NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2799 7.8827 121.4458 61.1612 38.7633 173.7700 17 V 4.4198 8.5391 125.5892 61.6028 33.0769 174.1983 18 G 3.6869 9.0506 115.2121 46.6609 0.0000 172.9555 19 G 4.3238 7.8604 110.6330 43.7569 0.0000 172.3442 20 Y 4.9703 7.7869 116.7065 55.2260 42.3132 174.6807 21 T 4.3788 8.5865 116.7488 63.7744 68.4804 175.4293 22 C 4.3062 8.7182 125.4388 61.1835 35.9466 174.4121 23 G 4.1811 8.5722 105.8968 43.5281 0.0000 173.0131 24 A 4.1261 8.6291 125.3502 53.5892 18.7037 177.2159 25 N 4.2110 8.7382 120.5271 54.4937 36.2960 175.2948 26 T 4.2404 7.5310 107.5865 62.4309 70.2268 175.0500 27 V 4.0700 7.0224 122.0273 60.2712 31.2409 173.7857 28 P 4.5248 0.0000 0.0000 63.9999 32.0380 178.1339 29 Y 5.1966 6.8148 115.7335 56.5793 38.8013 174.7433 30 Q 4.5549 7.3254 123.4501 56.2501 29.6450 175.2142 31 V 4.8462 8.9621 125.1744 61.1611 35.7155 173.7060 32 S 4.9562 8.7026 119.1973 56.4383 65.1718 172.4921 33 L 4.7462 8.5423 127.3326 53.1311 43.6002 174.9503 34 N 6.0144 9.1101 122.4512 50.0458 42.1396 174.9299 *37 S 5.0236 7.8843 119.7527 58.6852 64.1807 174.4555 38 G 3.9687 9.4225 109.2063 46.5692 0.0000 173.1701 39 Y 4.5644 6.3916 115.2906 56.1007 40.1765 172.8234 40 H 4.6983 8.7682 121.5013 56.0692 30.3910 174.9266 41 F 4.9781 7.7435 118.8902 56.3539 39.4858 173.4369 42 C 4.7862 6.6318 116.8257 56.4909 44.5891 173.0325 43 G 4.2896 8.6850 109.2868 45.4164 0.0000 172.0110 44 G 4.5284 8.0468 105.6230 46.4700 0.0000 172.5529 45 S 5.4802 8.8063 115.2702 56.4869 66.9156 173.5950 46 L 4.7296 9.0834 126.8800 54.5218 42.4365 177.0751 47 I 4.3200 8.5115 119.9717 61.3630 38.7743 174.6165 48 N 4.5611 7.6242 117.2573 52.0334 39.2920 175.1844 49 S 4.1812 8.5381 112.4696 60.6848 63.0992 175.5197 50 Q 4.4386 8.1918 117.8009 55.1869 30.3131 174.5816 51 W 5.5214 8.0221 117.9664 54.7281 33.3316 174.4947 52 V 5.1547 9.1467 122.7361 61.0776 34.6767 174.4214 53 V 4.9632 8.8164 126.1999 60.4589 33.7655 174.8364 54 S 5.0288 8.8901 116.7950 57.6811 66.1273 171.8626 55 A 4.7178 8.5145 120.3996 50.5932 20.4879 178.4598 56 A 3.8141 8.3104 124.5460 55.2547 18.4715 179.1658 57 H 4.5291 8.5072 109.7953 57.4017 28.6783 175.3087 58 C 4.7229 7.8794 117.2109 56.9715 40.5019 173.2583 59 Y 4.2943 7.7066 122.2404 57.9528 38.7367 175.4255 60 K 3.9006 7.2874 124.0440 55.1123 36.2362 174.8965 61 S 4.3927 7.9978 115.2362 57.9962 64.0304 173.7187 62 G 3.6047 8.5679 112.5181 46.2657 0.0000 173.2468 63 I 4.5855 7.3040 118.5932 59.7105 40.0158 175.9931 64 Q 4.7887 8.4661 126.1394 54.2450 32.2913 173.8121 65 V 4.6188 8.8582 126.3892 61.3846 33.9312 174.4457 66 R 5.1747 8.9007 126.8963 54.6422 32.6392 175.1416 67 L 4.7186 9.2594 124.5025 52.6780 44.9909 177.0678 *69 G 4.4736 8.2190 105.4291 46.3453 0.0000 172.8506 70 E 4.6366 8.4456 118.8069 55.3229 30.2530 174.2652 71 D 4.7780 7.8674 117.2134 55.1034 43.7276 174.0881 72 N 4.9902 8.9257 115.7996 53.0616 39.7331 176.0380 73 I 4.0812 8.4760 119.1431 61.8433 37.9624 176.0281 74 N 4.8192 8.7712 118.0166 52.9944 39.3349 174.5448 75 V 4.2840 7.3734 117.1189 60.7274 34.1074 175.0133 76 V 4.1018 8.4677 127.1109 62.6327 30.9487 175.1876 77 E 4.3457 9.1156 127.1886 55.9653 29.8850 176.9888 78 G 4.0567 8.0968 107.3565 45.3519 0.0000 174.4055 79 N 4.8484 8.1735 115.1297 53.1112 39.7837 174.7319 80 E 5.4286 7.8051 118.2526 55.4037 31.3157 175.9892 81 Q 4.3305 8.3961 119.4430 54.3474 32.9518 173.9112 82 F 5.6415 8.8047 122.9354 55.9631 41.0917 175.1007 83 I 4.6948 8.8356 124.7823 59.4819 40.8950 175.6901 84 S 4.7022 8.6598 121.6277 58.0991 64.4739 173.1064 85 A 4.7240 8.2687 124.1674 51.7605 18.8491 177.6494 86 S 4.6360 8.8653 115.8623 59.5190 64.8036 174.5567 87 K 4.6695 7.5016 117.1913 55.6735 35.5286 174.6699 88 S 5.2609 8.7312 115.9054 56.7288 65.6572 173.2472 89 I 4.6242 9.1868 126.8145 59.5980 40.2297 174.7380 90 V 4.2228 8.4335 127.4606 61.9921 32.7757 175.1458 91 H 3.5207 8.5648 126.9206 55.8677 30.0182 174.2012 92 P 4.2236 0.0000 0.0000 65.5251 30.9958 177.1047 93 S 4.6969 7.6992 112.1886 57.9917 63.1555 173.2430 94 Y 4.3175 7.9306 122.9059 57.6811 39.0256 174.5715 95 N 4.6106 7.9830 125.2691 51.3329 40.0104 175.0731 96 S 3.8353 7.7498 120.4456 59.9335 63.6038 175.4935 97 N 4.3561 8.2521 119.1684 55.6642 38.3840 176.0754 98 T 3.9852 7.6771 105.2327 60.7231 69.9815 174.8980 99 L 3.7067 7.7785 120.9402 55.4531 39.7055 173.8860 100 N 4.4749 7.5977 117.8245 54.5704 39.6677 174.5060 101 N 4.7189 8.6554 119.7128 54.1467 35.7485 175.8228 102 D 4.7458 7.8714 117.8482 52.8698 39.9272 174.9817 103 I 4.8072 7.1867 121.0374 59.5389 42.2564 172.6303 104 M 5.4078 9.0144 125.9184 54.4617 36.4002 173.0954 105 L 5.4406 9.2751 123.2687 53.0877 45.2272 175.5528 106 I 5.0580 9.1341 123.4562 59.4775 40.7491 174.2514 107 K 3.8166 8.7281 128.7758 54.4968 33.7936 175.5099 108 L 4.5746 8.1558 127.2301 53.9930 42.2695 177.3047 109 K 4.1245 8.8325 122.1057 58.9889 32.4358 177.7867 110 S 4.6632 7.7378 112.7510 56.1393 66.6675 173.3295 111 A 4.4551 8.3174 123.8951 51.8238 18.9949 177.3953 112 A 4.3192 8.7168 123.0572 51.7721 20.0265 177.2311 113 S 4.6656 8.8426 115.9812 56.8790 63.9822 174.7702 114 L 4.4485 8.5530 125.7263 54.5472 42.2260 176.2148 115 N 4.8361 8.7501 118.3340 52.4272 39.9071 174.7983 116 S 4.1520 8.7989 113.2158 62.0705 62.5867 175.9356 117 R 4.1373 8.7301 118.7512 56.9909 30.4771 175.9842 118 V 4.6144 7.8727 116.9700 60.8845 33.2799 173.7825 119 A 5.2166 8.5999 128.4133 50.4088 23.1108 174.7438 120 S 5.1396 8.6752 113.7169 57.2073 65.4765 173.0312 121 I 4.4875 8.3455 120.6501 59.1512 39.9163 175.4094 122 S 4.4289 8.3443 122.9020 58.0648 63.7322 173.9496 123 L 4.3382 8.0701 123.1087 53.1929 42.6347 175.1538 124 P 4.5524 0.0000 0.0000 62.8752 32.6148 176.1539 125 T 4.0894 8.2777 109.2138 63.0325 69.9313 174.8048 *127 S 5.0055 7.5170 113.7948 57.9184 64.0664 173.6570 128 C 4.4507 8.3628 117.3766 56.4497 40.7452 173.6003 129 A 4.4541 7.9655 124.4786 51.4369 19.8198 177.4556 130 S 4.3305 8.0645 115.3810 57.3733 64.4311 173.6642 *132 A 4.2407 8.2088 124.6446 53.5177 19.2703 177.0452 133 G 4.0046 8.9950 110.4326 45.3903 0.0000 174.4186 134 T 4.0394 7.7041 117.2503 63.7031 69.4638 173.7621 135 Q 4.7507 8.5565 124.7463 55.3721 30.2897 175.5599 136 C 5.2658 9.2637 119.7542 55.0779 46.2857 172.3311 137 L 5.1985 8.9305 122.0992 53.4853 44.3220 174.9602 138 I 5.3050 9.0581 127.1224 58.7203 40.0276 174.8359 139 S 4.9544 8.7352 119.8535 56.3879 66.5134 173.0840 140 G 3.7886 7.6780 108.6088 46.1558 0.0000 173.0025 141 W 4.5812 8.7244 117.2737 56.2448 29.5047 177.0168 142 G 4.1215 8.4411 108.8808 44.0084 0.0000 173.5914 143 N 3.5629 8.1681 118.0284 54.2933 38.9367 174.4314 144 T 5.1208 8.1408 112.2209 60.3951 69.4605 174.0471 145 K 4.6339 7.7811 120.9992 54.9515 34.9139 176.3766 146 S 4.2967 8.8182 119.3805 61.2340 63.1313 175.2361 147 S 4.5529 9.0294 116.9182 54.3193 62.3121 173.2022 148 G 4.3925 7.1380 111.1672 43.6845 0.0000 169.7016 149 T 4.8059 7.7635 116.1857 61.6500 71.7367 174.3323 150 S 4.4696 9.3840 121.7211 57.6635 65.8703 172.1054 151 Y 4.7988 8.7438 125.7524 55.7635 39.1560 174.2697 152 P 4.7118 0.0000 0.0000 62.5948 32.9280 175.3022 153 D 4.8734 8.6461 117.4027 54.9730 42.8184 176.8730 154 V 5.3088 7.7148 110.1102 58.4255 34.5832 175.4803 155 L 3.3042 8.3006 123.3948 54.9237 42.9312 175.8810 156 K 4.9419 8.2330 124.9643 54.8229 35.2362 174.5427 157 C 5.2566 8.4898 119.7878 55.1759 44.2653 172.9420 158 L 4.9369 8.5505 122.3311 53.8626 45.5319 174.4359 159 K 5.1339 8.9546 125.3184 55.0511 33.8511 175.6465 160 A 4.8780 9.1822 125.3510 49.8802 23.1758 173.6748 161 P 5.0487 0.0000 0.0000 61.8538 34.0388 175.0611 162 I 4.3778 8.3680 122.1463 61.2770 38.2051 175.6921 163 L 4.8981 8.5342 126.6538 52.9413 43.8074 176.8552 164 S 4.3386 7.9695 115.6680 58.3425 63.7621 175.4444 165 D 4.4845 8.6547 121.9548 57.3615 40.4943 179.2257 166 S 4.2250 8.0502 114.9923 61.4186 63.0061 176.5770 167 S 4.3168 7.9282 119.2377 60.4861 62.7168 175.7698 168 C 4.3218 8.0246 121.6883 59.7318 41.7657 175.8023 169 K 4.0147 8.5823 120.7479 59.3756 31.4541 179.5430 170 S 4.2863 8.4554 114.5816 61.0942 62.7823 176.4134 171 A 3.9295 7.6375 123.9405 53.5278 19.6620 177.1654 172 Y 4.8169 7.7544 114.5183 55.2366 38.2654 172.4546 173 P 4.6145 0.0000 0.0000 63.0602 32.3147 177.3590 174 G 3.9912 8.9808 109.8645 46.1365 0.0000 173.7458 175 Q 4.5629 8.1449 116.9747 55.4809 30.6129 175.5891 176 I 4.4367 7.8486 119.2636 59.9921 38.4730 175.0480 177 T 4.6641 8.1795 114.6281 59.4582 71.2360 174.7575 178 S 4.4095 8.5672 114.3621 60.0080 63.2057 174.2392 179 N 4.9735 8.2761 118.8939 53.3978 38.5320 173.8339 180 M 5.5840 7.8185 117.2277 53.9187 36.3421 174.4725 181 F 5.0756 8.7120 114.6208 56.0554 42.0595 172.3740 182 C 5.8760 9.3102 116.2290 54.8905 41.4979 172.7232 183 A 4.9794 9.0178 122.0181 50.8366 22.3356 175.8765 184A G 3.7454 6.8845 107.3512 44.7985 0.0000 172.4444 184 Y 4.6246 8.3190 119.3461 55.9995 41.1754 176.3961 185 L 4.1904 8.6929 125.3709 57.3387 42.0280 179.0811 186 E 4.0474 8.1913 115.6415 57.5138 30.0061 177.1339 187 G 3.7472 7.6258 105.9510 44.5387 0.0000 170.9051 188A G 4.2758 8.8945 106.8502 44.6712 0.0000 174.2876 188 K 4.8792 7.1755 117.1311 54.5214 35.2130 175.3581 189 D 4.5966 8.6476 123.0248 54.0377 45.7708 174.9492 190 S 4.8802 8.7117 116.9188 58.0271 65.5847 172.6206 191 C 4.7447 9.0850 118.3142 55.7603 47.1886 172.3715 192 Q 4.4289 8.5297 119.2561 57.8448 28.5191 177.8513 193 G 4.2545 9.3206 110.5041 45.6642 0.0000 173.9249 194 D 4.7472 8.3441 118.3054 54.8262 41.8829 176.6567 195 S 4.3955 8.0568 115.3479 60.4225 63.4383 175.6597 196 G 4.1084 8.8578 112.3423 46.4149 0.0000 173.7383 197 G 4.4220 7.7791 107.5408 44.9926 0.0000 171.3654 198 P 5.1288 0.0000 0.0000 62.4859 33.4879 175.8057 199 V 4.5957 8.4843 120.3496 61.4868 34.4475 174.0294 200 V 4.8556 8.7859 128.8772 61.2504 34.0752 173.6723 201 C 5.1102 8.7979 124.6027 55.7119 43.9085 174.5944 202 S 3.4849 9.7692 119.9165 59.7424 60.1077 173.2428 203 G 3.9209 8.3492 103.9958 45.6873 0.0000 173.6390 204 K 4.7112 7.5383 117.7179 52.9403 35.4970 175.4935 *209 L 4.2640 8.2673 122.1847 55.4889 42.3112 175.9720 210 Q 4.5902 8.8436 125.6004 56.4280 31.1234 175.7126 211 G 5.3550 7.9769 104.6449 45.9286 0.0000 171.5073 212 I 5.2133 8.2128 119.5028 58.8928 41.2149 175.3241 213 V 3.7741 8.9958 127.5030 63.9722 31.8209 174.2963 214 S 4.7800 8.4604 120.5969 58.8435 64.3665 173.9194 215 W 4.9085 7.1792 114.3256 56.7132 31.7057 171.8083 216 G 3.6008 7.9039 104.5014 46.9209 0.0000 172.0432 217 S 4.6961 8.2500 114.7729 56.4729 63.9197 173.1444 *219 G 4.3687 8.1250 117.7250 45.7699 0.0000 171.1411 220 C 4.9377 8.1180 115.1194 56.5066 44.0952 173.8557 221A A 3.9915 9.0426 125.5027 53.2728 16.4095 177.3570 221 Q 4.6113 7.2677 116.9953 56.1629 29.6938 176.1467 222 K 4.2009 8.3646 120.8788 57.7274 32.8101 176.5546 223 N 4.8292 9.2323 121.4798 54.1781 37.0292 175.4597 224 K 4.3845 7.3426 115.0971 54.0050 32.5945 174.0414 225 P 4.5820 0.0000 0.0000 61.9730 33.0501 177.1557 226 G 3.6921 8.1616 105.3767 45.9999 0.0000 172.7177 227 V 4.4027 7.6725 121.5906 60.6775 33.9769 174.1066 228 Y 4.9156 8.2761 124.6832 55.9826 41.7495 175.1624 229 T 4.3985 8.5624 119.7365 63.6472 70.1422 174.3347 230 K 5.1582 9.2303 127.9517 55.0935 31.3671 177.0647 231 V 3.9457 8.7003 125.6629 66.0003 31.4040 174.8134 232 C 4.5182 8.3768 112.2765 58.1332 41.4188 174.7134 233 N 4.2966 7.9922 117.1317 54.1530 38.6452 174.9999 234 Y 4.8292 8.0295 117.7699 57.5203 39.1965 177.5493 235 V 3.6924 8.0523 121.6636 66.1990 31.4514 178.0520 236 S 4.1078 8.0879 114.2728 61.4151 62.7290 176.2249 237 W 4.1829 8.3243 130.4475 60.5167 30.3591 177.7916 238 I 3.0010 8.1927 119.8025 64.1785 36.7245 178.4584 239 K 3.7151 8.0829 119.4274 59.5083 31.6558 179.2372 240 Q 3.8504 7.8598 118.6110 59.3824 29.1471 178.0879 241 T 3.7428 7.5736 117.1906 66.4545 67.9769 176.8958 242 I 2.4918 7.2598 114.9767 63.3099 37.1610 177.9933 243 A 4.0651 7.4955 120.9980 53.8724 18.1982 178.6650 244 S 4.7047 7.2042 111.8233 58.2606 63.3686 174.0158 245 N 4.6917 7.8845 125.0441 53.6497 39.5420 174.1697 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 16 I 7.88 4.28 1.79 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.53 0.90 0.00 0.00 17 V 8.54 4.42 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 1.03 0.00 0.00 0.89 0.00 0.00 18 G 9.05 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 19 G 7.86 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 7.79 4.97 0.00 3.01 2.98 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 21 T 8.59 4.38 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 1.23 0.00 0.00 22 C 8.72 4.31 0.00 2.75 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 23 G 8.57 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.63 4.13 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 25 N 8.74 4.21 0.00 2.85 2.89 0.00 0.00 7.27 7.58 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 26 T 7.53 4.24 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 27 V 7.02 4.07 1.74 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 0.31 0.00 0.00 0.76 0.00 0.00 28 P 0.00 4.52 0.00 2.37 2.39 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.95 0.00 29 Y 6.81 5.20 0.00 3.25 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 30 Q 7.33 4.55 0.00 1.81 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.50 0.00 0.00 0.00 0.00 0.00 1.93 2.48 0.00 31 V 8.96 4.85 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 0.87 0.00 0.00 1.10 0.00 0.00 32 S 8.70 4.96 0.00 3.08 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 33 L 8.54 4.75 0.00 0.37 1.03 0.81 0.25 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 34 N 9.11 6.01 0.00 2.42 2.48 0.00 0.00 6.58 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *37 S 7.88 5.02 0.00 3.69 3.67 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 38 G 9.42 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 39 Y 6.39 4.56 0.00 3.08 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 40 H 8.77 4.70 0.00 2.85 3.15 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.74 4.98 0.00 3.18 3.22 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 42 C 6.63 4.79 0.00 2.26 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.69 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.05 4.53 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 0.00 45 S 8.81 5.48 0.00 3.82 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.08 4.73 0.00 1.87 1.67 1.08 1.00 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 47 I 8.51 4.32 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.91 0.96 0.00 0.00 48 N 7.62 4.56 0.00 2.93 2.98 0.00 0.00 6.51 8.52 0.00 0.00 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 S 8.54 4.18 0.00 4.18 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.19 4.44 0.00 2.12 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 51 W 8.02 5.52 0.00 3.16 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 52 V 9.15 5.15 2.15 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 1.15 0.00 0.00 0.98 0.00 0.00 53 V 8.82 4.96 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 0.72 0.00 0.00 1.06 0.00 0.00 54 S 8.89 5.03 0.00 3.90 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 55 A 8.51 4.72 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 56 A 8.31 3.81 0.28 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 57 H 8.51 4.53 0.00 3.36 3.59 0.00 5.55 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.88 4.72 0.00 3.22 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 59 Y 7.71 4.29 0.00 2.93 2.96 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 0.00 0.00 0.00 60 K 7.29 3.90 0.00 1.35 1.22 0.00 0.61 0.00 0.00 0.96 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.87 0.75 7.81 61 S 8.00 4.39 0.00 3.73 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 62 G 8.57 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 63 I 7.30 4.59 1.88 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 1.41 0.99 0.94 0.00 0.00 64 Q 8.47 4.79 0.00 1.99 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.92 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 65 V 8.86 4.62 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 0.96 0.00 0.00 0.91 0.00 0.00 66 R 8.90 5.17 0.00 1.58 1.81 0.00 2.66 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.23 0.00 67 L 9.26 4.72 0.00 1.58 1.61 0.95 0.76 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 *69 G 8.22 4.47 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 0.00 70 E 8.45 4.64 0.00 2.19 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 2.39 2.11 0.00 71 D 7.87 4.78 0.00 2.76 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 72 N 8.93 4.99 0.00 2.82 2.79 0.00 0.00 7.23 8.07 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 73 I 8.48 4.08 1.44 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 1.21 0.54 -0.48 0.00 0.00 74 N 8.77 4.82 0.00 2.80 2.86 0.00 0.00 6.62 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 75 V 7.37 4.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.01 0.00 0.00 76 V 8.47 4.10 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 0.78 0.00 0.00 1.03 0.00 0.00 77 E 9.12 4.35 0.00 2.01 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 2.31 2.48 0.00 78 G 8.10 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 79 N 8.17 4.85 0.00 2.75 2.82 0.00 0.00 7.17 7.67 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 80 E 7.81 5.43 0.00 1.34 1.68 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 2.71 2.30 0.00 81 Q 8.40 4.33 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 82 F 8.80 5.64 0.00 2.80 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 83 I 8.84 4.69 1.88 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 1.24 0.71 0.95 0.00 0.00 84 S 8.66 4.70 0.00 3.76 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 85 A 8.27 4.72 1.20 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 0.00 0.00 0.00 86 S 8.87 4.64 0.00 3.76 3.91 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 87 K 7.50 4.67 0.00 1.85 1.89 0.00 1.46 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.25 1.49 7.81 88 S 8.73 5.26 0.00 3.99 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 89 I 9.19 4.62 2.06 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.89 1.14 0.00 0.00 90 V 8.43 4.22 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 0.58 0.00 0.00 0.71 0.00 0.00 91 H 8.56 3.52 0.00 2.82 2.95 0.00 5.66 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.22 0.00 2.13 2.16 0.00 2.51 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 1.47 1.83 0.00 93 S 7.70 4.70 0.00 3.95 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 94 Y 7.93 4.32 0.00 2.95 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 95 N 7.98 4.61 0.00 2.58 2.42 0.00 0.00 6.61 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 7.75 3.84 0.00 3.98 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 97 N 8.25 4.36 0.00 2.78 2.79 0.00 0.00 6.81 6.99 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 98 T 7.68 3.99 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 1.09 0.00 0.00 99 L 7.78 3.71 0.00 1.40 1.88 0.79 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.60 4.47 0.00 2.74 2.63 0.00 0.00 7.27 6.59 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 0.00 101 N 8.66 4.72 0.00 3.07 2.66 0.00 0.00 7.24 8.26 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 0.00 102 D 7.87 4.75 0.00 3.10 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 0.00 103 I 7.19 4.81 1.51 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 1.27 0.09 0.00 0.00 104 M 9.01 5.41 0.00 2.14 1.82 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 105 L 9.28 5.44 0.00 1.71 1.80 0.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.13 5.06 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.92 0.90 0.00 0.00 107 K 8.73 3.82 0.00 0.79 1.07 0.00 1.35 0.00 0.00 1.35 0.00 0.00 2.60 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.69 0.21 7.81 108 L 8.16 4.57 0.00 1.46 1.55 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.83 4.12 0.00 1.67 1.83 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.47 7.81 110 S 7.74 4.66 0.00 3.77 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 0.00 111 A 8.32 4.46 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 0.00 112 A 8.72 4.32 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 0.00 113 S 8.84 4.67 0.00 3.74 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 0.00 114 L 8.55 4.45 0.00 1.66 1.62 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.75 4.84 0.00 2.90 2.92 0.00 0.00 6.86 8.26 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 0.00 116 S 8.80 4.15 0.00 3.89 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 0.00 117 R 8.73 4.14 0.00 1.95 1.97 0.00 3.19 0.00 0.00 3.24 7.38 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.52 5.01 0.00 4.00 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 0.00 128 C 8.36 4.45 0.00 2.94 2.98 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 0.00 129 A 7.97 4.45 1.10 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 0.00 0.00 130 S 8.06 4.33 0.00 3.84 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 *132 A 8.21 4.24 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.99 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 0.00 0.00 0.00 134 T 7.70 4.04 4.18 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 0.00 0.00 1.14 0.00 0.00 135 Q 8.56 4.75 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 136 C 9.26 5.27 0.00 2.82 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 0.00 137 L 8.93 5.20 0.00 1.76 1.56 1.04 1.03 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 0.00 138 I 9.06 5.31 1.88 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 0.76 1.59 0.99 0.00 0.00 139 S 8.74 4.95 0.00 3.51 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 0.00 140 G 7.68 3.79 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 0.00 0.00 0.00 141 W 8.72 4.58 0.00 3.20 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 0.00 142 G 8.44 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 0.00 143 N 8.17 3.56 0.00 2.07 2.56 0.00 0.00 7.35 8.36 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 0.00 144 T 8.14 5.12 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 1.26 0.00 0.00 145 K 7.78 4.63 0.00 1.80 1.70 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.28 1.33 7.81 146 S 8.82 4.30 0.00 3.86 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 0.00 147 S 9.03 4.55 0.00 3.82 3.78 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 0.00 148 G 7.14 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 0.00 0.00 0.00 0.00 149 T 7.76 4.81 4.32 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 1.45 0.00 0.00 150 S 9.38 4.47 0.00 3.83 3.63 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 0.00 151 Y 8.74 4.80 0.00 2.97 2.96 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 0.00 0.00 0.00 152 P 0.00 4.71 0.00 2.41 2.08 0.00 4.07 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 153 D 8.65 4.87 0.00 2.69 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 0.00 154 V 7.71 5.31 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 1.02 0.00 0.00 0.97 0.00 0.00 155 L 8.30 3.30 0.00 1.30 1.24 -0.76 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.23 4.94 0.00 1.67 1.49 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.46 7.81 157 C 8.49 5.26 0.00 1.43 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 0.00 0.00 0.00 158 L 8.55 4.94 0.00 1.71 1.45 1.04 0.99 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 0.00 159 K 8.95 5.13 0.00 1.81 1.80 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.63 7.81 160 A 9.18 4.88 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 0.00 161 P 0.00 5.05 0.00 2.02 2.09 0.00 3.15 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 162 I 8.37 4.38 1.74 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 1.01 0.52 0.76 0.00 0.00 163 L 8.53 4.90 0.00 1.56 1.60 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 164 S 7.97 4.34 0.00 4.18 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 0.00 165 D 8.65 4.48 0.00 2.74 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 0.00 166 S 8.05 4.22 0.00 4.06 4.13 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 0.00 0.00 0.00 167 S 7.93 4.32 0.00 4.03 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 0.00 168 C 8.02 4.32 0.00 3.24 3.38 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 0.00 169 K 8.58 4.01 0.00 1.93 1.90 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.60 7.81 170 S 8.46 4.29 0.00 4.03 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 0.00 171 A 7.64 3.93 1.07 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 0.00 0.00 172 Y 7.75 4.82 0.00 3.17 3.20 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 0.00 173 P 0.00 4.61 0.00 2.08 2.03 0.00 3.90 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 174 G 8.98 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 0.00 0.00 0.00 175 Q 8.14 4.56 0.00 2.50 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.48 0.00 0.00 0.00 0.00 0.00 2.29 2.57 0.00 176 I 7.85 4.44 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.94 0.99 0.00 0.00 177 T 8.18 4.66 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 0.00 178 S 8.57 4.41 0.00 4.01 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 0.00 179 N 8.28 4.97 0.00 3.09 3.10 0.00 0.00 6.66 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 0.00 180 M 7.82 5.58 0.00 1.77 1.98 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.61 0.00 181 F 8.71 5.08 0.00 3.08 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 0.00 182 C 9.31 5.88 0.00 2.97 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 0.00 183 A 9.02 4.98 1.10 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 0.00 0.00 184A G 6.88 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 0.00 184 Y 8.32 4.62 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 0.00 185 L 8.69 4.19 0.00 1.74 1.73 0.92 0.88 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 0.00 186 E 8.19 4.05 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 187 G 7.63 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 188A G 8.89 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 0.00 0.00 0.00 0.00 188 K 7.18 4.88 0.00 1.43 1.75 0.00 0.96 0.00 0.00 1.36 0.00 0.00 2.27 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.45 1.26 7.81 189 D 8.65 4.60 0.00 2.80 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 8.71 4.88 0.00 4.00 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 0.00 191 C 9.09 4.74 0.00 2.93 3.06 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 0.00 192 Q 8.53 4.43 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 5.37 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 193 G 9.32 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 D 8.34 4.75 0.00 3.03 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 0.00 195 S 8.06 4.40 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 0.00 196 G 8.86 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 0.00 0.00 0.00 197 G 7.78 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 0.00 198 P 0.00 5.13 0.00 2.32 2.36 0.00 3.71 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 199 V 8.48 4.60 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 0.82 0.00 0.00 0.73 0.00 0.00 200 V 8.79 4.86 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.59 0.00 0.00 201 C 8.80 5.11 0.00 2.79 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 S 9.77 3.48 0.00 3.93 3.87 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 0.00 203 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 0.00 204 K 7.54 4.71 0.00 1.72 1.63 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.40 7.81 *209 L 8.27 4.26 0.00 1.52 1.64 1.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 8.84 4.59 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.46 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 211 G 7.98 5.35 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 0.00 212 I 8.21 5.21 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.04 0.97 0.00 0.00 213 V 9.00 3.77 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.20 0.00 0.00 214 S 8.46 4.78 0.00 3.90 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 0.00 215 W 7.18 4.91 0.00 3.34 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 G 7.90 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 0.00 217 S 8.25 4.70 0.00 4.21 3.91 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 *219 G 8.12 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 0.00 0.00 0.00 0.00 220 C 8.12 4.94 0.00 2.94 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221A A 9.04 3.99 1.37 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 0.00 0.00 0.00 221 Q 7.27 4.61 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.02 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 222 K 8.36 4.20 0.00 1.80 1.67 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.55 7.81 223 N 9.23 4.83 0.00 2.80 2.80 0.00 0.00 6.74 7.86 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 0.00 224 K 7.34 4.38 0.00 1.53 1.77 0.00 1.61 0.00 0.00 1.28 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.49 7.81 225 P 0.00 4.58 0.00 2.24 2.11 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 226 G 8.16 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 0.00 227 V 7.67 4.40 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 0.27 0.00 0.00 -0.76 0.00 0.00 228 Y 8.28 4.92 0.00 1.43 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 T 8.56 4.40 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 1.23 0.00 0.00 230 K 9.23 5.16 0.00 2.16 1.97 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.67 7.81 231 V 8.70 3.95 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 1.09 0.00 0.00 1.12 0.00 0.00 232 C 8.38 4.52 0.00 3.17 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 0.00 233 N 7.99 4.30 0.00 2.38 2.37 0.00 0.00 6.93 7.64 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 0.00 234 Y 8.03 4.83 0.00 3.21 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 0.00 235 V 8.05 3.69 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.10 0.00 0.00 236 S 8.09 4.11 0.00 3.97 3.93 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 0.00 237 W 8.32 4.18 0.00 3.47 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 0.00 238 I 8.19 3.00 1.99 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.04 0.73 0.00 0.00 239 K 8.08 3.72 0.00 1.77 1.78 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.59 7.81 240 Q 7.86 3.85 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 241 T 7.57 3.74 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 0.80 0.00 0.00 242 I 7.26 2.49 0.56 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 1.26 0.50 -0.33 0.00 0.00 243 A 7.50 4.07 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 0.00 244 S 7.20 4.70 0.00 3.73 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 0.00 245 N 7.88 4.69 0.00 3.02 3.00 0.00 0.00 6.94 7.23 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 * Residues marked with a * may have inaccurate shift predictions.