 121.2339 57.3039 40.7728 178.6008 96 E 4.0811 8.6834 119.3669 59.4843 29.4300 179.2580 97 F 4.2311 8.9059 120.9206 61.5892 39.3535 177.0967 98 E 4.4258 8.7099 116.8926 59.1714 29.3406 178.9518 99 L 4.1753 7.8112 118.5341 57.4192 41.7202 179.1128 100 R 3.9922 7.5607 117.9802 57.9035 30.2877 175.9572 101 Y 4.4941 7.4688 118.4851 56.3008 38.2022 175.6265 102 R 4.2722 8.3254 124.8003 57.5601 30.9918 178.8395 103 R 4.0203 8.0745 113.3036 56.4107 29.5285 176.2838 104 A 4.2356 8.0624 120.2003 54.1278 16.7223 176.9212 105 F 3.9372 7.9986 113.1821 59.5998 37.5103 178.2023 106 S 4.2291 8.0349 118.3178 62.4492 62.6294 176.3851 107 D 4.4562 8.1220 120.6441 57.0652 40.6724 178.4587 108 L 4.0300 8.0301 120.8818 58.2911 42.2743 178.9077 109 T 4.1700 8.5938 110.0943 65.0133 68.4384 176.7544 110 S 4.2212 7.9238 116.8751 61.4346 62.9173 176.0619 111 Q 4.1232 8.0250 121.5008 58.9644 28.8333 177.7574 112 L 4.0590 7.9648 120.8065 56.7441 43.1858 176.4991 113 H 3.9630 8.3206 116.1406 56.9509 28.6282 174.5229 114 I 4.0013 7.5208 118.2996 61.5437 39.0813 174.3540 115 T 4.7275 9.0067 116.0181 59.5764 71.7433 172.9003 116 P 4.3307 0.0000 0.0000 64.7854 31.3710 177.9580 117 G 3.8361 7.7841 106.1977 47.3804 0.0000 174.7425 118 T 3.9494 8.1428 117.5678 63.7575 69.1992 173.6813 119 A 4.8611 8.2531 127.9559 50.3582 21.7975 176.8095 120 Y 2.5493 8.3945 119.7525 60.7620 38.4815 178.5613 121 Q 3.8724 8.0032 118.0885 59.2056 28.7664 179.2054 122 S 4.0385 7.7321 115.5192 61.2482 62.7503 176.4492 123 F 4.0234 7.4659 122.8271 61.2135 39.1731 176.3244 124 E 3.8784 7.9033 119.2315 59.6305 29.0753 178.8736 125 Q 3.9435 7.5843 116.4714 58.8210 29.0014 178.8904 126 V 3.5545 7.4180 118.7240 65.9785 31.6685 178.1537 127 V 2.9721 7.4244 118.2560 65.9695 31.1047 177.3985 128 N 4.7451 8.4605 117.8471 55.7383 38.1128 176.7432 129 E 3.8542 7.8348 119.6392 58.8882 29.6963 178.4077 130 L 3.8851 7.8890 118.1359 55.9003 41.8435 177.3920 131 F 4.8279 7.6585 118.2115 56.7450 39.7740 177.7687 132 R 3.9095 8.2885 121.7926 59.3666 29.8412 177.7106 133 D 4.6962 8.0370 114.4904 53.8622 41.1677 177.2571 134 G 3.8082 7.8794 108.4364 44.5652 0.0000 173.7483 135 V 3.7503 7.5447 118.0413 62.2513 32.1942 175.1868 136 N 3.9795 7.6600 122.3623 49.6509 41.6945 175.5724 137 W 4.7112 8.7258 120.3976 60.2566 29.2425 179.0058 138 G 4.0765 8.6124 104.9928 48.0365 0.0000 175.6425 139 R 4.2198 8.0747 119.6048 58.7430 30.2723 178.9167 140 I 3.9879 7.9336 119.9887 64.3971 37.0605 178.5200 141 V 3.6723 8.1748 118.9405 65.8655 31.2879 177.6133 142 A 3.2813 8.0593 120.8741 55.0569 18.1444 179.0400 143 F 3.9433 8.2732 118.9837 61.7874 39.3162 177.4592 144 F 3.4686 8.0529 116.7480 60.3812 38.4719 177.6996 145 S 4.4384 8.2554 113.0857 61.2054 62.1052 176.0685 146 F 3.6210 8.0895 123.9965 60.8565 39.0446 177.4650 147 G 3.4334 7.7982 105.5778 47.5502 0.0000 175.8272 148 G 3.8236 8.4668 108.1696 47.5825 0.0000 175.4875 149 A 4.0455 8.3392 123.6295 54.9277 18.3322 179.4978 150 L 3.7310 7.7492 118.8238 58.3545 41.9979 179.0842 151 C 4.0131 8.0389 116.7869 62.5544 28.0246 176.1369 152 V 3.0979 7.8521 119.9586 65.8415 31.1962 177.8062 153 E 3.8946 8.3183 118.5559 59.6896 29.3248 179.6626 154 S 4.0528 8.2064 115.3289 61.5016 62.8706 176.9611 155 V 3.4877 7.7489 121.0839 65.9779 30.9866 177.6181 156 D 4.4733 7.8164 117.8248 57.1947 40.7587 178.1776 157 K 4.2762 7.5802 115.4714 55.4924 32.3425 176.5167 158 E 4.0251 7.9206 117.0220 57.3758 27.5257 174.5230 159 M 4.7337 8.0706 116.8672 54.7282 32.7847 178.1830 160 Q 3.9140 8.0149 118.6833 58.7357 28.5340 177.2666 161 V 3.4964 7.7007 113.6594 64.4335 31.7455 177.7788 162 L 3.8980 8.0317 118.7650 57.1066 41.3456 179.5226 163 V 3.4012 7.3645 118.9594 65.9725 31.4395 178.2753 164 S 4.2276 7.6632 113.3128 61.0038 62.8667 176.3234 165 R 3.3934 7.4712 122.0419 59.1512 29.7782 178.2132 166 I 3.0888 7.4775 119.7115 64.1247 37.0600 178.0895 167 A 4.0336 7.9242 121.4193 55.4226 18.1203 179.9141 168 S 4.0890 7.9412 113.4223 61.5781 62.8519 176.8195 169 W 4.5884 8.1655 121.8055 60.3920 28.6772 178.5456 170 M 4.6496 8.6198 118.6452 58.3749 31.3555 178.7263 171 A 4.1242 8.2976 121.0608 55.4242 18.5159 179.5239 172 T 3.8127 8.3185 114.6480 67.2437 68.3845 176.0951 173 Y 4.1023 8.7483 121.3273 60.6330 38.8126 177.7710 174 L 3.8400 8.5735 121.6291 58.1837 42.0139 178.7572 175 N 4.3693 8.1745 115.4641 56.2073 38.5574 176.7953 176 D 4.2753 8.0970 118.4322 57.4305 41.5377 177.2161 177 H 4.4936 8.0406 114.1859 56.0779 30.0250 176.2391 178 L 4.2071 7.3293 119.5446 56.1766 42.7368 178.1737 179 E 3.9440 8.3926 118.8798 58.9921 29.2471 177.5110 180 P 4.1793 0.0000 0.0000 65.4941 31.4154 178.3885 181 W 3.9185 7.9980 126.3724 60.2829 30.7130 177.7861 182 I 3.3294 7.7505 119.8109 64.6167 36.3462 178.5100 183 Q 4.0728 7.9354 117.4573 58.8228 28.5442 178.1623 184 E 3.9749 7.6123 119.8411 58.2812 29.5967 177.4856 185 N 4.6099 6.9726 114.7218 53.0122 39.2480 175.5755 186 G 4.2236 7.8882 106.6348 45.3859 0.0000 175.9516 187 G 3.9714 8.6977 110.8240 44.5338 0.0000 174.6178 188 W 4.4426 8.5998 116.8644 59.4098 28.7822 178.2918 189 D 4.4823 8.3802 119.0518 57.8830 40.3617 178.7348 190 T 3.8195 7.7965 116.2287 66.3542 68.3167 176.2884 191 F 3.2012 7.9489 122.1327 61.0991 39.2867 177.1932 192 V 3.6043 8.2742 117.7785 66.2003 31.1635 177.3330 193 D 4.3473 7.9258 117.3010 57.7402 40.7723 178.9794 194 L 3.9151 7.4665 117.6941 57.1018 41.7396 178.1409 195 Y 4.5305 7.7525 113.6842 57.6531 39.5025 176.0964 196 G 3.7494 8.4306 113.8844 45.6912 0.0000 173.4493 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 2 S 8.19 4.48 0.00 4.12 4.05 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 3 Q 8.61 3.82 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 4 S 8.89 4.09 0.00 4.01 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 5 N 8.14 4.38 0.00 2.84 3.04 0.00 0.00 6.73 7.66 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 6 R 7.64 3.91 0.00 1.99 1.92 0.00 3.27 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 7 E 8.04 3.82 0.00 2.24 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 2.23 2.26 0.00 8 L 7.86 3.76 0.00 1.87 1.72 0.05 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.96 3.92 2.31 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 1.13 0.00 0.00 1.16 0.00 0.00 10 V 7.96 3.09 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 0.28 0.00 0.00 0.67 0.00 0.00 11 D 8.35 4.19 0.00 2.78 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 12 F 8.34 4.00 0.00 3.04 3.31 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 13 L 8.48 4.19 0.00 1.93 1.99 1.09 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.41 4.40 0.00 3.85 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 15 Y 8.05 3.92 0.00 2.96 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 16 K 7.94 3.72 0.00 1.76 1.76 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.56 7.81 17 L 8.17 4.19 0.00 2.13 1.97 1.11 0.55 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 18 S 8.42 4.50 0.00 3.35 3.81 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 19 Q 7.73 3.83 0.00 1.56 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 20 K 7.70 4.44 0.00 2.14 2.00 0.00 1.81 0.00 0.00 1.84 0.00 0.00 3.14 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.46 7.81 21 G 7.94 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 22 Y 7.88 4.74 0.00 3.10 2.84 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 23 S 8.51 3.84 0.00 3.62 3.75 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 24 W 7.61 4.84 0.00 3.64 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.20 4.56 0.00 3.72 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 26 Q 7.50 4.45 0.00 0.96 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.61 6.80 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 27 F 7.42 4.72 0.00 3.04 2.27 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.16 0.00 2.36 2.24 0.00 3.47 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.16 0.00 83 M 8.56 3.96 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.73 0.00 84 A 7.95 3.90 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 85 A 7.89 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.47 3.63 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 0.38 0.00 0.00 1.01 0.00 0.00 87 K 8.05 3.75 0.00 1.88 1.83 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.42 7.81 88 Q 8.08 3.77 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 89 A 8.09 4.03 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.16 4.06 0.00 1.66 1.67 0.49 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.00 3.58 0.00 1.66 0.88 0.00 2.83 0.00 0.00 2.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.41 0.00 92 E 8.15 4.02 0.00 2.24 2.08 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 2.37 2.43 0.00 93 A 8.53 4.31 1.19 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 0.00 0.00 94 G 8.63 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 0.00 0.00 0.00 95 D 8.43 4.56 0.00 3.05 2.87 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 96 E 8.68 4.08 0.00 2.41 2.18 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 2.45 2.57 0.00 97 F 8.91 4.23 0.00 3.46 3.49 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 0.00 0.00 0.00 98 E 8.71 4.43 0.00 2.26 2.20 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 2.74 2.93 0.00 99 L 7.81 4.18 0.00 1.67 1.72 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.56 3.99 0.00 1.44 1.64 0.00 2.94 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.50 0.00 101 Y 7.47 4.49 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.33 4.27 0.00 1.87 1.98 0.00 3.12 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 103 R 8.07 4.02 0.00 2.04 2.18 0.00 3.09 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 104 A 8.06 4.24 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 0.00 105 F 8.00 3.94 0.00 3.54 3.44 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 0.00 106 S 8.03 4.23 0.00 3.90 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 0.00 107 D 8.12 4.46 0.00 2.75 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 0.00 108 L 8.03 4.03 0.00 1.97 1.82 0.82 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.59 4.17 4.44 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 1.38 0.00 0.00 110 S 7.92 4.22 0.00 4.21 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 0.00 111 Q 8.03 4.12 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 112 L 7.96 4.06 0.00 2.06 1.93 1.26 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.32 3.96 0.00 3.32 3.33 0.00 5.81 0.00 0.00 0.00 0.00 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.52 4.00 2.02 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 1.59 1.22 0.94 0.00 0.00 115 T 9.01 4.73 4.27 0.00 0.00 0.00 0.00 0.00 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 0.00 116 P 0.00 4.33 0.00 2.07 2.16 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 117 G 7.78 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 0.00 118 T 8.14 3.95 4.66 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 1.31 0.00 0.00 119 A 8.25 4.86 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 0.00 120 Y 8.39 2.55 0.00 2.65 2.86 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 0.00 0.00 0.00 121 Q 8.00 3.87 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 122 S 7.73 4.04 0.00 3.99 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 0.00 123 F 7.47 4.02 0.00 2.60 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 7.90 3.88 0.00 1.30 1.76 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 2.29 2.45 0.00 125 Q 7.58 3.94 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 126 V 7.42 3.55 1.93 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 0.89 0.00 0.00 0.93 0.00 0.00 127 V 7.42 2.97 1.19 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 0.27 0.00 0.00 -0.08 0.00 0.00 128 N 8.46 4.75 0.00 2.95 2.88 0.00 0.00 6.26 7.35 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 0.00 129 E 7.83 3.85 0.00 2.01 1.76 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 2.22 2.30 0.00 130 L 7.89 3.89 0.00 0.83 0.37 0.70 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.66 4.83 0.00 3.02 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 0.00 132 R 8.29 3.91 0.00 1.73 1.98 0.00 3.14 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 133 D 8.04 4.70 0.00 2.62 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 0.00 134 G 7.88 3.81 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 0.00 0.00 0.00 135 V 7.54 3.75 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 0.00 0.00 -0.27 0.00 0.00 0.37 0.00 0.00 136 N 7.66 3.98 0.00 2.89 2.69 0.00 0.00 6.22 8.88 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 0.00 137 W 8.73 4.71 0.00 3.73 3.75 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 0.00 138 G 8.61 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 0.00 0.00 0.00 139 R 8.07 4.22 0.00 2.02 1.63 0.00 3.11 0.00 0.00 3.36 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 140 I 7.93 3.99 2.40 0.00 0.00 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 1.38 1.17 1.33 0.00 0.00 141 V 8.17 3.67 2.37 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 1.19 0.00 0.00 1.11 0.00 0.00 142 A 8.06 3.28 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 0.00 143 F 8.27 3.94 0.00 3.21 3.34 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 0.00 144 F 8.05 3.47 0.00 2.63 1.45 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 0.00 145 S 8.26 4.44 0.00 4.05 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 0.00 146 F 8.09 3.62 0.00 1.75 2.66 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 0.00 147 G 7.80 3.43 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 0.00 0.00 0.00 0.00 148 G 8.47 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 0.00 149 A 8.34 4.05 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 0.00 0.00 0.00 0.00 0.00 150 L 7.75 3.73 0.00 1.43 1.60 0.82 0.94 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 0.00 151 C 8.04 4.01 0.00 3.18 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 0.00 152 V 7.85 3.10 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 1.04 0.00 0.00 0.97 0.00 0.00 153 E 8.32 3.89 0.00 2.14 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 2.34 2.54 0.00 154 S 8.21 4.05 0.00 3.71 3.98 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 0.00 155 V 7.75 3.49 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 0.98 0.00 0.00 0.79 0.00 0.00 156 D 7.82 4.47 0.00 2.86 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 0.00 157 K 7.58 4.28 0.00 1.85 1.81 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.65 7.81 158 E 7.92 4.03 0.00 2.11 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 2.23 2.35 0.00 159 M 8.07 4.73 0.00 1.90 2.06 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 2.46 2.74 0.00 160 Q 8.01 3.91 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 161 V 7.70 3.50 1.99 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 0.73 0.00 0.00 0.86 0.00 0.00 162 L 8.03 3.90 0.00 1.62 1.52 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.36 3.40 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 0.63 0.00 0.00 0.74 0.00 0.00 164 S 7.66 4.23 0.00 4.09 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 0.00 165 R 7.47 3.39 0.00 1.48 1.37 0.00 2.80 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.19 0.00 166 I 7.48 3.09 1.82 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 1.32 0.23 0.81 0.00 0.00 167 A 7.92 4.03 1.57 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 0.00 168 S 7.94 4.09 0.00 3.91 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 0.00 169 W 8.17 4.59 0.00 2.97 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 0.00 170 M 8.62 4.65 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.57 0.00 171 A 8.30 4.12 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 T 8.32 3.81 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 0.79 0.00 0.00 173 Y 8.75 4.10 0.00 3.71 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.57 3.84 0.00 1.90 2.09 1.18 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.17 4.37 0.00 2.96 2.87 0.00 0.00 7.04 7.62 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 0.00 176 D 8.10 4.28 0.00 2.54 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.04 4.49 0.00 2.38 2.69 0.00 5.68 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.33 4.21 0.00 1.64 1.46 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.39 3.94 0.00 2.11 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 2.57 2.61 0.00 180 P 0.00 4.18 0.00 2.11 2.07 0.00 3.40 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 181 W 8.00 3.92 0.00 3.22 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 0.00 182 I 7.75 3.33 1.82 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 1.24 0.43 0.38 0.00 0.00 183 Q 7.94 4.07 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.00 0.00 0.00 0.00 0.00 0.00 2.66 2.51 0.00 184 E 7.61 3.97 0.00 1.79 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 2.11 2.13 0.00 185 N 6.97 4.61 0.00 1.44 2.16 0.00 0.00 7.27 7.27 0.00 0.00 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 G 7.89 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 0.00 0.00 0.00 0.00 187 G 8.70 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 0.00 188 W 8.60 4.44 0.00 3.49 3.28 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 0.00 189 D 8.38 4.48 0.00 2.77 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 0.00 190 T 7.80 3.82 4.56 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 1.29 0.00 0.00 191 F 7.95 3.20 0.00 2.70 3.43 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 0.00 192 V 8.27 3.60 2.29 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 1.01 0.00 0.00 1.20 0.00 0.00 193 D 7.93 4.35 0.00 2.77 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.47 3.92 0.00 1.42 1.04 0.44 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 195 Y 7.75 4.53 0.00 2.29 2.66 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 0.00 196 G 8.43 3.75 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.