NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.8386 8.2033 115.6702 58.2195 30.9208 175.0709 2 D 4.3909 8.1813 120.5080 56.2588 40.9332 176.6678 3 A 3.7656 8.6944 122.6493 53.9173 19.6350 177.8957 4 F 4.5148 7.6838 113.3402 58.3096 39.7495 176.8260 5 V 3.8515 7.4188 120.8397 62.6601 31.8555 175.9484 6 G 3.8903 7.7231 113.0640 44.1339 0.0000 171.1923 7 T 4.8769 7.5896 116.0947 61.4859 71.0702 174.0759 8 W 5.4697 9.1996 125.0876 54.8976 33.4546 174.3476 9 K 4.9533 9.1294 122.9572 54.4004 34.2958 175.6425 10 L 3.8092 8.0228 125.7092 55.0702 42.0374 176.9167 11 V 4.5182 8.5425 123.8752 61.7840 33.7365 175.4918 12 S 4.6521 7.5884 113.8073 57.4164 66.3904 173.3222 13 S 4.9132 8.2026 114.9181 57.3143 65.3419 173.0382 14 E 4.5660 8.7778 125.9394 55.2461 33.7629 175.6905 15 N 4.6282 9.0553 119.4254 54.4685 36.6800 176.2593 16 F 4.7410 8.2799 123.3920 61.0891 39.4502 176.1311 17 D 4.1294 8.1929 117.2140 57.5165 41.0299 177.8589 18 D 4.3147 8.0600 118.7914 57.3672 40.8591 177.9671 19 Y 4.0355 7.9319 119.5921 61.0670 38.8049 177.9185 20 M 3.6315 7.9987 119.8914 58.1318 32.0955 178.5698 21 K 3.7933 8.0412 119.7423 59.6241 32.0824 178.6644 22 E 3.9479 7.6356 117.5418 59.4521 29.5286 179.4085 23 V 3.9780 7.2379 110.3576 62.3978 31.6073 176.9087 24 G 3.9228 7.6765 106.5563 45.5616 0.0000 173.6567 25 V 3.8058 7.7042 119.7970 61.4547 32.3020 176.7317 26 G 3.8075 8.6220 113.5813 44.5033 0.0000 173.6981 27 F 3.9027 8.9838 126.1671 61.3967 39.4980 177.3465 28 A 4.3079 8.3486 119.5527 55.7086 18.3139 179.6331 29 T 3.9790 7.9554 107.4615 64.8258 68.9143 176.3254 30 R 3.7089 8.1796 121.9054 59.1240 29.8792 178.6803 31 K 3.8555 7.6595 118.2420 59.2379 31.8856 179.5741 32 V 3.6198 7.6084 116.9326 65.6985 31.9097 177.5429 33 A 3.4568 8.0118 121.3334 54.7379 17.9352 179.9070 34 G 3.7068 7.7096 102.9948 47.7433 0.0000 175.0046 35 M 4.2665 7.6290 117.9564 55.0469 32.6766 176.1692 36 A 4.4926 7.1740 122.7007 51.3032 19.8768 177.9187 37 K 4.4511 8.1480 121.2392 53.2921 32.7243 174.2276 38 P 4.7856 0.0000 0.0000 62.9163 33.2246 175.5937 39 N 5.7528 9.1134 118.3373 50.3598 40.2381 172.2988 40 M 4.4878 8.6944 123.2865 55.4664 33.8649 174.4899 41 I 4.9804 9.6237 128.7770 59.8403 39.7137 174.4736 42 I 4.8380 8.6522 128.8118 60.4079 39.0479 175.2828 43 S 4.9674 9.0589 119.7155 57.1174 66.4052 172.6510 44 V 4.7540 8.1515 122.1741 61.4155 34.9871 175.1385 45 N 4.6755 9.1137 125.4731 52.9571 40.6975 174.7940 46 G 3.8938 8.2104 118.2987 46.7346 0.0000 172.3552 47 D 4.5495 8.7340 124.7403 53.0500 39.8277 175.4222 48 L 4.5460 7.6336 123.3305 53.7022 43.9673 175.0071 49 V 4.3890 8.3970 127.1648 61.3014 33.7841 174.2429 50 T 4.9095 8.8604 122.0234 60.3236 70.6933 172.3071 51 I 4.7395 8.8965 130.1851 59.8542 39.3566 174.3911 52 R 4.9770 9.0580 129.2653 54.5922 32.1697 174.5520 53 S 5.2162 9.1156 121.8572 56.5638 64.9379 172.3049 54 E 5.0470 8.7335 126.1752 54.7457 32.0746 175.0674 55 S 5.0733 8.5647 117.9349 56.8442 65.8681 173.9504 56 T 4.1365 8.7346 118.3931 65.6698 68.6581 176.3924 57 F 4.5057 8.2199 123.6764 59.3120 39.6988 175.3020 58 K 4.0585 7.5088 115.6443 55.4003 34.6474 173.5712 59 N 5.0873 8.8779 124.3701 52.7232 39.2711 174.4796 60 T 4.7982 8.7136 114.2278 59.9599 72.4077 172.9106 61 E 5.1954 8.5906 123.2378 54.9144 32.8603 174.0769 62 I 4.7728 8.7206 119.7411 59.2131 40.7657 174.3981 63 S 5.1610 8.5441 121.3511 56.8013 65.7302 173.0333 64 F 4.5410 8.3930 117.8122 56.1487 41.4052 172.6382 65 K 5.0138 8.4087 118.0745 54.2502 34.3223 176.7808 66 L 4.3259 8.5420 123.1197 56.0448 42.2002 178.3118 67 G 3.9984 9.0937 109.9312 45.8438 0.0000 173.4814 68 V 4.3075 7.2965 118.2823 60.2915 32.8696 174.8470 69 E 4.4982 8.9028 128.8238 57.0360 30.1293 175.6819 70 F 5.1590 9.2955 120.2816 55.5009 42.1954 172.7670 71 D 5.2023 8.8070 119.1358 53.4399 42.1460 175.8268 72 E 4.7237 8.8468 122.5807 54.7724 33.7940 174.0144 73 I 4.8069 8.3006 127.1562 59.5109 38.5944 175.5950 74 T 4.0281 8.5837 118.0957 60.8985 69.4120 175.4692 75 A 4.0008 8.5914 124.7971 55.4035 18.3986 178.1903 76 D 4.7774 8.1060 112.6363 53.5067 39.3500 175.8987 77 D 4.4329 7.8128 116.8187 55.8734 38.9447 174.0147 78 R 4.0961 7.7052 118.0001 55.3544 30.9299 175.5991 79 K 4.7484 8.3724 123.1400 55.2705 33.1878 175.4533 80 V 4.7660 8.6990 120.5634 59.4785 36.3545 174.6977 81 K 4.7274 9.0350 121.4284 55.0760 33.9336 176.1364 82 S 5.2804 8.4237 121.1167 55.8613 66.9341 173.3829 83 I 4.7672 7.7922 121.5071 60.0682 41.3244 173.1570 84 I 5.0418 8.6466 130.2647 59.7407 39.7371 174.7281 85 T 4.8576 8.8455 116.1500 59.9688 72.6417 172.9510 86 L 4.8259 8.5355 125.2641 53.5384 41.6325 173.1390 87 D 4.7758 9.0213 123.4558 52.7444 42.7357 176.6428 88 G 4.1168 9.6790 116.0125 46.7686 0.0000 174.2944 89 G 3.9483 8.6287 105.4924 45.0314 0.0000 173.7471 90 A 5.0857 7.7372 121.5944 49.6743 22.4530 175.8842 91 L 4.3262 8.4010 123.6524 54.8989 42.9689 176.0299 92 V 4.4067 9.1419 128.7103 61.3276 33.2908 173.9350 93 Q 5.0656 8.8476 130.5316 54.1946 31.5078 174.3784 94 V 4.9640 8.3665 125.6398 60.0016 34.4434 174.2827 95 Q 5.0367 9.4434 124.5257 54.1364 30.9655 174.5334 96 K 5.3403 8.9436 124.6682 54.4509 35.0245 175.4872 97 W 4.9438 9.0873 118.7049 56.4313 31.8077 174.3246 98 D 4.3568 9.9338 122.3227 55.4006 37.9920 175.2596 99 G 3.8357 8.0529 105.7832 45.6953 0.0000 174.3836 100 K 3.9616 7.2071 119.7665 55.6839 33.1521 175.5594 101 S 5.1232 7.5816 113.3748 57.8414 65.1899 173.2729 102 T 5.1813 9.5104 121.8588 60.4800 70.8502 172.3760 103 T 5.1196 8.6452 116.2802 59.9337 71.7484 173.3702 104 I 4.5504 9.3940 126.0968 59.5711 40.2231 174.1359 105 K 4.7592 9.1462 129.8314 54.9180 34.2778 175.3845 106 R 5.0458 8.8757 126.2853 54.3154 32.8520 174.6469 107 K 5.1806 8.9903 123.1836 55.0540 36.4140 175.3873 108 R 4.5986 8.4823 120.5784 55.3970 31.4890 176.4624 109 D 4.5655 8.5644 122.4336 52.7085 42.7279 176.1691 110 G 4.0488 8.0781 118.3505 46.4330 0.0000 171.7743 111 D 4.7963 8.8735 124.5534 52.9050 39.8391 175.7972 112 K 4.9134 7.7330 119.7886 55.0507 35.6550 175.1786 113 L 4.3712 8.7345 123.7814 53.3857 44.2805 175.0796 114 V 4.4934 8.6849 128.0474 61.7170 33.2986 174.6263 115 V 4.7743 8.8411 128.6735 61.5371 33.5684 174.6132 116 E 5.2672 8.8297 127.7228 53.7080 33.2839 174.8924 *118 V 4.4036 7.9908 118.7165 63.6123 33.0943 174.6648 119 M 4.3628 9.0674 127.2623 55.3045 33.7570 174.5954 120 K 3.7152 9.7177 128.6675 57.3402 29.6124 174.4696 121 G 4.3542 8.2571 111.5437 45.5978 0.0000 173.5247 122 V 3.7329 7.5785 119.9128 63.0062 32.0482 174.3973 123 T 4.9409 8.4033 122.5484 61.8373 71.6854 172.9257 124 S 5.0182 8.5809 120.5757 56.8541 65.3416 172.5671 125 T 4.9795 8.8334 122.9133 61.8699 71.6595 173.0237 126 R 5.2338 8.7400 125.2936 53.2807 33.5724 174.7098 127 V 4.7731 7.8295 123.8595 61.5962 33.8178 174.1885 128 Y 5.8736 9.1795 123.8961 55.5648 42.3112 174.0446 129 E 5.3921 8.9289 116.5773 54.9805 33.1352 174.6044 130 R 3.7344 8.8764 120.0307 56.9675 30.6778 176.3398 131 A 4.2060 8.3126 124.5867 52.1729 18.0729 177.1136 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 1 C 8.20 4.84 0.00 3.31 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.18 4.39 0.00 2.92 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 3 A 8.69 3.77 0.96 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 0.00 0.00 4 F 7.68 4.51 0.00 3.07 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 V 7.42 3.85 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 0.77 0.00 0.00 1.01 0.00 0.00 6 G 7.72 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.59 4.88 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 1.20 0.00 0.00 8 W 9.20 5.47 0.00 3.27 3.25 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 0.00 9 K 9.13 4.95 0.00 1.76 1.73 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.40 7.81 10 L 8.02 3.81 0.00 1.34 1.37 0.27 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.54 4.52 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 0.77 0.00 0.00 0.91 0.00 0.00 12 S 7.59 4.65 0.00 3.82 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.20 4.91 0.00 3.66 3.64 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 14 E 8.78 4.57 0.00 1.91 1.77 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 2.20 2.24 0.00 15 N 9.06 4.63 0.00 3.10 2.94 0.00 0.00 6.79 8.13 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 16 F 8.28 4.74 0.00 3.02 3.07 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 0.00 0.00 0.00 17 D 8.19 4.13 0.00 2.78 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 18 D 8.06 4.31 0.00 2.94 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 Y 7.93 4.04 0.00 3.15 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 20 M 8.00 3.63 0.00 1.77 1.73 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.05 0.00 21 K 8.04 3.79 0.00 1.82 1.96 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.47 7.81 22 E 7.64 3.95 0.00 2.08 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 0.00 2.53 2.50 0.00 23 V 7.24 3.98 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 0.14 0.00 0.00 0.75 0.00 0.00 24 G 7.68 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 25 V 7.70 3.81 2.03 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 0.70 0.00 0.00 0.82 0.00 0.00 26 G 8.62 3.81 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 0.00 27 F 8.98 3.90 0.00 3.05 3.08 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 28 A 8.35 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.96 3.98 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 30 R 8.18 3.71 0.00 2.02 1.82 0.00 3.03 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 31 K 7.66 3.86 0.00 1.78 1.72 0.00 1.43 0.00 0.00 1.23 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.30 7.81 32 V 7.61 3.62 2.30 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 1.09 0.00 0.00 1.04 0.00 0.00 33 A 8.01 3.46 0.73 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 0.00 0.00 34 G 7.71 3.71 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 0.00 0.00 0.00 35 M 7.63 4.27 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.54 0.00 36 A 7.17 4.49 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 37 K 8.15 4.45 0.00 1.71 1.70 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.31 7.81 38 P 0.00 4.79 0.00 2.26 2.29 0.00 3.58 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.07 0.00 39 N 9.11 5.75 0.00 2.76 2.84 0.00 0.00 6.57 7.93 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 40 M 8.69 4.49 0.00 1.87 1.72 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 41 I 9.62 4.98 1.92 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 1.28 0.95 0.99 0.00 0.00 42 I 8.65 4.84 2.32 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 1.15 0.75 1.00 0.00 0.00 43 S 9.06 4.97 0.00 3.84 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.15 4.75 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 0.80 0.00 0.00 0.92 0.00 0.00 45 N 9.11 4.68 0.00 2.65 2.57 0.00 0.00 7.11 7.85 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 46 G 8.21 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.73 4.55 0.00 2.77 2.75 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 48 L 7.63 4.55 0.00 1.69 1.58 0.83 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.40 4.39 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 0.62 0.00 0.00 0.68 0.00 0.00 50 T 8.86 4.91 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 51 I 8.90 4.74 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.24 0.93 0.00 0.00 52 R 9.06 4.98 0.00 1.88 1.81 0.00 3.07 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 53 S 9.12 5.22 0.00 3.96 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 54 E 8.73 5.05 0.00 1.97 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 2.24 2.25 0.00 55 S 8.56 5.07 0.00 3.93 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 56 T 8.73 4.14 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 57 F 8.22 4.51 0.00 2.98 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 58 K 7.51 4.06 0.00 1.06 1.33 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.15 1.22 7.81 59 N 8.88 5.09 0.00 2.65 2.77 0.00 0.00 6.85 7.54 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 60 T 8.71 4.80 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 61 E 8.59 5.20 0.00 1.97 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 2.21 2.32 0.00 62 I 8.72 4.77 2.05 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.77 1.12 0.00 0.00 63 S 8.54 5.16 0.00 3.67 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 64 F 8.39 4.54 0.00 2.43 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 0.00 0.00 0.00 65 K 8.41 5.01 0.00 1.67 1.76 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.70 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.39 7.81 66 L 8.54 4.33 0.00 1.76 1.65 0.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 67 G 9.09 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.30 4.31 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 0.87 0.00 0.00 1.04 0.00 0.00 69 E 8.90 4.50 0.00 2.05 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 2.26 2.28 0.00 70 F 9.30 5.16 0.00 3.06 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 71 D 8.81 5.20 0.00 2.65 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 72 E 8.85 4.72 0.00 2.03 1.55 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 2.18 2.36 0.00 73 I 8.30 4.81 1.87 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 1.41 1.03 0.89 0.00 0.00 74 T 8.58 4.03 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 1.01 0.00 0.00 75 A 8.59 4.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.11 4.78 0.00 2.82 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 77 D 7.81 4.43 0.00 2.86 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 78 R 7.71 4.10 0.00 1.50 1.28 0.00 2.21 0.00 0.00 2.76 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.46 0.00 79 K 8.37 4.75 0.00 1.74 1.74 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.44 7.81 80 V 8.70 4.77 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 0.27 0.00 0.00 0.75 0.00 0.00 81 K 9.03 4.73 0.00 1.74 1.65 0.00 1.58 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.53 7.81 82 S 8.42 5.28 0.00 2.72 2.99 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 83 I 7.79 4.77 1.85 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 1.36 1.33 0.88 0.00 0.00 84 I 8.65 5.04 1.56 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 1.18 0.43 0.84 0.00 0.00 85 T 8.85 4.86 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 1.23 0.00 0.00 86 L 8.54 4.83 0.00 1.68 1.66 1.03 1.20 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 87 D 9.02 4.78 0.00 2.71 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 9.68 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 0.00 0.00 0.00 89 G 8.63 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 90 A 7.74 5.09 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 91 L 8.40 4.33 0.00 1.09 1.24 0.60 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 92 V 9.14 4.41 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 0.93 0.00 0.00 0.94 0.00 0.00 93 Q 8.85 5.07 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.52 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 94 V 8.37 4.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.95 0.00 0.00 95 Q 9.44 5.04 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 96 K 8.94 5.34 0.00 1.69 1.71 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.37 7.81 97 W 9.09 4.94 0.00 3.50 3.15 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 98 D 9.93 4.36 0.00 2.51 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.05 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 0.00 100 K 7.21 3.96 0.00 0.79 0.74 0.00 1.37 0.00 0.00 1.37 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 0.94 7.81 101 S 7.58 5.12 0.00 3.77 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.51 5.18 4.62 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 1.46 0.00 0.00 103 T 8.65 5.12 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 0.00 104 I 9.39 4.55 1.83 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 1.12 0.73 0.85 0.00 0.00 105 K 9.15 4.76 0.00 1.76 1.63 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.38 7.81 106 R 8.88 5.05 0.00 1.45 1.62 0.00 2.91 0.00 0.00 3.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.39 0.00 107 K 8.99 5.18 0.00 1.82 1.91 0.00 1.31 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.39 7.81 108 R 8.48 4.60 0.00 1.49 1.74 0.00 2.99 0.00 0.00 2.68 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.06 0.00 109 D 8.56 4.57 0.00 2.71 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.08 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 0.00 111 D 8.87 4.80 0.00 2.86 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 0.00 112 K 7.73 4.91 0.00 1.77 1.78 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.79 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.41 1.53 7.81 113 L 8.73 4.37 0.00 0.50 1.12 0.67 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.68 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 0.85 0.00 0.00 0.93 0.00 0.00 115 V 8.84 4.77 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 0.90 0.00 0.00 0.83 0.00 0.00 116 E 8.83 5.27 0.00 1.89 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 2.20 2.04 0.00 *118 V 7.99 4.40 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.94 0.00 0.00 119 M 9.07 4.36 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.85 0.00 120 K 9.72 3.72 0.00 1.92 1.82 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.39 7.81 121 G 8.26 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 0.00 0.00 0.00 0.00 122 V 7.58 3.73 2.32 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 1.11 0.00 0.00 0.97 0.00 0.00 123 T 8.40 4.94 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 1.20 0.00 0.00 124 S 8.58 5.02 0.00 4.16 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 T 8.83 4.98 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 1.19 0.00 0.00 126 R 8.74 5.23 0.00 1.72 1.51 0.00 2.21 0.00 0.00 2.86 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.15 0.00 127 V 7.83 4.77 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 1.00 0.00 0.00 0.92 0.00 0.00 128 Y 9.18 5.87 0.00 2.90 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 0.00 129 E 8.93 5.39 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 130 R 8.88 3.73 0.00 1.50 1.60 0.00 2.99 0.00 0.00 2.90 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 131 A 8.31 4.21 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 * Residues marked with a * may have inaccurate shift predictions.