NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3196 8.3331 119.6370 56.0473 30.2194 176.0280 4 G 4.1997 7.8211 106.9778 45.3518 0.0000 169.9046 5 T 4.6383 9.3091 116.6649 61.2959 72.0974 172.1305 6 L 4.4580 8.1763 127.7968 54.6156 43.7277 174.6250 7 Y 4.9196 9.0735 125.7904 56.2792 39.9932 175.0456 8 I 4.6035 9.1458 127.0557 60.7605 38.7864 175.2529 9 V 5.0181 9.1071 127.4609 61.3515 34.3754 174.5534 10 S 5.1649 8.8618 122.1655 56.7140 67.7471 172.6965 11 A 3.4481 7.6564 122.4714 50.7725 21.0047 174.7150 12 P 4.5210 0.0000 0.0000 62.0827 32.3518 176.6236 13 S 4.1581 8.2810 115.2898 59.9902 63.1649 175.1086 14 G 3.8858 9.0442 110.3001 45.6039 0.0000 173.7545 15 A 4.4757 7.7980 120.7377 51.0341 19.9219 177.7707 16 G 3.9835 8.1517 104.0747 46.8004 0.0000 176.1349 17 K 3.7988 7.5747 120.3665 59.3683 32.1063 178.4875 18 S 4.0971 8.0630 112.7399 61.5887 62.2829 176.1389 19 S 4.1742 8.0728 117.2209 61.6757 62.7011 176.5036 20 L 3.9721 8.0937 121.6778 57.8524 41.3211 179.7484 21 I 3.6024 7.8111 119.7879 64.3285 37.1460 178.4870 22 Q 3.9558 8.2039 118.7693 58.8999 28.3065 178.6871 23 A 4.0334 8.4884 121.1877 54.8596 18.6477 179.1646 24 L 3.8688 7.7565 118.8075 58.4051 41.9831 179.3420 25 L 3.9118 7.5393 117.1228 57.5030 41.5519 179.3230 26 K 4.1868 7.8015 117.0298 58.0651 32.0421 177.5925 27 T 4.5204 7.6445 107.1496 60.9516 69.4646 173.6962 28 Q 4.5864 7.5612 120.3667 53.4138 31.9060 173.6680 29 P 4.2088 0.0000 0.0000 62.0713 31.8713 177.6953 30 L 4.1910 8.2579 119.9745 56.9144 41.6633 177.8384 31 Y 4.4985 7.0978 114.6608 57.9097 38.8888 175.2377 32 D 4.9862 8.3239 120.9947 55.8539 43.5779 176.6094 33 T 5.2771 7.6631 113.7737 62.0171 72.6921 173.2307 34 Q 4.8730 9.4978 124.2201 54.2044 33.6797 174.5672 35 V 4.6509 8.2800 120.6658 60.4935 33.2815 175.7800 36 S 4.2644 8.8256 117.9603 58.8860 63.0765 173.4980 37 V 4.2157 8.3824 126.0296 61.4076 32.8273 175.2997 38 S 5.0671 8.5457 123.8160 58.1473 65.3025 173.0097 39 H 5.3728 9.6890 119.3469 55.9411 30.3719 174.5534 40 T 5.2237 9.4199 115.5945 60.5794 70.8069 173.9895 41 T 5.3817 8.0694 114.3211 61.1185 69.8825 175.1752 42 R 4.1855 7.3395 119.0486 55.7739 30.2127 176.3288 43 Q 4.1392 8.2422 117.9912 54.8865 29.4458 174.7990 44 P 3.7746 0.0000 0.0000 62.4774 31.9972 176.1812 45 R 4.5269 9.1291 120.7597 53.3970 32.4395 174.0669 46 P 4.4010 0.0000 0.0000 64.3069 31.6558 176.6512 47 G 4.1522 8.8625 110.4484 45.6806 0.0000 174.0604 48 E 3.9488 7.6871 118.3983 55.9546 30.2389 176.3010 49 V 4.5309 8.6068 121.2106 60.8158 34.1394 174.4149 50 H 4.7292 9.0567 127.0144 57.8306 30.1733 175.3546 51 G 3.1544 8.2159 115.3993 45.0314 0.0000 173.1677 52 E 4.2072 7.7099 117.9018 57.9931 31.1307 176.6155 53 H 4.2439 7.9500 114.0266 58.3423 29.5802 174.8801 54 Y 4.4385 6.9081 113.6409 56.8635 42.5841 173.6313 55 F 4.4644 8.9186 120.9670 56.6671 40.4981 175.1065 56 F 5.3061 9.2732 123.3347 56.5445 39.8416 175.4565 57 V 4.9006 8.9695 116.9205 59.4959 36.2919 174.9518 58 N 5.2366 9.2956 119.9108 51.7015 39.3218 175.9219 59 H 4.3431 8.7512 114.8082 59.0009 28.4482 177.9036 60 D 4.4397 8.3279 120.4136 57.3017 40.6473 178.1541 61 E 4.0068 9.1361 118.3410 59.5618 29.6049 178.9850 62 F 4.2380 8.2171 119.0143 61.4386 39.8346 177.0738 63 K 4.2741 8.5041 118.1760 59.0456 31.7898 179.5243 64 E 4.1002 8.8071 119.0160 56.6232 29.4901 178.5256 *66 I 4.1793 7.8214 120.3287 60.8103 39.2185 178.2984 67 S 4.1074 8.0459 114.3651 60.8296 62.9403 174.9852 68 R 4.2693 7.8103 115.7790 55.0414 29.2727 175.4894 69 D 4.3153 7.8155 115.5163 55.7193 40.1581 174.2634 70 A 3.9268 7.5927 119.5125 53.1080 19.0432 177.3900 71 F 5.3078 7.3730 114.1734 55.6593 40.5674 176.2755 72 L 4.4005 9.5078 123.7011 57.6443 42.1659 177.0382 73 E 5.4064 8.3421 114.3409 56.4802 32.7278 173.8816 74 H 5.2104 8.5670 114.1636 55.3333 31.1737 172.2669 75 A 4.5785 8.8541 120.0282 51.1166 23.1279 174.5064 76 E 5.1228 8.6758 120.1985 54.5316 31.9057 175.7560 77 V 3.7068 8.8893 126.0749 61.8445 34.1206 174.9794 78 F 4.0283 8.8907 128.2121 59.2558 35.7575 175.3463 79 G 4.0191 8.1825 100.3009 46.1473 0.0000 172.1140 80 N 4.6118 7.5153 113.1574 51.4603 43.6374 173.4225 81 Y 5.0028 7.4491 119.4991 56.8718 40.4107 174.3894 82 Y 4.9652 8.8601 119.6047 56.6198 42.6187 174.6442 83 G 4.1866 9.2685 108.3576 45.8814 0.0000 171.9417 84 T 5.1793 8.8539 117.6694 61.4021 70.8480 174.4833 85 S 4.3464 8.9329 122.2918 57.8612 63.3435 174.4589 86 R 3.8429 9.0413 128.7822 59.6158 29.7829 178.3855 87 E 3.8500 8.0153 117.5245 59.4468 29.3781 178.9811 88 A 3.9757 7.7390 120.4436 55.3408 18.3874 179.8005 89 I 3.7298 7.7909 118.1469 64.6967 37.1305 178.6425 90 E 3.9986 8.4823 119.6564 59.3563 29.0016 179.4234 91 Q 3.9795 8.1400 117.7750 58.8104 28.9622 178.7747 92 V 3.7659 7.6194 119.3614 66.0973 31.5941 178.0340 93 L 4.1516 8.1337 118.5962 57.8407 41.2648 179.1635 94 A 4.1216 8.2188 119.5038 54.0284 18.3541 178.4826 95 T 4.3720 7.8869 107.3551 61.2676 69.3597 175.6898 96 G 3.9106 8.1917 110.1229 45.5690 0.0000 173.4881 97 V 4.3338 7.4005 119.7838 61.8749 33.2990 174.7717 98 D 5.1594 9.4946 127.9766 54.1135 42.3633 175.4154 99 V 4.9999 8.7092 122.3128 61.1659 34.7972 174.0020 100 F 4.8884 9.2257 126.1269 55.6375 41.3828 174.3235 101 L 4.8389 9.1823 126.8532 53.0944 43.8692 174.3596 102 D 5.0831 8.6899 126.6662 54.0025 41.6734 174.9751 103 I 4.6428 8.4766 125.2268 59.8995 41.8587 173.6858 104 D 4.8197 8.5377 126.4725 52.0325 40.7335 177.1210 105 W 4.8925 8.8009 117.7112 58.9014 27.8689 178.3724 106 Q 3.1584 7.3121 120.9604 58.8696 28.4038 178.2697 107 G 3.5401 7.8834 105.9993 47.5139 0.0000 175.4445 108 A 4.0447 8.1812 123.0877 55.2869 18.2138 179.7690 109 Q 3.9761 8.0797 115.4771 59.0321 28.7859 178.8353 110 Q 4.1144 7.9170 119.0942 58.9348 28.8408 178.6082 111 I 3.7239 8.0274 121.1567 64.7043 36.9861 178.6163 112 R 3.9086 7.7740 117.1487 59.5181 29.8912 178.8838 113 Q 4.1716 7.6931 116.8963 58.0188 28.7123 176.8138 114 K 4.4192 7.4358 117.5909 56.1583 32.5307 175.9465 *116 P 4.3972 0.0000 0.0000 62.6484 33.0634 177.4118 117 H 4.4373 8.1451 110.6416 56.0778 29.1539 175.2487 118 A 4.0485 7.3892 122.8027 52.2793 18.9310 177.2091 119 R 4.8300 8.7654 121.2572 54.9959 32.8877 175.7472 120 S 5.4371 9.6295 115.9916 56.8397 66.8813 172.8296 121 I 5.3979 9.7726 122.7783 59.7420 40.7120 174.0628 122 F 4.9093 9.5439 129.0713 56.3387 42.0405 174.0662 123 I 4.9590 7.2000 125.1875 59.5121 39.7368 174.9628 124 L 5.0017 8.9762 126.5337 52.1580 45.2697 174.5390 125 P 4.8099 0.0000 0.0000 61.6877 32.4557 174.2704 126 P 4.5674 0.0000 0.0000 63.0057 32.0603 175.7703 127 S 4.5293 7.2038 112.9570 56.7046 66.2102 176.4867 128 K 3.9606 8.1907 122.9102 59.6138 31.8919 178.9564 129 I 3.7182 7.6200 119.7304 64.3888 37.0687 177.9064 130 E 3.9242 8.5905 120.6402 58.9077 29.3671 178.5253 131 L 3.9273 8.0813 120.6185 58.1372 42.1753 178.4415 132 D 4.3047 8.4898 118.3662 57.3459 40.9489 178.1030 133 R 3.8847 7.9420 118.0620 59.7002 30.4829 178.4497 134 R 4.0820 8.3506 118.0841 59.1721 29.8118 179.0551 135 L 4.0982 8.1909 118.4675 57.5260 41.8435 179.2272 136 R 4.1112 8.2307 117.5885 56.1354 30.1558 178.3197 137 G 4.1969 8.2109 107.3743 46.3738 0.0000 176.6548 138 R 3.9017 8.6534 123.5682 57.4864 29.8444 177.2780 139 G 3.9150 8.6549 106.5124 45.6763 0.0000 173.9764 140 Q 4.4168 7.7905 115.7340 55.5241 29.4355 175.3860 141 D 4.7728 7.6914 118.1383 52.9373 42.5101 176.8130 142 S 4.4343 8.1890 116.0464 58.0628 65.2331 175.0286 143 E 3.9519 8.6787 122.0279 59.8256 29.1657 179.6066 144 E 3.9731 8.1039 118.1229 59.2374 29.5290 179.3375 145 V 3.6197 7.7074 117.9962 66.0058 31.3580 178.1658 146 I 3.7113 7.8181 118.5928 64.3430 36.9993 177.9724 147 A 4.1540 7.9868 120.9065 55.0062 18.4343 179.5788 148 K 4.1829 8.1540 117.1991 59.4077 32.0040 180.5305 149 R 4.1532 8.2433 116.4743 56.6808 30.0405 178.4521 *151 A 4.2581 8.0024 124.0084 52.3516 20.8436 179.8100 152 Q 4.0185 8.4246 116.2325 59.2442 28.8519 178.2299 153 A 4.0793 8.1427 121.1409 55.2819 18.5205 179.5149 154 V 3.6886 7.7993 114.9941 65.9863 31.6988 177.6578 155 A 4.1963 7.8221 120.1027 54.6442 18.5937 179.4861 156 E 4.3864 8.3436 116.9693 56.7718 29.6457 178.4563 *158 S 4.4212 8.0619 112.0834 57.7100 65.0872 173.6236 159 H 4.4786 7.7248 118.0625 55.5359 28.9623 176.3831 160 Y 3.0102 7.6185 120.3763 59.5746 37.6672 177.9368 161 A 3.8034 6.1107 120.8465 53.5119 18.4650 177.5201 162 E 4.1091 7.8982 114.2623 57.1594 29.9719 176.1540 163 Y 4.9359 7.6995 116.5592 55.6334 40.3339 176.0279 164 D 4.5102 8.6801 120.8531 56.5071 41.7277 176.8502 165 Y 5.0148 8.1758 114.0767 56.0168 42.7348 174.1581 166 L 5.4268 8.8105 122.7893 53.5117 45.1105 175.4364 167 I 4.5675 8.9189 126.7300 59.4809 40.3919 174.7052 168 V 4.4309 8.3877 126.5513 61.5544 32.4215 175.1887 169 N 4.1918 9.0986 129.4497 53.0165 37.1939 173.8232 170 D 4.4351 8.6034 122.7468 54.6202 42.6240 175.6701 171 D 4.6884 7.6778 114.8112 52.9715 43.1795 176.4897 172 F 4.1327 9.0018 129.1621 62.0150 39.4597 176.9813 173 D 4.4506 8.2925 117.5792 57.5365 40.6310 178.8290 174 T 3.8190 8.3284 116.2183 66.4471 68.4294 176.5525 175 A 3.8672 7.8980 122.7229 55.0737 18.3374 179.4892 176 L 3.6337 7.8803 119.2261 58.4115 42.0707 179.3325 177 T 3.7954 7.9547 115.8447 66.4589 68.3124 176.3957 178 D 4.2946 7.9270 120.9798 57.2330 40.9796 178.5910 179 L 3.8301 7.7971 120.8052 58.0977 42.0134 179.2175 180 K 3.9361 8.1629 118.5497 59.4972 31.8113 179.5315 181 T 3.8407 8.1692 116.6689 66.4796 68.2189 176.6915 182 I 3.4723 7.6284 121.6816 64.4362 37.0860 178.6123 183 I 3.6862 7.4082 120.1590 64.2165 36.6613 178.5685 184 R 3.8708 8.1120 118.7580 59.3440 30.2529 178.0529 185 A 4.1802 8.2699 120.8579 55.3610 18.3899 179.4492 186 E 4.0545 8.6113 117.3331 59.6504 29.3414 179.5970 187 R 4.2031 7.9006 116.6162 58.1174 30.2955 177.9204 188 L 4.3863 7.7304 117.2574 55.9766 42.5516 180.2044 189 R 4.4131 8.1589 122.2535 55.6735 30.2867 179.1988 *191 S 4.3712 8.6547 117.3398 59.1965 65.1574 176.3250 192 R 4.1499 7.8756 119.3923 58.7743 30.1654 178.6155 193 Q 4.0773 8.4450 118.4205 58.6070 28.4779 178.6457 194 K 4.1416 7.9969 118.2567 59.0092 33.1096 178.5885 195 Q 4.1168 7.3667 118.1285 58.8160 28.9980 177.4934 196 R 3.8297 8.0818 119.0925 59.2203 30.3446 176.7263 197 H 4.8787 8.4686 113.9413 55.6769 29.4083 176.1275 198 D 4.3868 7.9636 120.7121 57.7759 40.8802 178.3098 199 A 3.9694 7.9191 120.3389 55.0284 18.3962 179.1526 200 L 3.9186 7.8732 118.3530 58.4240 42.2700 179.1028 201 I 3.6984 8.2052 120.2048 64.4201 36.6954 178.3148 202 S 4.1124 8.1060 114.0198 61.3835 61.9398 176.4692 203 K 4.0296 7.9116 120.3862 59.3787 31.8718 179.1042 204 L 4.1392 8.0446 118.7803 57.2014 41.6289 178.6349 205 L 4.3602 7.8848 116.2678 55.2277 42.0823 177.1185 206 A 4.3396 7.5356 125.6545 52.2719 18.8028 176.8285 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 3 Q 8.33 4.32 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 4 G 7.82 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 0.00 0.00 0.00 0.00 5 T 9.31 4.64 4.19 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 0.32 0.00 0.00 6 L 8.18 4.46 0.00 1.61 1.39 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 9.07 4.92 0.00 2.05 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 8 I 9.15 4.60 2.08 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 1.15 0.85 1.09 0.00 0.00 9 V 9.11 5.02 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.18 0.00 0.00 10 S 8.86 5.16 0.00 3.66 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 11 A 7.66 3.45 0.97 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 12 P 0.00 4.52 0.00 2.24 2.32 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 13 S 8.28 4.16 0.00 3.91 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 14 G 9.04 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 15 A 7.80 4.48 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 16 G 8.15 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 17 K 7.57 3.80 0.00 1.71 1.77 0.00 1.77 0.00 0.00 1.36 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.42 7.81 18 S 8.06 4.10 0.00 3.93 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 19 S 8.07 4.17 0.00 4.29 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 20 L 8.09 3.97 0.00 1.82 1.56 0.80 0.14 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 21 I 7.81 3.60 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.97 0.88 0.00 0.00 22 Q 8.20 3.96 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 23 A 8.49 4.03 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.76 3.87 0.00 1.66 1.52 0.65 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.54 3.91 0.00 1.72 1.66 0.80 0.75 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 26 K 7.80 4.19 0.00 1.87 1.84 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.60 7.81 27 T 7.64 4.52 4.19 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 1.18 0.00 0.00 28 Q 7.56 4.59 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 7.05 0.00 0.00 0.00 0.00 0.00 2.16 2.38 0.00 29 P 0.00 4.21 0.00 0.49 1.18 0.00 3.50 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.89 0.00 30 L 8.26 4.19 0.00 1.58 1.72 0.89 0.92 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 31 Y 7.10 4.50 0.00 3.02 3.13 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 32 D 8.32 4.99 0.00 2.68 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.66 5.28 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 1.24 0.00 0.00 34 Q 9.50 4.87 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 35 V 8.28 4.65 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 0.64 0.00 0.00 1.01 0.00 0.00 36 S 8.83 4.26 0.00 4.05 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 37 V 8.38 4.22 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 0.15 0.00 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0.00 0.00 0.00 0.00 2.39 2.53 0.00 114 K 7.44 4.42 0.00 1.75 1.81 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.41 1.39 7.81 *116 P 0.00 4.40 0.00 2.08 2.14 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.07 0.00 117 H 8.15 4.44 0.00 3.23 3.39 0.00 5.53 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 0.00 118 A 7.39 4.05 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 0.00 119 R 8.77 4.83 0.00 1.34 2.05 0.00 3.42 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.00 120 S 9.63 5.44 0.00 3.97 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 0.00 121 I 9.77 5.40 2.06 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 1.32 0.99 1.00 0.00 0.00 122 F 9.54 4.91 0.00 2.66 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 0.00 123 I 7.20 4.96 1.68 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.66 0.87 0.00 0.00 124 L 8.98 5.00 0.00 1.57 1.55 0.82 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.81 0.00 2.18 2.24 0.00 3.79 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 1.98 1.96 0.00 126 P 0.00 4.57 0.00 2.20 2.20 0.00 3.81 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.04 0.00 127 S 7.20 4.53 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 K 8.19 3.96 0.00 1.88 1.84 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.59 7.81 129 I 7.62 3.72 1.87 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 1.52 0.43 0.91 0.00 0.00 130 E 8.59 3.92 0.00 2.05 1.94 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 2.31 2.37 0.00 131 L 8.08 3.93 0.00 1.81 1.83 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 132 D 8.49 4.30 0.00 2.80 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 0.00 133 R 7.94 3.88 0.00 1.95 2.08 0.00 3.31 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 134 R 8.35 4.08 0.00 2.01 1.97 0.00 3.34 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 135 L 8.19 4.10 0.00 1.73 1.74 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.23 4.11 0.00 2.03 1.97 0.00 3.27 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 137 G 8.21 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 0.00 0.00 0.00 0.00 138 R 8.65 3.90 0.00 1.80 2.00 0.00 3.36 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 139 G 8.65 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 0.00 140 Q 7.79 4.42 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 141 D 7.69 4.77 0.00 2.66 2.59 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 0.00 142 S 8.19 4.43 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 0.00 143 E 8.68 3.95 0.00 2.00 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 0.00 2.40 2.36 0.00 144 E 8.10 3.97 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 145 V 7.71 3.62 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 1.12 0.00 0.00 0.94 0.00 0.00 146 I 7.82 3.71 2.02 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 1.65 0.92 0.92 0.00 0.00 147 A 7.99 4.15 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 8.15 4.18 0.00 1.95 1.90 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.65 1.65 7.81 149 R 8.24 4.15 0.00 2.01 1.97 0.00 3.17 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 *151 A 8.00 4.26 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 0.00 152 Q 8.42 4.02 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 153 A 8.14 4.08 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 V 7.80 3.69 2.23 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 0.89 0.00 0.00 0.95 0.00 0.00 155 A 7.82 4.20 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.34 4.39 0.00 2.45 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.79 0.00 *158 S 8.06 4.42 0.00 3.85 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 0.00 159 H 7.72 4.48 0.00 3.31 3.47 0.00 5.63 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 Y 7.62 3.01 0.00 2.76 2.59 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 0.00 161 A 6.11 3.80 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 E 7.90 4.11 0.00 2.08 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 2.28 2.18 0.00 163 Y 7.70 4.94 0.00 3.36 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 0.00 164 D 8.68 4.51 0.00 2.75 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 0.00 0.00 0.00 0.00 165 Y 8.18 5.01 0.00 3.04 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 0.00 166 L 8.81 5.43 0.00 1.76 1.63 1.16 1.00 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 0.00 167 I 8.92 4.57 1.87 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 1.11 0.67 0.86 0.00 0.00 168 V 8.39 4.43 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.94 0.00 0.00 169 N 9.10 4.19 0.00 2.67 2.83 0.00 0.00 7.14 8.14 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 0.00 170 D 8.60 4.44 0.00 2.67 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 0.00 171 D 7.68 4.69 0.00 2.84 2.53 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 0.00 172 F 9.00 4.13 0.00 3.17 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 0.00 173 D 8.29 4.45 0.00 2.78 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 0.00 174 T 8.33 3.82 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 1.19 0.00 0.00 175 A 7.90 3.87 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 0.00 176 L 7.88 3.63 0.00 1.12 1.59 0.74 0.76 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 0.00 177 T 7.95 3.80 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 1.17 0.00 0.00 178 D 7.93 4.29 0.00 2.85 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 L 7.80 3.83 0.00 1.61 1.66 0.85 0.12 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 0.00 180 K 8.16 3.94 0.00 1.87 1.77 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.45 7.81 181 T 8.17 3.84 4.43 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 1.20 0.00 0.00 182 I 7.63 3.47 1.72 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.59 0.14 0.00 0.00 183 I 7.41 3.69 1.92 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 1.00 0.34 0.96 0.00 0.00 184 R 8.11 3.87 0.00 1.87 2.07 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 185 A 8.27 4.18 1.40 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 0.00 0.00 186 E 8.61 4.05 0.00 2.33 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 0.00 2.60 2.85 0.00 187 R 7.90 4.20 0.00 2.02 2.04 0.00 3.22 0.00 0.00 3.29 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 188 L 7.73 4.39 0.00 1.79 1.74 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 189 R 8.16 4.41 0.00 2.05 1.62 0.00 3.21 0.00 0.00 3.26 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.93 0.00 *191 S 8.65 4.37 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 0.00 192 R 7.88 4.15 0.00 1.91 2.03 0.00 3.16 0.00 0.00 3.54 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 193 Q 8.44 4.08 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.82 0.00 0.00 0.00 0.00 0.00 2.69 2.67 0.00 194 K 8.00 4.14 0.00 1.92 1.96 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.50 7.81 195 Q 7.37 4.12 0.00 2.24 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 196 R 8.08 3.83 0.00 1.79 1.97 0.00 3.26 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.50 0.00 197 H 8.47 4.88 0.00 3.34 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 D 7.96 4.39 0.00 2.89 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 A 7.92 3.97 1.32 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 0.00 200 L 7.87 3.92 0.00 1.80 1.87 0.93 0.99 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 0.00 201 I 8.21 3.70 1.95 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 1.42 0.67 0.92 0.00 0.00 202 S 8.11 4.11 0.00 3.91 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 K 7.91 4.03 0.00 1.95 1.86 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.62 7.81 204 L 8.04 4.14 0.00 1.74 1.73 0.92 1.20 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 0.00 205 L 7.88 4.36 0.00 1.62 1.71 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 206 A 7.54 4.34 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 * Residues marked with a * may have inaccurate shift predictions.