NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5155 8.3349 115.5521 57.9793 64.4963 173.3596 1 L 4.2906 8.3936 121.8292 54.5467 43.1684 174.1315 2 N 5.5450 9.4128 120.0967 51.7778 42.2662 173.5093 3 A 5.2456 9.0152 122.2617 50.5049 23.4874 174.8998 4 I 4.8651 8.6889 120.4547 59.5750 40.5257 174.7727 5 I 4.4886 8.2909 127.3444 60.0338 39.1093 174.8183 6 I 4.9074 8.7035 128.7499 59.7178 38.9328 173.5673 7 D 4.8998 8.8682 124.3457 53.2751 44.4495 174.7044 8 D 4.6313 8.8788 123.9610 53.6160 40.2802 176.2341 9 H 4.6268 8.5772 119.4492 54.2821 29.7307 173.6096 10 P 4.2328 0.0000 0.0000 65.7699 31.2698 178.3947 11 L 3.9362 7.8854 117.9779 58.1766 42.1669 178.6851 12 A 4.0142 7.9465 120.2702 54.9313 18.3176 179.2753 13 I 3.5984 8.1241 118.6344 64.7017 37.2133 178.4538 14 A 3.9610 7.8922 120.6107 55.0548 18.2121 179.5659 15 A 3.9213 8.0506 119.3029 55.3977 18.3863 180.0155 16 I 3.6627 8.2239 118.8147 64.3040 37.1768 178.5807 17 R 3.8554 8.1241 119.6542 59.6933 29.9451 178.4208 18 N 4.3747 8.3425 116.2445 55.9888 38.2608 177.2932 19 L 3.9311 7.8714 121.9501 58.0239 42.2365 179.0354 20 L 3.9925 8.1255 119.1343 57.9577 41.5559 179.5636 21 I 3.7090 7.8127 119.7088 64.2866 36.8111 178.4424 22 K 4.0554 8.0195 119.3438 58.5339 31.9266 177.4870 23 N 4.8451 7.3980 115.2252 52.1463 39.6730 173.8810 24 D 4.3756 7.8659 117.0445 55.6687 40.2353 173.2008 25 I 4.7105 7.6901 117.3853 59.2279 39.4924 175.9384 26 E 4.3849 9.0652 126.7916 55.8628 31.2873 175.5636 27 I 4.6550 8.1357 123.6037 60.0478 37.9179 175.6860 28 L 4.3312 9.1946 128.4116 57.2824 42.5583 177.2803 29 A 4.5205 7.4632 116.8056 51.0460 22.4699 175.0368 30 E 5.0965 8.8490 119.2580 54.5322 32.5457 175.4579 31 L 4.8950 9.2315 124.6458 52.8730 45.1010 177.1322 32 T 4.6647 8.3791 110.8023 61.0172 69.3020 173.1087 33 E 4.7737 7.7875 117.9202 55.8556 32.3381 175.1102 34 G 4.0219 8.4481 107.9571 45.7738 0.0000 176.4437 35 G 3.6502 8.3080 108.9429 48.1385 0.0000 174.4341 36 S 4.5108 8.2434 112.3728 58.1087 64.1618 175.9209 37 A 3.9001 7.8399 124.0702 55.5055 18.0797 179.7295 38 V 3.4356 7.6918 116.1341 66.1989 31.6523 177.8096 39 Q 3.9345 7.9764 118.7223 59.2622 28.8964 178.2930 40 R 3.9155 8.1597 119.2220 59.1738 30.1091 179.1697 41 V 3.4971 7.9941 118.3723 66.0960 31.2563 178.0130 42 E 4.0794 8.1515 117.3451 59.3087 29.3046 179.2463 43 T 4.0969 7.7807 115.2579 66.5118 68.8443 176.6535 44 L 4.1656 8.1998 118.8245 54.4429 42.9984 176.8609 45 K 3.9615 7.9427 117.9774 56.7676 29.9424 173.3050 46 P 4.5640 0.0000 0.0000 62.7512 32.7193 176.8275 47 D 4.6417 8.6857 119.4452 56.6849 42.2213 176.3196 48 I 5.1693 8.1121 118.8199 59.3378 41.3836 174.8465 49 V 4.7441 9.1610 126.2074 61.1791 34.5857 173.9548 50 I 4.8810 8.6355 128.8803 59.7595 39.3984 174.6194 51 I 4.9006 8.6517 128.1316 59.3157 40.4105 174.4518 52 D 4.9718 9.1471 128.2986 53.8758 41.7386 177.9043 53 V 3.8555 8.7863 119.2684 63.9156 31.7722 176.7969 54 D 4.8942 8.3285 118.6000 53.6618 40.9388 176.1885 55 I 3.6549 7.4254 119.8773 60.6418 38.3517 174.1614 56 P 4.5099 0.0000 0.0000 63.2770 32.9402 176.2449 57 G 4.0462 8.4188 104.7679 44.9377 0.0000 173.9169 58 V 3.5734 8.3929 121.5593 63.2295 32.0464 175.9657 59 N 4.7548 8.7168 124.7760 52.4092 39.4282 176.1591 60 G 3.7397 8.6895 108.6701 48.4846 0.0000 176.1137 61 I 3.9102 7.9340 121.9212 63.8062 37.2023 178.1824 62 Q 3.9683 8.8899 121.1646 58.9929 28.7990 178.3180 63 V 3.5429 8.0699 119.5617 65.8896 31.5715 177.4493 64 L 3.9523 7.9052 119.9679 58.5341 41.8093 178.9382 65 E 4.0037 8.4908 118.4695 59.7771 29.3715 179.5531 66 T 3.8952 8.4518 116.2077 66.4840 68.4769 176.8110 67 L 4.0132 8.2161 121.1734 57.8967 41.6215 179.7940 68 R 3.9996 8.1051 118.0288 59.1482 29.7897 178.8720 69 K 3.9326 8.1075 118.5292 59.3506 32.1322 177.9125 70 R 4.4272 7.8862 115.7887 55.7094 30.1318 176.5441 71 Q 3.6731 8.0563 115.9434 56.7468 26.4555 173.0174 72 Y 4.1362 8.1467 120.3134 58.2933 38.9758 176.5194 73 S 4.4718 7.9274 121.6216 58.1605 63.6425 174.2216 74 G 3.7542 5.3800 108.2554 44.2951 0.0000 172.8456 75 I 4.5452 8.5227 121.1294 60.6888 38.5655 175.5182 76 I 5.0748 9.6625 128.0623 59.5608 40.2914 174.4548 77 I 4.7837 8.6190 128.0408 59.5142 39.7797 174.8667 78 I 4.6798 8.6350 128.5537 60.6144 38.7645 175.4477 79 V 4.6381 8.7388 119.1969 59.5771 35.5096 174.6337 80 S 4.7905 8.3241 116.6229 56.3995 65.6435 174.7440 81 A 3.9325 8.8941 127.4399 53.4959 19.5340 178.9700 82 K 4.3486 8.1260 108.9872 57.0473 32.3400 178.1483 *86 F 4.7851 9.0232 111.8564 56.6626 39.4882 175.5909 87 Y 4.1164 6.5976 119.7130 58.0076 38.5180 176.8249 88 G 3.2943 7.1565 106.3762 48.2880 0.0000 175.2881 89 K 3.6317 7.6975 121.4595 59.4338 32.2363 178.1014 90 H 3.9760 7.8078 117.8670 59.4662 29.7302 176.8722 91 C 4.0401 7.4635 118.1005 62.4897 28.0266 175.8691 92 A 3.6871 7.8835 122.7458 55.2107 17.6053 179.5022 93 D 4.2658 7.9108 115.9658 56.7566 40.9458 177.8811 94 A 4.3491 7.5244 119.0882 52.1027 18.8424 177.8034 95 G 3.8619 7.7207 105.3509 45.2545 0.0000 174.0775 96 A 4.3487 7.8469 121.6422 51.9717 19.1554 178.4749 97 N 4.7526 9.1389 117.4935 55.1473 39.9364 175.1628 98 G 3.5620 7.4674 103.9229 45.4564 0.0000 172.2664 99 F 5.2308 8.3330 122.4441 56.4812 42.5069 173.8661 100 V 4.4618 8.1371 125.9322 60.9329 34.3518 174.4664 101 S 4.6628 8.6368 122.3969 57.8340 63.1773 174.8109 102 K 3.8032 9.3457 127.4771 58.2540 32.2733 179.2143 103 K 3.9353 7.3410 117.3243 59.1861 32.1268 177.0976 104 E 4.2699 7.6534 115.8300 56.1110 29.3814 176.1806 105 G 3.8718 7.8339 106.0023 44.9005 0.0000 173.4592 106 M 4.2025 8.3366 116.0570 56.9614 32.7807 178.3092 107 N 4.2626 8.2845 117.0608 56.9401 38.9032 176.3000 108 N 4.3995 8.0965 117.2052 56.0057 38.6917 177.4031 109 I 3.5833 7.6075 121.3213 64.2760 37.1237 178.2464 110 I 3.5995 7.6037 118.8098 63.8686 37.7798 177.5593 111 A 3.7849 7.9133 121.5113 54.9620 18.0950 179.4961 112 A 3.3165 7.3244 119.1569 55.0518 18.2817 179.9861 113 I 3.6114 7.6336 118.3311 64.4063 37.2427 178.5135 114 E 3.9034 8.4071 119.5700 59.2949 29.2261 179.1325 115 A 4.0618 8.2704 120.9142 55.3358 18.4667 179.6121 116 A 4.6072 8.1161 120.5596 54.8417 18.2260 180.0203 117 K 4.0034 8.2510 116.4269 59.1962 32.1778 178.3193 118 N 4.8220 7.8677 113.8601 53.1788 38.8051 175.8479 119 G 3.8278 8.1514 108.9956 45.2420 0.0000 172.4994 120 Y 4.8200 8.3753 116.5491 56.0971 41.9449 174.2745 121 C 5.4307 8.8921 117.3419 58.4903 32.0234 173.7540 122 Y 4.6497 8.5802 121.1861 56.2522 40.7158 173.7804 123 F 5.3370 8.5300 123.7336 54.6011 43.2997 173.3741 124 P 4.4400 0.0000 0.0000 62.9521 31.8194 175.5700 125 F 4.9306 8.7263 122.9886 56.3876 41.2603 174.7964 126 S 4.4703 7.6580 122.8468 56.2480 64.8873 174.6958 127 L 3.7882 8.2646 127.6347 57.3702 41.7687 178.1190 128 N 4.5888 7.8857 117.0429 54.9711 37.3094 176.6284 129 R 3.6878 7.0516 120.2711 58.2339 30.0180 176.7117 130 F 4.9060 7.9074 115.1035 57.1693 41.1983 175.3631 131 V 4.0591 7.5690 124.6944 62.9932 31.7211 174.5619 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 0 S 8.33 4.52 0.00 3.99 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 1 L 8.39 4.29 0.00 1.75 1.63 0.92 0.35 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 2 N 9.41 5.55 0.00 2.66 2.70 0.00 0.00 6.88 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 9.02 5.25 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 4 I 8.69 4.87 1.83 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 1.21 0.67 0.94 0.00 0.00 5 I 8.29 4.49 1.86 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 1.21 0.57 0.90 0.00 0.00 6 I 8.70 4.91 1.94 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 1.09 0.79 0.90 0.00 0.00 7 D 8.87 4.90 0.00 2.66 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 8 D 8.88 4.63 0.00 2.77 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 9 H 8.58 4.63 0.00 3.29 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.23 0.00 2.16 2.13 0.00 3.61 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 11 L 7.89 3.94 0.00 1.76 1.65 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.95 4.01 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 13 I 8.12 3.60 2.02 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 1.46 0.73 0.91 0.00 0.00 14 A 7.89 3.96 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 15 A 8.05 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 16 I 8.22 3.66 1.91 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 1.37 0.72 0.88 0.00 0.00 17 R 8.12 3.86 0.00 1.94 2.12 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 18 N 8.34 4.37 0.00 2.76 2.84 0.00 0.00 6.71 6.25 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 19 L 7.87 3.93 0.00 1.83 1.87 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.13 3.99 0.00 1.84 1.68 0.90 1.15 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 21 I 7.81 3.71 1.86 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 1.40 1.35 0.90 0.00 0.00 22 K 8.02 4.06 0.00 1.88 2.01 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 23 N 7.40 4.85 0.00 2.77 2.76 0.00 0.00 6.94 7.90 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 24 D 7.87 4.38 0.00 2.74 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 25 I 7.69 4.71 1.97 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 1.22 0.96 0.90 0.00 0.00 26 E 9.07 4.38 0.00 2.13 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 27 I 8.14 4.65 1.86 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 1.34 0.54 0.98 0.00 0.00 28 L 9.19 4.33 0.00 1.47 1.72 0.95 0.80 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 29 A 7.46 4.52 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 30 E 8.85 5.10 0.00 1.81 1.83 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 2.18 2.29 0.00 31 L 9.23 4.90 0.00 1.49 1.51 0.89 0.42 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 32 T 8.38 4.66 4.22 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 1.24 0.00 0.00 33 E 7.79 4.77 0.00 2.02 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 2.18 2.35 0.00 34 G 8.45 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 0.00 0.00 0.00 35 G 8.31 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 0.00 0.00 0.00 36 S 8.24 4.51 0.00 4.02 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 37 A 7.84 3.90 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 38 V 7.69 3.44 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 1.01 0.00 0.00 0.91 0.00 0.00 39 Q 7.98 3.93 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 40 R 8.16 3.92 0.00 1.83 1.93 0.00 3.33 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 41 V 7.99 3.50 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 0.44 0.00 0.00 0.80 0.00 0.00 42 E 8.15 4.08 0.00 2.04 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 2.38 2.47 0.00 43 T 7.78 4.10 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 44 L 8.20 4.17 0.00 1.69 1.72 0.91 0.89 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 45 K 7.94 3.96 0.00 1.91 1.88 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.55 7.81 46 P 0.00 4.56 0.00 2.43 2.07 0.00 3.95 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 47 D 8.69 4.64 0.00 2.80 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 48 I 8.11 5.17 1.89 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 1.13 0.84 0.91 0.00 0.00 49 V 9.16 4.74 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 0.91 0.00 0.00 0.75 0.00 0.00 50 I 8.64 4.88 1.85 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 1.19 0.54 0.86 0.00 0.00 51 I 8.65 4.90 1.89 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 1.10 0.82 0.93 0.00 0.00 52 D 9.15 4.97 0.00 2.94 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 53 V 8.79 3.86 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.07 0.00 0.00 54 D 8.33 4.89 0.00 2.87 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 55 I 7.43 3.65 2.00 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 1.35 0.62 0.99 0.00 0.00 56 P 0.00 4.51 0.00 2.25 2.17 0.00 3.87 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 57 G 8.42 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 0.00 0.00 0.00 58 V 8.39 3.57 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 1.02 0.00 0.00 0.94 0.00 0.00 59 N 8.72 4.75 0.00 3.08 2.96 0.00 0.00 6.13 6.92 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 60 G 8.69 3.74 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 0.00 0.00 0.00 61 I 7.93 3.91 2.14 0.00 0.00 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 1.84 1.24 1.02 0.00 0.00 62 Q 8.89 3.97 0.00 2.25 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 63 V 8.07 3.54 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 0.99 0.00 0.00 1.01 0.00 0.00 64 L 7.91 3.95 0.00 1.85 1.90 0.98 0.96 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 65 E 8.49 4.00 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 2.33 2.51 0.00 66 T 8.45 3.90 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 67 L 8.22 4.01 0.00 1.87 1.77 0.69 0.96 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 68 R 8.11 4.00 0.00 1.87 2.01 0.00 3.35 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.83 0.00 69 K 8.11 3.93 0.00 1.76 2.11 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.51 7.81 70 R 7.89 4.43 0.00 1.93 2.05 0.00 3.33 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 71 Q 8.06 3.67 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 72 Y 8.15 4.14 0.00 3.05 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 73 S 7.93 4.47 0.00 3.67 3.70 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 74 G 5.38 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 0.00 0.00 0.00 75 I 8.52 4.55 2.01 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 1.23 0.54 0.92 0.00 0.00 76 I 9.66 5.07 1.97 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 1.37 1.10 0.96 0.00 0.00 77 I 8.62 4.78 1.82 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 1.20 1.06 0.80 0.00 0.00 78 I 8.64 4.68 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 1.35 1.18 1.11 0.00 0.00 79 V 8.74 4.64 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 0.57 0.00 0.00 0.92 0.00 0.00 80 S 8.32 4.79 0.00 3.83 3.60 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 81 A 8.89 3.93 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 82 K 8.13 4.35 0.00 1.94 1.08 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.42 7.81 *86 F 9.02 4.79 0.00 3.21 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 6.60 4.12 0.00 1.67 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 88 G 7.16 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.70 3.63 0.00 1.69 1.72 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.37 7.81 90 H 7.81 3.98 0.00 3.09 2.68 0.00 5.92 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 C 7.46 4.04 0.00 3.19 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 92 A 7.88 3.69 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 7.91 4.27 0.00 2.67 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 94 A 7.52 4.35 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 95 G 7.72 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 96 A 7.85 4.35 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 97 N 9.14 4.75 0.00 2.84 2.91 0.00 0.00 6.94 8.48 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 98 G 7.47 3.56 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 0.00 0.00 0.00 99 F 8.33 5.23 0.00 3.11 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 0.00 100 V 8.14 4.46 1.94 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 0.82 0.00 0.00 0.99 0.00 0.00 101 S 8.64 4.66 0.00 3.99 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 0.00 102 K 9.35 3.80 0.00 1.76 1.79 0.00 1.66 0.00 0.00 1.51 0.00 0.00 2.74 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.27 7.81 103 K 7.34 3.94 0.00 1.99 1.86 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.43 7.81 104 E 7.65 4.27 0.00 1.85 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 2.35 2.32 0.00 105 G 7.83 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 0.00 0.00 0.00 106 M 8.34 4.20 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.44 0.00 107 N 8.28 4.26 0.00 2.74 2.83 0.00 0.00 7.25 6.71 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 0.00 108 N 8.10 4.40 0.00 2.84 2.98 0.00 0.00 7.17 7.46 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 0.00 109 I 7.61 3.58 1.80 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 1.31 0.85 0.83 0.00 0.00 110 I 7.60 3.60 1.81 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 1.67 1.57 0.94 0.00 0.00 111 A 7.91 3.78 1.08 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 0.00 0.00 112 A 7.32 3.32 1.08 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 0.00 0.00 113 I 7.63 3.61 1.92 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 1.48 0.70 0.88 0.00 0.00 114 E 8.41 3.90 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 2.30 2.42 0.00 115 A 8.27 4.06 1.52 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 0.00 0.00 116 A 8.12 4.61 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 0.00 117 K 8.25 4.00 0.00 1.90 1.90 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.62 7.81 118 N 7.87 4.82 0.00 3.08 3.05 0.00 0.00 7.22 7.35 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 0.00 119 G 8.15 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.38 4.82 0.00 3.05 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 0.00 121 C 8.89 5.43 0.00 3.13 3.37 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 0.00 122 Y 8.58 4.65 0.00 3.02 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 0.00 123 F 8.53 5.34 0.00 2.98 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 0.00 124 P 0.00 4.44 0.00 2.14 2.14 0.00 3.93 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.41 0.00 125 F 8.73 4.93 0.00 2.93 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 0.00 126 S 7.66 4.47 0.00 3.65 3.73 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 0.00 127 L 8.26 3.79 0.00 1.96 1.72 1.22 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 128 N 7.89 4.59 0.00 2.83 2.90 0.00 0.00 6.35 7.66 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 0.00 129 R 7.05 3.69 0.00 1.25 0.66 0.00 2.90 0.00 0.00 2.70 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.26 0.00 130 F 7.91 4.91 0.00 3.17 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 0.00 131 V 7.57 4.06 2.28 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 1.04 0.00 0.00 1.03 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.