NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4495 8.3049 120.3544 54.5889 33.3021 174.7413 2 W 3.6255 9.2674 126.1232 56.7260 29.2041 173.9362 3 A 4.4099 8.8825 127.5028 50.2337 21.4533 174.6736 4 F 5.0684 8.6891 122.5187 55.6864 39.4922 174.4738 5 P 4.4510 0.0000 0.0000 63.1801 31.7889 176.1828 6 E 4.8478 8.7840 118.7317 58.1669 31.0908 176.6926 7 R 5.7821 7.8207 116.4365 53.3396 33.4325 175.1020 8 F 4.6798 8.9477 120.9120 55.6322 42.5557 173.7707 9 E 4.7934 8.8932 122.6094 54.7745 30.6377 175.6657 10 G 4.3597 8.4474 111.9136 42.5068 0.0000 172.6012 11 R 4.1582 8.6074 117.4495 57.5704 30.4966 176.5082 12 H 4.7061 8.3452 113.0899 56.7900 31.4580 173.9857 13 V 4.7995 8.3015 109.5134 59.7323 36.6171 174.3107 14 R 4.8562 8.9423 120.8270 54.5515 34.4045 175.0338 15 L 5.7332 8.7107 118.6583 53.1453 45.4554 175.7841 16 E 5.5342 8.7681 121.3714 52.4453 33.5064 173.3156 17 P 4.5547 0.0000 0.0000 62.9676 31.9884 175.7680 18 L 3.9363 8.7457 127.0533 55.7539 42.5842 175.6178 19 A 4.8671 8.3341 129.2078 50.0118 22.2729 175.9089 20 L 4.2191 8.3165 115.9486 56.3558 41.7591 178.9319 21 A 4.2597 8.0169 120.9843 54.0742 18.7421 178.1275 22 H 4.9092 8.0955 112.6337 55.2549 29.1596 176.1946 23 L 3.9658 7.7475 123.9952 58.1151 41.9633 177.1529 24 P 4.2934 0.0000 0.0000 65.2707 31.1231 178.5539 25 A 3.9822 8.1561 119.9491 55.2293 18.2681 179.3900 26 F 4.3850 8.4378 113.4958 59.2601 38.9890 176.6791 27 L 4.3321 7.7496 119.7409 56.8781 42.5865 177.5791 28 R 4.1973 7.6168 113.3281 56.9846 30.6765 175.9403 29 H 4.7439 7.7441 116.4712 54.9660 29.2976 173.0060 30 Y 4.6831 7.7941 119.6544 56.3653 40.3532 174.0168 31 D 4.2233 7.8580 125.6244 52.3056 44.0806 173.5976 32 P 4.0897 0.0000 0.0000 65.6959 31.4035 177.3027 33 E 3.9613 8.4867 117.7715 58.3402 29.5886 177.0005 34 V 4.1537 7.8136 118.1203 63.7206 31.0310 176.7436 *36 R 4.1161 7.6538 117.4747 55.8234 31.4282 175.7922 37 F 4.9013 7.6226 114.2266 57.5421 39.1063 175.5235 38 L 4.7744 7.5537 120.4228 53.3255 43.1683 177.0949 39 S 4.2535 8.7616 117.8481 60.7912 63.1040 174.8146 40 R 4.5632 7.9687 118.9733 54.2899 30.9587 175.3923 41 A 4.6717 8.3377 125.2284 49.6605 22.2723 174.8744 42 P 4.6198 0.0000 0.0000 62.6351 31.7305 175.6158 43 V 4.2970 7.9001 108.9340 62.4442 34.1463 175.3469 44 A 4.4256 7.1617 119.8281 50.7280 21.4145 174.5272 45 P 4.0296 0.0000 0.0000 62.9711 31.3483 176.6046 46 T 4.4452 7.7890 115.5908 63.0352 70.5495 175.6941 47 E 3.8652 8.8290 125.2199 59.8593 29.6034 179.3727 48 E 3.9610 8.1230 117.6316 59.1649 29.3375 179.0178 49 A 3.9613 7.7374 119.5208 55.2920 18.9701 179.2791 50 L 4.0664 8.4249 117.8283 57.5134 41.6600 179.5719 51 R 3.7921 8.2917 119.0860 59.5435 30.1199 178.4300 52 A 4.7154 8.0547 121.6508 54.6818 18.0971 179.1259 53 H 4.0533 7.9506 116.5041 59.6600 30.0782 177.6626 54 L 3.8472 7.7155 119.8624 57.1810 41.3830 179.3098 55 E 3.9931 7.9911 119.1783 59.4552 29.4622 179.5601 56 G 3.6053 7.9416 105.5074 47.4905 0.0000 175.7747 57 L 3.8753 7.2785 120.5840 57.8665 41.8223 179.4074 58 L 4.1786 7.7705 117.0451 57.0799 41.6623 179.2656 59 G 3.7430 8.1972 105.2833 45.5810 0.0000 173.7937 60 E 3.9927 7.7157 123.7577 55.1286 30.0624 174.1361 61 P 4.3800 0.0000 0.0000 63.9809 31.8925 175.9508 62 G 3.9937 8.9982 111.4801 44.9968 0.0000 173.0705 63 R 4.5530 7.1017 118.9220 54.9615 31.0917 176.0578 64 V 3.9038 7.8694 126.6626 61.0661 33.1476 174.7358 65 N 4.5806 8.1069 125.3291 52.8474 39.9042 173.8322 66 W 5.5281 8.3305 117.3807 55.9055 34.8544 173.5699 67 A 4.8268 9.0724 121.8290 50.5498 21.0932 176.2130 68 I 4.5815 8.3953 124.6660 60.9481 36.4930 173.4696 69 L 4.5296 8.7810 125.4815 54.2138 42.5556 175.9084 70 F 3.7434 9.3719 129.1276 57.3814 38.1501 174.8192 71 G 4.2235 9.0704 115.6698 44.6177 0.0000 171.9742 72 K 4.5996 7.7810 119.1444 54.2909 35.2046 175.6079 73 E 4.8038 7.9450 115.7178 54.0267 32.3202 174.9039 74 V 4.4590 8.1462 117.6121 60.5471 32.9840 175.6468 75 A 3.8128 9.7441 122.9170 50.2244 21.6974 177.2701 76 G 3.7151 7.0394 104.0004 45.5665 0.0000 171.6181 77 R 4.9814 8.4207 119.3835 55.7861 33.3122 174.1755 78 I 5.1720 8.1207 119.5492 60.2424 42.0487 173.5378 79 S 4.8010 8.8517 121.3302 57.7618 67.2167 172.6264 80 V 4.7666 7.6889 118.4973 61.5548 33.4593 174.4055 81 I 4.6267 8.5247 127.0536 59.7203 40.2978 175.4944 82 A 3.7915 8.5172 128.5106 52.4476 15.7180 176.3000 83 P 4.2330 0.0000 0.0000 63.2199 32.2556 177.4462 84 E 4.3600 7.9776 124.5690 53.1851 29.2294 175.0887 85 P 3.2434 0.0000 0.0000 64.5731 31.9975 178.3961 86 E 3.7650 7.9797 118.2118 59.0162 29.3673 177.0447 87 H 4.6728 7.8154 111.5291 54.5205 29.9542 174.3511 88 A 4.1492 7.8662 122.5569 52.5889 16.0735 175.7139 89 K 5.3424 7.0251 120.7129 55.6338 37.3241 176.2583 90 L 4.6686 8.4121 119.3065 55.4065 44.1776 172.8625 91 E 5.0715 8.4804 119.9121 54.3839 33.3127 174.4528 92 L 5.2882 8.3064 122.4631 53.0573 45.6518 176.2316 93 G 4.1290 9.3078 111.8724 45.0056 0.0000 172.0633 94 T 5.1637 8.3799 122.6124 62.1427 71.4783 174.3051 95 M 4.6530 8.7475 123.0693 54.8235 36.0052 173.5267 96 L 5.0524 8.5066 124.9460 52.6461 46.1346 176.2258 97 F 4.6871 8.8535 119.8063 56.8985 40.0163 176.7799 98 K 2.0000 8.6432 125.9041 58.6120 31.6245 176.6931 99 P 4.0499 0.0000 0.0000 63.9595 31.1575 176.4571 100 F 4.9800 8.2714 116.4778 56.4983 40.3843 175.0612 101 W 4.5442 8.4119 122.6785 58.3031 29.1459 176.6683 102 G 4.0652 9.2011 111.2668 45.2417 0.0000 173.5914 103 S 4.7050 7.8480 116.0804 57.0487 64.1300 173.5333 104 P 4.3419 0.0000 0.0000 64.1539 30.8917 178.3819 105 A 3.9157 7.9267 120.5536 55.3541 18.1900 179.0184 106 N 4.1756 8.1255 114.5167 56.8328 39.0207 176.7663 107 K 3.8488 7.9796 119.2070 59.7329 32.3469 178.8327 108 E 4.0696 8.7949 119.3477 58.8975 28.0043 178.4550 109 A 3.9388 8.1804 121.4718 55.1273 18.2922 179.7491 110 K 4.1588 7.8684 116.9959 59.5318 32.1066 178.8405 111 Y 4.1072 7.9519 119.9165 60.9593 38.3981 178.3949 112 L 3.9196 7.9822 119.4562 56.9884 41.6621 179.0115 113 L 4.0421 7.0316 116.7170 57.0077 41.9658 178.9821 114 L 3.5613 8.6378 119.8175 57.4099 41.2402 179.5317 115 R 4.2715 7.5864 118.8064 59.2942 30.1930 177.4448 116 H 4.3507 7.7825 116.2111 58.2362 29.7948 175.8552 117 A 3.8773 7.6150 122.6679 54.4833 18.7591 179.1586 118 F 4.3698 7.1779 113.9404 60.2988 39.0487 178.0577 119 E 4.0128 7.7574 116.8703 59.4832 29.5098 178.3732 120 V 3.6474 7.1675 118.5129 65.6111 32.0543 177.1107 121 L 3.7748 7.8064 119.5566 54.6631 41.5334 177.3125 122 R 4.5324 7.5265 114.5750 55.4122 28.2142 176.3440 123 A 4.2485 8.1709 120.0069 52.7929 18.8840 177.6767 124 E 4.9082 8.9397 118.1150 56.0427 32.1768 176.0340 125 R 4.7450 7.9898 118.9161 54.8354 34.2955 174.1874 126 V 5.3077 8.4925 125.7311 60.5732 33.5267 174.1855 127 Q 5.1415 8.0347 125.2106 54.7608 31.1848 175.2394 128 F 5.0745 8.2760 117.4955 56.1223 42.5495 173.6198 129 K 4.7745 8.8223 123.9261 55.4195 32.9372 176.9190 130 V 4.6709 8.1949 116.5049 59.0093 36.2753 174.6617 131 D 4.7263 8.6281 122.6322 54.3020 41.6224 176.6668 132 L 3.9048 8.7411 128.4883 58.4701 42.0151 178.6986 133 R 3.7984 9.1543 117.9402 58.3980 28.8143 176.6175 134 N 3.3395 7.3940 116.5389 52.9625 38.9830 174.7819 135 E 4.3231 8.2267 128.3977 58.0129 30.2633 178.5974 136 R 3.8016 7.7685 118.7704 59.4971 30.2341 178.5766 137 S 4.1032 9.1229 115.5886 61.4023 62.7873 176.5485 138 Q 3.9641 7.4553 119.4986 59.1627 27.6936 178.8734 139 R 4.0785 7.9552 116.9890 57.6532 29.5650 178.1902 140 A 4.3826 7.3221 119.9296 53.8257 19.2066 179.1525 141 L 3.5996 7.5761 117.2095 56.9985 41.5793 179.2212 142 E 3.8205 7.8176 117.9497 59.3253 29.5222 178.9261 143 A 4.1089 7.1952 119.3191 54.1240 18.4609 179.2558 144 L 4.0868 7.0344 118.7267 57.5626 42.4619 177.9136 145 G 4.4485 7.6767 117.2963 45.8060 0.0000 172.8167 146 A 4.3887 7.5338 124.4309 52.3695 19.0750 176.7028 147 V 4.3365 8.9197 122.9275 61.4833 33.6428 175.1439 148 R 4.2554 8.8253 128.1962 56.5280 29.5440 175.3402 149 E 4.2478 9.2809 127.4428 56.2947 30.9874 177.3742 150 G 3.8332 6.6145 105.1855 45.0373 0.0000 170.0631 151 V 4.6767 7.5645 118.7793 60.9982 34.4771 175.8855 152 L 4.3449 9.2559 128.9240 53.6063 42.2543 176.3887 153 R 4.3540 8.5462 124.0767 56.3774 30.4820 177.5235 154 K 3.9351 8.8923 126.0403 57.5261 30.3951 175.8348 155 N 4.4764 8.0695 118.2173 55.9945 39.7057 175.1477 156 R 4.7236 7.7208 115.5892 54.2036 33.9071 173.8206 157 R 4.9312 8.5460 121.7361 54.8553 31.6011 176.1806 158 L 4.3759 8.9530 125.4454 53.4970 42.5403 176.1156 159 P 4.3486 0.0000 0.0000 65.9318 31.2142 177.5200 160 D 4.4332 7.9198 114.6839 54.0206 39.7189 176.5768 161 G 3.7898 8.4030 108.9189 45.1439 0.0000 174.1719 162 A 3.9154 7.4105 120.2745 52.0428 19.4756 176.7537 163 F 5.0988 8.4238 119.3289 56.5274 40.6601 175.2761 164 R 4.7274 9.0070 122.2457 54.7760 33.3890 174.6013 165 D 5.6225 8.4439 124.1755 51.9606 42.6379 174.9118 166 D 4.7972 8.4961 124.6574 54.0787 42.1422 176.1470 167 V 4.2086 9.1861 125.6581 61.3093 32.0358 174.5320 168 V 3.8240 8.2863 128.6811 63.1648 32.4621 174.4451 169 Y 5.6409 8.3504 124.9080 55.5454 42.2728 174.4031 170 S 5.3275 8.2554 112.4381 58.8776 65.0642 175.2941 171 V 4.8866 7.8395 119.7439 61.3160 34.3434 174.9457 172 L 4.6329 9.4194 128.8267 54.0366 42.0295 178.3426 173 K 3.0957 8.2455 121.0646 59.1595 32.1893 178.4986 174 E 4.2394 8.0267 116.0963 57.6365 29.9641 177.2463 175 E 4.5001 7.9948 118.0486 55.7909 30.1477 177.4162 176 W 4.6655 7.3466 128.7170 60.2981 30.6789 175.6579 177 P 3.9998 0.0000 0.0000 65.5144 30.7503 178.7067 178 G 3.5548 7.9680 103.6605 47.7873 0.0000 175.6251 179 V 3.5881 7.8679 121.2587 65.6045 31.8261 177.7881 180 K 3.5100 8.3823 119.4128 59.3510 31.6781 178.4280 181 A 3.8381 7.9547 120.9377 55.3823 18.4337 179.9888 182 R 3.9026 7.8994 116.1270 59.0666 30.0767 179.4126 183 L 3.8847 8.0545 119.4877 57.3195 41.0811 178.5606 184 E 4.1600 7.9680 116.4574 57.3504 29.5441 178.0421 185 A 4.2190 7.5525 120.3087 53.7415 19.0766 178.9506 186 R 4.1952 7.6498 115.4128 58.5833 31.0065 178.6992 187 L 3.9195 7.3935 117.3573 56.6698 41.5696 176.7963 188 Y 4.5259 7.1165 119.3742 58.0840 38.3827 175.2463 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 4.45 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 2 W 9.27 3.63 0.00 3.17 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 3 A 8.88 4.41 1.22 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 0.00 0.00 4 F 8.69 5.07 0.00 3.40 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.45 0.00 1.05 1.62 0.00 3.70 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.93 0.00 6 E 8.78 4.85 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 7 R 7.82 5.78 0.00 1.64 1.81 0.00 3.24 0.00 0.00 3.92 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 8 F 8.95 4.68 0.00 2.73 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.89 4.79 0.00 1.82 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 2.20 2.22 0.00 10 G 8.45 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 11 R 8.61 4.16 0.00 1.66 1.87 0.00 3.06 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 12 H 8.35 4.71 0.00 3.20 2.91 0.00 5.56 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.30 4.80 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 0.52 0.00 0.00 0.94 0.00 0.00 14 R 8.94 4.86 0.00 1.72 1.86 0.00 3.11 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 15 L 8.71 5.73 0.00 1.32 1.23 0.19 0.58 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 16 E 8.77 5.53 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 17 P 0.00 4.55 0.00 2.04 2.14 0.00 3.83 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 2.16 2.40 0.00 18 L 8.75 3.94 0.00 1.76 1.54 1.00 1.00 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 19 A 8.33 4.87 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 20 L 8.32 4.22 0.00 1.74 1.72 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.02 4.26 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 22 H 8.10 4.91 0.00 3.45 3.78 0.00 5.84 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 23 L 7.75 3.97 0.00 1.88 1.79 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.29 0.00 2.25 2.13 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 25 A 8.16 3.98 1.51 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 26 F 8.44 4.39 0.00 3.05 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.75 4.33 0.00 1.65 1.86 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.62 4.20 0.00 1.78 1.92 0.00 2.92 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.19 0.00 29 H 7.74 4.74 0.00 1.88 2.32 0.00 5.64 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 7.79 4.68 0.00 3.05 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 7.86 4.22 0.00 2.50 2.30 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 32 P 0.00 4.09 0.00 1.95 2.01 0.00 3.52 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.86 0.00 33 E 8.49 3.96 0.00 1.84 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 0.00 2.59 2.35 0.00 34 V 7.81 4.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.01 0.00 0.00 *36 R 7.65 4.12 0.00 1.71 1.43 0.00 2.21 0.00 0.00 2.33 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.19 0.00 37 F 7.62 4.90 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.55 4.77 0.00 1.71 1.67 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.76 4.25 0.00 3.91 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 40 R 7.97 4.56 0.00 1.91 1.94 0.00 3.35 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 41 A 8.34 4.67 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 42 P 0.00 4.62 0.00 2.10 2.04 0.00 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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 0.00 0.00 0.00 0.00 0.00 68 I 8.40 4.58 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.68 0.88 0.00 0.00 69 L 8.78 4.53 0.00 1.67 1.73 1.06 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 70 F 9.37 3.74 0.00 2.87 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 71 G 9.07 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 0.00 0.00 0.00 0.00 72 K 7.78 4.60 0.00 1.76 1.84 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.46 7.81 73 E 7.95 4.80 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.21 0.00 74 V 8.15 4.46 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 0.93 0.00 0.00 1.13 0.00 0.00 75 A 9.74 3.81 0.85 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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0.00 84 E 7.98 4.36 0.00 1.85 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.45 0.00 85 P 0.00 3.24 0.00 1.67 0.88 0.00 3.17 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.44 0.00 86 E 7.98 3.77 0.00 1.73 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.21 0.00 87 H 7.82 4.67 0.00 3.19 3.26 0.00 5.86 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 88 A 7.87 4.15 1.52 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 0.00 0.00 89 K 7.03 5.34 0.00 1.89 1.94 0.00 1.54 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.40 1.42 7.81 90 L 8.41 4.67 0.00 1.88 2.05 0.85 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.48 5.07 0.00 1.95 1.87 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 2.22 2.40 0.00 92 L 8.31 5.29 0.00 2.21 1.71 1.09 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 W 8.41 4.54 0.00 3.32 3.09 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 0.00 102 G 9.20 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 S 7.85 4.71 0.00 4.25 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.34 0.00 1.91 1.90 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 105 A 7.93 3.92 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.13 4.18 0.00 2.82 2.78 0.00 0.00 7.08 6.20 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 0.00 107 K 7.98 3.85 0.00 1.75 1.77 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.45 7.81 108 E 8.79 4.07 0.00 2.01 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 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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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 7.18 4.37 0.00 2.68 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 7.76 4.01 0.00 2.29 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 2.61 2.79 0.00 120 V 7.17 3.65 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 0.85 0.00 0.00 0.94 0.00 0.00 121 L 7.81 3.77 0.00 0.99 0.16 0.09 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 122 R 7.53 4.53 0.00 1.92 1.99 0.00 3.32 0.00 0.00 3.35 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 123 A 8.17 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.94 4.91 0.00 2.05 2.21 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 2.28 2.34 0.00 125 R 7.99 4.74 0.00 1.93 1.74 0.00 3.20 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 126 V 8.49 5.31 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 0.35 0.00 0.00 0.40 0.00 0.00 127 Q 8.03 5.14 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.63 0.00 0.00 0.00 0.00 0.00 2.28 2.14 0.00 128 F 8.28 5.07 0.00 3.12 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.82 4.77 0.00 1.70 1.80 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.20 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.50 7.81 130 V 8.19 4.67 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 0.89 0.00 0.00 1.11 0.00 0.00 131 D 8.63 4.73 0.00 3.02 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 0.00 132 L 8.74 3.90 0.00 1.81 1.68 0.88 1.17 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 0.00 133 R 9.15 3.80 0.00 1.81 2.01 0.00 3.41 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 134 N 7.39 3.34 0.00 2.03 2.60 0.00 0.00 7.03 7.18 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 0.00 135 E 8.23 4.32 0.00 1.99 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 0.00 2.29 2.43 0.00 136 R 7.77 3.80 0.00 1.81 1.79 0.00 2.68 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.00 137 S 9.12 4.10 0.00 3.86 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 0.00 138 Q 7.46 3.96 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.87 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 139 R 7.96 4.08 0.00 1.82 1.92 0.00 3.09 0.00 0.00 3.16 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 140 A 7.32 4.38 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.58 3.60 0.00 1.16 1.23 0.76 0.18 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 0.00 142 E 7.82 3.82 0.00 1.87 1.97 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 2.46 2.46 0.00 143 A 7.20 4.11 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 0.00 144 L 7.03 4.09 0.00 1.54 1.76 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 145 G 7.68 4.45 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 0.00 146 A 7.53 4.39 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 0.00 147 V 8.92 4.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.07 0.00 0.00 148 R 8.83 4.26 0.00 2.14 1.94 0.00 3.36 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 149 E 9.28 4.25 0.00 1.99 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 2.32 2.46 0.00 150 G 6.61 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 V 7.56 4.68 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.85 0.00 0.00 152 L 9.26 4.34 0.00 1.58 1.59 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 153 R 8.55 4.35 0.00 1.65 1.85 0.00 3.33 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 154 K 8.89 3.94 0.00 1.62 1.39 0.00 1.45 0.00 0.00 1.00 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.29 7.81 155 N 8.07 4.48 0.00 2.72 3.08 0.00 0.00 6.79 7.50 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 0.00 156 R 7.72 4.72 0.00 1.91 1.80 0.00 3.19 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 157 R 8.55 4.93 0.00 2.12 1.93 0.00 3.07 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 158 L 8.95 4.38 0.00 1.87 1.60 1.00 1.20 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 0.00 159 P 0.00 4.35 0.00 2.04 2.14 0.00 3.68 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 2.05 2.11 0.00 160 D 7.92 4.43 0.00 2.75 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 0.00 161 G 8.40 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 A 7.41 3.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 F 8.42 5.10 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 0.00 164 R 9.01 4.73 0.00 1.95 1.97 0.00 3.15 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.88 0.00 165 D 8.44 5.62 0.00 2.63 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 0.00 166 D 8.50 4.80 0.00 2.60 2.61 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 0.00 0.00 0.00 0.00 167 V 9.19 4.21 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 0.43 0.00 0.00 0.94 0.00 0.00 168 V 8.29 3.82 1.99 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 0.89 0.00 0.00 0.89 0.00 0.00 169 Y 8.35 5.64 0.00 3.32 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 0.00 170 S 8.26 5.33 0.00 3.85 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 0.00 171 V 7.84 4.89 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.22 0.00 0.00 172 L 9.42 4.63 0.00 1.71 1.57 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 173 K 8.25 3.10 0.00 2.14 1.92 0.00 1.93 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.50 7.81 174 E 8.03 4.24 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 175 E 7.99 4.50 0.00 2.13 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 2.26 2.28 0.00 176 W 7.35 4.67 0.00 2.56 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 0.00 177 P 0.00 4.00 0.00 2.13 2.00 0.00 3.74 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 178 G 7.97 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 V 7.87 3.59 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 1.41 0.00 0.00 1.17 0.00 0.00 180 K 8.38 3.51 0.00 0.79 1.00 0.00 0.87 0.00 0.00 1.11 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.16 1.39 7.81 181 A 7.95 3.84 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 R 7.90 3.90 0.00 1.86 1.95 0.00 3.11 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 183 L 8.05 3.88 0.00 1.67 1.45 1.28 1.14 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 0.00 184 E 7.97 4.16 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 185 A 7.55 4.22 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 0.00 186 R 7.65 4.20 0.00 1.72 1.90 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 187 L 7.39 3.92 0.00 0.76 0.92 0.60 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 188 Y 7.12 4.53 0.00 3.19 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 * Residues marked with a * may have inaccurate shift predictions.