NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2687 8.3449 119.6792 55.1879 30.9409 174.7815 4 I 4.3605 7.6105 118.2438 58.9808 40.4863 172.4984 5 I 4.2630 9.0726 129.6490 59.2560 39.9979 174.9066 6 I 4.4853 8.3426 127.9749 59.5105 39.5099 174.5542 7 A 4.9631 9.0139 130.9296 50.7954 20.5132 175.6106 8 I 4.7813 9.0091 124.5420 59.7700 39.7583 175.6521 9 G 4.7755 8.8969 114.3603 44.7042 0.0000 172.0348 10 R 4.0947 8.0211 112.9985 54.9638 31.7637 174.2629 11 E 4.8202 7.9253 121.2352 55.9056 31.0069 176.3239 12 F 4.3697 9.8412 126.8243 59.7934 39.8925 175.5993 13 G 3.6895 8.3719 115.8796 45.3081 0.0000 174.6318 14 S 4.0785 7.5640 113.5841 59.3556 63.6155 175.3906 15 G 3.9002 8.2189 109.9293 45.4545 0.0000 175.2925 16 G 3.5292 7.7679 107.2443 47.8028 0.0000 175.7503 17 H 4.1369 8.1400 120.0748 59.0931 29.9724 177.2178 18 L 3.9223 7.8235 120.2828 57.5774 41.4514 179.4581 19 V 3.5025 7.8830 117.9500 65.9598 31.5015 177.6301 20 A 3.9749 8.0975 120.7185 55.3006 18.0547 179.6339 21 K 3.8500 8.0418 117.7182 59.6363 32.2801 179.2521 22 K 3.9511 8.0757 118.7586 59.4643 31.9271 179.3838 23 L 4.0204 8.2276 119.2407 57.6731 41.5631 179.3858 24 A 4.1282 8.0447 120.8965 54.9806 18.4094 179.6169 25 E 3.8873 8.5550 117.5555 59.7850 29.3591 178.5710 26 H 3.9051 8.0127 116.9403 59.7089 29.9322 175.9904 27 Y 4.3202 7.8371 114.5892 56.8778 39.0575 174.8847 28 N 4.1628 7.7836 118.0979 54.6628 37.7935 172.3358 29 I 4.8556 7.7710 110.1127 58.3602 41.8481 175.1570 30 P 4.4193 0.0000 0.0000 62.5065 32.7013 175.4867 31 L 4.9586 8.4305 125.1371 54.0009 43.0838 174.9708 32 Y 5.1483 8.8764 125.6810 57.1047 40.2443 175.2312 33 S 4.9160 8.4504 116.2321 55.8575 67.2821 174.3697 34 K 3.7746 9.0284 119.3104 59.9115 31.2805 177.5280 35 E 3.8525 8.2913 118.7634 59.5412 29.3644 178.5900 36 L 3.9121 7.7066 119.8710 58.1716 41.9624 178.9194 37 L 3.7232 7.7023 117.8406 57.4211 41.5352 178.8668 38 D 4.3886 8.2830 118.8444 57.1338 41.0607 178.1813 39 E 4.0043 7.7133 119.3817 59.2511 29.5244 178.3413 40 V 3.9684 7.5336 114.9090 62.7538 31.3871 175.4146 41 A 4.7489 7.3960 118.2893 51.9776 19.4517 177.4613 42 K 4.3162 8.1775 116.8389 58.6009 32.7323 177.0916 43 D 4.7693 7.3870 117.5305 53.4416 41.2063 175.6449 *77 Q 4.5634 7.7773 120.3670 56.2519 31.4020 176.3482 78 D 4.1663 8.0624 116.6462 57.2835 41.3409 177.7503 79 I 3.5877 7.8789 119.6547 64.6080 36.9544 178.0173 80 A 3.5261 7.3005 121.0292 54.8496 18.0313 179.7982 81 I 3.5742 7.3765 117.8813 64.3679 37.2031 178.7106 82 R 3.9061 7.5726 118.7558 59.4410 29.9478 179.1884 83 Q 4.0252 7.9381 117.7774 58.8417 28.5673 178.8896 84 F 4.5873 8.1358 118.9974 60.8277 38.9608 177.3090 85 N 4.3881 8.6375 116.9488 56.4598 38.6816 176.6776 86 F 4.0955 8.5178 122.2933 61.3648 39.4789 177.1679 87 I 3.5366 8.0734 119.4185 64.2509 36.9325 178.3524 88 R 3.8878 8.3926 119.8870 59.3935 29.9196 177.9742 89 K 3.7276 8.2712 119.6353 59.8326 32.0666 178.4560 90 K 3.7374 7.7066 117.9494 59.5307 32.0839 179.1025 91 A 4.1843 8.3427 120.8343 55.1592 18.2197 179.0632 92 N 4.5019 8.6137 113.3784 54.4168 39.4035 176.1600 93 E 4.4193 7.8490 117.3694 58.0501 30.9407 177.0132 94 E 4.0041 8.1896 117.2472 56.6584 29.8564 176.1209 95 K 4.4408 7.9082 117.1500 56.3936 30.7014 174.4894 96 E 4.4787 8.7375 115.1909 55.9793 30.6174 176.5660 97 S 4.9920 8.3337 117.2752 57.2586 65.1469 173.4422 98 F 4.7140 7.8084 117.1431 56.4876 41.6115 172.4358 99 V 4.7637 8.6665 119.5867 61.1946 33.9293 174.1801 100 I 5.2931 8.7509 126.8547 59.4032 41.2018 173.9518 101 V 4.3589 8.8470 130.1852 62.5672 32.1851 176.9845 102 G 3.9163 9.8672 116.3409 45.1596 0.0000 174.7341 103 R 4.2942 9.4268 117.4490 57.0424 27.7435 175.5059 104 C 4.3944 8.9435 110.6650 60.3669 26.2609 175.4538 105 A 4.1119 8.2600 124.1186 55.3450 17.6335 180.2533 106 E 3.9436 8.2179 114.8810 59.1961 29.7867 178.7710 107 E 3.9759 7.9723 119.2044 59.2902 30.0191 178.0543 108 I 3.7487 7.5609 118.5304 63.6719 37.3908 176.9694 109 L 4.6721 7.8635 118.3380 54.5423 41.9261 178.6739 110 S 4.1575 8.1952 116.3661 60.7750 62.4029 174.1415 111 D 4.7743 7.9134 118.0593 53.7583 41.3056 174.8961 112 N 4.7609 7.8809 117.5063 50.5792 39.0509 172.9185 113 P 4.3864 0.0000 0.0000 64.7258 32.3178 176.7820 114 N 4.6803 8.3065 120.5029 51.8364 36.5505 174.1078 *116 I 4.5512 7.3903 114.3556 60.6676 39.9944 176.1751 117 S 5.4468 8.8821 117.3262 56.8027 66.5304 172.6744 118 A 4.9279 9.0324 122.1184 50.4335 23.0823 174.6390 119 F 4.7321 8.8274 123.5481 56.2308 41.9976 174.0075 120 I 4.6471 7.6391 127.1465 59.6287 39.4327 174.8771 121 L 4.9661 8.7549 125.9049 53.0932 46.2615 175.2122 122 G 4.4081 8.9603 105.7022 44.5709 0.0000 172.5139 123 D 4.4567 8.5479 120.6309 54.4233 41.9216 176.9586 124 K 3.8443 9.1665 126.7699 60.1255 32.2212 178.5510 125 D 4.3527 8.1216 118.1758 57.6314 40.8323 178.7474 126 T 3.8412 9.1515 117.0282 66.6133 68.4076 176.7079 127 K 4.2586 8.1400 121.7743 59.2663 31.8750 179.3637 128 T 3.8874 7.9146 114.8223 66.8261 68.4792 176.4916 129 K 4.1292 7.7582 118.7724 59.2611 32.3365 179.1885 130 R 4.0357 7.9287 119.0810 59.1044 30.1395 178.9829 131 V 3.9183 7.9495 118.3697 63.2818 31.7888 177.5761 *133 E 4.2331 8.2143 117.4885 55.8235 31.5513 177.3383 134 R 3.9026 8.2149 117.3914 59.2135 30.2071 177.8547 135 E 4.3287 8.2414 113.5471 55.3079 30.4384 175.8960 136 G 3.9806 7.7083 107.2375 47.0406 0.0000 173.2581 137 V 4.5182 7.3066 109.0193 58.3795 35.9642 176.2017 138 D 4.6687 8.2606 121.6448 52.5858 41.5912 176.8106 139 E 3.9092 8.6847 119.4414 59.5343 29.4220 178.6939 140 K 3.9618 8.0382 117.8552 59.8558 32.0299 179.2500 141 T 3.8790 8.4062 108.7302 64.6444 68.6232 175.7484 142 A 4.2141 8.2149 123.1770 55.1954 18.5178 179.3059 143 L 4.2510 7.8426 115.8752 57.2617 43.1437 179.2025 144 N 4.5870 7.9503 117.8632 53.2161 35.0348 175.0171 *147 K 4.1900 7.9046 124.7415 56.2192 34.3346 177.7335 148 K 4.0658 7.9073 116.1855 57.1210 31.7192 177.0327 *150 D 4.5047 8.1760 119.2389 53.9078 42.7172 178.6318 151 K 3.7414 7.8145 115.3178 57.1379 31.6405 178.9144 *153 R 4.2132 8.0983 120.3102 56.1915 32.1909 177.9543 154 K 3.4175 7.2906 118.2106 59.2577 32.0969 178.9897 155 V 3.5983 7.7571 118.5661 66.1292 31.2865 177.2364 156 Y 4.1773 7.9874 118.6320 61.0659 38.7825 177.1361 157 H 4.0376 8.6394 119.1347 59.6042 29.8528 176.8752 158 N 4.6020 8.6227 116.6344 55.3698 38.4803 177.1083 159 F 4.1247 8.0765 121.9491 61.6695 39.5047 176.4981 160 Y 4.1314 7.7665 116.0102 59.0960 37.6984 175.4232 161 C 4.6318 7.5394 116.3896 57.9044 30.7325 173.5660 162 E 4.1762 8.4625 120.8549 58.4878 29.7563 177.8589 163 S 4.3110 7.7373 111.6419 57.8966 64.1403 173.1994 164 K 4.6868 8.2292 120.8084 54.1931 33.1713 176.0667 165 W 4.1935 9.3684 134.3757 59.3795 30.8122 176.2795 166 G 2.5392 7.8371 114.0665 44.7275 0.0000 172.9124 167 D 4.5496 7.5086 120.2444 52.9778 42.2984 177.2192 168 S 4.2453 8.6697 120.3331 61.5673 63.0702 176.7115 169 R 4.0186 7.8398 118.4208 58.7368 29.8651 177.9887 170 T 3.7629 7.4486 113.8009 65.2327 68.4971 173.6544 171 Y 4.8306 7.3352 117.3302 55.9391 41.7884 175.0052 172 D 4.6383 8.5366 120.6890 56.7603 41.7315 177.6452 173 I 4.6731 7.7064 118.0408 59.6502 41.6670 174.3936 174 C 5.3106 8.7118 122.7404 58.0515 31.5833 173.5143 175 I 4.5649 8.4374 122.9551 59.4083 41.0152 174.0822 176 K 4.7399 8.6865 128.2650 55.0902 33.4433 175.4345 177 I 3.9038 9.0268 130.1078 59.4899 37.9618 177.2829 178 G 4.7460 8.8991 126.3217 46.9340 0.0000 173.5779 179 K 4.0147 7.7494 122.1761 57.8285 32.8475 177.4334 180 V 4.4909 7.5193 110.1007 58.9126 35.6383 174.1352 181 D 4.9873 8.0694 121.2390 51.9740 42.5562 177.4535 182 V 3.5619 8.0994 118.1554 66.3330 31.2770 177.5200 183 D 4.3230 8.0564 118.1278 57.3974 40.4862 178.6429 184 T 3.7852 8.3268 115.5129 66.5480 68.5895 175.8339 185 A 4.1353 7.5035 120.8888 55.8232 18.6734 179.4518 186 T 3.9976 7.9986 113.8158 66.6861 68.5902 177.7946 187 D 4.4119 8.2205 121.4743 54.2818 40.7977 178.6678 *189 I 4.1439 7.8106 121.8379 61.5835 39.4628 178.4814 190 I 3.8967 7.8017 120.9976 64.0027 36.8755 178.1439 191 K 3.9842 8.2709 120.7522 59.7660 31.7714 177.8494 192 Y 3.8802 8.0545 117.5125 60.8640 38.8562 177.7805 193 I 3.9880 8.2479 120.5455 64.7096 37.1707 178.2318 194 D 4.5982 8.9854 118.7083 56.0775 40.5901 177.7683 195 S 4.6660 7.4174 113.5942 58.0905 63.4589 174.2860 196 R 3.9842 7.5216 127.1224 56.9525 29.8162 176.3359 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 3 Q 8.34 4.27 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 4 I 7.61 4.36 1.55 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.26 0.47 0.00 0.00 5 I 9.07 4.26 1.59 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.36 0.04 0.00 0.00 6 I 8.34 4.49 1.82 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 1.06 0.56 0.90 0.00 0.00 7 A 9.01 4.96 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 8 I 9.01 4.78 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.95 0.88 0.00 0.00 9 G 8.90 4.78 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 10 R 8.02 4.09 0.00 1.61 1.63 0.00 3.29 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 11 E 7.93 4.82 0.00 1.97 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 2.58 2.09 0.00 12 F 9.84 4.37 0.00 2.97 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 13 G 8.37 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 14 S 7.56 4.08 0.00 3.98 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 15 G 8.22 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 16 G 7.77 3.53 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 0.00 17 H 8.14 4.14 0.00 3.27 3.31 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.82 3.92 0.00 1.85 1.66 0.89 0.85 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 19 V 7.88 3.50 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.92 0.00 0.00 20 A 8.10 3.97 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 21 K 8.04 3.85 0.00 1.75 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.56 1.46 7.81 22 K 8.08 3.95 0.00 2.03 1.82 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.56 7.81 23 L 8.23 4.02 0.00 1.92 1.85 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.04 4.13 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 3.89 0.00 2.15 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 2.33 2.39 0.00 26 H 8.01 3.91 0.00 3.07 3.24 0.00 5.74 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.84 4.32 0.00 3.04 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 28 N 7.78 4.16 0.00 2.80 2.81 0.00 0.00 6.86 7.38 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 29 I 7.77 4.86 2.05 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 1.01 0.00 0.00 30 P 0.00 4.42 0.00 1.58 2.03 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 31 L 8.43 4.96 0.00 1.65 1.63 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.88 5.15 0.00 3.04 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 33 S 8.45 4.92 0.00 3.91 4.05 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 0.00 0.00 0.00 34 K 9.03 3.77 0.00 1.84 1.86 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.62 1.43 7.81 35 E 8.29 3.85 0.00 2.07 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 2.37 2.38 0.00 36 L 7.71 3.91 0.00 1.74 1.76 1.07 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.70 3.72 0.00 1.71 1.56 1.06 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.28 4.39 0.00 2.77 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 39 E 7.71 4.00 0.00 2.00 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 0.00 2.25 2.29 0.00 40 V 7.53 3.97 1.45 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 0.53 0.00 0.00 0.79 0.00 0.00 41 A 7.40 4.75 1.13 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 42 K 8.18 4.32 0.00 1.71 1.81 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.53 7.81 43 D 7.39 4.77 0.00 2.56 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 0.00 0.00 0.00 0.00 *77 Q 7.78 4.56 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 78 D 8.06 4.17 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.88 3.59 1.82 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 1.51 0.67 0.82 0.00 0.00 80 A 7.30 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.38 3.57 1.98 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 1.71 0.79 0.95 0.00 0.00 82 R 7.57 3.91 0.00 1.92 1.93 0.00 3.11 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 83 Q 7.94 4.03 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 84 F 8.14 4.59 0.00 3.13 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.64 4.39 0.00 2.95 3.08 0.00 0.00 6.91 8.57 0.00 0.00 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 F 8.52 4.10 0.00 3.13 3.17 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 87 I 8.07 3.54 2.20 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.81 1.16 0.00 0.00 88 R 8.39 3.89 0.00 2.09 2.07 0.00 3.14 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 89 K 8.27 3.73 0.00 1.77 1.76 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.46 7.81 90 K 7.71 3.74 0.00 1.49 1.57 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.56 0.58 7.81 91 A 8.34 4.18 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.61 4.50 0.00 2.82 2.88 0.00 0.00 7.08 7.69 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 93 E 7.85 4.42 0.00 2.04 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 2.23 2.27 0.00 94 E 8.19 4.00 0.00 2.00 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 2.48 2.24 0.00 95 K 7.91 4.44 0.00 1.90 1.84 0.00 1.65 0.00 0.00 2.37 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.41 7.81 96 E 8.74 4.48 0.00 2.11 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 2.40 2.33 0.00 97 S 8.33 4.99 0.00 3.75 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 98 F 7.81 4.71 0.00 2.61 2.64 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 99 V 8.67 4.76 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 1.09 0.00 0.00 1.02 0.00 0.00 100 I 8.75 5.29 2.43 0.00 0.00 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 1.43 1.72 1.15 0.00 0.00 101 V 8.85 4.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.02 0.00 0.00 102 G 9.87 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 0.00 0.00 0.00 103 R 9.43 4.29 0.00 2.23 2.33 0.00 3.64 0.00 0.00 4.01 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.71 0.00 104 C 8.94 4.39 0.00 2.82 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 0.00 105 A 8.26 4.11 1.58 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 0.00 106 E 8.22 3.94 0.00 2.15 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 0.00 2.19 2.27 0.00 107 E 7.97 3.98 0.00 1.88 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 2.12 2.32 0.00 108 I 7.56 3.75 1.96 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.62 0.93 0.00 0.00 109 L 7.86 4.67 0.00 1.85 1.65 1.06 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.20 4.16 0.00 3.97 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 0.00 111 D 7.91 4.77 0.00 2.62 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 7.88 4.76 0.00 2.72 2.86 0.00 0.00 7.06 7.21 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 0.00 113 P 0.00 4.39 0.00 2.20 2.15 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 114 N 8.31 4.68 0.00 2.75 2.92 0.00 0.00 6.58 7.04 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 *116 I 7.39 4.55 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.17 0.98 0.00 0.00 117 S 8.88 5.45 0.00 4.14 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 0.00 118 A 9.03 4.93 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 0.00 119 F 8.83 4.73 0.00 1.51 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 I 7.64 4.65 1.60 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.61 0.76 0.00 0.00 121 L 8.75 4.97 0.00 1.51 1.70 1.00 0.68 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 0.00 122 G 8.96 4.41 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 0.00 123 D 8.55 4.46 0.00 2.78 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 0.00 124 K 9.17 3.84 0.00 1.88 1.83 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.59 7.81 125 D 8.12 4.35 0.00 2.92 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 0.00 126 T 9.15 3.84 4.35 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 1.19 0.00 0.00 127 K 8.14 4.26 0.00 1.94 1.87 0.00 1.91 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.54 7.81 128 T 7.91 3.89 4.37 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 1.23 0.00 0.00 129 K 7.76 4.13 0.00 1.85 1.86 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 130 R 7.93 4.04 0.00 1.85 2.07 0.00 3.18 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 131 V 7.95 3.92 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 1.11 0.00 0.00 0.86 0.00 0.00 *133 E 8.21 4.23 0.00 2.19 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 2.26 2.33 0.00 134 R 8.21 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0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.67 7.81 155 V 7.76 3.60 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 0.94 0.00 0.00 0.94 0.00 0.00 156 Y 7.99 4.18 0.00 3.18 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 0.00 157 H 8.64 4.04 0.00 3.59 3.67 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.62 4.60 0.00 2.86 2.92 0.00 0.00 7.05 7.43 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 0.00 159 F 8.08 4.12 0.00 2.94 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 0.00 160 Y 7.77 4.13 0.00 2.89 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 0.00 161 C 7.54 4.63 0.00 2.88 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 0.00 162 E 8.46 4.18 0.00 1.90 1.95 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 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4.83 0.00 2.88 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 0.00 172 D 8.54 4.64 0.00 2.50 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 0.00 173 I 7.71 4.67 1.71 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.12 0.84 0.00 0.00 174 C 8.71 5.31 0.00 2.80 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 0.00 175 I 8.44 4.56 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.80 0.87 0.00 0.00 176 K 8.69 4.74 0.00 1.74 1.70 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.44 7.81 177 I 9.03 3.90 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.95 0.92 0.00 0.00 178 G 8.90 4.75 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 0.00 0.00 0.00 179 K 7.75 4.01 0.00 1.75 1.89 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 180 V 7.52 4.49 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 0.78 0.00 0.00 0.91 0.00 0.00 181 D 8.07 4.99 0.00 2.91 2.78 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 0.00 182 V 8.10 3.56 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 1.10 0.00 0.00 0.89 0.00 0.00 183 D 8.06 4.32 0.00 2.74 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 T 8.33 3.79 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 185 A 7.50 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 0.00 186 T 8.00 4.00 4.35 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 1.17 0.00 0.00 187 D 8.22 4.41 0.00 2.79 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 *189 I 7.81 4.14 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 1.35 0.71 0.93 0.00 0.00 190 I 7.80 3.90 1.92 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.01 0.86 0.00 0.00 191 K 8.27 3.98 0.00 1.96 1.87 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 192 Y 8.05 3.88 0.00 3.04 3.19 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 0.00 193 I 8.25 3.99 2.16 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 1.61 0.81 0.80 0.00 0.00 194 D 8.99 4.60 0.00 2.72 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 0.00 195 S 7.42 4.67 0.00 3.98 4.01 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 0.00 0.00 0.00 196 R 7.52 3.98 0.00 1.76 1.84 0.00 3.30 0.00 0.00 3.45 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.40 0.00 * Residues marked with a * may have inaccurate shift predictions.