NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 G 3.9172 8.3549 109.7333 44.2410 0.0000 173.2799 -3 P 4.1969 0.0000 0.0000 61.7670 31.7135 175.0643 -2 L 4.0916 8.4406 121.4346 54.6889 43.0512 177.6739 -1 G 3.9368 8.2757 112.6786 44.3962 0.0000 173.4158 0 S 4.3408 8.2602 112.3420 58.0676 64.3857 174.9314 1 M 4.1679 8.5824 126.6371 58.6092 31.7017 179.2762 2 S 4.1756 7.8224 113.2628 61.2478 63.2497 176.5217 3 Q 3.9817 8.0496 121.4459 58.9764 28.6538 178.9690 4 S 4.2196 7.7283 113.3546 61.1287 63.0649 176.2088 5 N 4.3421 8.2007 120.6849 56.0711 38.1601 177.3237 6 R 3.8937 8.1334 119.6334 59.3758 30.2614 178.5370 7 E 3.8252 8.1462 118.8409 59.1795 29.5191 178.5997 8 L 3.8810 7.6990 119.6921 58.1148 42.1076 178.9062 9 V 3.5575 7.7343 118.1026 66.2062 31.3918 178.0686 10 V 2.7864 7.7845 117.9400 65.6591 31.2277 177.3870 11 D 4.1265 7.9283 117.6954 57.2008 41.0388 178.0679 12 F 4.0296 8.2980 121.0655 61.3634 39.3959 177.0918 13 L 4.0466 8.2522 118.8508 57.8004 41.3867 179.4748 14 S 4.2337 8.3011 115.4958 61.8851 62.9251 176.1336 15 Y 4.1774 7.9295 121.7454 60.8720 38.7348 178.4297 16 K 3.9031 7.8047 120.5991 58.7450 32.0949 179.3013 17 L 4.1073 8.2123 119.7394 57.9695 41.6560 179.8203 18 S 4.9844 8.0713 115.3155 60.8821 62.5773 176.3213 19 Q 3.9980 7.8402 120.8955 57.4996 28.0309 177.6409 20 K 4.2562 6.9277 115.4950 55.7205 32.5883 176.9531 21 G 3.6906 7.8682 106.6299 45.7219 0.0000 173.2422 22 Y 4.9796 7.4877 117.9278 56.3211 40.1011 174.6343 23 S 5.0299 8.1978 114.0382 56.3619 66.1312 174.0274 24 W 4.1722 9.2136 133.1214 60.2178 30.8619 175.7754 25 S 4.5566 7.7137 109.6975 57.3715 64.8770 175.9040 26 Q 3.8462 8.5501 122.0325 59.4745 29.1323 177.9929 *83 M 4.2127 8.0848 115.8465 55.4487 34.2445 177.0126 84 A 4.0115 7.9628 119.7293 55.1172 18.4611 179.4697 85 A 4.0201 8.1441 119.4144 55.1632 18.3383 180.1659 86 V 3.6956 7.9712 116.7526 66.1519 31.6748 178.1463 87 K 3.7608 8.1820 118.6112 59.8420 31.9049 179.0196 88 Q 3.9955 8.1174 118.9655 59.0466 28.9393 177.9262 89 A 4.0396 8.1588 122.0018 54.9605 18.3040 179.4329 90 L 4.1768 8.5416 119.3647 58.3379 42.1571 179.3725 91 R 3.9398 8.1797 118.0855 59.2348 30.0192 178.7640 92 E 3.9618 8.4239 118.1000 59.4154 29.4582 179.0112 93 A 4.3139 8.5074 121.1704 55.5496 18.3906 179.9325 94 G 3.7469 8.5427 104.2101 47.9954 0.0000 175.4385 95 D 4.4616 8.2222 121.2945 57.3144 40.9201 178.6843 96 E 3.9717 8.4633 119.6434 59.1416 29.6229 178.3027 97 F 4.3343 8.8151 121.1830 61.7067 39.4622 177.0735 98 E 4.0242 8.8199 118.2120 59.1693 29.0678 178.9575 99 L 3.8660 8.1414 119.6655 58.2152 42.2464 178.8977 100 R 3.7122 8.0300 116.5410 58.7626 30.3725 177.2974 101 Y 4.6042 7.4259 112.4816 57.1333 39.8929 177.5725 102 R 2.9419 7.6070 121.7582 58.7064 30.3450 178.6169 103 R 3.7861 7.7553 113.1459 58.8676 29.2525 177.4731 104 A 4.1968 7.3669 120.3734 53.7344 19.0682 177.1969 105 F 5.1058 6.9465 111.7385 56.4328 38.1755 176.9449 106 S 4.3170 8.3445 116.6698 61.6107 63.5467 174.2624 107 D 4.9094 7.9778 120.1934 54.0904 40.6413 177.4141 108 L 4.7417 8.3811 124.5103 58.2697 41.8140 179.4607 109 T 4.1999 7.9955 108.8157 64.5944 68.9888 176.3683 110 S 4.0911 7.5943 113.0616 61.3507 62.4927 175.8679 111 Q 4.0437 8.2014 119.7785 57.8708 28.2068 178.1662 112 L 4.0598 7.4546 119.6658 55.2726 42.7233 176.2916 113 H 4.0966 7.8529 114.8931 56.5644 26.5227 175.2465 114 I 3.9939 7.4895 111.5680 61.3139 38.8026 176.3006 115 T 4.7529 8.2090 111.1171 58.7488 72.9405 173.0473 116 P 4.4301 0.0000 0.0000 66.1609 31.4539 178.9301 117 G 3.8123 8.1871 102.6396 46.7093 0.0000 174.5934 118 T 4.5200 7.5198 108.8228 61.4807 69.7604 176.1117 119 A 4.1264 8.1164 124.8300 55.6891 18.3937 178.8067 120 Y 2.9904 8.0505 117.2612 60.6715 38.7757 178.0164 121 Q 3.6513 7.9265 119.8465 59.0756 29.2100 178.1781 122 S 4.0590 8.1685 116.2333 61.4468 62.9007 176.3253 123 F 4.2797 8.4656 123.6550 61.4125 39.1311 176.7489 124 E 3.6078 8.0958 119.1904 59.1036 29.3318 178.7254 125 Q 3.7773 7.9480 118.1085 58.9084 28.7313 178.9737 126 V 3.1756 7.3687 119.0136 65.8929 31.4250 178.2708 127 V 3.1190 7.1861 117.8428 65.7390 31.0114 177.6455 128 N 4.2517 7.9127 115.6559 56.4280 38.5387 176.9312 129 E 3.9560 7.9567 119.8716 59.1184 29.2733 178.9593 130 L 3.5618 7.5354 119.7140 57.3523 42.2707 178.2127 131 F 5.0247 7.2274 115.6895 56.1935 39.1003 177.3242 132 R 3.8499 7.4746 121.2434 59.2482 29.8872 176.9788 133 D 4.6623 8.4742 114.3741 52.5030 39.6302 174.9355 134 G 4.1214 6.9709 105.7173 43.9066 0.0000 173.2463 135 V 4.1996 7.6230 119.6140 60.6880 33.4535 174.7415 136 N 4.2757 7.7022 122.5828 49.9167 41.8214 175.3399 137 W 4.7407 8.8540 120.1460 60.2129 29.0862 179.0254 138 G 3.8358 8.5134 105.1722 47.9038 0.0000 175.9418 139 R 3.9275 9.0496 120.7706 58.8303 30.0255 179.1026 140 I 3.9817 8.0906 119.9708 64.5172 37.0840 178.5116 141 V 3.7339 7.9456 118.6702 66.0606 31.2248 177.9611 142 A 3.2296 7.6770 120.4898 54.5507 18.1146 179.2841 143 F 4.0737 8.4520 119.5575 61.5782 39.5116 177.3619 144 F 3.9068 8.3224 117.1624 60.7215 38.7715 177.8176 145 S 4.2700 8.3586 114.8299 61.5236 62.5602 176.5936 146 F 4.3153 8.6221 123.7199 61.2577 39.1269 177.2391 147 G 3.5372 8.0359 105.4290 47.8411 0.0000 175.7496 148 G 3.5967 8.1912 108.1256 47.3906 0.0000 175.6522 149 A 4.0067 8.1023 123.1487 54.8194 18.4214 179.5206 150 L 3.8592 7.8745 119.2671 58.2258 42.0368 179.0828 151 C 4.0623 8.1219 116.9555 62.5855 28.0085 176.1358 152 V 3.5142 7.8466 119.8497 65.9903 31.2080 177.3344 153 E 3.9134 8.5112 119.4336 59.7833 29.3469 179.0944 154 S 4.1309 8.0278 114.7937 61.6216 62.8708 176.9501 155 V 3.6025 7.8813 120.9826 65.9278 31.0423 177.6971 156 D 4.4444 8.2764 118.3045 57.1097 40.6860 178.0070 157 K 4.3654 7.7300 116.1461 55.1862 32.6335 176.5178 158 E 3.8273 8.1004 117.2335 58.3657 28.0266 174.7063 159 M 4.8779 8.3953 113.0408 54.4453 33.0287 177.9793 160 Q 4.1052 7.9267 117.9098 58.5975 28.2084 177.6409 161 V 3.6465 7.8580 114.4193 64.2233 31.4604 177.7820 162 L 4.0570 7.9712 118.5527 56.7605 41.4455 179.2842 163 V 3.4215 7.5813 119.0905 66.0716 31.3984 178.2156 164 S 3.9997 7.8080 113.3249 61.2135 62.7551 176.2919 165 R 3.1031 6.9466 118.5094 58.9061 29.6653 178.9259 166 I 3.0476 7.2052 119.4074 63.9989 37.0280 178.3359 167 A 3.8623 7.6637 121.1904 55.0765 18.2292 179.5457 168 A 3.9287 7.8206 119.3698 55.1352 18.4365 179.8765 169 W 4.4797 7.8144 117.5723 60.2607 28.9825 178.6739 170 M 4.6754 8.5668 118.8561 58.5188 31.3545 178.6703 171 A 4.1599 8.2753 120.8486 55.6238 18.5278 179.8022 172 T 3.8968 8.2782 114.3113 66.9531 68.4829 176.2865 173 Y 3.9849 8.4013 121.4906 60.4807 38.7927 177.6161 174 L 3.8030 8.4959 121.6679 58.1718 41.9863 178.4062 175 N 4.2860 8.1813 115.4963 57.0031 39.0554 176.0855 176 D 4.4357 8.0140 118.3038 55.8197 41.2819 176.8864 177 H 4.5903 7.9577 113.2529 54.5714 30.8904 174.2757 178 L 4.1846 7.3528 117.8458 55.9671 43.4796 177.8775 179 E 3.8265 8.2550 119.3084 58.8792 29.2877 177.0965 180 P 4.1960 0.0000 0.0000 65.1590 31.5808 177.8888 181 W 4.0841 8.0346 126.6897 60.4806 30.4859 177.8021 182 I 3.2648 7.9471 119.9295 64.4272 36.2644 178.1836 183 Q 3.8876 8.1369 117.7760 58.7927 28.6775 178.2758 184 E 4.3158 7.3537 115.9294 56.1286 30.0203 176.1780 185 N 4.5970 7.5380 116.6312 52.8792 39.3349 175.4088 186 G 4.4185 7.8763 106.7091 45.2730 0.0000 175.7451 187 G 3.8993 8.3293 109.6355 44.7026 0.0000 174.2134 188 W 4.5009 8.6218 117.0372 59.8728 28.9325 178.1086 189 D 4.5320 8.4783 118.6129 57.9059 40.2739 178.9850 190 T 3.8540 7.9254 115.5680 66.4039 68.4031 176.3579 191 F 3.3232 7.8118 122.0603 61.0930 39.2448 177.1206 192 V 3.4208 7.9785 117.5390 66.1005 31.1331 177.5629 193 E 3.8844 8.3449 117.2047 59.6615 29.3834 179.1442 194 L 3.9511 7.7504 117.8392 56.5157 41.8863 177.3310 195 Y 4.3229 7.6628 113.8464 57.3577 39.7232 176.3846 196 G 3.6942 8.0305 109.1707 45.8373 0.0000 172.5627 197 N 4.1732 8.6006 114.3287 54.5345 36.3634 174.4438 198 N 4.5884 7.9738 118.1866 53.4980 39.2391 174.8395 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 -4 G 8.35 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 -3 P 0.00 4.20 0.00 2.13 2.00 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 -2 L 8.44 4.09 0.00 1.63 1.60 0.91 0.88 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 -1 G 8.28 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 0 S 8.26 4.34 0.00 3.90 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.58 4.17 0.00 2.06 2.10 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 2.68 2.54 0.00 2 S 7.82 4.18 0.00 4.09 4.12 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 0.00 0.00 0.00 0.00 3 Q 8.05 3.98 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 4 S 7.73 4.22 0.00 4.08 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.20 4.34 0.00 2.77 2.89 0.00 0.00 6.84 7.82 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 6 R 8.13 3.89 0.00 2.04 1.99 0.00 3.34 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 7 E 8.15 3.83 0.00 2.02 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 0.00 2.26 2.28 0.00 8 L 7.70 3.88 0.00 1.91 1.75 0.88 1.02 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 9 V 7.73 3.56 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 1.03 0.00 0.00 0.94 0.00 0.00 10 V 7.78 2.79 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 -0.11 0.00 0.00 0.61 0.00 0.00 11 D 7.93 4.13 0.00 2.83 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 12 F 8.30 4.03 0.00 3.11 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 13 L 8.25 4.05 0.00 1.58 1.85 1.05 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.30 4.23 0.00 3.90 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 15 Y 7.93 4.18 0.00 2.90 2.88 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 16 K 7.80 3.90 0.00 1.68 1.75 0.00 1.58 0.00 0.00 1.16 0.00 0.00 2.77 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.83 1.36 7.81 17 L 8.21 4.11 0.00 1.83 1.92 1.26 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.07 4.98 0.00 4.08 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 19 Q 7.84 4.00 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.02 1.86 0.00 20 K 6.93 4.26 0.00 1.64 1.36 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.27 1.46 7.81 21 G 7.87 3.69 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 0.00 0.00 0.00 22 Y 7.49 4.98 0.00 3.22 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.20 5.03 0.00 4.15 3.86 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 24 W 9.21 4.17 0.00 3.45 3.21 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 25 S 7.71 4.56 0.00 4.04 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 26 Q 8.55 3.85 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.53 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 *83 M 8.08 4.21 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.59 0.00 84 A 7.96 4.01 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 0.00 0.00 0.00 0.00 0.00 85 A 8.14 4.02 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 0.00 0.00 86 V 7.97 3.70 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 0.81 0.00 0.00 1.08 0.00 0.00 87 K 8.18 3.76 0.00 1.97 1.84 0.00 1.78 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.48 7.81 88 Q 8.12 4.00 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 89 A 8.16 4.04 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 90 L 8.54 4.18 0.00 1.87 1.81 0.65 -0.03 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 91 R 8.18 3.94 0.00 2.08 1.99 0.00 3.18 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 92 E 8.42 3.96 0.00 2.30 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 0.00 2.38 2.39 0.00 93 A 8.51 4.31 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 94 G 8.54 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 95 D 8.22 4.46 0.00 3.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.46 3.97 0.00 2.17 2.09 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 2.40 2.44 0.00 97 F 8.82 4.33 0.00 3.37 3.47 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 0.00 0.00 0.00 98 E 8.82 4.02 0.00 2.39 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 2.59 2.75 0.00 99 L 8.14 3.87 0.00 1.64 1.89 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.03 3.71 0.00 1.10 0.66 0.00 3.28 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.37 0.00 101 Y 7.43 4.60 0.00 2.59 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 0.00 102 R 7.61 2.94 0.00 1.84 1.85 0.00 3.23 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.49 0.00 103 R 7.76 3.79 0.00 1.87 1.96 0.00 3.02 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 104 A 7.37 4.20 1.27 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 0.00 0.00 105 F 6.95 5.11 0.00 3.12 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 0.00 106 S 8.34 4.32 0.00 3.99 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 0.00 107 D 7.98 4.91 0.00 2.73 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 0.00 108 L 8.38 4.74 0.00 2.03 1.92 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.00 4.20 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 1.23 0.00 0.00 110 S 7.59 4.09 0.00 3.96 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 0.00 111 Q 8.20 4.04 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 112 L 7.45 4.06 0.00 1.88 1.78 0.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 113 H 7.85 4.10 0.00 3.37 3.35 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.49 3.99 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.44 0.97 0.00 0.00 115 T 8.21 4.75 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 1.32 0.00 0.00 116 P 0.00 4.43 0.00 2.08 2.23 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 117 G 8.19 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 0.00 118 T 7.52 4.52 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 119 A 8.12 4.13 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 0.00 0.00 0.00 0.00 0.00 120 Y 8.05 2.99 0.00 2.58 2.82 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 0.00 121 Q 7.93 3.65 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 122 S 8.17 4.06 0.00 4.16 3.99 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 0.00 123 F 8.47 4.28 0.00 3.30 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 0.00 124 E 8.10 3.61 0.00 1.27 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 2.26 2.18 0.00 125 Q 7.95 3.78 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.57 0.00 126 V 7.37 3.18 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 -0.20 0.00 0.00 0.63 0.00 0.00 127 V 7.19 3.12 1.41 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 0.16 0.00 0.00 0.03 0.00 0.00 128 N 7.91 4.25 0.00 2.65 2.78 0.00 0.00 7.10 7.28 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 0.00 129 E 7.96 3.96 0.00 1.91 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 2.20 2.45 0.00 130 L 7.54 3.56 0.00 1.15 1.34 0.39 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.23 5.02 0.00 3.04 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 0.00 132 R 7.47 3.85 0.00 1.78 1.90 0.00 3.20 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 133 D 8.47 4.66 0.00 2.79 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 0.00 134 G 6.97 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.62 4.20 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 0.44 0.00 0.00 136 N 7.70 4.28 0.00 3.05 2.82 0.00 0.00 6.25 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 8.85 4.74 0.00 3.77 3.59 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 0.00 138 G 8.51 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 0.00 139 R 9.05 3.93 0.00 1.97 1.73 0.00 3.03 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.74 0.00 140 I 8.09 3.98 2.24 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.77 1.24 0.00 0.00 141 V 7.95 3.73 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 0.99 0.00 0.00 0.91 0.00 0.00 142 A 7.68 3.23 1.15 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 0.00 143 F 8.45 4.07 0.00 3.32 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 F 8.32 3.91 0.00 3.35 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 0.00 145 S 8.36 4.27 0.00 4.11 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 0.00 146 F 8.62 4.32 0.00 2.96 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 0.00 147 G 8.04 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.19 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 0.00 149 A 8.10 4.01 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 0.00 150 L 7.87 3.86 0.00 1.01 1.45 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 151 C 8.12 4.06 0.00 3.10 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 0.00 152 V 7.85 3.51 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 1.07 0.00 0.00 0.94 0.00 0.00 153 E 8.51 3.91 0.00 2.11 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 0.00 2.33 2.43 0.00 154 S 8.03 4.13 0.00 4.02 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 0.00 155 V 7.88 3.60 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 1.02 0.00 0.00 0.96 0.00 0.00 156 D 8.28 4.44 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 K 7.73 4.37 0.00 1.77 1.84 0.00 2.08 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.70 7.81 158 E 8.10 3.83 0.00 2.11 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 2.25 2.26 0.00 159 M 8.40 4.88 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.44 0.00 160 Q 7.93 4.11 0.00 2.23 2.32 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 2.39 2.42 0.00 161 V 7.86 3.65 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 0.87 0.00 0.00 0.92 0.00 0.00 162 L 7.97 4.06 0.00 1.71 1.63 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.58 3.42 2.09 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 0.96 0.00 0.00 0.86 0.00 0.00 164 S 7.81 4.00 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.95 3.10 0.00 1.27 0.66 0.00 3.05 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.55 0.00 166 I 7.21 3.05 1.73 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 1.40 0.38 0.75 0.00 0.00 167 A 7.66 3.86 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 0.00 168 A 7.82 3.93 1.21 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 0.00 169 W 7.81 4.48 0.00 2.87 2.88 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 0.00 170 M 8.57 4.68 0.00 2.09 2.33 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.58 0.00 171 A 8.28 4.16 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 0.00 0.00 0.00 0.00 0.00 172 T 8.28 3.90 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 173 Y 8.40 3.98 0.00 3.46 3.26 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 0.00 174 L 8.50 3.80 0.00 2.17 1.94 1.32 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.18 4.29 0.00 3.04 2.92 0.00 0.00 7.32 9.00 0.00 0.00 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 8.01 4.44 0.00 2.38 2.33 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 0.00 177 H 7.96 4.59 0.00 1.51 2.57 0.00 5.60 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.35 4.18 0.00 1.48 1.43 -0.35 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.25 3.83 0.00 2.21 1.98 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 2.36 2.42 0.00 180 P 0.00 4.20 0.00 1.99 2.04 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 181 W 8.03 4.08 0.00 3.17 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 0.00 182 I 7.95 3.26 1.66 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.56 0.09 0.00 0.00 183 Q 8.14 3.89 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.64 0.00 184 E 7.35 4.32 0.00 1.58 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.39 0.00 185 N 7.54 4.60 0.00 1.44 1.90 0.00 0.00 7.27 7.65 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 0.00 186 G 7.88 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 0.00 0.00 0.00 0.00 187 G 8.33 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 0.00 188 W 8.62 4.50 0.00 3.55 3.33 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 0.00 189 D 8.48 4.53 0.00 2.77 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 T 7.93 3.85 4.55 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 1.29 0.00 0.00 191 F 7.81 3.32 0.00 2.24 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 0.00 192 V 7.98 3.42 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 1.07 0.00 0.00 1.16 0.00 0.00 193 E 8.34 3.88 0.00 2.00 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 2.33 2.49 0.00 194 L 7.75 3.95 0.00 1.27 1.15 0.82 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 195 Y 7.66 4.32 0.00 1.93 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 0.00 196 G 8.03 3.69 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 0.00 0.00 0.00 197 N 8.60 4.17 0.00 2.80 2.84 0.00 0.00 6.74 8.00 0.00 0.00 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 N 7.97 4.59 0.00 2.89 2.67 0.00 0.00 6.67 7.44 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 * Residues marked with a * may have inaccurate shift predictions.