NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.3502 0.0000 0.0000 62.6286 32.4979 175.0411 9 H 4.6516 7.8607 117.6986 55.1588 32.7980 173.3208 10 D 4.3430 9.1305 122.4446 57.2597 41.8963 176.0477 11 I 4.5179 7.3790 117.1077 59.3405 41.7918 173.4346 12 V 4.3913 7.7334 128.1087 60.9978 34.4527 174.1073 13 F 4.7450 8.8403 126.6087 56.0299 40.4365 174.5536 14 L 5.2019 8.6269 124.9892 53.1235 43.4101 176.3967 15 F 5.0144 9.1398 121.6957 55.5605 42.5441 174.4612 16 D 4.9721 8.9806 122.9797 54.2735 41.9064 175.2392 17 C 4.4664 8.7372 121.2150 61.2485 32.6813 173.2910 18 D 4.7782 7.9699 119.6283 55.2760 40.8592 176.3738 19 N 4.8318 9.1505 119.5106 53.6438 36.8696 174.1796 20 T 4.5797 7.6441 110.6686 64.9279 71.0672 175.5765 21 L 4.5332 8.4334 120.5408 56.0158 42.7384 176.8950 22 L 4.7313 7.5073 118.5938 52.1996 45.1283 174.8813 23 D 4.6153 8.0839 124.8317 53.7516 40.3069 176.2603 24 N 4.5837 9.0348 125.0114 55.6862 38.9235 176.1532 25 D 4.3429 8.4939 120.3177 57.6437 40.9996 177.8568 26 H 4.0825 8.2617 118.5806 59.2213 29.7471 177.1732 27 V 3.2783 7.4487 118.5518 66.1251 31.3067 178.0345 28 L 3.9026 8.0844 118.2822 57.6847 41.5097 179.2503 29 A 3.9022 8.2081 121.0410 55.2711 18.2092 179.5305 30 D 4.3313 8.2304 117.2751 57.3505 40.7698 178.3824 31 L 3.4500 7.9906 119.8279 58.3637 42.1679 178.7765 32 R 4.2365 8.1930 116.7603 59.4230 30.0827 178.6839 33 A 4.1354 7.5705 119.0914 54.5729 19.8370 178.6615 34 H 4.0501 7.7565 118.3179 56.5803 25.9664 175.3553 *37 R 4.1153 7.7566 122.3284 55.6084 32.3471 176.9921 38 E 3.8683 7.6398 115.7653 57.7024 29.6219 177.3114 39 F 4.8990 7.4959 113.8036 56.5106 40.9205 176.2011 40 G 3.9630 8.3183 108.5395 45.3189 0.0000 173.9682 41 A 4.0636 9.0510 127.4934 56.0251 18.4721 180.7722 42 Q 4.0297 8.0859 118.0113 60.5872 28.2704 180.5935 43 N 4.7576 8.1847 118.3085 56.3507 38.7541 177.6973 44 S 4.1534 8.4739 116.4471 61.3346 62.9753 176.3275 45 A 4.2249 8.6220 124.0629 55.4245 18.2023 179.7483 46 R 3.9454 8.1018 116.6476 59.7840 30.2986 178.0163 47 Y 4.0938 7.9626 118.9331 60.5809 38.1488 178.2584 48 W 4.2655 8.0204 119.4118 59.4665 29.0233 178.3237 49 E 4.1051 8.4686 118.7737 59.5154 28.9909 179.5510 50 I 3.7052 7.6515 119.3561 64.3516 37.3199 178.1508 51 F 4.0148 8.1701 121.1232 60.2053 39.0088 175.7988 52 E 4.5061 7.9428 117.2384 58.4729 30.3676 177.5948 53 T 3.9287 7.7698 118.5219 67.2332 68.4785 177.1691 54 L 3.8689 7.7605 123.9405 59.4184 40.7381 180.9758 55 R 4.2786 7.5475 122.5178 59.4559 29.9571 178.9251 56 T 4.0201 7.5638 113.6197 66.3858 68.5526 178.5181 57 E 4.2697 8.1682 121.4056 57.9818 29.8315 177.7557 58 L 3.8744 7.7182 118.4440 55.3252 41.0251 177.0145 *60 Y 4.4724 7.7310 118.5266 56.4868 39.9741 174.9615 61 A 3.9658 8.9185 123.1457 52.8518 19.0812 177.9590 62 D 4.9015 7.4560 127.3588 54.0203 41.6869 177.3388 *63 Y 4.9855 8.0988 125.7362 62.1141 37.1697 179.7904 64 L 4.4645 8.1925 121.7280 58.1580 42.3726 179.1738 65 G 3.5706 7.8488 105.0233 47.6148 0.0000 175.4535 66 A 3.9144 7.9673 122.8655 54.8777 18.3042 179.7873 67 L 4.1571 8.0758 117.3843 58.2553 41.4452 179.6849 68 Q 4.0657 8.3357 118.0706 59.1101 28.6818 179.0395 69 R 3.9541 8.4875 120.0527 59.2445 30.0390 177.6853 70 Y 4.0129 8.5291 120.0205 60.6893 38.3155 178.2126 71 R 3.8872 8.2961 119.5239 59.3736 29.9925 178.0434 72 L 3.9137 7.3507 118.5313 58.2442 42.0594 178.4079 73 E 4.0963 7.7173 117.5653 58.0064 31.3207 177.0029 74 Q 4.4276 7.7811 118.3403 53.1995 28.8816 174.0673 75 P 4.5330 0.0000 0.0000 64.0258 32.2489 178.7797 76 R 3.9795 7.8337 118.8739 58.9213 30.6068 176.3491 77 D 4.7260 7.7811 119.4296 53.2484 39.7896 176.7596 78 T 3.7496 7.6718 119.5854 66.2769 69.7376 177.3172 79 R 3.8309 7.7806 121.2984 59.2800 29.8428 178.2657 80 L 2.4414 7.4661 118.3350 57.2901 41.9229 178.6194 81 L 4.0294 7.3726 117.7650 56.3123 43.0328 178.2651 82 L 4.2981 7.6881 121.0974 54.4000 39.4526 177.2711 *84 S 4.7130 7.9320 117.8410 58.3990 65.2929 176.7617 85 S 4.4823 8.5365 115.0246 60.9266 62.7537 176.2306 86 F 4.2016 8.2502 124.2932 61.1599 39.3258 177.0144 87 L 4.1087 8.0042 118.0603 58.0842 41.3877 179.1163 88 I 3.9571 8.1672 118.6863 64.1310 37.1733 177.1314 89 D 4.7721 7.3309 114.4750 53.0106 41.7292 176.0977 90 Y 3.4781 6.9723 121.8333 56.7299 39.3813 175.2003 91 P 4.4069 0.0000 0.0000 61.8043 29.9401 176.6430 92 F 4.4465 8.0645 125.3755 61.1345 39.9839 177.7458 93 A 4.2465 8.2315 123.3766 55.2709 18.3136 179.4726 94 S 4.3004 7.7615 110.7296 60.8526 63.0439 175.3608 95 R 4.2420 7.8910 118.5424 56.3514 30.6695 176.3815 96 V 3.9669 7.1180 117.5847 63.2081 31.8551 175.5982 97 Y 4.4769 8.6781 125.6090 57.3617 39.1069 173.8943 98 P 4.2583 0.0000 0.0000 64.3230 31.7130 177.0399 99 G 3.9550 9.3080 112.2539 45.8045 0.0000 175.3044 100 A 3.9955 8.2009 121.9748 55.3021 18.2766 179.7171 101 L 3.9201 7.8393 117.0825 57.6718 41.7392 179.0736 102 N 4.2353 8.1160 116.4188 56.5851 38.9244 176.4942 103 A 3.9919 8.3348 122.5528 55.3195 18.4973 179.6302 104 L 3.6584 7.7786 117.3465 57.7247 41.3787 180.0290 105 R 3.8420 7.9204 117.2463 59.4545 30.2164 178.0831 106 H 4.2485 8.6804 118.1628 59.6624 29.9060 177.3234 107 L 3.7254 8.2166 120.7772 57.1778 41.0619 179.6193 108 G 3.8512 7.8942 104.7409 46.6023 0.0000 175.0627 109 A 4.2179 7.5896 121.6703 53.8403 18.6308 178.1359 110 R 4.4205 7.5810 114.7436 56.0865 31.7043 176.2221 111 G 4.1976 7.4260 104.0448 44.8785 0.0000 170.8960 112 P 4.6965 0.0000 0.0000 62.9195 32.4844 175.4149 113 T 5.2398 8.4322 113.9091 60.2367 70.7940 174.0719 114 V 4.4235 8.7407 124.1353 61.2001 35.4464 173.7715 115 I 4.7079 8.6543 128.9129 59.9894 38.6290 174.3761 116 L 5.0184 9.3245 129.8402 53.3708 44.3182 174.9194 117 S 4.7108 8.7219 120.9506 56.4160 66.0664 172.8409 118 D 4.7929 8.6804 125.4016 53.5212 41.5800 175.8661 119 G 3.9529 7.1465 110.2717 46.3776 0.0000 171.9164 120 D 4.9693 8.5538 120.2799 52.3451 41.2277 176.4839 121 V 3.9420 8.1954 110.5872 62.3512 31.6675 176.6525 122 V 4.0198 7.4786 117.8364 64.6373 33.3656 177.5839 123 F 4.4380 8.5962 118.1088 60.5729 38.8670 177.6797 124 Q 3.9697 8.7291 119.2788 58.7971 28.8002 176.5363 125 P 4.4523 0.0000 0.0000 65.8059 31.3905 178.3870 126 R 3.8304 7.6704 116.7546 59.2599 29.7814 178.4490 127 K 3.0675 8.1189 119.4516 59.3998 32.2046 178.9132 128 I 3.7083 7.9570 119.9958 64.2247 36.8564 178.4637 129 A 3.9919 8.4620 121.9874 55.3492 18.0892 179.8620 130 R 4.0970 8.1632 115.0872 58.4923 30.3133 178.8934 131 S 4.5259 8.2168 113.7723 59.6760 63.5351 175.4150 132 G 4.0447 8.1374 111.2192 45.5938 0.0000 175.3955 133 L 4.0191 8.1426 120.3839 57.2969 41.4523 178.6970 134 W 4.1259 8.4187 128.5183 60.7370 30.5976 177.4223 135 D 4.6375 8.2293 117.3646 56.2739 40.5176 178.1171 136 E 4.0094 8.0033 119.1937 58.7716 29.6687 178.2069 137 V 4.1355 7.6767 110.7178 60.0425 31.9539 175.8369 138 E 3.8859 9.0151 116.4395 57.6020 27.4393 175.8676 139 G 3.6859 8.4441 104.0640 46.0521 0.0000 176.0050 140 R 4.5679 7.5940 121.1533 54.2058 28.7003 174.0226 141 V 4.5704 7.3846 119.2909 60.6459 34.7811 174.0218 142 L 4.6150 8.8231 127.5104 52.8144 44.9517 175.4931 143 I 4.7477 7.8077 123.3249 59.7780 39.9846 174.2102 144 Y 4.8422 8.6450 124.0611 56.0592 41.7061 177.4586 145 I 3.7936 8.6895 120.7018 64.4429 37.4919 176.7832 146 H 4.9479 7.8990 120.0625 53.1984 30.0950 173.6888 147 K 3.7776 9.5737 125.3722 59.7197 32.3401 178.6815 148 E 3.9035 8.0201 114.6415 57.3448 29.9405 176.6700 149 L 4.3931 7.3638 121.1181 54.4535 41.4886 177.2711 *151 L 4.2732 7.7213 119.4491 54.8768 44.0048 179.5692 152 D 4.6141 8.2681 117.4325 57.4777 41.2662 177.6033 153 Q 4.1005 8.0707 119.6373 58.9906 29.5802 178.3442 154 V 3.7542 7.3780 116.4539 63.4395 31.0770 177.1265 *156 E 4.3566 8.1450 117.0840 55.7885 31.3127 176.7081 157 C 4.0292 7.9731 116.8953 62.3122 28.6511 173.7618 158 Y 4.9260 7.8389 116.3222 55.3600 37.9163 172.2225 159 P 4.6840 0.0000 0.0000 62.4794 33.0600 176.5346 160 A 4.8349 7.9554 122.4287 50.8223 21.4290 176.5018 161 R 3.9892 8.8994 119.8596 59.0141 30.9422 176.7679 162 H 5.0125 7.7750 116.1555 54.6702 33.7819 171.9490 163 Y 4.9569 8.5351 120.0262 56.3772 42.2195 175.0982 164 V 5.0999 7.9775 121.6548 60.1467 35.6332 173.5994 *166 V 4.3883 8.1121 118.9283 63.1452 32.5450 174.4523 167 D 5.0809 8.5442 126.1664 53.4472 44.1340 175.0064 168 D 4.7289 8.6374 124.1326 54.3428 40.4207 176.4544 169 K 4.4333 8.6069 121.5521 54.8986 32.0486 176.9878 170 L 3.8044 8.4558 126.2341 57.5628 41.4075 179.5599 171 R 3.3695 7.5528 118.3973 59.3358 29.6843 178.7251 172 I 3.6067 7.1783 117.7365 64.2646 37.2294 178.0372 173 L 4.0264 7.7165 117.7002 57.7635 41.8150 178.8809 174 A 4.1246 8.2995 120.7879 55.0243 18.2810 179.9079 175 A 3.7137 7.6725 115.5071 52.9224 17.9953 179.0873 *177 K 4.1598 7.9727 123.5104 57.6897 33.9539 177.9944 178 K 3.8863 7.9072 118.4987 59.2259 32.4175 177.8589 179 A 4.1505 7.8107 120.7523 54.3857 18.4933 178.1693 180 W 4.8962 8.1243 114.3405 56.1105 31.9543 177.4902 181 G 4.0979 8.1686 107.1177 46.2852 0.0000 177.6185 182 A 4.1369 8.8249 127.8334 54.5267 18.3916 179.1056 183 R 4.2200 7.8450 112.9348 57.6042 30.2331 175.7449 184 L 5.2738 7.7223 119.8724 53.4609 45.3528 175.4735 185 T 5.0352 9.1080 122.5617 62.1255 71.0607 173.2231 186 T 4.6997 9.4190 117.6976 60.0415 71.3585 173.7179 187 V 4.8609 8.4149 124.6372 61.0919 34.8141 173.5387 188 F 5.3791 9.5262 131.7569 56.0916 40.8593 172.3124 189 P 5.2928 0.0000 0.0000 60.8562 32.4446 177.2849 190 R 3.7037 7.7760 124.2971 54.8243 27.6482 175.6014 191 Q 4.5592 7.2882 118.2275 54.8856 33.1789 177.3857 192 G 4.0933 8.8588 109.4150 43.2464 0.0000 172.2592 193 H 4.9239 8.6758 111.5928 56.4225 29.6762 176.5595 194 Y 4.1712 7.7466 116.9722 60.5233 38.0400 176.7769 195 A 4.4427 8.3962 122.0035 54.4625 18.5140 177.8922 196 F 4.7610 7.8607 113.5031 57.7733 40.0922 175.8595 197 D 4.6841 8.0446 121.9717 52.2504 40.2535 180.2641 198 P 4.5471 0.0000 0.0000 65.0501 31.6474 179.5508 199 K 3.9915 8.0279 123.6149 60.0263 30.6016 182.7544 200 E 4.1980 8.4999 121.3801 60.4477 29.2219 180.1930 201 I 3.8427 7.7560 117.1721 62.2390 35.6911 179.0149 202 S 4.6926 7.7369 111.1925 58.3774 63.9753 174.7582 203 S 4.5995 7.8240 114.0080 58.2028 63.3486 173.3652 204 H 4.9568 7.3786 117.6679 53.0367 32.2901 171.4427 205 P 4.4269 0.0000 0.0000 62.0353 31.7043 174.3673 206 P 4.3717 0.0000 0.0000 62.0070 32.1959 176.1250 207 A 4.2446 8.1267 122.4110 52.0599 19.1988 177.4985 208 D 4.6471 8.8512 120.7856 57.1618 41.3426 177.5000 209 V 4.5424 8.2982 117.8043 61.2534 34.7471 173.9373 210 T 5.2506 8.6495 123.3558 61.9346 70.8418 173.9672 211 V 4.4100 8.2328 119.0148 59.2844 34.3695 176.7583 212 E 3.9210 9.0844 125.3886 58.7088 30.1193 177.1229 213 R 4.5993 7.8874 116.0679 53.1161 34.3389 175.9066 214 I 3.8492 8.3306 120.3761 64.0896 37.4940 178.3951 215 G 3.7796 8.0073 105.2964 46.6818 0.0000 174.8169 216 D 4.2362 8.0796 121.0305 56.5559 40.5635 178.3177 217 L 4.2665 7.6423 119.0494 57.5914 41.6764 179.3410 218 V 3.7682 7.2699 111.2173 63.2536 32.4477 176.4253 219 E 4.2692 7.6842 119.8292 55.6321 28.8829 176.2972 *221 D 4.6235 7.8479 120.3515 54.2808 43.2228 178.4183 222 A 3.9457 7.7983 121.2729 55.2499 18.3531 179.0700 223 E 3.8879 7.2615 113.3855 58.2696 29.6851 177.9944 224 W 4.8129 7.2196 117.7553 57.2306 29.6110 176.0161 225 L 3.6478 7.3051 116.6523 55.7320 38.8948 174.3318 226 L 4.6284 7.7844 116.0977 53.0063 43.8556 177.1098 227 A 4.1864 8.4330 122.9630 52.6148 18.3886 177.6127 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 8 P 0.00 4.35 0.00 1.97 1.90 0.00 3.59 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.05 0.00 9 H 7.86 4.65 0.00 3.04 3.01 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 9.13 4.34 0.00 2.57 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.38 4.52 1.66 0.00 0.00 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 0.22 1.05 0.40 0.00 0.00 12 V 7.73 4.39 1.90 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 0.97 0.00 0.00 0.82 0.00 0.00 13 F 8.84 4.75 0.00 3.07 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 14 L 8.63 5.20 0.00 1.51 1.58 1.08 0.88 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 15 F 9.14 5.01 0.00 2.92 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 16 D 8.98 4.97 0.00 2.87 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 17 C 8.74 4.47 0.00 3.00 2.89 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 18 D 7.97 4.78 0.00 2.87 2.73 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 0.00 0.00 0.00 19 N 9.15 4.83 0.00 3.21 3.15 0.00 0.00 6.80 8.18 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 20 T 7.64 4.58 4.55 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 1.44 0.00 0.00 21 L 8.43 4.53 0.00 1.91 1.73 0.82 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.51 4.73 0.00 1.56 1.42 0.92 1.20 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 23 D 8.08 4.62 0.00 2.27 2.37 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 24 N 9.03 4.58 0.00 3.01 2.92 0.00 0.00 7.08 7.78 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 25 D 8.49 4.34 0.00 2.94 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 26 H 8.26 4.08 0.00 3.38 3.47 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.45 3.28 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 0.65 0.00 0.00 0.96 0.00 0.00 28 L 8.08 3.90 0.00 1.75 1.45 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.21 3.90 1.21 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 0.00 0.00 30 D 8.23 4.33 0.00 3.18 3.27 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 31 L 7.99 3.45 0.00 1.81 1.96 0.97 1.46 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 32 R 8.19 4.24 0.00 1.53 1.77 0.00 2.36 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.17 0.00 33 A 7.57 4.14 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 34 H 7.76 4.05 0.00 2.51 2.52 0.00 5.81 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *37 R 7.76 4.12 0.00 1.82 1.84 0.00 3.18 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.71 0.00 38 E 7.64 3.87 0.00 1.16 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 1.68 1.70 0.00 39 F 7.50 4.90 0.00 2.95 2.90 0.00 0.00 0.00 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1.71 1.53 1.15 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.72 4.71 0.00 3.86 3.54 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 0.00 118 D 8.68 4.79 0.00 2.22 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 0.00 119 G 7.15 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 0.00 0.00 0.00 120 D 8.55 4.97 0.00 2.90 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 0.00 121 V 8.20 3.94 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 0.71 0.00 0.00 0.91 0.00 0.00 122 V 7.48 4.02 1.37 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 0.57 0.00 0.00 0.73 0.00 0.00 123 F 8.60 4.44 0.00 3.39 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 0.00 124 Q 8.73 3.97 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 125 P 0.00 4.45 0.00 2.21 2.25 0.00 3.70 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 126 R 7.67 3.83 0.00 1.98 2.27 0.00 3.16 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 127 K 8.12 3.07 0.00 1.36 1.72 0.00 1.53 0.00 0.00 1.48 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.88 0.21 7.81 128 I 7.96 3.71 2.15 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.64 1.08 0.00 0.00 129 A 8.46 3.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.16 4.10 0.00 2.11 2.16 0.00 3.20 0.00 0.00 3.31 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 131 S 8.22 4.53 0.00 4.08 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 0.00 132 G 8.14 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 0.00 133 L 8.14 4.02 0.00 1.75 1.71 0.92 0.61 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 0.00 134 W 8.42 4.13 0.00 3.61 3.03 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 0.00 135 D 8.23 4.64 0.00 2.81 2.77 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 0.00 136 E 8.00 4.01 0.00 2.05 2.15 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 2.26 2.32 0.00 137 V 7.68 4.14 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 0.65 0.00 0.00 0.89 0.00 0.00 138 E 9.02 3.89 0.00 2.11 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 2.28 2.24 0.00 139 G 8.44 3.69 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 0.00 0.00 0.00 140 R 7.59 4.57 0.00 1.85 1.59 0.00 3.02 0.00 0.00 3.27 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.52 0.00 141 V 7.38 4.57 0.93 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 0.38 0.00 0.00 -0.14 0.00 0.00 142 L 8.82 4.61 0.00 1.59 1.15 1.20 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.81 4.75 1.74 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 1.24 0.46 0.81 0.00 0.00 144 Y 8.65 4.84 0.00 2.89 2.77 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 0.00 145 I 8.69 3.79 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.58 1.05 0.00 0.00 146 H 7.90 4.95 0.00 3.21 3.17 0.00 5.83 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 9.57 3.78 0.00 1.87 2.13 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.34 7.81 148 E 8.02 3.90 0.00 1.90 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 2.16 2.16 0.00 149 L 7.36 4.39 0.00 1.77 1.61 0.82 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 *151 L 7.72 4.27 0.00 1.52 1.44 0.27 0.25 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 0.00 152 D 8.27 4.61 0.00 2.66 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 0.00 153 Q 8.07 4.10 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.15 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 154 V 7.38 3.75 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 1.18 0.00 0.00 1.06 0.00 0.00 *156 E 8.14 4.36 0.00 2.13 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 2.39 2.32 0.00 157 C 7.97 4.03 0.00 2.93 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 0.00 0.00 0.00 158 Y 7.84 4.93 0.00 3.17 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 0.00 159 P 0.00 4.68 0.00 2.08 2.17 0.00 3.93 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 2.06 1.80 0.00 160 A 7.96 4.83 0.41 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 0.00 161 R 8.90 3.99 0.00 1.99 1.93 0.00 3.24 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.45 0.00 162 H 7.78 5.01 0.00 3.15 2.95 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 Y 8.54 4.96 0.00 2.85 2.79 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 0.00 164 V 7.98 5.10 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 1.18 0.00 0.00 0.63 0.00 0.00 *166 V 8.11 4.39 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 0.98 0.00 0.00 0.67 0.00 0.00 167 D 8.54 5.08 0.00 2.67 2.49 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 0.00 168 D 8.64 4.73 0.00 3.16 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 0.00 169 K 8.61 4.43 0.00 1.85 1.61 0.00 1.44 0.00 0.00 1.10 0.00 0.00 2.73 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.72 1.11 7.81 170 L 8.46 3.80 0.00 1.60 1.50 0.41 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 171 R 7.55 3.37 0.00 1.77 1.75 0.00 3.06 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 172 I 7.18 3.61 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.54 0.85 0.00 0.00 173 L 7.72 4.03 0.00 1.53 1.69 1.07 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 174 A 8.30 4.12 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 0.00 175 A 7.67 3.71 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 *177 K 7.97 4.16 0.00 2.01 1.97 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.51 7.81 178 K 7.91 3.89 0.00 1.84 1.94 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.37 7.81 179 A 7.81 4.15 1.03 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 0.00 0.00 0.00 180 W 8.12 4.90 0.00 3.31 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 0.00 181 G 8.17 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 0.00 0.00 0.00 182 A 8.82 4.14 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 0.00 183 R 7.85 4.22 0.00 2.19 1.97 0.00 3.04 0.00 0.00 3.07 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 184 L 7.72 5.27 0.00 1.87 1.65 1.17 1.18 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 0.00 185 T 9.11 5.04 4.48 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 1.46 0.00 0.00 186 T 9.42 4.70 4.27 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 1.28 0.00 0.00 187 V 8.41 4.86 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 1.09 0.00 0.00 1.13 0.00 0.00 188 F 9.53 5.38 0.00 3.02 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 0.00 189 P 0.00 5.29 0.00 1.95 1.96 0.00 3.54 0.00 0.00 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.84 0.00 190 R 7.78 3.70 0.00 1.56 1.67 0.00 3.00 0.00 0.00 3.23 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.32 0.00 191 Q 7.29 4.56 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.72 0.00 0.00 0.00 0.00 0.00 1.94 2.09 0.00 192 G 8.86 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 0.00 0.00 0.00 193 H 8.68 4.92 0.00 3.29 3.50 0.00 5.46 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 0.00 194 Y 7.75 4.17 0.00 3.08 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 0.00 195 A 8.40 4.44 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 0.00 196 F 7.86 4.76 0.00 3.06 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 0.00 197 D 8.04 4.68 0.00 2.60 2.55 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 0.00 198 P 0.00 4.55 0.00 2.28 2.37 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 199 K 8.03 3.99 0.00 1.78 1.85 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.10 7.81 200 E 8.50 4.20 0.00 2.17 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 2.48 2.50 0.00 201 I 7.76 3.84 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.62 0.91 0.00 0.00 202 S 7.74 4.69 0.00 3.87 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 S 7.82 4.60 0.00 3.86 3.91 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 0.00 204 H 7.38 4.96 0.00 3.16 3.12 0.00 5.86 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 P 0.00 4.43 0.00 2.16 2.05 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 206 P 0.00 4.37 0.00 2.20 2.07 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 207 A 8.13 4.24 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 0.00 208 D 8.85 4.65 0.00 2.81 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 0.00 209 V 8.30 4.54 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 1.08 0.00 0.00 210 T 8.65 5.25 4.31 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 1.31 0.00 0.00 211 V 8.23 4.41 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.96 0.00 0.00 212 E 9.08 3.92 0.00 1.89 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 0.00 2.29 2.39 0.00 213 R 7.89 4.60 0.00 1.76 1.67 0.00 3.17 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 214 I 8.33 3.85 1.84 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.29 0.91 0.00 0.00 215 G 8.01 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 D 8.08 4.24 0.00 2.89 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 L 7.64 4.27 0.00 1.72 1.98 1.11 1.63 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 0.00 218 V 7.27 3.77 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 0.76 0.00 0.00 0.96 0.00 0.00 219 E 7.68 4.27 0.00 2.07 1.91 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 2.31 2.41 0.00 *221 D 7.85 4.62 0.00 2.74 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 0.00 222 A 7.80 3.95 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 0.00 223 E 7.26 3.89 0.00 1.16 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 2.09 2.21 0.00 224 W 7.22 4.81 0.00 3.42 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 0.00 225 L 7.31 3.65 0.00 1.83 1.75 0.90 0.90 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 0.00 226 L 7.78 4.63 0.00 1.72 1.65 1.10 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 227 A 8.43 4.19 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 * Residues marked with a * may have inaccurate shift predictions.