NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4359 8.3301 115.4072 58.1029 64.5978 172.5963 5 A 4.4188 8.1558 123.4189 51.3645 21.1275 174.9988 6 H 4.0985 9.7985 120.3572 56.9655 27.2940 173.9193 7 G 3.9846 8.5564 103.4674 46.1420 0.0000 173.9535 8 L 4.8757 7.9638 119.1644 52.6871 44.3065 175.7937 9 T 5.1296 8.3238 111.0226 59.8178 71.7730 173.1671 10 D 5.1866 8.5306 118.5224 53.8985 39.5649 175.6447 11 D 5.1366 7.8301 120.2552 53.5110 42.1333 173.8508 12 M 4.9920 9.2626 123.4814 53.1802 36.2064 174.2578 13 T 5.1409 8.1225 108.6875 60.4805 72.4379 172.7814 14 M 5.1483 8.9054 120.4906 53.8914 37.1347 173.8816 15 H 5.0955 8.5612 119.6978 54.4972 33.3600 172.2042 16 F 5.6248 8.5711 123.2808 55.1714 42.9337 174.7157 17 R 4.9691 8.6114 121.0468 55.9386 33.2812 173.0471 18 M 5.3176 10.2023 127.7782 53.7868 35.7487 173.8611 19 E 4.9528 8.6961 124.5561 54.7541 33.1965 175.4241 20 G 3.4902 7.9126 109.6464 46.0491 0.0000 171.1820 21 C 5.4670 8.7005 117.3534 58.7506 35.7437 172.7258 22 V 4.9344 9.3115 127.0201 61.6489 33.6762 175.3457 23 D 4.5004 9.9241 129.5934 55.4455 38.9592 174.9121 24 G 3.9601 8.6057 106.7282 45.5471 0.0000 173.3225 25 H 4.6009 8.7051 120.5285 55.0147 29.1457 174.5946 26 K 5.0385 8.4840 126.9427 56.5822 33.6966 176.0976 27 F 5.0747 8.0708 113.8096 56.4472 41.6865 172.9168 28 V 4.9050 8.9031 121.1852 61.3232 34.4652 174.1533 29 I 5.2366 9.2738 128.3717 59.7239 40.6439 174.4587 30 E 4.9961 8.5629 124.0634 55.2157 34.4339 175.5367 31 G 4.3021 8.4023 105.7283 47.5895 0.0000 171.0876 32 N 5.4986 7.1885 116.9900 53.7487 41.3743 172.9383 33 G 4.7138 8.4046 103.5860 47.2429 0.0000 171.5788 34 N 5.5938 7.8266 115.2107 52.0115 40.9947 173.5921 35 G 4.3552 8.5852 106.3628 46.4011 0.0000 171.6920 36 N 5.4631 9.3077 119.0690 50.1260 40.0836 173.1365 37 P 4.0820 0.0000 0.0000 65.6858 31.3929 178.5179 38 F 4.2398 8.1648 115.3597 58.9080 38.8095 175.8036 39 K 4.5797 8.1729 118.8378 54.9809 33.0371 176.0209 40 G 4.2548 8.4091 108.0682 46.2356 0.0000 173.4187 41 K 5.6836 8.3120 116.3049 53.7517 36.1230 175.5113 42 Q 4.9216 8.3031 120.6372 54.3420 32.8637 173.4892 43 F 5.0475 9.5049 119.3149 55.8091 42.2095 174.2538 44 I 4.9114 8.9899 124.7619 59.4074 40.4954 174.3025 45 N 5.2224 9.1204 123.9229 51.4829 41.3513 173.5822 46 L 4.8968 8.1375 123.4961 52.8490 45.7286 175.3228 47 C 4.8346 8.2525 120.7452 57.6799 35.3066 173.1079 48 V 4.1580 8.8404 127.6280 63.1447 30.9276 175.5244 49 I 4.3958 8.5789 121.8912 61.3879 38.8290 175.7962 50 E 4.5405 8.2529 122.4022 56.4261 33.8976 175.8819 51 G 4.0835 8.7879 111.7546 46.7925 0.0000 173.3443 52 G 3.9993 7.7803 107.5273 43.4622 0.0000 172.1075 53 P 4.5132 0.0000 0.0000 61.0604 32.3267 176.1093 54 L 3.4300 8.2079 121.4641 54.5117 41.6188 176.2252 55 P 4.0690 0.0000 0.0000 63.5363 31.8380 175.9373 56 F 4.8768 5.8679 113.7251 54.2504 39.9965 175.1723 57 S 3.9333 8.3269 116.9412 58.7024 62.7662 175.4989 58 E 3.6277 8.2941 125.8812 59.2371 28.7533 178.9921 59 D 4.3577 7.6002 119.1681 57.5503 40.5979 178.9640 60 I 4.4967 7.3766 110.8978 63.2524 37.9806 177.4017 61 L 4.1875 8.3747 120.7204 55.8913 42.0087 178.4825 62 S 4.4216 8.0932 114.2232 62.2144 62.9436 176.4153 63 A 4.2238 8.2317 117.9020 53.3298 17.8477 177.5869 64 A 4.8625 8.2282 119.2857 53.0533 20.1323 178.2122 65 F 4.5739 7.7328 116.0979 56.5999 38.5263 177.7209 *69 N 4.8392 7.5937 119.0351 53.7788 38.9255 174.1070 70 R 3.9343 9.2051 120.2661 56.5473 29.9200 178.2176 71 L 4.0316 7.8699 119.7162 57.3124 42.2749 178.1390 72 F 4.5608 8.1386 119.9438 55.9842 37.3255 174.0103 73 T 4.6904 7.3160 116.5112 61.8431 73.0250 173.7952 74 E 4.3479 9.1725 128.5578 55.9984 30.5183 174.6617 75 Y 4.8780 8.7079 125.0844 55.6882 40.2179 173.9628 76 P 4.7139 0.0000 0.0000 61.5922 32.9317 176.7448 77 E 3.9362 8.9840 119.8498 59.7479 29.4119 178.6893 78 G 3.7771 8.0424 104.8433 46.4693 0.0000 173.1121 79 I 4.4421 7.6802 121.0699 58.7740 39.9275 175.6355 80 V 3.4981 8.4093 125.3297 63.3483 31.9715 176.3631 81 D 3.4541 8.0472 126.8477 52.1785 39.3172 175.5276 82 Y 3.7155 7.6075 124.5685 60.1700 39.0524 177.2892 83 F 4.1124 7.3441 117.7337 60.6141 39.2301 177.8363 84 K 3.9142 8.3234 117.9051 59.2615 31.5123 179.2113 85 N 3.9270 7.6021 116.5531 55.8011 38.6171 176.7197 86 S 4.2497 7.5248 114.0601 58.7638 63.4318 174.0735 87 C 4.8304 7.0498 120.7863 58.7794 28.9039 171.9859 88 P 4.4785 0.0000 0.0000 63.9071 31.9522 178.0723 89 A 3.9024 8.1014 123.1851 54.4749 18.9804 177.1037 90 G 4.5118 10.0725 101.5695 45.7914 0.0000 170.8552 91 Y 5.3300 8.1821 116.3147 56.5273 41.8666 173.3849 92 T 5.0814 9.4532 109.2610 59.9953 72.9853 172.7322 93 W 6.1052 7.7517 117.2670 56.0853 32.1996 173.1956 94 H 5.2669 8.7665 117.0698 54.2879 32.5935 172.3830 95 R 5.8221 9.3514 121.9449 53.6482 34.4263 173.5726 96 S 4.9544 8.4559 117.5569 56.4335 66.4154 172.3993 97 F 5.5281 9.0394 122.4311 55.1637 41.0056 174.7740 98 R 4.9011 8.4354 122.9011 54.1333 31.8238 175.0891 99 F 4.5031 9.1400 123.5489 56.6867 39.7908 176.8014 100 E 4.0388 8.7214 120.4114 58.8625 29.3582 177.4126 101 D 4.8713 8.4049 118.0268 53.1021 39.8441 177.4768 102 G 3.9714 8.2602 110.0078 46.0043 0.0000 174.6660 103 A 4.3159 7.5746 121.3860 52.0245 19.7642 177.0587 104 V 5.0869 8.4444 113.2496 59.9944 36.1662 174.5634 105 C 5.4316 9.1930 121.5180 58.0645 32.5169 172.9573 106 I 4.7644 8.2652 113.7960 59.4149 40.7729 173.8508 107 C 5.1117 8.4505 118.7829 56.9855 33.5880 172.8135 108 S 4.5331 8.7410 114.3539 56.5025 67.5035 172.8169 109 A 4.6012 6.7148 120.5900 50.8287 22.6164 174.5998 110 D 4.8192 8.8463 120.1516 52.3878 44.3167 174.5729 111 I 5.0262 8.6117 127.1512 59.9833 39.7294 174.8939 112 T 5.2759 8.8463 122.4583 60.6221 72.8144 172.8414 113 V 4.5031 8.5775 125.2374 61.3819 33.5250 174.8930 114 N 4.7724 9.3968 127.7065 52.0625 39.3089 175.4603 115 V 3.6316 8.5074 126.9036 65.7963 32.1494 178.2063 116 R 3.9511 8.2324 114.5704 59.3726 28.9441 177.3027 117 E 4.1532 9.1588 115.6751 55.8167 29.6594 175.7308 118 N 4.1822 8.0880 117.2901 54.8231 38.2479 172.4819 119 C 5.0419 8.0554 114.8280 57.3367 35.6039 172.3020 120 I 4.7169 8.3926 125.4758 59.8292 39.5241 174.0280 121 Y 4.9061 8.9876 125.2401 56.7249 39.8586 174.0104 122 H 5.4079 9.3487 125.1736 54.3704 32.6922 172.3775 123 E 5.0911 8.9551 125.5139 54.6690 32.3163 175.2788 124 S 5.0986 9.1746 119.1736 56.5704 67.0801 172.8648 125 T 4.8673 8.7029 114.8878 60.2702 70.6537 172.2508 126 F 4.8252 8.3850 130.0340 56.5320 42.9882 172.9392 127 Y 5.4144 8.3033 123.0330 56.3525 42.1560 174.6101 128 G 4.7172 9.1705 109.1624 44.9465 0.0000 171.4636 129 V 4.9096 8.3539 119.8441 61.6553 35.4468 173.8646 130 N 4.0711 9.4893 122.9842 54.2423 35.7344 175.2244 131 F 4.5731 8.3904 116.5771 55.5176 40.2154 175.0577 132 P 4.3105 0.0000 0.0000 62.6931 31.7587 177.3517 133 A 3.9788 8.7798 125.3077 54.9309 18.4543 177.9493 134 D 4.7045 7.9992 112.6625 53.2710 40.0117 177.2290 135 G 3.8587 7.9041 108.0651 43.6416 0.0000 173.2866 136 P 4.1383 0.0000 0.0000 65.1451 31.0548 178.9812 137 V 3.2903 7.1608 118.0723 66.0822 31.3681 177.6416 138 M 4.1831 7.7324 116.2215 57.2719 32.0437 177.6225 139 K 4.1979 7.6048 116.4349 54.7978 33.4275 176.5013 140 K 3.6058 7.4672 117.7852 58.0557 29.6439 174.7134 141 M 4.5312 8.2455 115.6319 55.3178 33.5979 177.7951 142 T 4.6962 7.5336 109.5219 61.3161 70.1930 174.1789 143 T 4.3936 8.3403 111.6210 63.2176 70.9733 173.6607 144 N 4.7332 7.5214 116.4095 51.5617 43.2092 173.6703 145 W 4.9434 8.6981 121.0048 56.3301 30.1503 176.4152 146 E 4.3830 9.2653 124.1385 55.3077 29.8857 175.1178 147 P 4.6385 0.0000 0.0000 63.5627 32.4297 175.4553 148 S 4.7120 8.6834 115.9159 57.0721 67.3976 172.1343 149 C 4.9786 8.3840 118.8803 57.8750 33.2696 172.6983 150 E 4.5722 9.5982 128.6832 55.3770 31.3510 174.8574 151 K 4.7783 9.0757 128.0459 55.2679 34.1468 174.8512 152 I 4.9298 8.9432 129.5757 59.9149 39.1665 174.8663 153 I 5.0767 8.9032 128.3485 58.8526 40.3449 173.0927 154 P 4.9848 0.0000 0.0000 61.9384 33.4757 175.6977 155 I 4.3654 8.4508 122.8663 59.2100 37.3460 175.8570 156 N 4.3048 8.7684 124.5986 56.1647 38.9073 177.5775 157 S 3.9652 8.2245 110.9894 60.9248 62.7078 174.9626 158 Q 4.4797 7.5043 115.6769 54.3178 29.8723 175.3149 159 K 3.9008 7.9107 117.1290 57.4625 30.2235 173.4352 160 I 4.8898 7.1630 110.1484 59.3591 42.3313 175.1061 161 L 5.1500 8.5206 121.4868 52.7465 45.2521 175.6027 162 K 5.0646 9.4175 122.6618 54.6915 35.3677 174.9771 163 G 4.8144 9.4477 114.3548 43.9047 0.0000 172.0119 164 D 5.4049 8.9812 122.5149 52.5024 44.5286 174.4792 165 V 4.6413 8.5631 125.2320 60.1515 35.1428 174.0794 166 S 4.5495 8.7127 119.7540 57.6173 62.9640 172.9825 167 M 4.5949 8.6744 127.4456 54.0549 34.8106 174.9251 168 Y 5.2222 8.4760 117.2166 56.5689 42.4865 174.0808 169 L 4.6241 9.1867 125.0411 53.2609 43.6002 176.0649 170 L 4.6950 8.9364 124.8803 54.5852 43.0885 176.3815 171 L 4.9382 8.7894 123.0749 52.9870 44.1041 177.8044 172 K 3.7749 9.0093 121.4836 59.9376 31.9529 178.5704 173 D 4.3754 7.8875 114.4439 54.4633 39.4161 176.8029 174 G 3.8683 8.3415 109.0129 45.1398 0.0000 173.6429 175 G 4.0840 8.5632 108.4963 45.2188 0.0000 172.9756 176 R 5.4108 8.4569 117.3554 54.4682 34.2425 175.2032 177 Y 5.0555 8.9321 121.6095 56.2248 41.9100 174.7039 178 R 4.4065 9.9641 127.4028 56.0578 32.1297 175.3572 179 C 4.8680 8.3167 120.9490 58.1344 35.3819 172.1541 180 Q 4.7226 8.5618 126.5866 54.4103 31.2958 173.7311 181 F 5.4678 9.0441 126.0015 56.4556 41.0199 174.5208 182 D 5.3881 8.8790 123.6641 52.9584 43.4481 175.3714 183 T 5.1518 8.9464 119.8833 61.6229 73.2315 173.2048 184 I 4.8225 8.2594 123.9397 59.8605 40.7318 173.9742 185 Y 5.4828 9.3052 125.4643 56.3731 40.3424 174.9411 186 K 5.2110 9.6811 123.4873 54.4022 35.4114 175.7546 187 A 4.5955 9.3064 128.0095 51.7262 18.4621 177.9566 188 K 4.1535 8.9461 120.9685 58.4848 32.4958 177.8591 189 T 4.5636 7.4191 107.0392 58.7944 71.2581 172.7890 190 E 3.7836 8.8696 123.5789 55.9815 29.5435 175.2514 191 P 4.2127 0.0000 0.0000 62.8478 31.8759 176.7150 192 K 4.3397 8.3728 120.3495 57.2015 32.9825 176.6146 193 E 4.7621 7.6794 116.4140 54.7633 33.4989 174.2073 194 M 4.8223 8.3921 120.7700 52.8945 34.9032 174.1735 195 P 4.5521 0.0000 0.0000 62.1400 32.8280 175.0872 196 D 4.7803 8.0634 119.1375 52.1879 42.3651 176.3716 197 W 4.7843 8.3961 117.8630 58.1152 28.6239 174.6018 198 H 4.0013 8.9537 115.5000 55.0915 31.9887 172.2800 199 F 5.6082 9.3557 118.0765 56.4334 41.9529 175.7178 200 I 4.8878 8.7980 121.0214 60.1365 40.9211 174.6005 201 Q 4.8201 8.7310 126.8876 55.3616 30.7291 174.9504 202 H 5.4259 9.0156 118.5322 54.0636 33.7901 172.7552 203 K 4.6298 8.8996 121.6062 54.9865 35.3192 174.8461 204 L 5.1564 8.7040 129.4732 53.6362 44.4599 174.9811 205 N 5.2948 9.0230 124.1194 51.5396 41.5896 173.9754 206 R 5.1451 9.3351 122.3041 54.5480 33.0073 174.5524 207 E 4.5752 9.5181 126.8775 54.1572 32.2412 174.1063 208 D 4.9060 8.7524 127.4752 53.9751 42.2198 175.9956 209 R 4.8500 8.8304 125.2544 56.1481 31.2123 175.9475 210 S 4.6305 8.7982 114.9009 58.3665 63.7674 173.4638 211 D 4.6751 8.5985 119.6010 52.2825 41.8582 175.6755 212 A 4.0451 8.6261 120.4115 55.2947 18.7000 179.4169 213 K 4.2169 7.7289 111.9117 58.5817 32.7916 176.8705 214 N 5.0610 8.9753 115.6559 51.2539 42.1471 172.9444 215 Q 4.9635 8.3905 122.1628 54.7271 30.8101 174.3509 216 K 4.9572 9.5462 124.7281 56.0398 36.4792 174.3432 217 W 5.6864 8.1906 117.8529 55.7290 32.3670 172.7735 218 Q 5.0833 9.5672 121.2801 54.3048 31.6835 174.0571 219 L 5.4061 8.9824 124.2040 53.0599 46.0379 175.5923 220 I 4.7469 8.5588 122.2155 59.5294 40.8801 174.0504 221 E 5.2648 8.6392 127.5520 54.6653 33.4296 174.0874 222 H 5.4454 9.0392 123.7787 54.7420 33.6118 171.8788 223 A 5.6950 9.4642 126.8711 49.2149 22.9395 174.4393 224 I 4.9582 8.0186 119.7104 59.2799 41.6951 173.9042 225 A 4.9565 8.5126 131.1326 51.0214 20.5265 176.0694 226 S 4.3997 8.2559 112.9851 58.7466 66.9224 175.6968 227 R 4.1754 8.1717 119.3914 54.1607 32.3608 176.0963 228 S 4.5151 8.6220 112.1926 59.7677 62.5722 174.6947 229 A 4.4212 8.6481 126.9031 52.4870 19.1815 177.1196 230 L 4.5907 7.9309 117.1320 52.1534 43.0554 175.0762 231 P 4.4373 0.0000 0.0000 63.2148 31.2571 176.0127 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 S 8.33 4.44 0.00 4.23 3.96 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 5 A 8.16 4.42 1.38 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 0.00 0.00 6 H 9.80 4.10 0.00 3.34 3.56 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.56 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 0.00 0.00 0.00 8 L 7.96 4.88 0.00 2.02 1.60 0.73 0.28 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 9 T 8.32 5.13 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 1.30 0.00 0.00 10 D 8.53 5.19 0.00 3.12 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.83 5.14 0.00 2.68 2.60 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 12 M 9.26 4.99 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.69 0.00 13 T 8.12 5.14 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 1.22 0.00 0.00 14 M 8.91 5.15 0.00 1.41 1.76 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.73 0.00 15 H 8.56 5.10 0.00 3.14 3.11 0.00 5.72 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.57 5.62 0.00 3.01 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 17 R 8.61 4.97 0.00 1.94 1.99 0.00 3.17 0.00 0.00 3.66 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 18 M 10.20 5.32 0.00 2.26 1.97 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 19 E 8.70 4.95 0.00 1.86 1.71 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 2.18 2.20 0.00 20 G 7.91 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 0.00 0.00 0.00 21 C 8.70 5.47 0.00 3.16 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 22 V 9.31 4.93 2.22 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 1.02 0.00 0.00 0.73 0.00 0.00 23 D 9.92 4.50 0.00 3.01 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 24 G 8.61 3.96 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 0.00 0.00 0.00 25 H 8.71 4.60 0.00 3.37 3.65 0.00 5.78 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.48 5.04 0.00 1.82 1.76 0.00 1.79 0.00 0.00 1.91 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.61 1.51 7.81 27 F 8.07 5.07 0.00 3.40 3.30 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 28 V 8.90 4.90 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 1.08 0.00 0.00 0.94 0.00 0.00 29 I 9.27 5.24 2.21 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.29 0.84 0.00 0.00 30 E 8.56 5.00 0.00 1.88 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 0.00 2.40 2.31 0.00 31 G 8.40 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 0.00 0.00 0.00 0.00 32 N 7.19 5.50 0.00 2.93 3.00 0.00 0.00 6.69 6.21 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 33 G 8.40 4.71 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 34 N 7.83 5.59 0.00 2.81 2.89 0.00 0.00 5.71 6.94 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 35 G 8.59 4.36 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 0.00 0.00 0.00 36 N 9.31 5.46 0.00 2.95 2.89 0.00 0.00 6.88 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 37 P 0.00 4.08 0.00 1.56 1.41 0.00 3.98 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 1.95 1.71 0.00 38 F 8.16 4.24 0.00 3.27 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 39 K 8.17 4.58 0.00 1.85 1.88 0.00 1.95 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.48 7.81 40 G 8.41 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 41 K 8.31 5.68 0.00 1.63 1.69 0.00 1.74 0.00 0.00 1.85 0.00 0.00 3.12 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.43 7.81 42 Q 8.30 4.92 0.00 1.47 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 43 F 9.50 5.05 0.00 3.06 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.99 4.91 1.60 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.55 0.08 0.00 0.00 45 N 9.12 5.22 0.00 2.72 2.61 0.00 0.00 6.50 7.14 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 46 L 8.14 4.90 0.00 0.27 0.52 -0.55 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47 C 8.25 4.83 0.00 2.84 2.62 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 48 V 8.84 4.16 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 0.93 0.00 0.00 1.13 0.00 0.00 49 I 8.58 4.40 1.91 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 1.39 0.88 0.96 0.00 0.00 50 E 8.25 4.54 0.00 2.07 1.90 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 2.35 2.37 0.00 51 G 8.79 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 52 G 7.78 4.00 0.00 0.00 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0.00 0.00 0.00 72 F 8.14 4.56 0.00 3.34 3.02 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 0.00 0.00 0.00 73 T 7.32 4.69 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 1.00 0.00 0.00 74 E 9.17 4.35 0.00 2.02 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 2.35 2.58 0.00 75 Y 8.71 4.88 0.00 2.84 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 76 P 0.00 4.71 0.00 2.22 2.16 0.00 3.70 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 77 E 8.98 3.94 0.00 1.99 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 2.35 2.37 0.00 78 G 8.04 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 0.00 0.00 0.00 79 I 7.68 4.44 2.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.66 0.85 0.00 0.00 80 V 8.41 3.50 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 0.74 0.00 0.00 0.93 0.00 0.00 81 D 8.05 3.45 0.00 2.36 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 82 Y 7.61 3.72 0.00 2.59 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 0.00 0.00 0.00 83 F 7.34 4.11 0.00 3.18 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 84 K 8.32 3.91 0.00 1.63 1.72 0.00 1.52 0.00 0.00 1.11 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.22 1.59 7.81 85 N 7.60 3.93 0.00 2.64 2.62 0.00 0.00 7.05 7.61 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 86 S 7.52 4.25 0.00 4.08 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 87 C 7.05 4.83 0.00 3.19 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.48 0.00 2.26 2.33 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 89 A 8.10 3.90 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 G 10.07 4.51 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 0.00 0.00 0.00 91 Y 8.18 5.33 0.00 3.45 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 92 T 9.45 5.08 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 1.16 0.00 0.00 93 W 7.75 6.11 0.00 3.33 3.50 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 94 H 8.77 5.27 0.00 3.03 3.10 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 9.35 5.82 0.00 1.96 1.83 0.00 2.94 0.00 0.00 2.96 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.43 0.00 96 S 8.46 4.95 0.00 3.81 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 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3.04 2.25 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 0.00 106 I 8.27 4.76 1.70 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.28 0.77 0.00 0.00 107 C 8.45 5.11 0.00 2.90 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 0.00 108 S 8.74 4.53 0.00 3.48 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 6.71 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.85 4.82 0.00 2.54 2.39 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 0.00 111 I 8.61 5.03 1.80 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 1.62 0.89 1.09 0.00 0.00 112 T 8.85 5.28 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 113 V 8.58 4.50 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.97 0.00 0.00 114 N 9.40 4.77 0.00 3.11 2.90 0.00 0.00 6.49 8.31 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 0.00 115 V 8.51 3.63 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 0.98 0.00 0.00 0.97 0.00 0.00 116 R 8.23 3.95 0.00 1.98 2.09 0.00 3.11 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.69 0.00 117 E 9.16 4.15 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 118 N 8.09 4.18 0.00 2.95 2.81 0.00 0.00 6.45 7.01 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 0.00 119 C 8.06 5.04 0.00 3.01 2.43 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 0.00 120 I 8.39 4.72 1.89 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 1.23 0.53 1.04 0.00 0.00 121 Y 8.99 4.91 0.00 2.99 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 0.00 122 H 9.35 5.41 0.00 3.18 3.24 0.00 5.72 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.96 5.09 0.00 1.85 1.78 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 2.24 2.35 0.00 124 S 9.17 5.10 0.00 3.76 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 0.00 125 T 8.70 4.87 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 1.14 0.00 0.00 126 F 8.39 4.83 0.00 3.13 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 0.00 127 Y 8.30 5.41 0.00 2.84 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 G 9.17 4.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.35 4.91 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 0.88 0.00 0.00 0.97 0.00 0.00 130 N 9.49 4.07 0.00 2.80 2.87 0.00 0.00 6.98 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 0.00 131 F 8.39 4.57 0.00 3.08 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 0.00 132 P 0.00 4.31 0.00 2.21 2.02 0.00 3.81 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.15 0.00 133 A 8.78 3.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.00 4.70 0.00 2.77 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 0.00 135 G 7.90 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 0.00 0.00 0.00 136 P 0.00 4.14 0.00 1.84 2.02 0.00 3.31 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.13 0.00 137 V 7.16 3.29 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.60 0.00 0.00 138 M 7.73 4.18 0.00 2.00 2.31 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 2.65 2.63 0.00 139 K 7.60 4.20 0.00 1.74 1.74 0.00 1.81 0.00 0.00 1.64 0.00 0.00 3.17 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.58 1.54 7.81 140 K 7.47 3.61 0.00 1.71 1.67 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.17 1.28 7.81 141 M 8.25 4.53 0.00 1.78 1.90 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 142 T 7.53 4.70 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 0.98 0.00 0.00 143 T 8.34 4.39 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 1.13 0.00 0.00 144 N 7.52 4.73 0.00 2.60 2.72 0.00 0.00 7.09 7.68 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 0.00 145 W 8.70 4.94 0.00 3.19 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 0.00 146 E 9.27 4.38 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 147 P 0.00 4.64 0.00 1.92 2.07 0.00 3.63 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 148 S 8.68 4.71 0.00 3.81 3.89 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 0.00 149 C 8.38 4.98 0.00 2.79 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 0.00 150 E 9.60 4.57 0.00 2.15 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 2.41 2.37 0.00 151 K 9.08 4.78 0.00 2.16 1.92 0.00 1.41 0.00 0.00 1.61 0.00 0.00 2.69 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.39 1.51 7.81 152 I 8.94 4.93 1.56 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.11 0.87 0.00 0.00 153 I 8.90 5.08 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.73 0.94 0.00 0.00 154 P 0.00 4.98 0.00 2.07 2.14 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.13 0.00 155 I 8.45 4.37 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.67 0.93 0.00 0.00 156 N 8.77 4.30 0.00 2.80 2.89 0.00 0.00 6.73 7.57 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 0.00 157 S 8.22 3.97 0.00 3.98 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 Q 7.50 4.48 0.00 1.88 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 159 K 7.91 3.90 0.00 1.93 1.93 0.00 1.67 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.56 7.81 160 I 7.16 4.89 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.83 1.04 0.00 0.00 161 L 8.52 5.15 0.00 1.59 1.51 0.17 0.32 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 0.00 162 K 9.42 5.06 0.00 1.77 1.65 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.50 7.81 163 G 9.45 4.81 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 0.00 164 D 8.98 5.40 0.00 2.79 2.54 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 0.00 165 V 8.56 4.64 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 0.48 0.00 0.00 0.86 0.00 0.00 166 S 8.71 4.55 0.00 3.86 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 0.00 167 M 8.67 4.59 0.00 1.35 1.23 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.73 0.00 168 Y 8.48 5.22 0.00 2.93 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 0.00 169 L 9.19 4.62 0.00 1.65 1.40 0.63 -0.70 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 0.00 170 L 8.94 4.69 0.00 1.58 1.55 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 171 L 8.79 4.94 0.00 1.73 1.49 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 172 K 9.01 3.77 0.00 1.60 1.84 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.39 7.81 173 D 7.89 4.38 0.00 2.74 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 0.00 174 G 8.34 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 0.00 0.00 0.00 175 G 8.56 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 0.00 176 R 8.46 5.41 0.00 1.83 2.12 0.00 3.06 0.00 0.00 3.02 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 177 Y 8.93 5.06 0.00 2.94 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 0.00 178 R 9.96 4.41 0.00 1.56 1.44 0.00 3.33 0.00 0.00 3.06 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.64 0.00 179 C 8.32 4.87 0.00 2.67 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 0.00 180 Q 8.56 4.72 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 181 F 9.04 5.47 0.00 3.01 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 0.00 182 D 8.88 5.39 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 T 8.95 5.15 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 0.71 0.00 0.00 184 I 8.26 4.82 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.49 0.97 0.00 0.00 185 Y 9.31 5.48 0.00 2.93 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 0.00 186 K 9.68 5.21 0.00 1.83 1.84 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.52 7.81 187 A 9.31 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 K 8.95 4.15 0.00 1.93 1.92 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.53 7.81 189 T 7.42 4.56 4.23 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 1.21 0.00 0.00 190 E 8.87 3.78 0.00 1.92 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 2.30 2.42 0.00 191 P 0.00 4.21 0.00 2.07 1.74 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.85 0.00 192 K 8.37 4.34 0.00 1.69 1.82 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.40 7.81 193 E 7.68 4.76 0.00 1.84 1.75 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 2.17 2.27 0.00 194 M 8.39 4.82 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 195 P 0.00 4.55 0.00 2.18 2.19 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 1.93 1.91 0.00 196 D 8.06 4.78 0.00 2.50 2.52 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 0.00 0.00 0.00 0.00 197 W 8.40 4.78 0.00 3.42 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 0.00 198 H 8.95 4.00 0.00 3.18 3.08 0.00 5.24 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 F 9.36 5.61 0.00 3.19 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 0.00 200 I 8.80 4.89 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.73 0.63 0.00 0.00 201 Q 8.73 4.82 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 202 H 9.02 5.43 0.00 2.97 3.10 0.00 5.57 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 K 8.90 4.63 0.00 1.79 1.62 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.38 7.81 204 L 8.70 5.16 0.00 1.66 1.60 0.97 1.10 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 0.00 205 N 9.02 5.29 0.00 2.68 2.70 0.00 0.00 6.02 7.20 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 0.00 206 R 9.34 5.15 0.00 1.77 1.87 0.00 2.72 0.00 0.00 2.84 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 207 E 9.52 4.58 0.00 2.02 1.83 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 2.22 2.24 0.00 208 D 8.75 4.91 0.00 2.68 2.54 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 0.00 209 R 8.83 4.85 0.00 1.71 1.87 0.00 3.33 0.00 0.00 3.32 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 210 S 8.80 4.63 0.00 3.96 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 0.00 211 D 8.60 4.68 0.00 2.83 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 0.00 212 A 8.63 4.05 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 K 7.73 4.22 0.00 1.98 1.87 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.40 7.81 214 N 8.98 5.06 0.00 2.72 2.66 0.00 0.00 6.68 7.79 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 0.00 215 Q 8.39 4.96 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.65 2.44 0.00 216 K 9.55 4.96 0.00 1.82 1.73 0.00 1.33 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.50 7.81 217 W 8.19 5.69 0.00 3.52 3.25 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 0.00 218 Q 9.57 5.08 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.51 0.00 219 L 8.98 5.41 0.00 1.46 1.50 1.04 1.10 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 0.00 220 I 8.56 4.75 1.76 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.87 0.45 0.00 0.00 221 E 8.64 5.26 0.00 1.98 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 2.20 2.23 0.00 222 H 9.04 5.45 0.00 3.16 3.02 0.00 5.60 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 0.00 223 A 9.46 5.69 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 0.00 224 I 8.02 4.96 1.81 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 1.19 1.55 0.82 0.00 0.00 225 A 8.51 4.96 0.15 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 0.00 226 S 8.26 4.40 0.00 3.87 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 0.00 227 R 8.17 4.18 0.00 1.67 1.64 0.00 2.37 0.00 0.00 2.58 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.29 0.00 228 S 8.62 4.52 0.00 4.18 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 0.00 229 A 8.65 4.42 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 0.00 230 L 7.93 4.59 0.00 1.71 1.65 1.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 231 P 0.00 4.44 0.00 2.05 2.02 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.