NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5653 8.2993 120.0950 56.2249 34.4883 175.3464 3 T 4.8466 7.9661 108.8495 58.9871 72.2264 172.2056 4 F 4.7974 10.1773 127.7703 56.7541 42.1574 175.1800 5 I 4.8228 7.9945 127.0645 59.7109 39.5549 174.4618 6 I 4.9680 9.0983 128.6185 59.5060 39.9714 174.7402 7 G 3.9734 9.4427 114.6426 44.5249 0.0000 172.7027 8 I 5.1777 8.6709 124.3180 59.7915 40.5682 174.0778 9 S 5.5516 9.5250 122.3596 55.1819 66.1340 172.2132 10 G 3.8388 8.6785 106.6264 42.3699 0.0000 173.0719 11 V 3.6409 7.6003 120.3345 61.2917 31.6384 175.6097 12 T 3.9469 8.2925 115.0798 63.8384 66.1544 173.3019 13 N 4.3360 9.0070 123.0514 54.2364 36.1607 176.2290 14 S 4.1157 7.8062 113.8973 59.4486 63.5547 174.8908 15 G 4.2667 7.6071 110.4094 45.8515 0.0000 176.2685 16 K 3.9275 8.5134 120.9246 59.5957 32.1261 179.0300 17 T 3.8979 7.9149 115.4299 67.0659 68.5049 176.6811 18 T 3.8861 7.7992 117.1206 66.3839 68.5606 176.4960 19 L 3.9699 7.9891 122.1327 57.9291 42.1134 178.6537 20 A 4.0350 8.1235 120.7939 55.3318 18.3251 179.7267 21 K 3.8894 8.0658 116.7662 59.6049 31.9636 179.3050 22 N 3.9834 7.9426 116.1908 56.2001 38.4519 177.2164 23 L 4.3328 7.9722 120.2152 58.0952 41.5890 179.1347 24 Q 4.0304 7.9753 117.9193 59.5972 28.9900 178.6424 25 K 4.0060 7.7731 117.5556 59.2113 32.1638 178.0462 26 H 4.7578 7.7658 112.7722 54.5655 29.5498 174.5176 27 L 4.8582 7.5380 122.0579 52.3264 43.2333 174.2761 28 P 4.4942 0.0000 0.0000 63.0539 33.0944 175.4645 29 N 4.1828 8.8519 119.2439 55.2765 36.9001 172.7796 30 C 5.5255 7.9650 116.8124 57.9286 34.7841 173.7657 31 S 5.0493 9.7480 122.1720 56.7719 66.4776 173.0637 32 V 4.9183 8.2299 120.0806 61.3168 34.6086 174.5197 33 I 4.6446 8.7137 127.6195 59.6781 40.5733 174.3782 34 S 5.3614 8.6192 122.8856 55.9793 64.5084 175.2312 35 Q 4.1510 9.4230 127.1259 58.9698 29.0120 177.9593 36 D 4.8176 8.1855 116.1026 56.8163 41.0774 176.5621 37 D 4.6206 8.2138 117.4624 55.1482 40.9747 176.4245 38 F 4.8652 8.0446 117.9272 57.1147 40.5943 174.8620 39 F 4.8793 8.4975 117.5861 57.0650 39.4552 175.9248 40 K 4.4506 9.2792 123.3759 55.5259 32.8824 175.3678 41 P 4.5067 0.0000 0.0000 62.4543 32.0839 176.8650 42 E 4.0957 8.9864 120.4633 59.5630 29.4861 178.7517 43 S 4.4271 8.0758 110.5111 59.5412 63.3384 174.0800 44 E 4.5126 8.2457 120.0018 56.4886 30.5687 176.2065 45 I 4.0639 7.1620 119.6391 60.9431 37.8293 175.1810 46 E 4.9253 8.6083 123.3811 54.7253 33.3656 174.7072 47 T 5.6297 8.4782 111.5732 59.0276 71.0460 173.9698 48 D 4.6934 8.8276 125.4271 52.2960 40.8374 177.0164 49 K 3.9378 8.7722 118.2920 60.1248 31.7703 177.8708 50 N 4.3636 8.2089 111.6603 53.0722 39.0222 174.7206 51 G 3.5741 8.5103 106.5312 46.4267 0.0000 174.3672 52 F 5.2600 8.8952 117.2608 55.3302 41.9417 175.7302 53 L 4.6123 8.9440 126.4665 55.1547 42.1736 178.5304 54 Q 4.3982 9.4251 125.9755 55.3801 26.8560 175.1951 55 Y 4.6076 8.1838 116.0421 59.1939 39.3710 176.2860 56 D 5.4419 8.3519 119.7244 54.0076 41.5651 176.5045 57 V 4.6095 7.5853 110.4663 59.3829 36.0830 176.8912 58 L 3.9217 8.5853 122.2345 57.9969 41.5852 179.1813 59 E 4.1177 8.2244 115.7300 57.9623 29.6903 176.9956 60 A 4.5929 8.2399 121.5864 51.7924 19.5996 176.4007 61 L 5.1933 7.4173 115.7420 52.7442 44.4676 176.2490 62 N 4.6194 9.1901 120.1689 52.7141 39.4681 176.1693 *64 E 4.3057 8.5005 118.1641 56.3107 32.2930 177.1804 65 K 4.2859 7.2607 120.0227 55.9928 30.2267 177.0136 *68 S 4.3219 7.8886 116.1338 58.1148 64.9900 175.4971 69 A 4.1345 7.8714 121.5307 55.2809 17.8014 179.7311 70 I 3.7893 7.5597 117.0670 64.5865 37.3100 178.3895 71 S 4.3302 7.8874 114.8854 61.6269 63.0834 175.9894 72 C 4.4048 8.3113 119.7280 62.2545 27.8155 175.5681 73 W 4.0752 8.0581 127.1527 58.0473 29.9361 177.2527 *75 E 4.1946 8.1418 117.8052 55.7984 30.7683 177.8929 76 S 4.1095 7.7770 112.2786 60.0642 63.6208 175.2943 77 A 3.6780 7.6329 124.8658 54.9765 18.0699 179.8913 78 R 4.2284 7.2062 111.0625 57.1502 29.2952 176.7556 79 H 4.8059 8.1178 115.1623 54.9750 29.8954 173.5005 *92 I 3.9796 7.7745 118.5614 60.0804 39.0954 173.3821 93 P 4.7728 0.0000 0.0000 63.0830 32.5248 175.2074 94 I 5.4054 9.5415 124.9125 59.4832 40.9140 174.1980 95 L 4.6616 8.6624 127.9465 53.1597 44.8613 174.8887 96 I 4.8392 8.9024 127.9815 59.9506 39.3480 174.8156 97 I 4.8625 9.1565 129.8685 59.7809 38.5020 174.4376 98 E 5.1554 8.7051 126.5089 54.6432 32.1099 175.4441 99 G 4.2107 8.3514 107.1085 45.6588 0.0000 174.3485 100 F 4.8342 9.5342 116.9191 57.5500 38.4255 175.9929 101 L 3.3806 7.2090 122.8776 52.9306 42.3185 174.2996 102 L 4.6613 8.9708 122.2983 55.4142 44.4423 178.2296 103 F 5.6100 8.3006 114.7427 57.8014 38.6862 175.4747 104 N 5.0593 8.5784 115.4672 52.4891 38.4033 173.4984 105 Y 4.5717 7.9975 121.9302 55.9666 38.8506 175.7017 106 K 4.1309 8.4826 127.4067 58.3672 32.2501 177.6757 107 P 4.1256 0.0000 0.0000 64.9777 31.4970 177.2471 108 L 3.8112 7.7253 117.2994 56.1090 42.0235 178.4132 109 D 3.5856 7.9041 119.3560 57.2659 40.7600 178.1635 110 T 4.1937 7.3012 106.2841 61.7191 69.2163 175.4049 111 I 4.1973 6.8688 123.3886 62.1653 39.6964 176.7132 112 W 4.4916 7.2977 119.4481 57.2735 29.3406 175.0859 113 N 4.6462 8.8536 119.9350 54.3008 40.0385 175.6808 114 R 4.5484 7.5266 117.7019 54.8281 34.0446 174.0033 115 S 4.9468 8.2848 120.9151 56.8278 66.7710 172.4674 116 Y 5.2244 9.3285 121.1314 56.1678 42.0993 174.5889 117 F 5.1948 8.9177 124.0780 56.4802 42.5685 173.5593 118 L 4.7876 8.5510 127.8358 54.7211 42.3976 176.6428 119 T 4.8404 9.1115 121.2668 61.7953 71.1234 173.3234 120 I 4.9458 8.3281 125.4702 58.4137 41.3372 173.1879 121 P 4.6486 0.0000 0.0000 62.5085 32.3175 176.6716 122 Y 3.1511 8.7101 120.4075 60.9194 38.3616 178.4336 123 E 3.6284 8.0213 118.8666 59.1205 29.6194 178.7535 124 E 3.8835 7.9442 119.0438 59.0479 29.7678 178.2523 125 C 4.0762 8.0238 118.9657 62.2559 31.4805 175.4453 126 K 2.4800 7.0674 120.1228 58.7579 31.8244 178.5358 127 R 3.7981 7.3536 118.9540 59.2962 30.0752 178.3836 128 R 3.8243 7.7902 117.7198 59.5244 30.1603 178.7574 129 R 4.1457 7.9721 118.3885 59.7140 29.7857 178.1435 130 S 4.3776 7.6687 111.6326 60.1523 63.2630 175.3955 131 T 4.2269 7.7374 112.5505 61.3940 69.2808 174.1704 132 R 4.2337 7.2020 122.3879 54.3314 31.5331 175.1607 133 V 3.9823 8.0422 125.3570 61.8392 31.4180 175.0390 134 Y 4.2093 8.3409 125.4135 56.9053 39.2558 174.5374 135 Q 4.2990 8.0943 120.9557 53.6048 30.8610 172.5900 136 P 4.3697 0.0000 0.0000 61.6321 32.1275 174.6917 137 P 4.4752 0.0000 0.0000 61.8126 31.8378 175.9503 138 D 4.0008 8.5454 121.1599 54.3280 41.1043 176.9382 139 S 4.4046 8.0949 119.0100 57.0307 63.9460 171.5349 140 P 4.5296 0.0000 0.0000 63.7433 31.4324 177.0883 141 G 4.1073 9.1974 110.2125 46.8367 0.0000 174.6459 142 Y 3.8617 8.2308 121.9793 60.3345 38.7060 177.5535 143 F 3.9143 8.4545 121.1197 61.8091 39.2186 176.8169 144 D 4.5406 8.3116 116.3435 56.9373 40.8589 178.2947 145 G 3.5550 8.0316 105.1467 46.1104 0.0000 173.3697 146 H 4.3392 7.7030 118.1238 57.5861 31.8667 174.4204 147 V 3.6313 7.2056 116.9235 65.7380 31.7013 176.9791 148 W 3.9687 8.2977 129.6198 59.9590 30.7939 177.0336 149 P 4.1055 0.0000 0.0000 63.4077 30.9384 177.3577 *151 Y 4.6764 8.0495 120.9554 57.6858 40.4841 177.1059 152 L 3.4442 7.3718 119.4543 57.4106 41.5805 179.4582 153 K 3.8859 7.9461 119.6820 59.3741 31.8491 178.3896 154 Y 4.1764 7.6043 118.6140 60.8579 38.9783 177.2420 155 R 3.5232 7.5206 118.0163 59.3648 30.1450 178.4989 156 Q 3.9602 7.5410 118.0601 58.6469 29.9661 177.6592 157 E 4.1880 7.6187 119.7577 56.1861 27.6399 177.5311 *159 Q 4.1823 7.8122 116.9421 55.7290 31.2405 176.9287 160 D 4.4396 7.9720 116.2662 55.8535 41.4458 176.8209 161 I 3.1436 7.2408 118.5171 61.8372 37.2566 175.3134 162 T 4.2064 8.2978 114.2491 62.0774 69.9857 174.7948 163 W 4.5783 7.7164 118.4248 55.0905 30.1230 174.2223 164 E 4.2332 8.7503 119.1656 54.7863 29.7324 174.8105 165 V 4.0294 7.8071 126.1874 60.9058 33.6536 174.8955 166 V 4.0412 8.0292 128.5292 61.9389 32.3281 174.3815 167 Y 4.9050 8.6915 126.6325 57.8254 38.6495 175.1886 168 L 4.8964 9.3152 124.1006 52.9600 45.6898 175.4054 169 D 4.9142 8.7033 122.2454 53.2350 41.4686 177.0119 170 G 3.9491 9.3897 115.2611 48.5649 0.0000 173.8541 171 T 4.2030 8.0035 110.2646 63.5163 69.2794 175.1007 172 K 4.1860 7.5202 121.0693 55.7317 32.9709 176.8388 173 S 4.2805 8.3473 113.5727 58.6262 64.2723 174.3634 174 E 4.0009 8.6486 126.8248 59.1952 29.5934 178.7881 175 E 4.2526 8.1193 117.4140 59.0421 29.8986 178.7522 176 D 4.4099 7.9564 119.8213 57.1661 41.0207 178.4332 177 L 4.0067 7.9756 119.5424 57.6016 41.5530 179.1252 178 F 4.2014 8.1194 120.2212 61.5218 39.3250 177.2720 179 L 3.6509 7.9933 118.3511 57.3552 40.9272 179.2498 180 Q 4.0689 7.9963 119.8972 59.1164 28.9532 178.3761 181 V 3.4834 7.6170 119.1546 65.7118 31.4145 177.2988 182 Y 4.1532 7.9815 119.6694 60.7100 38.4351 178.0284 183 E 3.8316 8.0657 119.3092 59.4703 29.4349 178.5189 184 D 4.3924 7.5020 116.1710 57.7772 41.4167 178.4492 185 L 4.1829 8.4966 119.0802 57.0985 41.5676 178.9202 186 I 4.0132 7.0812 118.0184 62.6282 37.2599 176.3904 187 Q 4.5489 7.9541 118.2053 56.0847 29.5332 176.4665 188 E 4.7106 7.8427 118.1535 56.4806 33.6173 176.3930 189 L 4.0899 7.1653 115.3250 55.4389 42.6620 177.9179 190 A 4.0814 8.1439 122.5347 55.2439 18.3426 179.5607 191 K 4.1703 7.9557 111.9187 56.9270 31.8257 177.1599 192 Q 4.2729 7.8387 124.4364 56.1152 29.0134 175.5209 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 2 K 8.30 4.57 0.00 1.67 1.94 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.46 7.81 3 T 7.97 4.85 4.66 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 1.15 0.00 0.00 4 F 10.18 4.80 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 5 I 7.99 4.82 1.98 0.00 0.00 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 1.35 0.80 0.85 0.00 0.00 6 I 9.10 4.97 2.05 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.91 1.20 0.00 0.00 7 G 9.44 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.67 5.18 1.91 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 1.28 0.78 0.95 0.00 0.00 9 S 9.53 5.55 0.00 3.02 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.68 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 0.00 0.00 0.00 11 V 7.60 3.64 0.67 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 0.55 0.00 0.00 0.55 0.00 0.00 12 T 8.29 3.95 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 13 N 9.01 4.34 0.00 3.08 2.89 0.00 0.00 6.87 7.57 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 14 S 7.81 4.12 0.00 3.94 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 15 G 7.61 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 0.00 0.00 0.00 0.00 16 K 8.51 3.93 0.00 1.84 1.89 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.52 7.81 17 T 7.91 3.90 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 1.21 0.00 0.00 18 T 7.80 3.89 4.38 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 1.18 0.00 0.00 19 L 7.99 3.97 0.00 1.80 1.81 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.12 4.03 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 8.07 3.89 0.00 1.89 1.83 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.73 1.61 7.81 22 N 7.94 3.98 0.00 2.78 1.82 0.00 0.00 7.04 6.07 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 23 L 7.97 4.33 0.00 1.97 1.92 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 7.98 4.03 0.00 2.08 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 25 K 7.77 4.01 0.00 1.67 1.63 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.67 7.81 26 H 7.77 4.76 0.00 3.05 3.38 0.00 5.83 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.54 4.86 0.00 1.87 1.72 1.10 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.49 0.00 2.23 2.11 0.00 4.01 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 29 N 8.85 4.18 0.00 3.04 2.93 0.00 0.00 6.60 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 C 7.97 5.53 0.00 3.10 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 31 S 9.75 5.05 0.00 3.78 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.23 4.92 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 0.89 0.00 0.00 0.96 0.00 0.00 33 I 8.71 4.64 1.85 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 1.24 0.48 1.02 0.00 0.00 34 S 8.62 5.36 0.00 4.05 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 35 Q 9.42 4.15 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.19 0.00 36 D 8.19 4.82 0.00 2.87 3.01 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 37 D 8.21 4.62 0.00 2.48 2.34 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 38 F 8.04 4.87 0.00 3.05 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 39 F 8.50 4.88 0.00 3.05 3.11 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 40 K 9.28 4.45 0.00 1.74 1.81 0.00 1.85 0.00 0.00 1.93 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.57 7.81 41 P 0.00 4.51 0.00 2.25 2.22 0.00 3.83 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.00 0.00 42 E 8.99 4.10 0.00 2.09 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 2.46 2.49 0.00 43 S 8.08 4.43 0.00 4.03 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 44 E 8.25 4.51 0.00 2.10 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 2.27 2.27 0.00 45 I 7.16 4.06 1.66 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 1.30 0.08 0.24 0.00 0.00 46 E 8.61 4.93 0.00 1.88 1.81 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 2.28 2.25 0.00 47 T 8.48 5.63 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 48 D 8.83 4.69 0.00 3.00 2.97 0.00 0.00 0.00 0.00 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7.89 4.32 0.00 3.95 4.12 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 69 A 7.87 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 70 I 7.56 3.79 1.79 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.43 0.83 0.00 0.00 71 S 7.89 4.33 0.00 4.00 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 72 C 8.31 4.40 0.00 3.25 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 W 8.06 4.08 0.00 3.49 3.35 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 *75 E 8.14 4.19 0.00 2.22 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 0.00 2.26 2.71 0.00 76 S 7.78 4.11 0.00 3.98 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.63 3.68 0.48 0.00 0.00 0.00 0.00 0.00 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0.00 139 S 8.09 4.40 0.00 4.08 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 P 0.00 4.53 0.00 2.15 2.10 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 141 G 9.20 4.11 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 0.00 142 Y 8.23 3.86 0.00 3.36 3.05 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 0.00 143 F 8.45 3.91 0.00 3.23 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 0.00 144 D 8.31 4.54 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 0.00 145 G 8.03 3.55 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 0.00 0.00 0.00 146 H 7.70 4.34 0.00 2.05 2.12 0.00 5.97 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.21 3.63 1.74 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 0.81 0.00 0.00 0.67 0.00 0.00 148 W 8.30 3.97 0.00 2.82 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 0.00 149 P 0.00 4.11 0.00 2.11 2.02 0.00 3.53 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 *151 Y 8.05 4.68 0.00 2.86 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 0.00 152 L 7.37 3.44 0.00 1.71 1.52 1.04 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 153 K 7.95 3.89 0.00 1.86 1.76 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.42 7.81 154 Y 7.60 4.18 0.00 2.80 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 0.00 155 R 7.52 3.52 0.00 1.53 1.66 0.00 3.12 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.39 0.00 156 Q 7.54 3.96 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.63 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 157 E 7.62 4.19 0.00 2.20 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 2.36 2.52 0.00 *159 Q 7.81 4.18 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.08 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 160 D 7.97 4.44 0.00 2.62 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 0.00 161 I 7.24 3.14 1.33 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.05 -0.54 0.00 0.00 162 T 8.30 4.21 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 1.24 0.00 0.00 163 W 7.72 4.58 0.00 3.37 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 E 8.75 4.23 0.00 1.93 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 2.12 2.22 0.00 165 V 7.81 4.03 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 -0.04 0.00 0.00 -0.04 0.00 0.00 166 V 8.03 4.04 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 1.09 0.00 0.00 0.80 0.00 0.00 167 Y 8.69 4.91 0.00 2.96 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 0.00 168 L 9.32 4.90 0.00 1.64 1.61 0.89 0.80 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 0.00 169 D 8.70 4.91 0.00 2.80 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 0.00 170 G 9.39 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 0.00 171 T 8.00 4.20 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 1.25 0.00 0.00 172 K 7.52 4.19 0.00 2.02 1.85 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.42 7.81 173 S 8.35 4.28 0.00 3.90 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 0.00 174 E 8.65 4.00 0.00 2.07 1.92 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 2.35 2.35 0.00 175 E 8.12 4.25 0.00 2.28 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 0.00 2.31 2.38 0.00 176 D 7.96 4.41 0.00 2.95 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 0.00 177 L 7.98 4.01 0.00 1.91 1.73 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 178 F 8.12 4.20 0.00 3.10 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 0.00 179 L 7.99 3.65 0.00 1.71 1.64 0.97 0.42 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 0.00 180 Q 8.00 4.07 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 181 V 7.62 3.48 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 0.39 0.00 0.00 0.52 0.00 0.00 182 Y 7.98 4.15 0.00 2.30 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 0.00 183 E 8.07 3.83 0.00 2.05 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 0.00 2.29 2.64 0.00 184 D 7.50 4.39 0.00 2.89 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 0.00 185 L 8.50 4.18 0.00 1.98 1.65 1.30 0.84 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 0.00 186 I 7.08 4.01 1.76 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.72 0.76 0.00 0.00 187 Q 7.95 4.55 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 188 E 7.84 4.71 0.00 1.93 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 2.36 2.44 0.00 189 L 7.17 4.09 0.00 1.53 1.55 0.78 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 190 A 8.14 4.08 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 0.00 191 K 7.96 4.17 0.00 1.79 1.86 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.46 7.81 192 Q 7.84 4.27 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.