NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-5 N 4.6429 8.4249 117.7897 51.7108 39.5439 175.1337 -4 L 3.9849 7.7396 120.4670 53.4581 40.8567 173.7925 -3 Y 4.8234 8.3710 123.1898 55.6262 41.7128 176.7196 -2 F 4.5872 8.5037 118.9154 61.1838 39.1849 177.2409 -1 Q 4.5033 8.6482 118.3525 59.4506 28.4800 179.1599 0 G 3.6757 7.5387 103.3165 45.7798 0.0000 174.1651 -3 L 4.6134 8.4110 124.6898 52.8262 46.3128 178.4196 -2 Y 4.5172 8.3237 118.9154 61.3838 37.3849 177.3409 -1 D 4.8033 8.6682 118.9525 57.9506 40.1800 179.4599 0 L 4.0557 7.3687 116.3165 55.7798 41.3822 176.8651 6 T 2.4800 7.1722 107.4662 61.4497 70.0481 176.2395 7 V 3.3120 6.9962 118.9788 65.2550 31.8551 178.5096 8 V 3.4321 6.8528 116.8133 66.0512 31.4097 177.7101 9 Q 3.9344 7.6120 117.5022 59.1002 29.0750 177.5778 10 F 4.5084 8.2467 118.6919 60.4675 39.1136 177.5198 11 S 4.3554 7.9011 115.1709 61.3455 62.6353 176.7427 12 K 3.9864 7.9629 118.5462 57.8947 31.7755 177.8656 *14 L 4.3113 7.8314 119.3844 54.5348 43.8293 179.2272 15 K 3.9890 8.2529 118.0718 59.5456 31.8473 179.1313 16 N 4.3891 8.2798 116.8527 56.0666 38.1225 177.2387 17 L 4.0174 7.8085 121.3468 58.1357 42.0938 178.1500 18 N 4.4414 8.3063 115.8320 56.9393 39.1454 176.3050 19 A 4.1852 8.2633 121.9624 55.2040 18.5832 179.3272 20 I 3.5814 7.9717 118.3783 64.9537 37.1577 178.4770 21 F 4.0723 8.0332 117.5592 59.9731 38.6659 177.3824 22 D 4.4439 8.2502 119.2621 57.4211 40.5927 178.8878 23 K 4.0600 8.0360 118.2392 59.0998 32.0278 179.0956 24 A 4.0129 7.7689 120.8429 55.2027 18.2653 179.5625 25 E 3.9721 8.5474 116.9053 59.5491 29.5682 179.4158 26 A 4.0202 8.0737 120.8623 54.9797 18.3404 179.4911 27 F 3.9663 8.5072 118.9226 61.4619 39.4747 177.1010 28 A 3.9384 8.4832 120.7617 55.1591 17.9936 179.2688 29 E 3.8008 8.3219 117.6791 59.3578 29.5650 178.8103 30 L 3.8852 7.5761 118.9974 57.7269 42.2912 178.2261 31 K 4.0170 7.8015 115.4004 55.0538 33.2334 176.4255 32 K 3.7452 7.3954 118.0217 57.8159 29.7861 175.6498 33 V 4.4371 7.7658 116.9291 60.6783 35.1113 176.5564 34 D 4.6407 8.3212 127.3790 53.8825 41.2882 176.8083 *36 D 4.5710 8.6825 112.2850 54.2195 43.1270 178.2329 37 V 3.6553 7.8613 117.6220 65.9265 31.7553 177.7961 38 L 4.1967 7.9049 118.2547 57.8578 41.7473 179.2641 39 L 4.1649 8.0576 118.3978 57.2800 41.3668 178.0942 40 N 4.8169 7.7651 113.4183 52.2825 39.2624 175.1319 41 S 4.4973 7.5543 116.9007 58.0819 63.3592 172.5479 42 R 4.8491 7.8831 118.0619 55.4472 31.4878 174.8367 43 L 4.2112 8.3799 117.3702 55.9743 42.4890 176.8286 44 A 4.5831 7.4821 119.5314 50.4824 21.9413 176.7601 45 A 3.9729 8.7287 123.5862 54.8704 18.5480 178.5180 46 D 4.7569 7.9700 112.5373 52.9543 39.7780 175.5591 47 Q 4.5080 7.6785 120.1833 54.0489 31.1115 175.3214 48 F 4.4848 8.3650 122.2757 58.2520 39.5922 175.8193 49 N 4.9630 8.7118 122.2047 51.9229 40.0439 175.8601 50 L 4.0529 8.3827 121.1588 58.3701 41.9954 178.8638 51 I 3.7048 7.8359 119.5035 64.6129 37.0082 178.6979 52 R 4.1438 8.3247 120.1153 58.7057 29.9238 179.0922 53 Q 4.0608 8.5911 118.4252 58.9621 28.6816 179.1723 54 V 3.7334 7.9401 119.1594 66.0952 31.4679 177.9789 55 Q 3.9124 8.0843 117.7907 59.2240 28.4675 179.1939 56 I 3.6316 7.9896 120.6716 63.8722 37.1745 178.1171 57 A 3.9146 8.0446 121.7892 55.5111 18.2006 179.3356 58 C 3.9901 8.0865 114.9352 63.3201 28.2623 176.3533 59 D 4.3570 8.2533 120.3447 57.4200 40.3434 178.9283 60 T 3.8531 8.2081 116.5640 66.5263 68.4273 176.5423 61 A 4.0200 7.7311 122.2987 54.9835 18.4473 179.4453 62 K 4.0639 8.1992 118.1960 59.9825 32.3156 179.2421 63 V 3.7754 8.5252 118.9828 65.7023 31.4631 178.2051 64 G 3.9889 8.3540 105.6930 48.1147 0.0000 175.9097 65 V 3.6667 8.0679 120.9666 65.2917 31.4999 177.8661 66 A 4.1726 8.3238 120.6869 55.3026 18.3570 179.8773 67 R 3.7473 8.4211 116.8217 59.4866 30.0466 179.2313 68 L 4.0825 8.1015 118.9468 57.4534 41.4116 178.7159 69 T 4.4008 7.4371 106.2372 60.5596 69.1859 175.0075 70 G 3.9245 7.6841 109.0095 47.1022 0.0000 174.1727 71 Q 4.7101 8.3366 117.5984 55.0696 29.6060 178.1307 72 L 4.0562 8.1144 122.6980 58.0604 42.4941 178.5643 73 E 3.9354 8.3422 117.5341 58.9690 29.3957 177.6278 74 T 4.4030 7.6167 105.1408 60.9391 69.4267 174.5567 75 A 3.9975 7.5382 126.5195 51.2343 18.9335 176.0561 76 P 4.1974 0.0000 0.0000 63.1812 32.0152 176.7095 77 K 4.3760 8.1853 122.3215 53.7683 32.9326 174.8787 78 H 4.8118 8.4608 121.5939 53.7367 32.0059 174.0464 79 D 4.4836 8.5413 122.5248 53.3571 39.2528 174.2966 80 D 4.9659 8.5407 130.4454 52.6462 40.3426 177.6007 81 S 4.5002 8.3404 112.2648 58.3516 64.3678 174.7683 82 E 4.2506 7.9005 122.5051 57.0305 29.6830 177.2869 83 T 4.6294 9.5107 111.4131 60.3346 70.5772 174.3844 84 T 4.6378 7.7218 112.4066 59.4875 72.7714 174.6467 85 L 3.6931 8.2720 122.9027 57.9889 42.2578 178.8720 86 A 3.9566 7.9507 120.3503 55.4820 18.3474 179.3878 87 E 4.2025 7.9389 117.9094 58.9492 29.4615 179.5794 88 L 3.9082 8.0413 119.2689 57.8297 41.5657 179.8153 89 R 3.9114 8.0293 118.0508 59.1843 29.4748 179.0969 90 Q 3.9884 7.8862 117.6219 58.6958 28.6502 178.7431 91 R 3.8557 7.7976 119.8112 59.3898 30.1100 178.6108 92 I 3.6450 7.6857 119.3723 64.4348 37.0907 178.2906 93 A 4.0089 8.1631 121.6183 55.2000 18.1943 179.6079 94 S 4.0757 8.5139 112.1431 61.5623 62.3836 176.6447 95 V 3.7871 7.8929 121.0024 65.8552 31.3020 177.9751 96 L 4.0694 8.2228 118.9541 58.1135 41.2351 179.6732 97 T 3.9247 7.9980 114.6842 66.7100 68.8466 175.5184 98 Y 4.5295 8.1812 121.4487 61.2139 38.6650 178.5759 99 L 4.1910 8.5873 119.8034 57.7723 41.4421 179.3326 100 E 4.2364 8.3282 118.1357 59.0441 29.4376 178.7040 101 G 3.7214 7.8137 102.6488 44.5882 0.0000 173.3029 102 F 4.9496 7.3561 119.7619 55.8551 41.2145 174.8708 103 S 4.7352 9.6656 116.5648 56.1097 66.3406 174.7791 104 E 3.7444 8.2155 119.5673 59.6110 29.5253 179.7676 105 A 4.0970 7.6431 120.9944 55.2621 18.5205 179.1945 106 D 4.4980 8.1843 114.7105 56.8175 41.1588 177.1597 107 F 4.6246 8.6950 117.7460 57.0860 39.1731 177.3509 108 A 4.6058 8.0282 126.4941 55.1217 18.3030 179.3353 109 N 5.0473 8.0133 110.8714 52.9609 39.8654 176.4821 110 A 4.3679 8.4748 124.3844 54.7180 19.0461 180.9055 111 A 4.1613 8.3236 118.8246 54.7640 18.5590 178.7275 112 T 4.4456 7.6344 102.9276 61.3711 70.4163 174.5648 113 I 3.6996 7.6002 123.9648 61.9886 39.1047 174.3543 114 Q 4.9387 8.5366 127.5938 54.9086 29.8550 174.8915 115 I 4.3014 9.0027 125.6652 59.6384 39.9952 175.1341 116 S 4.7883 8.2523 120.8131 56.4165 63.4301 173.3964 117 Q 3.6670 6.0921 124.6190 54.4186 29.1430 176.1590 118 P 4.2327 0.0000 0.0000 66.4384 31.1693 179.8930 119 R 4.1719 7.9200 117.5043 60.5180 29.6522 179.6361 120 W 4.8741 8.6164 118.5015 57.5039 29.5739 176.6476 121 Q 3.5758 9.0054 116.9357 55.9519 25.3320 180.1591 122 G 4.1807 8.3968 107.4293 45.7429 0.0000 174.4440 123 K 4.2494 7.9764 119.6347 56.5859 32.5400 175.6402 124 Y 5.5259 8.2175 119.8384 55.3678 41.4072 174.3152 125 L 5.0929 9.2542 119.5214 52.9098 45.8758 176.5269 126 T 4.6659 9.3352 111.8761 61.4201 69.9274 176.0201 127 G 4.1534 9.0745 111.2542 47.5204 0.0000 175.5622 128 Y 4.0981 8.0561 121.2935 60.7866 38.8616 178.1285 129 E 4.0533 8.4726 119.4630 59.3382 29.5732 178.9264 130 F 4.2951 9.1839 120.9316 61.4044 39.5501 176.9060 131 A 3.9303 8.4668 120.3687 55.4220 18.0107 179.7786 132 I 3.6374 7.4910 116.6975 63.9758 37.3312 177.7321 133 E 4.5077 8.4900 116.7997 56.7191 30.5542 175.0588 134 H 4.5651 7.7775 115.4048 57.3063 32.7159 175.2065 135 A 3.8639 7.8823 120.5791 55.1457 18.3025 179.7651 136 I 3.8446 7.6477 117.9489 64.3011 37.3247 176.8878 137 P 4.4181 0.0000 0.0000 65.8153 31.2127 178.4587 138 N 4.3721 8.2785 115.3210 55.9859 38.5431 177.2866 139 L 3.7057 7.9218 121.8384 58.3933 42.0920 178.7377 140 Y 4.2400 7.7126 116.6336 60.7313 37.7372 177.9658 141 F 4.0010 8.4492 121.8131 62.0273 39.4835 177.1165 142 H 4.6378 8.2625 116.6432 58.2396 28.4265 178.0045 143 I 3.8460 7.8150 121.5011 64.7175 36.8749 178.6054 144 T 3.7772 8.2422 116.6998 66.9127 68.1782 176.9365 145 T 3.7171 7.9614 117.5264 66.2584 68.4199 176.7232 146 A 3.9877 8.1867 122.7803 55.3197 18.3615 178.7578 147 Y 4.0250 8.3470 118.5288 61.0390 38.6819 178.8838 148 G 3.6373 8.4741 106.7006 47.7351 0.0000 175.6048 149 I 3.6928 7.8861 122.3447 64.2348 37.1616 178.5319 150 L 3.7628 7.5545 119.0996 57.6713 41.4253 179.5750 151 R 3.8586 7.9319 120.3443 59.1036 29.7668 178.0303 152 H 4.1399 8.2052 117.2735 59.1119 29.9264 176.3234 153 N 4.4946 7.5712 115.9268 53.3374 38.6915 175.7833 154 G 3.9308 7.4372 107.5568 44.8013 0.0000 174.4352 155 V 3.1852 7.0284 121.1106 62.8820 32.3876 176.3145 156 E 4.4470 8.3788 129.0788 55.2806 28.3083 176.6165 157 V 4.0870 6.9263 112.2589 60.5572 33.4873 176.1469 158 G 4.4998 9.1363 110.9846 42.7274 0.0000 173.3544 159 K 3.9508 8.7483 118.5371 59.5662 31.8617 178.6859 160 K 4.0698 8.1538 118.2921 59.4732 31.7468 178.8386 161 D 4.4345 8.0639 118.6821 57.2479 40.7526 177.9360 162 Y 4.3076 8.0631 118.9694 60.8387 39.0725 177.2538 163 L 3.9826 8.1030 118.7655 56.8391 42.1892 178.4806 164 G 3.8303 8.3815 106.4717 44.4306 0.0000 173.6009 165 A 4.2037 8.0992 124.6335 51.4014 19.1070 176.8704 *167 P 4.1417 0.0000 0.0000 63.2602 32.0559 176.3774 168 Y 4.3571 7.2667 117.4809 58.7948 39.0057 176.3513 169 K 4.7249 8.3318 121.7766 54.9772 35.6863 175.0779 170 A 4.5510 7.9514 121.6961 50.6000 21.8187 174.6976 171 P 4.4387 0.0000 0.0000 62.5893 32.0132 176.4727 172 I 4.1202 8.2191 124.1871 61.2046 38.1764 176.8668 173 L 4.3004 8.4156 123.7137 54.3888 40.9544 173.8790 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 *-5 N 8.42 4.64 0.00 2.48 2.66 0.00 0.00 6.70 6.90 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 -4 L 7.74 3.98 0.00 1.60 1.60 0.88 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 8.37 4.82 0.00 2.95 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 -2 F 8.50 4.59 0.00 3.20 3.21 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 -1 Q 8.65 4.50 0.00 2.57 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.18 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 0 G 7.54 3.68 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 0.00 0.00 0.00 -3 L 8.41 4.61 0.00 1.54 1.30 0.92 1.09 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 -2 Y 8.32 4.52 0.00 3.09 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 D 8.67 4.80 0.00 3.17 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 0 L 7.37 4.06 0.00 1.53 1.54 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.17 2.48 3.76 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 0.88 0.00 0.00 7 V 7.00 3.31 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 0.00 0.00 0.84 0.00 0.00 0.85 0.00 0.00 8 V 6.85 3.43 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 0.99 0.00 0.00 0.63 0.00 0.00 9 Q 7.61 3.93 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 10 F 8.25 4.51 0.00 3.01 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 11 S 7.90 4.36 0.00 4.04 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 12 K 7.96 3.99 0.00 1.80 1.94 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.48 7.81 *14 L 7.83 4.31 0.00 1.79 1.75 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.25 3.99 0.00 1.98 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.64 7.81 16 N 8.28 4.39 0.00 2.72 3.05 0.00 0.00 6.62 6.28 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 17 L 7.81 4.02 0.00 1.82 1.95 1.06 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.31 4.44 0.00 2.86 3.08 0.00 0.00 7.25 8.68 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 19 A 8.26 4.19 1.41 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 20 I 7.97 3.58 1.98 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.06 0.54 0.00 0.00 21 F 8.03 4.07 0.00 3.35 3.16 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 0.00 22 D 8.25 4.44 0.00 2.90 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 23 K 8.04 4.06 0.00 1.87 1.81 0.00 1.63 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.49 7.81 24 A 7.77 4.01 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 25 E 8.55 3.97 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 26 A 8.07 4.02 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 27 F 8.51 3.97 0.00 3.14 3.21 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 28 A 8.48 3.94 1.53 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 0.00 0.00 29 E 8.32 3.80 0.00 2.09 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 2.30 2.33 0.00 30 L 7.58 3.89 0.00 1.72 1.65 0.88 0.68 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 31 K 7.80 4.02 0.00 1.13 1.49 0.00 1.74 0.00 0.00 1.52 0.00 0.00 3.02 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.84 0.42 7.81 32 K 7.40 3.75 0.00 1.76 1.82 0.00 1.53 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.36 7.81 33 V 7.77 4.44 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 0.86 0.00 0.00 0.89 0.00 0.00 34 D 8.32 4.64 0.00 2.73 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 0.00 0.00 0.00 0.00 *36 D 8.68 4.57 0.00 2.94 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 37 V 7.86 3.66 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.96 0.00 0.00 38 L 7.90 4.20 0.00 1.83 1.76 1.07 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.06 4.16 0.00 1.72 1.75 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.77 4.82 0.00 2.88 2.87 0.00 0.00 6.98 7.19 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 41 S 7.55 4.50 0.00 4.10 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 42 R 7.88 4.85 0.00 1.95 1.90 0.00 3.10 0.00 0.00 3.52 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 43 L 8.38 4.21 0.00 1.82 1.70 0.85 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 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4.14 0.00 1.95 1.50 0.00 3.41 0.00 0.00 3.16 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 53 Q 8.59 4.06 0.00 2.25 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.76 2.61 0.00 54 V 7.94 3.73 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 1.00 0.00 0.00 1.16 0.00 0.00 55 Q 8.08 3.91 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 56 I 7.99 3.63 1.66 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.57 0.60 0.00 0.00 57 A 8.04 3.91 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 58 C 8.09 3.99 0.00 3.08 2.92 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 59 D 8.25 4.36 0.00 2.63 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 60 T 8.21 3.85 4.22 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.95 3.96 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 87 E 7.94 4.20 0.00 2.17 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 2.30 2.18 0.00 88 L 8.04 3.91 0.00 1.61 1.42 0.61 0.77 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 89 R 8.03 3.91 0.00 2.02 1.94 0.00 3.11 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 90 Q 7.89 3.99 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 91 R 7.80 3.86 0.00 1.99 2.07 0.00 2.73 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 1.51 1.58 0.00 92 I 7.69 3.65 2.00 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 1.45 0.52 0.93 0.00 0.00 93 A 8.16 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 94 S 8.51 4.08 0.00 3.93 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 95 V 7.89 3.79 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 1.22 0.00 0.00 1.04 0.00 0.00 96 L 8.22 4.07 0.00 1.97 1.76 0.95 0.64 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 97 T 8.00 3.92 4.47 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 1.27 0.00 0.00 98 Y 8.18 4.53 0.00 3.10 3.34 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 99 L 8.59 4.19 0.00 1.94 1.74 1.03 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.33 4.24 0.00 2.27 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 2.40 2.47 0.00 101 G 7.81 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 F 7.36 4.95 0.00 3.25 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 0.00 103 S 9.67 4.74 0.00 3.81 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 0.00 104 E 8.22 3.74 0.00 1.86 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 0.00 2.08 1.67 0.00 105 A 7.64 4.10 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 0.00 106 D 8.18 4.50 0.00 3.10 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 0.00 107 F 8.69 4.62 0.00 3.47 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 0.00 108 A 8.03 4.61 1.41 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 0.00 109 N 8.01 5.05 0.00 2.74 2.79 0.00 0.00 7.00 7.67 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 0.00 110 A 8.47 4.37 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 0.00 0.00 111 A 8.32 4.16 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.63 4.45 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 1.15 0.00 0.00 113 I 7.60 3.70 2.01 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.28 0.97 0.00 0.00 114 Q 8.54 4.94 0.00 1.74 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.46 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 115 I 9.00 4.30 1.76 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.72 0.18 0.00 0.00 116 S 8.25 4.79 0.00 3.95 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 0.00 117 Q 6.09 3.67 0.00 0.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.51 6.68 0.00 0.00 0.00 0.00 0.00 1.72 1.16 0.00 118 P 0.00 4.23 0.00 2.11 2.05 0.00 3.41 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 119 R 7.92 4.17 0.00 1.91 1.85 0.00 3.26 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.29 0.00 120 W 8.62 4.87 0.00 3.54 3.33 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 0.00 121 Q 9.01 3.58 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 122 G 8.40 4.18 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 0.00 123 K 7.98 4.25 0.00 1.85 1.74 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.54 7.81 124 Y 8.22 5.53 0.00 3.18 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 9.25 5.09 0.00 1.94 1.79 1.11 0.96 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 0.00 126 T 9.34 4.67 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 127 G 9.07 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 0.00 0.00 0.00 0.00 128 Y 8.06 4.10 0.00 3.18 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.47 4.05 0.00 2.42 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 2.46 2.53 0.00 130 F 9.18 4.30 0.00 3.31 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 A 8.47 3.93 1.41 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 0.00 132 I 7.49 3.64 1.77 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.38 0.87 0.00 0.00 133 E 8.49 4.51 0.00 1.98 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 2.27 2.41 0.00 134 H 7.78 4.57 0.00 3.11 2.86 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 7.88 3.86 1.12 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 0.00 0.00 136 I 7.65 3.84 2.06 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 1.78 0.94 1.20 0.00 0.00 137 P 0.00 4.42 0.00 2.14 2.14 0.00 3.63 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 138 N 8.28 4.37 0.00 2.92 2.87 0.00 0.00 6.63 6.05 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 0.00 139 L 7.92 3.71 0.00 1.14 1.19 0.04 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 7.71 4.24 0.00 3.21 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 0.00 141 F 8.45 4.00 0.00 3.17 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 0.00 142 H 8.26 4.64 0.00 3.33 3.59 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.82 3.85 1.99 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 1.55 0.77 1.09 0.00 0.00 144 T 8.24 3.78 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 0.90 0.00 0.00 145 T 7.96 3.72 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 146 A 8.19 3.99 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 0.00 147 Y 8.35 4.03 0.00 3.09 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 0.00 148 G 8.47 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 0.00 0.00 0.00 149 I 7.89 3.69 1.99 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 1.53 1.48 0.96 0.00 0.00 150 L 7.55 3.76 0.00 1.51 1.38 0.28 0.79 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 0.00 151 R 7.93 3.86 0.00 1.58 1.94 0.00 3.02 0.00 0.00 2.91 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.44 0.00 152 H 8.21 4.14 0.00 3.16 3.51 0.00 6.00 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 N 7.57 4.49 0.00 2.62 2.62 0.00 0.00 7.25 8.96 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 0.00 154 G 7.44 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 0.00 155 V 7.03 3.19 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.26 0.00 0.00 156 E 8.38 4.45 0.00 1.99 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 2.27 2.35 0.00 157 V 6.93 4.09 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 0.42 0.00 0.00 0.05 0.00 0.00 158 G 9.14 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.75 3.95 0.00 1.87 1.86 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.52 1.66 7.81 160 K 8.15 4.07 0.00 1.99 1.90 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.53 1.10 7.81 161 D 8.06 4.43 0.00 2.95 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 0.00 162 Y 8.06 4.31 0.00 2.72 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 L 8.10 3.98 0.00 1.69 1.69 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 164 G 8.38 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 0.00 165 A 8.10 4.20 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 *167 P 0.00 4.14 0.00 2.16 2.09 0.00 3.54 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.91 0.00 168 Y 7.27 4.36 0.00 3.03 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 K 8.33 4.72 0.00 1.73 1.70 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.41 7.81 170 A 7.95 4.55 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 0.00 171 P 0.00 4.44 0.00 2.05 2.00 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 172 I 8.22 4.12 1.87 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 1.28 0.77 0.91 0.00 0.00 173 L 8.42 4.30 0.00 1.66 1.42 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.