NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4740 8.3049 118.1934 54.6727 33.2235 176.1599 2 L 3.8923 7.9489 119.2568 55.0063 42.0765 175.1937 3 G 3.9920 8.8906 107.1129 46.2388 0.0000 173.4955 4 L 4.2052 8.0446 118.2831 54.5730 42.3477 177.4777 5 K 4.5670 8.4359 120.7436 56.2512 32.7512 176.5899 6 T 4.1859 7.6484 109.0604 61.7110 69.5917 174.8312 7 S 4.3455 9.4675 119.6518 61.2348 63.5326 174.6653 8 I 4.3082 8.4320 117.9983 62.8531 39.1272 175.7874 9 I 4.0144 7.8745 122.7516 63.7883 36.7851 176.1922 10 G 4.1733 9.1359 114.5555 45.1931 0.0000 174.1889 11 R 4.1100 8.0235 119.0707 58.7386 30.4801 177.0653 12 R 4.8463 7.7142 114.6242 54.3750 34.8265 174.6347 13 V 4.8908 8.3977 121.0023 61.3870 34.7366 174.3130 14 I 4.4210 9.3541 129.1278 59.9009 39.1256 173.8179 15 Y 5.2407 8.5222 128.5951 56.0735 40.6331 174.6023 16 F 4.3006 8.4582 124.1955 55.4404 41.8976 176.1361 17 Q 4.1299 8.3235 121.9699 58.1923 29.6447 175.9908 18 E 5.0657 7.8581 116.8976 54.9435 32.9689 174.0598 19 I 4.4617 8.2523 124.0654 60.0583 41.9036 175.5838 20 T 4.1888 8.5210 115.8384 63.6214 69.7554 174.3251 21 S 4.8728 7.5380 116.2447 55.2445 65.6658 175.1550 22 T 3.8480 9.3576 119.5187 64.8215 68.4333 176.7569 23 N 4.3132 7.9896 119.0145 56.0685 38.6580 176.7954 24 E 3.9306 8.0232 120.5082 59.2068 29.5618 178.6149 25 F 3.9996 8.3015 120.5250 61.2813 39.2378 177.0070 26 A 4.0051 8.0768 119.2970 54.9035 18.1726 179.4730 27 K 4.0818 7.7829 116.6499 59.3068 32.3936 178.8393 28 T 4.1977 7.5995 106.8871 61.3629 69.6053 174.6028 29 S 4.5652 6.7431 117.8708 56.5544 65.4584 173.1064 30 Y 4.2102 8.4279 125.2914 57.2216 38.8529 174.8179 31 L 4.5528 7.3179 126.0989 52.5765 46.0869 176.3337 32 E 3.9917 8.2636 121.3428 55.5947 30.2367 176.1083 33 E 4.1565 8.4077 122.0806 58.0610 30.2256 177.4206 34 G 4.3523 9.2709 113.9671 46.4426 0.0000 173.2952 35 T 4.4947 7.7002 117.4944 63.6707 69.7262 173.4166 36 V 4.8496 8.8312 126.2247 61.2663 34.1696 174.1731 37 I 5.1787 9.0466 129.2049 59.6573 39.3863 175.0540 38 V 5.2031 9.2125 126.1732 60.0696 34.9369 174.3634 39 A 5.1424 8.7054 123.1786 50.4153 21.4846 176.0469 40 D 4.6768 9.0849 120.6326 57.1445 42.3026 176.5999 41 K 5.0081 8.0962 117.6831 55.0664 36.2305 174.9394 42 Q 5.1721 8.3792 124.5890 54.4919 30.9783 175.8221 43 T 4.2590 9.0012 113.4989 62.3957 70.7346 174.8938 44 M 4.9221 8.1262 122.6210 54.6115 32.7073 176.3141 45 G 3.8870 8.1772 105.8476 46.8525 0.0000 173.4000 46 H 5.3515 8.3371 117.4544 54.6224 32.4345 172.9476 47 G 3.6299 8.1763 109.5169 44.2241 0.0000 172.7340 48 A 3.8727 8.5720 126.7064 53.4419 19.0633 178.9019 49 L 3.6068 8.1511 122.5617 54.8578 41.8862 173.9843 50 N 4.5593 8.3263 112.5509 52.1472 37.2993 174.6852 *52 K 4.3328 7.6503 119.6785 55.4762 34.1795 175.2735 53 W 4.5415 8.4933 132.0140 55.2163 32.6570 174.9439 54 E 3.7126 8.1679 127.4623 56.0665 29.3935 178.2220 55 S 2.9979 7.6465 120.7537 56.1010 63.6073 171.2870 56 P 4.8152 0.0000 0.0000 61.6643 32.8068 176.1454 57 E 4.6640 7.9938 117.8691 57.3491 29.8654 177.1284 58 G 4.0005 9.0346 110.4078 45.3420 0.0000 173.8029 59 G 3.4136 7.2987 105.1006 44.3645 0.0000 172.9760 60 L 4.1936 7.4015 121.9068 53.0104 43.8218 175.3721 61 W 5.5325 8.2436 127.5738 55.0864 31.6450 174.7807 62 L 5.3981 8.9535 124.4373 54.5871 44.2018 175.0846 63 S 5.1931 9.3647 115.0000 56.9150 67.5372 173.2192 64 I 4.9430 8.5659 123.3758 59.4892 40.7148 174.6940 65 V 4.3715 8.5057 127.1016 62.1534 32.6357 174.7900 66 L 4.9424 9.2012 127.2979 52.6035 45.8882 176.5497 67 S 4.7978 8.7519 114.6887 56.1538 62.5668 172.5214 68 P 4.4463 0.0000 0.0000 63.3266 32.2751 178.5751 69 K 4.3544 8.4691 126.0174 55.1451 30.6349 175.6939 70 V 4.4884 7.0760 112.4468 58.1213 35.9883 174.3034 71 P 4.3507 0.0000 0.0000 62.8828 31.8013 177.2825 72 Q 4.0312 9.0378 122.3343 59.5677 28.6160 179.3099 73 K 4.2545 8.0727 116.7989 59.1076 33.0308 177.7084 74 D 4.7394 8.2421 120.0955 56.0069 41.0605 178.1333 75 L 4.1540 7.7474 119.8652 57.6284 41.4475 177.7383 76 P 4.3975 0.0000 0.0000 65.0095 31.7407 177.1761 77 K 4.3692 8.5166 116.7855 57.0970 32.5534 178.7494 78 I 3.3827 7.5021 121.9918 64.2536 36.9357 178.2769 79 V 3.3896 7.4443 119.3947 64.9706 30.8156 178.3708 80 F 4.3945 7.4318 117.8385 59.9867 38.5779 177.6555 81 L 4.0685 7.7827 119.1999 57.6133 41.4058 179.7322 82 G 3.4519 7.8956 104.9105 47.6342 0.0000 175.4196 83 A 3.9776 7.8102 123.4608 54.9174 18.3651 179.9637 84 V 3.6744 8.2086 117.2114 65.9455 31.5985 178.3472 85 G 3.6216 8.3060 105.7601 47.8385 0.0000 175.8089 86 V 3.5774 7.8595 120.6489 65.6371 31.5752 178.2221 87 V 3.5861 7.8141 117.9881 66.1493 31.1360 177.8552 88 E 4.0129 8.2591 117.3651 59.7015 29.4513 179.2428 89 T 4.1292 8.0431 115.7409 66.6472 68.4581 176.7032 90 L 4.0387 8.2588 121.2793 57.8292 41.6391 179.5531 91 K 4.1767 8.1444 120.7772 59.0341 31.8735 178.7080 92 E 4.0265 7.9827 117.6992 58.6093 29.3244 178.2219 93 F 4.4583 8.0016 115.1860 56.5651 39.4512 175.5463 94 S 3.9141 8.1487 113.1390 59.9112 60.0807 170.7949 95 I 4.4315 8.1184 120.6711 59.6328 39.2632 175.0713 96 D 4.6631 8.6802 125.4523 53.0312 40.1295 175.7078 97 G 4.1934 8.2402 111.0987 44.8477 0.0000 171.3270 98 R 4.9608 8.9622 121.1741 53.9817 34.4816 174.7446 99 I 4.4527 8.9969 124.7006 61.0600 38.7913 175.0163 100 K 4.8959 9.2704 129.8465 54.3313 32.8254 175.3668 101 W 4.5672 9.0853 135.0000 57.6664 30.8960 173.8309 102 P 4.2405 0.0000 0.0000 62.5848 31.9941 175.1598 103 N 4.9182 7.7634 114.7225 52.2716 39.2454 173.2191 104 D 5.4928 8.2926 119.0735 52.7971 44.8805 175.0095 105 V 4.8648 8.6157 120.2954 61.2409 34.3970 174.4691 106 L 5.3148 9.2500 127.3417 52.9277 45.6893 175.6834 107 V 4.4489 8.5175 121.0064 61.2646 34.2712 175.4312 108 N 4.3153 9.5653 126.8612 54.8627 35.9605 174.5967 109 Y 3.4813 7.9084 110.7555 58.3729 35.9876 169.6005 110 K 4.5561 7.8633 120.2680 54.1014 34.1106 175.4576 111 A 4.6111 8.6788 125.8093 52.5482 18.8484 177.2556 112 I 4.5883 9.3115 121.9720 60.3270 40.9690 174.6885 113 A 5.3728 7.9540 121.4774 51.3516 22.5902 175.2065 114 G 4.2424 8.9594 105.9348 44.4511 0.0000 171.8115 115 V 4.7603 8.2968 121.9852 60.5730 34.4238 174.7421 116 L 4.5167 8.8674 128.8944 53.4003 45.2105 174.7701 117 V 4.7138 8.3692 126.3777 61.3749 33.2054 174.3026 118 E 4.8382 9.0220 126.2672 54.5861 34.0081 174.5061 119 G 4.4636 8.3191 106.2067 45.1829 0.0000 172.9756 120 K 4.2878 8.9930 121.1675 56.2124 34.6966 175.3299 121 G 3.8939 8.4770 118.2987 47.2467 0.0000 172.8745 122 D 4.7898 8.7572 125.1856 53.9396 41.4130 175.4428 123 K 4.6445 7.8095 121.4002 55.2140 34.2344 175.1995 124 I 4.8441 9.2169 128.2269 59.4676 40.3113 174.5586 125 V 4.6025 8.7720 127.1110 61.1106 33.7141 174.1712 126 L 4.5937 8.9293 132.1275 53.8013 43.1351 175.0584 127 G 4.5772 8.7190 114.8956 43.9553 0.0000 171.6574 128 I 4.9615 9.0179 124.9494 59.2131 41.4419 174.4384 129 G 4.5930 8.8233 114.2239 44.3101 0.0000 171.5141 130 L 5.3554 8.9470 127.6617 53.1518 45.5044 175.0643 131 N 4.5075 9.4773 124.9626 53.8432 39.1082 173.8476 132 V 4.1788 9.0619 123.8672 62.2553 33.2212 175.6554 133 N 5.0776 8.4622 120.5814 52.8542 40.2213 174.6702 134 N 4.8480 8.0697 116.5295 52.0831 38.6981 175.2232 135 K 4.2319 8.5747 119.1346 56.5269 32.8549 177.1078 136 V 4.4948 7.8233 114.2216 58.5342 35.3900 174.0071 137 P 4.3706 0.0000 0.0000 62.1902 31.8516 175.8734 138 N 4.5166 8.4184 117.7766 55.2348 38.7559 175.9124 139 G 3.8657 9.0796 110.7799 45.0121 0.0000 172.8004 140 A 4.6405 7.4414 120.9608 51.1687 21.4684 175.1459 141 T 4.8143 8.6753 112.6906 61.4201 71.8084 172.1116 142 S 4.8099 8.3100 115.9239 56.1008 66.3857 175.1591 143 M 4.0155 8.7253 120.2377 58.3370 31.4304 179.1494 144 K 4.3690 8.2253 121.4102 59.1315 32.1950 178.9857 145 L 4.0039 7.8079 118.0686 57.7324 41.5589 179.0156 146 E 4.1519 8.2670 118.0437 58.6888 29.5665 178.3864 147 L 4.4799 8.1890 117.2575 54.1844 42.2923 177.8088 148 G 3.9579 9.5934 106.9198 45.3739 0.0000 173.0609 149 S 4.5787 7.3052 112.0473 56.5336 65.4514 173.5465 150 E 4.2510 8.6444 122.4879 56.2990 29.9795 176.0646 151 V 4.3275 8.8383 125.2511 60.0175 33.6039 173.2532 152 P 4.2484 0.0000 0.0000 62.7213 31.5042 176.5155 153 L 3.8613 8.7365 126.0566 58.2666 41.8573 178.5933 154 L 4.0359 7.9059 119.8103 58.0555 42.0171 178.9122 155 S 4.2205 8.0598 114.1141 61.3151 62.8539 176.7617 156 V 3.5092 7.7503 121.4870 65.5302 31.2628 177.5094 157 F 4.0270 8.2598 120.4397 61.4302 39.2501 177.2046 158 R 3.8914 8.4582 117.8296 59.3195 29.8901 178.9695 159 S 4.0778 8.1048 112.7516 61.3341 62.4254 175.9701 160 L 4.1084 7.9621 124.4783 57.7556 41.8015 178.9413 161 I 3.5186 7.5634 119.8944 64.5002 37.0231 178.5882 162 T 3.8270 7.8024 116.5351 66.7315 68.3083 176.5080 163 N 4.3654 8.2428 118.3578 56.3165 38.5022 177.5424 164 L 3.9859 8.2968 120.8567 57.6879 41.6175 178.9940 165 D 4.3872 8.2753 118.1453 57.3280 41.2932 178.3555 166 R 3.8940 7.8790 118.6237 59.5069 30.0911 178.4701 167 L 4.0649 8.0831 118.8174 57.9167 41.5978 178.9703 168 Y 4.2535 8.5204 119.8604 60.8313 38.5883 177.8897 169 L 3.8706 7.9955 118.7869 57.8652 41.9053 178.7953 170 N 4.4441 8.1864 116.6577 56.3743 37.8832 176.6725 171 F 3.9714 8.3964 122.3668 61.3916 39.2221 177.1241 172 L 3.9426 7.6667 117.4349 56.8523 41.3290 178.7257 173 K 4.3305 7.0541 117.3283 56.6819 34.7369 176.6581 174 N 4.9380 8.5472 116.9010 50.3129 38.5544 173.2938 175 P 4.0278 0.0000 0.0000 64.7076 31.9104 178.1144 176 M 4.2990 7.7798 118.2941 57.1312 32.8915 177.7924 177 D 4.3942 8.1127 119.3170 57.5007 40.8308 178.5278 178 I 3.7519 7.9442 118.4541 64.1138 37.8863 177.6825 179 L 3.7989 7.8076 119.7178 57.7969 41.4000 179.2592 180 N 4.3272 8.0168 116.1599 56.2080 38.2297 177.5261 181 L 4.0135 7.7606 119.1949 57.5601 42.0972 179.2642 182 V 3.6661 7.8873 118.3443 65.9486 31.2611 177.8967 183 R 3.8748 7.7683 117.1686 59.6567 30.0185 177.6048 184 D 4.6662 7.9750 115.4190 55.3933 41.2306 176.5211 185 N 5.0035 8.1269 116.5119 52.6410 39.9338 173.2981 186 M 5.1841 7.8006 115.2554 53.3968 34.3533 175.3778 187 I 4.1607 8.3759 121.1096 61.0255 37.5546 175.4951 188 L 4.7622 8.2097 125.9119 53.5971 46.0192 176.9465 189 G 3.9303 9.4016 106.9900 45.9194 0.0000 173.5878 190 V 4.6487 7.3269 111.6485 58.8758 36.1201 174.6639 191 R 4.7016 8.4927 122.5415 56.5771 31.3813 175.5824 192 V 5.0791 9.1003 118.2978 59.6044 36.9847 174.0503 193 K 4.8235 8.9082 123.0832 54.7526 35.3879 174.8082 194 I 4.5576 7.9436 128.5285 59.9682 38.3321 175.6937 195 L 4.3084 8.4852 127.9827 54.6850 42.8643 176.6359 196 G 3.7815 8.5194 104.7322 44.0962 0.0000 171.8807 197 D 4.3428 8.5126 119.0573 55.4319 41.5718 177.1438 198 G 3.9241 8.8631 114.4802 46.2916 0.0000 173.3810 199 S 4.6481 7.7234 113.7587 58.1866 63.0419 173.1274 200 F 5.0500 8.0086 118.6887 56.1462 41.1522 172.2720 201 E 5.0927 9.0457 117.9593 54.4717 33.3623 175.5752 202 G 4.0367 7.9789 107.4165 46.6800 0.0000 171.3415 203 I 4.7725 7.9991 120.8540 60.2485 38.8875 175.8981 204 A 4.3678 9.0278 129.6352 51.9220 18.1267 177.8091 205 E 3.9345 9.1485 122.2349 59.6042 30.5428 176.5237 206 D 4.4653 7.0765 116.1497 54.3080 45.1650 174.3759 207 I 4.8415 8.3901 111.9821 59.0774 40.2758 175.3013 208 D 4.8482 8.4888 122.4569 52.2800 41.6279 176.3614 209 D 4.4906 8.8053 117.3829 55.5478 39.4146 176.4521 210 F 4.5107 9.0323 118.1024 57.1072 39.6052 176.4993 211 G 4.3030 8.6300 109.2431 45.5402 0.0000 174.0719 212 R 4.7621 8.2635 118.9267 55.8362 31.7656 175.4105 213 L 3.9923 8.1338 125.5875 54.6161 43.3064 175.4448 214 I 4.7094 8.8316 127.9612 60.2173 38.8332 174.6355 215 I 4.9254 8.6860 128.5051 59.4036 40.2661 174.6711 216 R 4.8880 8.8153 127.7040 54.6302 31.4546 175.9351 217 L 4.7843 8.9252 127.4436 54.1540 42.5224 178.0605 218 D 4.5149 8.6808 120.5514 57.4791 40.8335 178.4548 219 S 4.1904 7.9416 112.2028 59.4074 63.3343 174.9007 220 G 4.0191 8.3170 109.6305 44.9676 0.0000 173.7272 221 E 4.0139 7.9915 121.1898 56.5592 30.8278 175.6609 222 V 4.8284 8.2731 125.5144 61.1075 33.5292 174.6901 223 K 4.6522 8.8627 126.6613 54.4227 35.7778 175.1336 224 K 4.8778 8.5521 122.1030 54.7719 34.4223 175.5621 225 V 4.3986 8.7728 126.3336 61.4995 33.0774 175.3644 226 I 4.6206 8.6547 128.7579 60.9431 38.1604 175.1753 227 Y 4.5276 7.9338 121.8674 56.7728 38.2913 177.2067 228 G 3.7789 8.0938 110.4856 48.8750 0.0000 176.2836 229 D 4.6933 7.4431 118.8639 50.9888 39.1944 175.8204 230 V 3.8057 7.6435 118.1433 62.5346 32.7977 175.4920 231 S 4.6588 8.5881 116.5356 56.6830 64.4120 172.1405 232 L 5.1875 8.5455 128.7764 53.1884 44.9533 175.3435 233 R 4.6034 8.4999 124.2279 54.4705 33.6495 173.9828 234 F 5.0024 8.8031 124.4071 57.1417 40.1680 175.5990 235 L 4.4056 8.7062 122.3694 54.8707 41.3008 176.4455 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.47 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 2 L 7.95 3.89 0.00 1.77 1.81 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 3 G 8.89 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 0.00 0.00 0.00 4 L 8.04 4.21 0.00 1.69 1.65 1.13 1.03 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 5 K 8.44 4.57 0.00 1.72 1.79 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.58 7.81 6 T 7.65 4.19 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 1.20 0.00 0.00 7 S 9.47 4.35 0.00 3.89 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 8 I 8.43 4.31 2.06 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.36 1.04 0.00 0.00 9 I 7.87 4.01 1.84 0.00 0.00 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 1.16 0.42 0.81 0.00 0.00 10 G 9.14 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 0.00 0.00 0.00 11 R 8.02 4.11 0.00 1.84 2.04 0.00 3.36 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 12 R 7.71 4.85 0.00 1.73 1.79 0.00 3.09 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 13 V 8.40 4.89 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 0.91 0.00 0.00 1.15 0.00 0.00 14 I 9.35 4.42 2.06 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.76 0.65 0.00 0.00 15 Y 8.52 5.24 0.00 2.86 2.77 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 16 F 8.46 4.30 0.00 2.62 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 17 Q 8.32 4.13 0.00 1.95 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.83 0.00 0.00 0.00 0.00 0.00 2.57 2.21 0.00 18 E 7.86 5.07 0.00 1.92 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 2.30 0.00 19 I 8.25 4.46 1.31 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.68 0.73 0.00 0.00 20 T 8.52 4.19 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 21 S 7.54 4.87 0.00 4.04 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 9.36 3.85 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 1.25 0.00 0.00 23 N 7.99 4.31 0.00 2.73 3.00 0.00 0.00 6.80 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.02 3.93 0.00 2.08 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 2.31 2.36 0.00 25 F 8.30 4.00 0.00 3.05 3.07 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 26 A 8.08 4.01 1.39 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 27 K 7.78 4.08 0.00 1.87 1.84 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.73 7.81 28 T 7.60 4.20 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 1.22 0.00 0.00 29 S 6.74 4.57 0.00 3.33 3.42 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 30 Y 8.43 4.21 0.00 2.92 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 31 L 7.32 4.55 0.00 1.45 1.39 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.26 3.99 0.00 2.00 1.85 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 2.41 2.28 0.00 33 E 8.41 4.16 0.00 1.94 1.89 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 2.34 2.46 0.00 34 G 9.27 4.35 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 35 T 7.70 4.49 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 1.28 0.00 0.00 36 V 8.83 4.85 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 1.19 0.00 0.00 1.01 0.00 0.00 37 I 9.05 5.18 1.97 0.00 0.00 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 1.43 1.16 0.93 0.00 0.00 38 V 9.21 5.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.04 0.00 0.00 39 A 8.71 5.14 1.25 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 40 D 9.08 4.68 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 41 K 8.10 5.01 0.00 1.74 1.64 0.00 1.57 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.61 7.81 42 Q 8.38 5.17 0.00 1.70 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.66 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 43 T 9.00 4.26 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 1.18 0.00 0.00 44 M 8.13 4.92 0.00 1.81 2.10 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 45 G 8.18 3.89 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 55 S 7.65 3.00 0.00 3.52 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 56 P 0.00 4.82 0.00 2.29 2.20 0.00 3.75 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 2.27 2.10 0.00 57 E 7.99 4.66 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 58 G 9.03 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 59 G 7.30 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.40 4.19 0.00 1.50 1.30 1.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.24 5.53 0.00 3.30 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 62 L 8.95 5.40 0.00 1.97 1.86 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 63 S 9.36 5.19 0.00 3.73 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.57 4.94 1.74 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.80 0.75 0.00 0.00 65 V 8.51 4.37 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 0.91 0.00 0.00 0.89 0.00 0.00 66 L 9.20 4.94 0.00 1.43 1.36 0.58 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.75 4.80 0.00 3.81 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 68 P 0.00 4.45 0.00 2.50 2.52 0.00 3.91 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 69 K 8.47 4.35 0.00 1.77 1.82 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.42 7.81 70 V 7.08 4.49 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 0.52 0.00 0.00 1.04 0.00 0.00 71 P 0.00 4.35 0.00 2.34 1.98 0.00 3.70 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 2.06 0.00 72 Q 9.04 4.03 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 73 K 8.07 4.25 0.00 2.14 2.08 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.64 7.81 74 D 8.24 4.74 0.00 2.89 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 75 L 7.75 4.15 0.00 1.85 1.83 1.02 1.05 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 76 P 0.00 4.40 0.00 2.26 2.16 0.00 4.00 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 77 K 8.52 4.37 0.00 2.28 2.10 0.00 1.95 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 3.45 0.00 0.00 0.00 0.00 1.95 1.76 7.81 78 I 7.50 3.38 1.76 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.96 0.76 0.00 0.00 79 V 7.44 3.39 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 -0.32 0.00 0.00 0.60 0.00 0.00 80 F 7.43 4.39 0.00 3.20 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 81 L 7.78 4.07 0.00 1.72 1.65 0.62 0.78 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 82 G 7.90 3.45 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 0.00 83 A 7.81 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.21 3.67 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 1.10 0.00 0.00 0.96 0.00 0.00 85 G 8.31 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.86 3.58 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 1.07 0.00 0.00 0.96 0.00 0.00 87 V 7.81 3.59 2.24 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 1.09 0.00 0.00 1.01 0.00 0.00 88 E 8.26 4.01 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 89 T 8.04 4.13 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 1.22 0.00 0.00 90 L 8.26 4.04 0.00 1.85 1.88 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.14 4.18 0.00 1.95 1.99 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.36 7.81 92 E 7.98 4.03 0.00 2.35 1.89 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 2.34 2.57 0.00 93 F 8.00 4.46 0.00 3.08 3.10 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 94 S 8.15 3.91 0.00 4.08 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.12 4.43 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.48 0.93 0.00 0.00 96 D 8.68 4.66 0.00 2.66 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.62 4.86 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 1.08 0.00 0.00 0.94 0.00 0.00 106 L 9.25 5.31 0.00 1.44 1.67 1.05 0.70 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 0.00 107 V 8.52 4.45 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 1.03 0.00 0.00 0.94 0.00 0.00 108 N 9.57 4.32 0.00 2.93 2.92 0.00 0.00 7.23 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Y 7.91 3.48 0.00 3.14 3.07 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 0.00 110 K 7.86 4.56 0.00 2.00 1.74 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.41 7.81 111 A 8.68 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 9.31 4.59 1.91 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 1.15 2.36 1.03 0.00 0.00 113 A 7.95 5.37 1.26 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 0.00 0.00 114 G 8.96 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 0.00 0.00 0.00 0.00 115 V 8.30 4.76 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 0.68 0.00 0.00 0.81 0.00 0.00 116 L 8.87 4.52 0.00 1.51 1.24 0.81 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.37 4.71 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 0.79 0.00 0.00 0.80 0.00 0.00 118 E 9.02 4.84 0.00 1.89 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 2.18 2.18 0.00 119 G 8.32 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.99 4.29 0.00 1.74 1.63 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.58 7.81 121 G 8.48 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 0.00 0.00 0.00 122 D 8.76 4.79 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 7.81 4.64 0.00 1.86 1.86 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.37 7.81 124 I 9.22 4.84 1.96 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 1.12 0.58 0.87 0.00 0.00 125 V 8.77 4.60 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 0.89 0.00 0.00 0.89 0.00 0.00 126 L 8.93 4.59 0.00 1.65 1.41 0.78 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.72 4.58 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 0.00 0.00 0.00 128 I 9.02 4.96 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.92 0.84 0.00 0.00 129 G 8.82 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.95 5.36 0.00 1.71 1.39 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 131 N 9.48 4.51 0.00 2.84 2.80 0.00 0.00 6.04 7.97 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 0.00 132 V 9.06 4.18 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 0.92 0.00 0.00 0.78 0.00 0.00 133 N 8.46 5.08 0.00 2.57 2.79 0.00 0.00 7.21 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 0.00 134 N 8.07 4.85 0.00 2.90 3.09 0.00 0.00 6.15 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.57 4.23 0.00 1.78 1.78 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.41 7.81 136 V 7.82 4.49 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 0.94 0.00 0.00 137 P 0.00 4.37 0.00 2.06 1.86 0.00 3.44 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.92 0.00 138 N 8.42 4.52 0.00 2.69 2.76 0.00 0.00 7.12 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 0.00 139 G 9.08 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 0.00 140 A 7.44 4.64 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 0.00 141 T 8.68 4.81 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 142 S 8.31 4.81 0.00 4.04 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 0.00 143 M 8.73 4.02 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.44 0.00 144 K 8.23 4.37 0.00 2.05 1.82 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.40 7.81 145 L 7.81 4.00 0.00 1.83 1.73 0.93 0.73 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 0.00 146 E 8.27 4.15 0.00 2.10 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 2.57 2.50 0.00 147 L 8.19 4.48 0.00 1.70 1.75 1.03 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 148 G 9.59 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 0.00 149 S 7.31 4.58 0.00 3.99 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 0.00 150 E 8.64 4.25 0.00 1.95 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 2.37 2.30 0.00 151 V 8.84 4.33 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 0.79 0.00 0.00 0.92 0.00 0.00 152 P 0.00 4.25 0.00 2.29 2.04 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 153 L 8.74 3.86 0.00 1.69 1.62 0.81 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.91 4.04 0.00 1.73 1.64 0.85 0.85 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 0.00 155 S 8.06 4.22 0.00 4.26 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 0.00 156 V 7.75 3.51 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 0.87 0.00 0.00 0.51 0.00 0.00 157 F 8.26 4.03 0.00 3.16 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 0.00 158 R 8.46 3.89 0.00 2.12 2.02 0.00 3.25 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 1.79 2.01 0.00 159 S 8.10 4.08 0.00 4.09 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 L 7.96 4.11 0.00 1.76 1.60 0.86 1.12 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 0.00 161 I 7.56 3.52 1.53 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 -0.36 0.76 0.00 0.00 162 T 7.80 3.83 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 1.21 0.00 0.00 163 N 8.24 4.37 0.00 2.85 3.00 0.00 0.00 7.09 6.34 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 0.00 164 L 8.30 3.99 0.00 1.57 1.64 0.81 0.79 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 0.00 165 D 8.28 4.39 0.00 2.89 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 0.00 166 R 7.88 3.89 0.00 1.96 2.08 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 167 L 8.08 4.06 0.00 1.93 1.76 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 168 Y 8.52 4.25 0.00 3.06 3.18 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 0.00 169 L 8.00 3.87 0.00 1.75 1.72 1.12 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 170 N 8.19 4.44 0.00 2.89 2.85 0.00 0.00 6.82 7.04 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 0.00 171 F 8.40 3.97 0.00 3.29 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 0.00 172 L 7.67 3.94 0.00 1.63 1.54 0.61 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 173 K 7.05 4.33 0.00 1.83 1.78 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.37 7.81 174 N 8.55 4.94 0.00 2.66 2.66 0.00 0.00 6.78 7.91 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 0.00 175 P 0.00 4.03 0.00 1.85 1.35 0.00 3.67 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 1.81 1.73 0.00 176 M 7.78 4.30 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 177 D 8.11 4.39 0.00 2.94 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 0.00 178 I 7.94 3.75 2.03 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 1.74 1.29 1.13 0.00 0.00 179 L 7.81 3.80 0.00 1.79 1.64 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 180 N 8.02 4.33 0.00 2.80 2.85 0.00 0.00 7.00 8.04 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 0.00 181 L 7.76 4.01 0.00 1.77 1.73 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 182 V 7.89 3.67 1.92 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 0.80 0.00 0.00 0.72 0.00 0.00 183 R 7.77 3.87 0.00 1.89 2.10 0.00 3.29 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 184 D 7.97 4.67 0.00 2.70 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 0.00 185 N 8.13 5.00 0.00 2.83 2.75 0.00 0.00 6.47 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 0.00 186 M 7.80 5.18 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.74 0.00 187 I 8.38 4.16 2.09 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.62 0.80 0.00 0.00 188 L 8.21 4.76 0.00 1.49 1.55 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 189 G 9.40 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 0.00 0.00 0.00 190 V 7.33 4.65 2.19 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 0.81 0.00 0.00 1.20 0.00 0.00 191 R 8.49 4.70 0.00 1.94 1.84 0.00 3.15 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 192 V 9.10 5.08 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 0.78 0.00 0.00 0.89 0.00 0.00 193 K 8.91 4.82 0.00 1.71 1.53 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.21 1.41 7.81 194 I 7.94 4.56 0.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.10 0.85 0.00 0.00 195 L 8.49 4.31 0.00 1.50 1.58 0.91 1.10 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 0.00 196 G 8.52 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 0.00 197 D 8.51 4.34 0.00 2.65 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 0.00 198 G 8.86 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 0.00 199 S 7.72 4.65 0.00 4.09 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 0.00 200 F 8.01 5.05 0.00 3.10 3.10 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 0.00 201 E 9.05 5.09 0.00 1.87 1.88 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 2.17 2.27 0.00 202 G 7.98 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 0.00 0.00 0.00 203 I 8.00 4.77 2.01 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 1.19 0.95 0.94 0.00 0.00 204 A 9.03 4.37 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 0.00 205 E 9.15 3.93 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.40 0.00 206 D 7.08 4.47 0.00 2.73 2.47 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 0.00 207 I 8.39 4.84 1.88 0.00 0.00 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 1.41 0.81 0.78 0.00 0.00 208 D 8.49 4.85 0.00 3.04 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 0.00 209 D 8.81 4.49 0.00 2.69 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 0.00 210 F 9.03 4.51 0.00 3.27 3.29 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 0.00 211 G 8.63 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 0.00 212 R 8.26 4.76 0.00 2.27 2.01 0.00 3.16 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.87 0.00 213 L 8.13 3.99 0.00 0.27 0.51 0.47 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 214 I 8.83 4.71 1.90 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 1.30 0.86 0.89 0.00 0.00 215 I 8.69 4.93 2.09 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 1.11 0.82 1.10 0.00 0.00 216 R 8.82 4.89 0.00 1.88 1.91 0.00 3.09 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 217 L 8.93 4.78 0.00 1.85 1.59 0.85 0.70 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 0.00 218 D 8.68 4.51 0.00 2.69 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 0.00 219 S 7.94 4.19 0.00 3.97 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 0.00 220 G 8.32 4.02 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 0.00 0.00 0.00 221 E 7.99 4.01 0.00 2.05 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 222 V 8.27 4.83 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 0.85 0.00 0.00 0.92 0.00 0.00 223 K 8.86 4.65 0.00 1.47 1.44 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.64 0.00 0.00 2.22 0.00 0.00 0.00 0.00 1.03 1.01 7.81 224 K 8.55 4.88 0.00 1.60 1.73 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.37 7.81 225 V 8.77 4.40 1.95 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 1.27 0.00 0.00 1.09 0.00 0.00 226 I 8.65 4.62 1.92 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 1.45 0.92 0.76 0.00 0.00 227 Y 7.93 4.53 0.00 2.38 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 G 8.09 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 0.00 229 D 7.44 4.69 0.00 2.73 2.65 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 0.00 0.00 0.00 0.00 230 V 7.64 3.81 2.45 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 0.61 0.00 0.00 1.17 0.00 0.00 231 S 8.59 4.66 0.00 3.89 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 0.00 232 L 8.55 5.19 0.00 1.72 1.49 0.99 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 233 R 8.50 4.60 0.00 1.86 1.64 0.00 3.13 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 234 F 8.80 5.00 0.00 3.07 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 0.00 235 L 8.71 4.41 0.00 1.57 1.59 0.96 0.70 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 * Residues marked with a * may have inaccurate shift predictions.