NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2823 8.2531 123.5817 51.7878 21.0326 177.9082 2 G 3.9860 7.7412 105.0118 42.0121 0.0000 167.8331 3 V 3.7903 8.5995 119.6219 62.9793 33.0952 174.7156 4 A 4.0809 7.9190 122.9779 52.2577 18.9760 176.4878 5 E 4.6583 8.4279 120.5498 54.4142 32.7420 175.0219 6 F 5.4248 8.6923 122.0289 55.5353 42.4786 175.0877 7 N 4.7995 8.9552 120.1961 51.8436 38.6186 175.6792 8 D 4.3543 8.7216 117.7545 57.3244 40.7782 177.9200 9 K 4.2255 8.2058 115.2638 56.9037 32.8800 177.4530 10 G 3.9948 8.5242 108.0163 45.6149 0.0000 173.6540 11 E 4.6239 8.4677 119.6814 55.8170 31.1335 175.7557 12 L 4.3481 8.9733 126.1946 54.5141 43.1260 176.1642 13 L 4.6255 8.5475 127.2996 54.1643 42.5841 176.7739 14 L 2.7559 8.2846 122.0574 54.3868 41.8796 175.9881 15 P 4.2670 0.0000 0.0000 62.5792 30.6260 175.7076 16 K 4.3543 8.4393 120.2015 56.0235 33.9557 176.4199 17 N 3.9880 8.3957 119.3688 54.0903 36.3098 175.9300 18 Y 2.0000 5.9626 116.6657 58.6207 38.0133 177.9138 19 R 2.9294 6.2584 118.2096 57.8283 30.2292 176.7924 20 E 4.2805 7.5003 116.2338 56.2953 29.7328 176.6241 21 W 4.6654 7.6427 119.9759 55.8954 30.7318 175.0782 22 V 3.9870 8.3002 119.5999 62.5767 31.7752 175.2439 23 M 4.3604 8.7620 129.0230 55.7520 31.7682 175.9638 24 V 4.1697 8.6655 119.4214 61.6307 34.1086 175.7903 25 G 4.1378 7.0242 104.9162 45.7938 0.0000 172.3265 26 T 5.2819 8.6506 115.4312 60.1617 70.5037 172.9065 27 Q 4.7924 9.2191 126.4363 54.0387 33.1070 174.4126 28 V 4.8795 8.1783 120.3026 61.3176 34.1972 174.4896 29 T 4.4516 8.7926 118.5992 59.4542 70.7933 172.4656 30 P 4.3826 0.0000 0.0000 62.5471 29.5479 175.4071 *41 T 4.3963 8.1599 123.7946 63.6984 71.0493 173.6307 42 E 4.8319 7.9217 119.5326 54.5727 33.6878 174.0847 43 I 4.9706 8.7133 126.3999 59.6163 40.3138 174.7204 44 R 5.1078 9.1492 124.6880 54.5934 33.6416 174.3234 45 T 4.6929 8.8648 118.0933 60.1026 70.3397 172.6453 46 V 4.7583 8.1597 128.1861 61.2234 34.3414 173.7336 47 Y 5.3850 9.1440 125.0831 56.2176 41.8841 174.6292 48 V 5.1686 8.8086 122.5578 60.7136 34.7077 174.6344 49 D 3.3700 8.3141 127.0596 52.6026 39.7889 175.6675 50 P 4.2668 0.0000 0.0000 65.9334 31.3736 178.6092 51 E 3.9480 8.0283 117.4482 59.4716 29.6832 178.9123 52 S 4.2497 8.4162 115.2614 61.6289 62.7961 176.0395 53 Y 4.1923 8.4564 122.3404 60.5692 38.4346 177.7755 54 A 3.9408 8.4934 122.1148 55.5241 18.5830 179.0802 55 H 4.0238 8.4447 116.6830 59.0412 29.9317 177.0504 56 W 4.0733 8.5049 130.4915 60.5668 30.2280 177.8564 57 K 3.7555 7.7798 117.0222 59.5827 31.5459 179.0481 58 K 4.1027 7.5284 117.6299 58.2912 32.1577 177.9250 59 T 4.1964 7.0304 105.9645 59.6554 70.1670 174.6093 60 G 2.5205 7.8030 109.5069 45.5834 0.0000 173.0315 61 E 4.5370 7.1734 116.6065 53.8876 32.9489 175.8124 62 F 4.9542 8.8141 120.7803 56.2779 39.4594 176.3304 63 R 4.0612 8.6987 122.7085 55.5474 29.8935 175.5784 64 D 4.3546 8.4353 118.9799 56.2074 41.4661 176.7380 65 G 4.0104 9.2488 115.2256 44.9146 0.0000 173.2199 66 T 4.4348 7.6024 117.0169 63.6071 69.9034 173.1234 67 V 5.1329 8.9933 125.6384 61.3051 34.4322 174.3086 68 T 5.3873 9.1820 117.6513 60.0361 72.1063 173.1231 69 V 4.8079 8.9169 122.4278 61.0762 35.2445 173.8853 70 K 4.9854 9.2183 129.3575 54.7544 34.5259 173.9415 71 E 5.0681 9.3187 129.6194 54.6336 31.8360 174.2644 72 L 5.1131 8.8110 127.2591 53.3473 43.9833 176.0019 73 V 5.0221 8.7583 116.5305 59.3328 36.2008 175.6282 74 S 4.6914 8.7229 118.5832 58.1546 65.0206 172.5917 75 V 4.5312 8.0502 119.7846 61.0498 32.9983 175.2583 76 G 3.0435 8.3922 115.3542 45.1889 0.0000 171.8984 77 D 5.2726 8.3603 120.9659 52.2249 43.0804 175.5960 78 R 4.6761 8.9905 124.3820 54.4434 32.4926 175.0047 79 K 4.6692 8.4765 125.2322 55.3890 34.2973 177.2556 80 G 3.8990 8.5705 115.2648 44.1441 0.0000 170.5444 81 P 4.5006 0.0000 0.0000 63.2122 31.7745 175.6940 *85 N 4.5308 8.0853 114.8356 54.4263 39.7909 173.9600 86 G 3.8887 7.7097 107.0473 46.4689 0.0000 171.3533 87 Y 5.3734 8.6012 116.6313 56.2057 41.2806 175.2390 88 F 5.0654 8.5100 115.8269 55.4305 42.4019 173.2956 89 M 4.3277 8.9201 119.3731 55.6306 32.1853 175.3660 90 G 3.8960 9.0715 114.0634 46.7735 0.0000 176.2932 91 D 4.8875 7.1182 123.9445 52.6989 43.1100 174.9188 92 Y 4.7958 8.4193 120.5806 58.3198 38.1535 175.6233 93 I 4.6487 8.7333 116.6060 59.9972 39.1466 175.1607 94 G 3.1300 7.4666 108.2901 45.9028 0.0000 172.4792 95 L 4.9912 8.0537 122.2951 54.0334 45.9000 174.1385 96 E 5.4802 9.5765 125.3897 54.8490 33.9054 174.5713 97 A 5.3828 8.9566 121.8348 50.9382 23.4509 175.2959 98 S 5.0780 9.3376 113.1027 56.7095 67.0908 173.2922 99 V 4.9460 8.9254 121.1352 61.2877 35.0173 173.7384 100 K 4.1942 8.3806 129.4328 54.8717 33.7045 174.9877 101 D 4.7594 9.2281 128.5153 53.3985 42.8530 175.7120 102 S 4.0754 9.9019 123.4599 61.2595 63.2380 176.9089 103 Q 3.9730 7.9627 118.9071 58.3544 29.0395 177.1046 104 R 3.6705 8.1204 117.1797 58.3598 30.3500 177.0697 105 F 5.1163 7.6796 116.8346 56.2660 39.6731 177.1918 106 A 4.2750 8.5285 124.9278 54.0770 18.3025 178.8733 107 N 4.8786 8.1763 110.0866 52.5936 37.9271 174.2427 108 E 4.7288 8.0114 118.9010 54.0175 31.8339 173.7894 109 P 4.4146 0.0000 0.0000 64.1684 31.7830 177.0540 110 G 4.0362 9.5777 109.5090 45.7303 0.0000 172.7552 111 N 4.5746 8.3914 115.0209 53.9683 36.7404 173.2433 112 W 5.1795 8.2054 116.6317 54.9800 31.1464 175.6987 113 A 4.5006 8.7059 125.8892 49.9788 21.2914 175.3749 114 F 5.1197 8.1335 118.1167 56.0199 42.9667 174.0037 115 Y 5.0152 8.8276 118.0209 56.6226 42.7910 173.9209 116 I 4.6831 8.2315 122.9654 59.9152 39.2000 175.4718 117 F 4.5247 9.4453 126.8271 60.0221 40.3686 175.3415 118 Y 5.2245 7.8204 113.2562 56.6993 40.8405 173.6219 119 V 4.7406 8.1840 112.5099 58.8685 37.1133 172.6046 120 P 4.3940 0.0000 0.0000 64.2603 31.5243 176.9325 121 D 4.3631 7.5833 124.7460 54.6070 38.4501 174.2664 122 T 4.5136 8.7158 112.1846 58.5095 70.3128 173.8367 123 P 4.3332 0.0000 0.0000 62.1676 31.7670 175.7840 124 L 4.3214 8.3733 121.5475 55.7121 42.4563 176.5459 125 V 4.5786 8.1891 118.7219 59.5845 33.5562 176.1593 126 A 4.3217 8.7700 124.8958 54.4029 19.5372 177.2527 127 A 5.4109 8.0374 114.9480 50.3311 22.4761 175.4765 128 A 4.7179 8.9411 122.5647 49.8572 22.2278 175.3194 129 K 4.8493 8.6345 122.5120 55.0501 33.6361 176.1578 130 N 3.8487 8.9003 124.2586 53.2709 37.5208 174.4070 131 L 4.5081 8.2192 122.8253 52.8704 43.6621 174.9673 132 P 4.4660 0.0000 0.0000 62.8414 32.2258 177.8803 133 T 3.8255 8.6255 112.6538 64.8727 68.5225 176.6920 134 A 4.0681 7.8583 122.4137 54.7328 18.4612 178.6435 135 E 4.0605 7.8239 117.0202 59.0104 29.5932 176.1987 136 C 4.3289 7.5877 113.6877 60.1821 31.2052 175.7533 137 A 3.3699 7.3999 120.3352 54.8692 17.9628 179.3817 138 A 3.8516 8.2016 119.7124 55.5226 18.4714 179.3709 139 C 4.0537 7.9094 116.5557 62.8927 31.6644 175.2028 140 H 3.9299 7.8487 117.4803 58.8274 28.1465 178.0081 141 K 4.0971 8.1893 119.1314 59.6438 32.5302 178.5989 142 E 4.1933 7.9408 118.9707 58.2962 29.5448 177.1751 143 N 4.9098 7.8623 112.4256 52.8184 41.2227 174.9112 144 A 3.1665 7.6416 121.3506 51.0534 18.8942 177.4590 145 K 3.9059 8.3162 123.1994 59.0585 32.6782 177.0507 146 T 4.4298 7.4819 115.9786 62.2625 70.7015 173.3669 147 D 4.5179 9.6918 128.9160 55.7315 39.6076 173.9036 148 M 2.9526 8.1599 112.6972 55.4600 29.9468 176.8970 149 V 4.1568 7.2420 118.9447 60.9704 34.4340 176.2068 150 F 4.5441 8.5505 126.9575 57.0217 37.9316 177.0226 151 T 3.9022 7.4399 112.1414 63.9354 69.3784 176.8984 152 Q 3.8612 7.6744 119.5236 58.2267 28.3797 176.9745 153 F 5.0009 7.3025 115.2870 57.4239 39.6792 175.6798 154 Y 5.2057 7.8001 120.2813 54.4054 37.6880 174.3495 155 P 4.4733 0.0000 0.0000 65.0888 31.7377 178.5974 156 V 3.6873 7.9394 118.2990 66.2081 31.3942 177.7798 157 L 4.2201 7.9776 118.3987 57.5693 41.3760 179.5229 158 R 4.0522 8.0704 118.1188 59.5815 30.2511 178.2972 159 A 4.1426 8.2256 120.4004 55.0448 18.3686 179.4699 160 A 4.2411 8.2671 120.7181 54.6452 18.2927 179.8749 161 K 3.5703 8.5418 117.0427 59.6884 32.4636 178.7625 162 A 4.1812 8.4500 120.2455 54.3723 18.0563 177.9639 163 T 4.3729 7.9472 104.3457 60.2903 70.0743 175.4355 164 G 3.7947 8.2205 109.9330 46.0757 0.0000 173.2346 165 E 4.7373 7.5259 119.6723 54.7959 31.7049 176.5576 166 S 4.8456 9.0282 117.3221 56.3320 63.1873 174.0371 167 G 4.2412 7.4852 109.9726 45.0337 0.0000 172.4782 168 V 3.8384 7.8837 113.2836 61.0948 32.1441 176.2941 169 V 4.3959 8.0291 121.9981 60.7562 34.2668 175.2213 170 A 4.1949 8.6031 127.7641 52.5539 18.2876 177.2304 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 A 8.25 4.28 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 G 7.74 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 3 V 8.60 3.79 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 0.60 0.00 0.00 0.95 0.00 0.00 4 A 7.92 4.08 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.43 4.66 0.00 1.75 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 2.41 2.21 0.00 6 F 8.69 5.42 0.00 2.94 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 7 N 8.96 4.80 0.00 3.02 3.03 0.00 0.00 6.93 7.41 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 8 D 8.72 4.35 0.00 2.72 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 9 K 8.21 4.23 0.00 1.90 1.95 0.00 1.63 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.50 7.81 10 G 8.52 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 11 E 8.47 4.62 0.00 2.26 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 2.45 2.37 0.00 12 L 8.97 4.35 0.00 1.16 0.76 0.33 0.26 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 13 L 8.55 4.63 0.00 1.54 1.53 0.91 0.88 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 14 L 8.28 2.76 0.00 1.33 1.38 0.79 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.27 0.00 1.63 1.92 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.00 0.00 16 K 8.44 4.35 0.00 1.78 1.63 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.38 7.81 17 N 8.40 3.99 0.00 2.79 2.70 0.00 0.00 6.90 7.48 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 18 Y 5.96 2.00 0.00 1.69 1.60 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 19 R 6.26 2.93 0.00 1.33 1.77 0.00 2.80 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.63 0.00 20 E 7.50 4.28 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 2.26 2.13 0.00 21 W 7.64 4.67 0.00 3.42 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 22 V 8.30 3.99 1.79 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 0.13 0.00 0.00 0.72 0.00 0.00 23 M 8.76 4.36 0.00 2.02 1.85 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.13 0.00 24 V 8.67 4.17 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 0.79 0.00 0.00 0.44 0.00 0.00 25 G 7.02 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.65 5.28 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 1.21 0.00 0.00 27 Q 9.22 4.79 0.00 1.98 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 2.14 2.26 0.00 28 V 8.18 4.88 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 0.80 0.00 0.00 0.90 0.00 0.00 29 T 8.79 4.45 4.15 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 1.11 0.00 0.00 30 P 0.00 4.38 0.00 2.02 2.04 0.00 3.70 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 *41 T 8.16 4.40 4.16 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 0.00 0.00 1.15 0.00 0.00 42 E 7.92 4.83 0.00 1.95 1.64 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 2.15 2.38 0.00 43 I 8.71 4.97 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.61 0.94 0.00 0.00 44 R 9.15 5.11 0.00 1.64 1.77 0.00 3.05 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 45 T 8.86 4.69 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 46 V 8.16 4.76 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 0.56 0.00 0.00 0.87 0.00 0.00 47 Y 9.14 5.39 0.00 3.15 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.81 5.17 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 1.21 0.00 0.00 1.01 0.00 0.00 49 D 8.31 3.37 0.00 1.58 1.54 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 50 P 0.00 4.27 0.00 2.15 2.17 0.00 2.76 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.14 0.00 51 E 8.03 3.95 0.00 2.04 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 2.36 2.47 0.00 52 S 8.42 4.25 0.00 4.18 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 0.00 53 Y 8.46 4.19 0.00 3.15 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 54 A 8.49 3.94 1.43 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 0.00 0.00 55 H 8.44 4.02 0.00 3.30 3.56 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 W 8.50 4.07 0.00 3.40 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 57 K 7.78 3.76 0.00 1.83 1.76 0.00 1.72 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 0.94 7.81 58 K 7.53 4.10 0.00 1.60 1.75 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.54 7.81 59 T 7.03 4.20 4.03 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 0.00 0.00 0.00 0.95 0.00 0.00 60 G 7.80 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 0.00 0.00 0.00 61 E 7.17 4.54 0.00 1.89 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 2.17 2.19 0.00 62 F 8.81 4.95 0.00 3.58 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 63 R 8.70 4.06 0.00 1.85 1.84 0.00 2.92 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.63 0.00 64 D 8.44 4.35 0.00 2.59 2.59 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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8.76 5.02 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 0.59 0.00 0.00 0.89 0.00 0.00 74 S 8.72 4.69 0.00 3.83 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 75 V 8.05 4.53 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 0.78 0.00 0.00 0.83 0.00 0.00 76 G 8.39 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 0.00 0.00 0.00 77 D 8.36 5.27 0.00 2.56 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 78 R 8.99 4.68 0.00 1.95 1.90 0.00 3.02 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 79 K 8.48 4.67 0.00 1.72 1.67 0.00 1.87 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.32 7.81 80 G 8.57 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 0.00 0.00 0.00 81 P 0.00 4.50 0.00 2.17 2.12 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 *85 N 8.09 4.53 0.00 2.71 2.75 0.00 0.00 6.96 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 86 G 7.71 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 87 Y 8.60 5.37 0.00 2.90 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 88 F 8.51 5.07 0.00 3.09 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 89 M 8.92 4.33 0.00 1.86 2.12 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.56 0.00 90 G 9.07 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 0.00 0.00 0.00 91 D 7.12 4.89 0.00 2.64 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 92 Y 8.42 4.80 0.00 3.04 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.73 4.65 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.59 0.96 0.00 0.00 94 G 7.47 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 0.00 0.00 0.00 95 L 8.05 4.99 0.00 1.93 1.75 0.67 0.85 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 96 E 9.58 5.48 0.00 1.97 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 2.25 2.24 0.00 97 A 8.96 5.38 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 9.34 5.08 0.00 3.28 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 99 V 8.93 4.95 2.56 0.00 0.00 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 1.13 0.00 0.00 100 K 8.38 4.19 0.00 0.79 0.81 0.00 1.25 0.00 0.00 1.59 0.00 0.00 2.72 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.95 0.56 7.81 101 D 9.23 4.76 0.00 2.70 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 0.00 0.00 0.00 0.00 102 S 9.90 4.08 0.00 3.96 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 0.00 103 Q 7.96 3.97 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.11 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 104 R 8.12 3.67 0.00 1.17 0.80 0.00 2.21 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.99 0.00 105 F 7.68 5.12 0.00 3.38 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.53 4.27 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 0.00 107 N 8.18 4.88 0.00 2.86 2.93 0.00 0.00 5.93 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 0.00 108 E 8.01 4.73 0.00 2.26 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 0.00 2.38 2.39 0.00 109 P 0.00 4.41 0.00 2.29 2.06 0.00 3.84 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 110 G 9.58 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 0.00 111 N 8.39 4.57 0.00 2.83 3.04 0.00 0.00 6.89 8.24 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 0.00 112 W 8.21 5.18 0.00 3.20 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.71 4.50 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 8.13 5.12 0.00 2.84 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 0.00 115 Y 8.83 5.02 0.00 2.88 2.40 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 0.00 116 I 8.23 4.68 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.61 0.97 0.00 0.00 117 F 9.45 4.52 0.00 3.32 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 0.00 118 Y 7.82 5.22 0.00 3.28 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 0.00 119 V 8.18 4.74 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 0.62 0.00 0.00 0.93 0.00 0.00 120 P 0.00 4.39 0.00 2.01 2.04 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 121 D 7.58 4.36 0.00 2.69 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 0.00 122 T 8.72 4.51 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 123 P 0.00 4.33 0.00 2.23 2.14 0.00 3.82 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 2.03 2.00 0.00 124 L 8.37 4.32 0.00 1.21 1.48 0.96 0.66 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 0.00 125 V 8.19 4.58 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 0.76 0.00 0.00 1.07 0.00 0.00 126 A 8.77 4.32 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 0.00 127 A 8.04 5.41 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 0.00 128 A 8.94 4.72 0.61 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 0.00 0.00 129 K 8.63 4.85 0.00 1.84 1.74 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.51 7.81 130 N 8.90 3.85 0.00 2.38 2.34 0.00 0.00 6.09 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 0.00 131 L 8.22 4.51 0.00 1.45 1.69 0.89 1.08 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 0.00 132 P 0.00 4.47 0.00 2.03 1.94 0.00 3.74 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 2.08 2.06 0.00 133 T 8.63 3.83 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 1.22 0.00 0.00 134 A 7.86 4.07 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 0.00 135 E 7.82 4.06 0.00 1.96 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 2.26 2.30 0.00 136 C 7.59 4.33 0.00 2.43 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 0.00 0.00 0.00 0.00 137 A 7.40 3.37 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 0.00 138 A 8.20 3.85 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 0.00 139 C 7.91 4.05 0.00 2.99 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 H 7.85 3.93 0.00 3.13 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.19 4.10 0.00 1.89 2.01 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.74 1.47 7.81 142 E 7.94 4.19 0.00 2.24 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 2.34 2.33 0.00 143 N 7.86 4.91 0.00 3.04 3.06 0.00 0.00 6.98 8.47 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 0.00 144 A 7.64 3.17 0.31 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 0.00 145 K 8.32 3.91 0.00 1.57 1.73 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.42 7.81 146 T 7.48 4.43 4.54 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 1.54 0.00 0.00 147 D 9.69 4.52 0.00 3.08 3.26 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 0.00 148 M 8.16 2.95 0.00 1.95 1.69 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 149 V 7.24 4.16 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 1.10 0.00 0.00 -0.10 0.00 0.00 150 F 8.55 4.54 0.00 3.14 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 0.00 151 T 7.44 3.90 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 152 Q 7.67 3.86 0.00 1.80 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.96 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 153 F 7.30 5.00 0.00 2.78 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 0.00 154 Y 7.80 5.21 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 0.00 155 P 0.00 4.47 0.00 2.35 2.40 0.00 4.01 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 156 V 7.94 3.69 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 1.11 0.00 0.00 0.98 0.00 0.00 157 L 7.98 4.22 0.00 1.92 1.44 0.79 0.70 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 0.00 158 R 8.07 4.05 0.00 2.04 2.21 0.00 3.33 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 159 A 8.23 4.14 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 0.00 160 A 8.27 4.24 1.63 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 0.00 0.00 161 K 8.54 3.57 0.00 1.58 2.00 0.00 1.47 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.25 0.89 7.81 162 A 8.45 4.18 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 T 7.95 4.37 4.26 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 1.23 0.00 0.00 164 G 8.22 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 0.00 165 E 7.53 4.74 0.00 2.22 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 0.00 2.27 2.43 0.00 166 S 9.03 4.85 0.00 3.94 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 0.00 167 G 7.49 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 0.00 168 V 7.88 3.84 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 0.73 0.00 0.00 0.96 0.00 0.00 169 V 8.03 4.40 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 0.84 0.00 0.00 1.01 0.00 0.00 170 A 8.60 4.19 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 * Residues marked with a * may have inaccurate shift predictions.