NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 79 S 4.1551 8.3349 117.0514 58.3354 64.1020 173.1033 80 Y 4.8971 7.8790 117.0035 57.2683 38.3538 175.2296 81 E 4.0194 8.3363 118.8695 59.0358 30.6078 181.4460 82 T 4.5022 7.8765 106.4913 61.3928 69.7568 174.9995 83 S 4.5141 8.0220 116.2487 58.4578 65.1113 172.9066 84 Q 4.6191 8.3012 125.2482 54.8921 28.0114 175.6711 *85 H 4.1716 8.8773 122.8848 56.8089 28.1665 174.0360 86 N 5.0652 7.7661 116.8210 51.8409 38.0193 176.4392 87 L 3.8538 7.7527 123.3384 59.5304 42.0741 177.5876 88 D 4.3414 8.1269 118.0018 57.3927 40.8189 178.6047 89 A 3.9170 7.8288 120.6336 54.9665 18.4038 179.5571 90 V 3.3016 7.8208 116.9793 66.1972 31.4777 177.9678 91 E 3.9069 8.6171 118.3013 59.4305 29.2926 179.3036 92 A 3.9393 7.9156 120.6239 55.1789 18.4477 179.8707 93 V 3.5127 7.8110 116.7274 66.1580 31.5774 178.3185 94 L 4.0003 8.1794 118.9965 57.4807 41.4207 179.2580 95 S 4.0521 8.2470 113.3940 61.4688 62.3664 176.2311 96 R 3.8271 7.9070 121.2566 59.3014 29.8237 178.0968 97 L 4.1234 7.9536 121.4510 57.7359 42.0109 178.7987 98 Q 4.1957 8.1189 120.7754 58.6055 28.7824 178.2179 99 K 4.0439 7.8245 118.2926 58.7874 32.4527 178.7260 100 Q 4.1528 8.0403 118.8208 57.5679 28.6737 177.3326 101 T 4.5185 7.7544 108.7325 60.3709 70.1731 174.9393 102 G 4.0588 8.4001 109.4384 46.7108 0.0000 173.4680 103 E 4.5436 7.4176 124.2106 55.7053 29.7807 178.3399 *105 A 4.3734 8.6024 128.8542 52.9047 20.0182 174.7536 106 A 5.1167 9.0371 120.9086 50.6676 23.3882 174.5827 107 Y 5.4490 8.8192 120.2396 55.1001 42.3815 174.9454 *109 V 3.9937 8.0466 114.6172 60.2911 33.4850 173.3331 110 P 4.7272 0.0000 0.0000 62.3822 32.2629 176.2760 111 V 4.1501 8.6924 121.7486 61.6459 34.0412 176.4376 112 G 3.5849 8.1654 119.7670 47.2488 0.0000 172.8371 113 Y 4.8109 8.4203 123.7447 57.9948 38.2606 174.2615 114 R 5.4123 8.3543 118.9496 54.3744 35.2963 174.0068 115 A 5.0509 9.2377 123.1724 50.4328 20.8741 175.6130 116 L 4.6829 8.7390 126.0275 54.2812 43.6777 175.8787 117 C 4.2977 8.9503 127.4682 58.8510 31.4726 174.0191 118 V 3.6577 8.5905 127.9037 64.8809 31.8042 176.3504 119 S 4.9941 7.7729 113.0162 56.9039 65.9138 172.6861 120 Q 4.9417 8.7622 126.5119 54.3237 32.0531 174.3488 121 R 4.4006 8.8435 124.5566 56.3388 30.3255 173.6989 122 E 3.9999 8.4954 121.9898 55.9973 30.3996 174.7746 123 S 4.4227 8.2175 115.8386 57.8196 65.1302 174.0963 *125 Q 4.4342 7.9924 118.5493 56.1641 28.9078 176.0314 126 A 4.7151 8.3700 125.1816 52.6106 19.5944 175.6462 127 L 4.2313 7.9651 122.7711 56.5023 42.5789 177.3991 128 R 4.5526 8.3400 125.8971 54.4204 29.2813 174.5602 129 C 4.5736 7.6927 117.2770 56.6400 32.1691 175.3469 130 S 4.0206 9.0619 115.1653 60.3025 62.4639 174.7198 131 F 4.5197 7.3606 120.7325 56.3950 39.3591 175.3516 132 V 4.4466 8.2054 124.6784 60.4690 34.2830 174.2066 133 Q 4.3388 9.0304 127.8656 58.1512 29.0938 176.9024 134 G 4.4313 9.6012 113.6539 45.3079 0.0000 172.8338 135 Q 4.9922 8.1687 118.5700 53.9893 32.2412 174.6656 136 S 5.4087 8.6293 114.6920 56.8332 66.4367 172.9754 137 Q 4.7667 8.7199 118.5609 53.1380 32.7600 173.3726 138 P 4.7015 0.0000 0.0000 63.1947 32.0858 177.0280 139 L 4.2692 8.9308 126.8063 53.4458 40.0721 174.5867 140 L 4.7026 8.1463 123.6080 55.3804 49.8100 175.2566 141 R 4.6181 7.9522 115.9339 55.3281 32.4688 177.0986 142 G 4.1589 9.6506 105.3884 45.8344 0.0000 174.4767 143 A 4.0866 8.7064 121.5406 55.3005 18.0384 180.5418 144 S 4.0567 7.9600 111.9139 61.8754 62.8008 176.5471 145 S 4.3727 8.1522 117.2787 61.7808 62.6966 176.9028 146 K 4.4754 8.3922 121.1129 59.2383 31.8375 179.7249 147 V 3.7548 7.9605 114.8343 64.0886 30.8362 177.3176 *149 L 4.1046 7.8257 118.1568 54.3402 43.3826 178.2186 150 A 3.3580 7.9633 120.2796 54.4401 19.1256 177.6655 151 Y 4.3359 7.6191 114.4957 56.9637 38.0082 173.8399 *153 P 4.3213 0.0000 0.0000 61.8305 34.2497 176.7537 154 A 3.9125 8.5316 123.4631 55.6028 18.3376 179.9852 155 A 3.9232 7.9673 118.4118 55.2084 18.4886 179.7124 156 R 3.7422 7.8169 116.5789 59.7416 30.3355 177.8805 157 C 3.9492 8.0126 118.4419 62.7260 31.3565 175.4727 158 E 3.9437 8.5089 120.2576 59.3801 29.0363 179.4529 159 K 3.9853 7.9885 118.2999 59.4908 32.1116 179.5549 160 I 3.8949 7.7748 119.8259 64.5249 37.0671 178.5193 161 L 4.0204 8.0322 119.8494 57.8771 41.3686 179.8470 162 R 4.0161 8.3236 118.3812 59.2965 29.7311 178.3409 163 Y 3.9453 7.6569 118.5653 60.4665 38.6938 177.4250 164 F 4.4596 7.4201 115.0638 57.0836 39.0793 176.2994 165 G 3.8641 7.7097 106.5836 45.8955 0.0000 173.5591 166 E 4.5043 8.1056 118.3784 54.6929 31.2738 175.7207 167 D 4.7257 8.4295 121.7402 51.9204 41.0832 175.3142 168 P 4.2922 0.0000 0.0000 65.3035 31.5056 177.5604 169 T 4.2173 7.9965 107.9847 62.6900 69.3782 175.6146 170 L 4.2909 7.8191 123.3035 54.5452 43.6933 177.4143 171 D 4.3787 8.7250 121.9678 57.4908 39.7963 179.4029 172 K 3.9931 7.9546 118.7317 59.2973 32.4094 179.1967 173 W 3.7512 7.7863 119.5814 59.4729 29.3911 178.4557 174 Q 4.1207 8.2671 118.2975 58.9960 28.1716 179.0723 175 S 4.1137 8.5000 115.6702 61.3183 62.8534 176.2643 176 E 3.8299 7.4565 123.2053 59.0692 29.3449 178.8270 177 F 4.5916 7.9714 117.8968 60.6927 38.9800 177.5319 178 E 3.9590 8.4635 118.2877 59.1991 29.2915 179.2343 179 K 3.9103 8.1473 119.5906 59.6019 32.2899 178.8002 180 I 3.8335 8.0612 120.2232 64.6903 36.8695 178.7652 181 R 4.0559 7.9407 117.5191 58.9353 29.8252 178.8717 182 R 3.9922 7.8582 118.1236 59.6414 30.1816 177.8049 183 H 4.5003 8.1026 114.7132 56.1151 28.9415 176.7537 184 G 4.4512 10.2797 107.8770 45.0812 0.0000 171.8226 185 Y 5.0922 7.0014 115.1954 56.0221 40.9775 173.3538 186 A 4.9354 9.2783 121.1403 50.1266 22.7235 175.2962 187 V 5.1118 8.4256 118.7669 61.1928 34.6163 174.8810 188 S 4.9752 9.3635 121.1812 56.8901 66.9953 172.8604 189 T 4.6390 7.8904 110.2491 60.6340 71.5912 173.9773 190 S 4.2277 9.0386 121.9978 59.5724 61.0571 173.2603 191 E 4.2051 7.7489 122.0425 58.2131 29.7019 177.3903 192 I 4.2774 7.8871 116.3165 62.2209 39.4351 175.2348 193 D 4.8932 7.6866 119.0594 51.3451 43.4872 173.7348 194 P 4.3859 0.0000 0.0000 64.2335 31.8700 176.8739 195 G 3.9598 9.4342 111.3180 45.1094 0.0000 172.5122 196 V 4.8477 7.6716 119.9275 61.1254 34.0933 174.7200 197 S 5.2634 9.3473 123.3872 56.7984 65.8511 173.6292 198 G 4.3043 9.0498 108.4195 44.5924 0.0000 171.9544 199 I 5.2779 8.6677 123.0293 59.5148 41.0013 174.7379 200 S 5.2284 9.2893 121.6335 57.0043 67.7731 172.9660 201 A 5.1287 8.9458 123.7178 49.4444 22.6398 173.8031 202 P 4.7038 0.0000 0.0000 62.6638 32.5542 175.7510 203 V 4.1560 8.5169 121.7889 61.0855 34.9985 174.9092 *205 K 4.1845 8.4338 123.7432 56.6648 32.8778 176.1127 206 G 3.7653 8.1313 118.8553 47.1663 0.0000 173.5191 207 S 4.4824 8.8394 119.3576 57.8385 63.3278 173.3278 208 K 4.3703 7.7393 123.4185 54.7286 32.9732 175.5560 209 L 4.1933 8.5394 128.8622 54.8813 42.4994 176.0331 210 I 4.3271 8.1529 119.4909 61.4150 39.8344 175.3841 211 G 3.9363 7.3777 104.8685 46.4773 0.0000 171.8699 212 A 5.1838 7.6352 119.7720 50.7145 23.0481 175.6813 213 I 4.7483 8.6421 121.3116 60.0059 39.7287 175.2414 214 S 5.0208 9.0621 121.2339 57.1411 67.7294 173.6888 215 V 4.2886 8.3884 122.8967 61.0321 34.8727 173.8972 *217 A 4.5423 8.3121 120.5909 50.8083 20.3293 174.9404 218 P 4.6017 0.0000 0.0000 62.6312 32.1162 177.3295 219 A 4.0031 8.9648 124.0867 55.7791 17.9005 179.4921 220 H 4.0247 8.2545 115.4655 59.5342 30.2680 176.9196 221 R 4.1830 7.8843 118.7754 58.4584 30.3826 178.8349 222 V 3.6259 7.9260 118.2389 65.9570 31.2812 177.8865 223 E 3.9939 8.2394 117.4820 58.8511 29.3994 177.8557 224 S 4.6362 7.5917 111.9865 58.8714 63.7509 174.3991 225 N 5.0420 8.1356 117.3427 52.0757 40.5189 176.4835 226 K 3.8590 8.3668 121.1087 59.8445 32.2304 178.2753 227 Q 3.8594 7.9650 119.3097 58.9181 29.0193 177.8163 228 R 3.7743 7.8839 119.2908 59.5071 30.0964 178.4199 229 I 3.6856 7.9177 119.6243 64.3522 37.0274 178.2335 230 I 3.3917 7.8189 120.9471 64.4843 36.8479 178.4137 231 L 3.8668 7.8927 119.5503 58.2386 41.3678 179.4648 232 H 4.4290 8.1508 116.0837 58.5877 28.5400 178.1747 233 V 3.5602 8.1039 120.6317 65.8766 31.3264 177.9456 234 L 3.9644 8.0346 119.0127 57.9349 41.3572 179.3145 235 Q 3.9133 8.3188 119.2382 59.0507 28.7584 178.1993 236 A 3.9589 8.1050 120.6334 55.2051 18.8044 179.1355 237 A 4.0727 8.1062 119.3190 55.3924 18.2548 179.8884 238 R 3.8753 8.0881 115.9525 59.1761 30.2088 178.0287 239 A 4.1738 7.5731 119.0914 53.3338 18.5355 177.2300 240 L 4.2097 7.5235 122.1172 54.6867 42.0023 176.2660 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 79 S 8.33 4.16 0.00 3.65 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 80 Y 7.88 4.90 0.00 3.15 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 81 E 8.34 4.02 0.00 1.98 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 2.23 1.88 0.00 82 T 7.88 4.50 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 1.22 0.00 0.00 83 S 8.02 4.51 0.00 4.07 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 84 Q 8.30 4.62 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 *85 H 8.88 4.17 0.00 2.97 2.99 0.00 7.21 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 86 N 7.77 5.07 0.00 2.76 2.97 0.00 0.00 5.87 6.67 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 87 L 7.75 3.85 0.00 1.91 1.73 1.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.13 4.34 0.00 2.70 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.83 3.92 1.24 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 90 V 7.82 3.30 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 0.77 0.00 0.00 0.23 0.00 0.00 91 E 8.62 3.91 0.00 2.12 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 2.34 2.49 0.00 92 A 7.92 3.94 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 93 V 7.81 3.51 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.93 0.00 0.00 94 L 8.18 4.00 0.00 1.72 1.70 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.25 4.05 0.00 3.92 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 7.91 3.83 0.00 1.91 2.01 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.00 97 L 7.95 4.12 0.00 1.87 1.80 0.94 0.28 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 98 Q 8.12 4.20 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 99 K 7.82 4.04 0.00 1.89 1.84 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.61 7.81 100 Q 8.04 4.15 0.00 2.03 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.59 0.00 0.00 0.00 0.00 0.00 2.20 2.39 0.00 101 T 7.75 4.52 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 102 G 8.40 4.06 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 0.00 0.00 0.00 103 E 7.42 4.54 0.00 1.89 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 2.42 2.36 0.00 *105 A 8.60 4.37 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 9.04 5.12 1.14 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 0.00 107 Y 8.82 5.45 0.00 2.97 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 *109 V 8.05 3.99 1.93 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 0.32 0.00 0.00 0.74 0.00 0.00 110 P 0.00 4.73 0.00 2.16 2.04 0.00 3.72 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 111 V 8.69 4.15 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 1.01 0.00 0.00 0.87 0.00 0.00 112 G 8.17 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 8.42 4.81 0.00 3.01 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 0.00 114 R 8.35 5.41 0.00 1.79 1.98 0.00 3.23 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 115 A 9.24 5.05 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 0.00 116 L 8.74 4.68 0.00 1.58 1.59 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 117 C 8.95 4.30 0.00 3.21 3.20 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 0.00 118 V 8.59 3.66 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 0.77 0.00 0.00 0.55 0.00 0.00 119 S 7.77 4.99 0.00 4.01 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 8.76 4.94 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.43 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 121 R 8.84 4.40 0.00 1.74 2.11 0.00 3.47 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 122 E 8.50 4.00 0.00 2.28 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 2.17 2.30 0.00 123 S 8.22 4.42 0.00 3.88 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 *125 Q 7.99 4.43 0.00 2.10 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.30 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 126 A 8.37 4.72 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 0.00 127 L 7.97 4.23 0.00 1.65 1.62 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.34 4.55 0.00 1.81 1.83 0.00 3.26 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 129 C 7.69 4.57 0.00 3.46 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 0.00 130 S 9.06 4.02 0.00 3.49 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.36 4.52 0.00 3.30 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.21 4.45 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 1.05 0.00 0.00 0.96 0.00 0.00 133 Q 9.03 4.34 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.46 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 134 G 9.60 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 0.00 0.00 0.00 0.00 135 Q 8.17 4.99 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 136 S 8.63 5.41 0.00 3.95 3.84 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 0.00 137 Q 8.72 4.77 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 2.09 1.89 0.00 138 P 0.00 4.70 0.00 1.55 1.60 0.00 3.60 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.15 0.00 139 L 8.93 4.27 0.00 1.93 1.87 0.99 1.17 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 0.00 140 L 8.15 4.70 0.00 0.98 1.21 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 141 R 7.95 4.62 0.00 1.83 1.85 0.00 3.44 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 142 G 9.65 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 0.00 0.00 0.00 0.00 143 A 8.71 4.09 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 0.00 144 S 7.96 4.06 0.00 3.85 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 0.00 145 S 8.15 4.37 0.00 4.24 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 0.00 146 K 8.39 4.48 0.00 1.99 2.12 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.84 1.80 7.81 147 V 7.96 3.75 2.36 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 1.08 0.00 0.00 1.12 0.00 0.00 *149 L 7.83 4.10 0.00 1.79 1.50 1.11 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 150 A 7.96 3.36 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 0.00 151 Y 7.62 4.34 0.00 3.22 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 *153 P 0.00 4.32 0.00 2.15 1.98 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.14 0.00 154 A 8.53 3.91 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 0.00 155 A 7.97 3.92 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 0.00 156 R 7.82 3.74 0.00 1.86 2.07 0.00 3.17 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 157 C 8.01 3.95 0.00 2.97 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 0.00 158 E 8.51 3.94 0.00 2.17 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 2.34 2.51 0.00 159 K 7.99 3.99 0.00 2.04 1.93 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.67 7.81 160 I 7.77 3.89 2.10 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.23 1.23 0.00 0.00 161 L 8.03 4.02 0.00 1.53 1.41 0.17 0.12 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 0.00 162 R 8.32 4.02 0.00 1.88 1.97 0.00 3.14 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 163 Y 7.66 3.95 0.00 2.42 2.38 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 0.00 164 F 7.42 4.46 0.00 3.04 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 0.00 165 G 7.71 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 0.00 0.00 0.00 166 E 8.11 4.50 0.00 1.94 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 2.41 2.51 0.00 167 D 8.43 4.73 0.00 2.71 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 P 0.00 4.29 0.00 2.25 2.10 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 169 T 8.00 4.22 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 1.24 0.00 0.00 170 L 7.82 4.29 0.00 1.91 1.67 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 171 D 8.73 4.38 0.00 2.74 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 0.00 172 K 7.95 3.99 0.00 1.68 1.91 0.00 1.27 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 0.93 7.81 173 W 7.79 3.75 0.00 3.47 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 0.00 174 Q 8.27 4.12 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.74 2.59 0.00 175 S 8.50 4.11 0.00 3.94 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 0.00 176 E 7.46 3.83 0.00 2.13 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.41 0.00 177 F 7.97 4.59 0.00 3.15 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 0.00 178 E 8.46 3.96 0.00 2.17 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 2.35 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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 0.97 0.00 0.00 1.16 0.00 0.00 188 S 9.36 4.98 0.00 3.97 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 0.00 189 T 7.89 4.64 4.25 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 1.22 0.00 0.00 190 S 9.04 4.23 0.00 4.03 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 0.00 191 E 7.75 4.21 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 192 I 7.89 4.28 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.64 0.71 0.00 0.00 193 D 7.69 4.89 0.00 2.69 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 0.00 194 P 0.00 4.39 0.00 2.04 2.00 0.00 3.70 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 2.03 2.09 0.00 195 G 9.43 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 1.06 0.00 0.00 1.07 0.00 0.00 *205 K 8.43 4.18 0.00 1.86 1.77 0.00 1.92 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.45 7.81 206 G 8.13 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 S 8.84 4.48 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 K 7.74 4.37 0.00 1.76 1.91 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.36 7.81 209 L 8.54 4.19 0.00 1.69 1.59 0.96 1.03 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 0.00 210 I 8.15 4.33 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.92 0.93 0.00 0.00 211 G 7.38 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 A 7.64 5.18 1.18 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 0.00 213 I 8.64 4.75 1.90 0.00 0.00 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 1.35 0.94 0.92 0.00 0.00 214 S 9.06 5.02 0.00 3.52 3.52 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 0.00 215 V 8.39 4.29 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 0.94 0.00 0.00 0.91 0.00 0.00 *217 A 8.31 4.54 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 P 0.00 4.60 0.00 2.27 2.23 0.00 3.89 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 219 A 8.96 4.00 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 0.00 220 H 8.25 4.02 0.00 3.13 3.39 0.00 5.92 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 R 7.88 4.18 0.00 1.91 1.95 0.00 3.20 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 222 V 7.93 3.63 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 1.03 0.00 0.00 1.00 0.00 0.00 223 E 8.24 3.99 0.00 2.01 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 2.34 2.41 0.00 224 S 7.59 4.64 0.00 3.96 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 0.00 225 N 8.14 5.04 0.00 2.79 2.71 0.00 0.00 6.51 7.53 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 0.00 226 K 8.37 3.86 0.00 1.95 1.79 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.49 7.81 227 Q 7.96 3.86 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 228 R 7.88 3.77 0.00 1.89 2.09 0.00 3.24 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 229 I 7.92 3.69 1.95 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 1.52 0.66 0.88 0.00 0.00 230 I 7.82 3.39 1.73 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 1.01 0.59 0.00 0.00 0.00 231 L 7.89 3.87 0.00 1.52 1.60 0.85 1.26 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 0.00 232 H 8.15 4.43 0.00 3.16 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 V 8.10 3.56 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 1.06 0.00 0.00 0.92 0.00 0.00 234 L 8.03 3.96 0.00 1.84 1.71 0.88 1.41 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 0.00 235 Q 8.32 3.91 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 236 A 8.11 3.96 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 0.00 237 A 8.11 4.07 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 0.00 238 R 8.09 3.88 0.00 1.89 1.97 0.00 3.27 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 239 A 7.57 4.17 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 0.00 240 L 7.52 4.21 0.00 1.75 1.48 0.72 0.75 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 * Residues marked with a * may have inaccurate shift predictions.