NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2974 8.3049 120.3423 55.2819 32.7186 175.3232 2 K 3.8324 8.2074 126.7679 55.4688 35.0438 175.8222 3 T 4.1272 8.3426 126.6781 62.8834 68.8612 175.7466 4 Y 4.2190 5.6646 119.4547 61.0119 38.8231 178.0820 5 V 3.4639 7.5887 118.1817 59.5548 32.4494 175.2417 6 P 4.6843 0.0000 0.0000 62.2575 33.2976 173.3699 7 K 4.5995 8.0819 116.7274 55.5514 35.4065 174.9492 8 Q 4.0280 8.7432 119.8784 57.0821 28.3157 176.1257 9 V 4.1408 8.0675 122.7822 61.0315 33.2560 175.1616 10 E 4.2669 8.5564 125.0409 54.2303 28.9990 174.3152 11 P 4.3299 0.0000 0.0000 63.6075 31.6279 175.1977 12 R 4.7726 8.7000 121.4304 54.6463 32.1197 175.3585 13 W 5.5124 8.9971 125.7452 55.6655 31.5070 175.8546 14 V 4.4851 8.1195 119.7123 62.0019 34.5109 173.0094 15 L 4.8342 8.2986 129.3129 54.8473 44.2783 175.0839 16 I 4.4623 7.7967 119.6522 60.2758 42.0588 172.3973 17 D 5.3799 8.8753 128.2323 52.1777 43.8816 175.7556 18 A 4.6852 8.5199 127.9898 52.1291 19.6825 178.5365 19 E 4.0606 9.4205 121.6786 60.9470 29.6022 178.5279 20 G 3.9941 7.9879 105.6776 44.7580 0.0000 172.7204 21 K 4.5476 9.0142 121.8335 54.6250 34.8669 175.8082 22 T 4.6083 8.3315 121.8271 62.9317 69.1272 174.3389 23 L 3.8989 8.2529 127.9096 57.2010 40.9964 177.0343 24 G 4.3826 9.2055 114.1231 46.1193 0.0000 176.3544 25 R 3.9774 7.4163 118.6741 57.8608 30.5179 178.5486 26 L 4.2290 7.8172 118.7989 57.3552 42.2968 177.8501 27 A 3.9759 8.1313 119.4813 56.0763 18.3411 178.6360 28 T 3.7901 8.5240 111.4360 65.4458 67.2159 176.0138 29 K 3.8327 7.9245 119.1277 59.8671 32.2839 179.1312 30 I 3.1581 7.8685 119.4406 64.4075 36.8203 178.3358 31 A 3.9428 8.1933 121.9532 55.2494 17.8319 179.8530 32 T 3.6582 7.5760 113.7655 66.5809 68.7915 176.5052 33 L 3.5852 8.6243 123.2383 57.9918 41.9042 179.0067 34 L 3.8345 7.7397 118.8496 57.0223 41.7372 177.9441 35 R 3.9500 7.7660 117.6323 56.1985 30.8508 177.2207 36 G 4.2850 8.2040 108.2526 45.1535 0.0000 175.0376 37 K 3.0428 6.5643 120.0200 56.5549 32.9860 176.4990 38 H 4.4635 7.8416 112.3730 56.1371 29.4011 174.9957 39 R 4.5936 7.5837 117.8540 53.3336 31.3765 174.8974 40 P 4.2574 0.0000 0.0000 65.0587 30.7266 176.4475 41 D 4.3540 7.5265 119.9332 51.3894 41.1836 172.4159 42 W 4.3128 8.1860 135.0000 57.1002 32.4002 175.4210 43 T 4.0287 8.3661 117.6357 61.4851 70.1303 172.1204 44 P 3.2612 0.0000 0.0000 64.1215 31.9410 176.7673 45 N 5.0802 7.3882 116.1715 51.0399 36.9564 174.2027 46 V 4.3631 7.6663 114.1670 61.7539 37.9847 172.7607 47 A 3.6860 8.2204 124.4320 52.4040 14.9847 176.2416 48 M 4.8736 7.8944 118.3629 52.3073 32.2422 176.1013 49 G 4.2558 7.6599 119.1806 45.4219 0.0000 171.3696 50 D 4.9414 8.0047 124.9635 52.2149 43.6431 175.9206 51 F 3.6744 9.1594 123.8845 57.7078 39.4019 174.6662 52 V 4.3570 8.2561 124.8258 61.9424 33.2839 175.1974 53 V 5.2227 9.0188 126.8011 59.9394 33.8795 174.1109 54 V 4.1358 8.3602 128.7420 62.6374 32.3349 175.1093 55 V 4.4412 8.9813 128.5718 61.4692 33.5232 174.9054 56 N 4.1460 8.7689 119.3902 54.6583 37.3711 175.2815 57 A 4.4451 8.5302 132.9467 50.6897 18.7219 177.0707 58 D 3.9109 9.5515 113.3400 56.3677 41.1660 175.3047 59 K 3.9721 8.4693 120.5713 58.9864 31.3235 175.6814 60 I 3.7727 9.6106 116.1225 59.6305 37.7161 175.9744 61 R 4.7065 9.1054 125.8282 55.4002 32.6665 176.1491 62 V 4.6386 7.9179 120.0687 60.8809 33.7256 174.2470 63 T 3.9660 8.8472 116.1299 61.2998 69.5863 174.6467 64 G 3.9582 8.2628 109.5593 46.1678 0.0000 172.8010 65 K 4.4136 8.1538 115.4815 56.7066 32.0683 178.7876 66 K 4.0621 7.8009 116.6986 57.9667 32.0469 176.8774 67 L 4.9266 8.8087 119.7647 50.5559 41.4318 175.8202 68 E 5.8289 7.4532 130.1337 56.9448 29.9173 177.7463 69 Q 4.4911 7.3506 115.3658 55.2301 32.7694 174.6226 70 K 4.2476 7.6285 120.5425 55.8172 33.4254 175.7387 71 I 4.9656 7.9134 126.8376 59.7488 41.0699 174.0108 72 Y 4.4594 9.2157 124.4690 56.6791 39.8594 174.6857 73 T 5.6187 8.4760 120.4109 61.0621 71.2269 173.8531 74 R 4.7302 8.6162 123.9018 54.4619 33.9612 173.5020 75 Y 5.0287 8.8269 124.8745 56.0527 40.9826 175.5905 76 S 4.0258 8.5860 122.8010 57.9823 62.7246 177.5498 77 G 2.9686 7.4097 113.1608 48.5212 0.0000 173.0102 78 Y 4.1198 8.0986 121.1693 56.8417 38.5608 175.2441 79 P 4.3097 0.0000 0.0000 64.1674 32.3686 176.6491 80 G 4.0479 8.8136 109.4968 46.8684 0.0000 172.9657 81 G 4.1919 7.8993 102.7601 45.7728 0.0000 172.0345 82 L 4.4697 8.3454 122.5200 55.8688 42.9168 176.1906 83 K 4.6187 9.2261 125.1438 54.6911 35.0732 175.4373 84 K 4.4053 8.7786 124.2576 54.7105 33.1193 174.1485 85 I 4.3520 8.5500 125.5896 59.0803 38.7375 174.0473 86 P 4.9190 0.0000 0.0000 61.8269 32.3636 176.9125 87 L 4.2389 8.5417 122.5218 59.0899 41.8502 179.1229 88 E 3.8925 8.3053 117.1573 59.9704 29.2255 179.4799 89 K 3.8521 8.0508 117.1142 60.0126 32.2807 178.6642 90 M 4.1268 7.8597 117.6901 58.4399 32.1674 178.6025 91 L 4.1636 8.2116 119.0572 57.6431 41.5715 179.3825 92 A 4.3035 8.2338 116.9516 49.8991 18.2204 176.4701 93 T 4.4158 7.7130 125.3725 64.8168 71.2601 171.9019 94 H 5.0039 8.4838 125.7509 56.6874 25.7427 175.2451 95 P 4.2965 0.0000 0.0000 65.7165 31.3845 177.7387 96 E 3.9273 8.2696 116.4017 58.7557 29.3687 179.3497 97 R 3.9240 8.4810 119.2267 59.8240 30.3582 179.3700 98 V 3.3017 7.1998 117.2416 65.5775 31.6739 177.4778 99 L 3.9781 7.8206 119.3266 57.6518 42.4583 178.2621 100 E 4.0025 8.0313 118.2371 59.2867 28.8075 178.1282 101 H 4.5767 9.5857 117.5320 57.4546 29.9010 176.6665 102 A 4.4340 7.4215 121.4360 54.7096 18.6005 179.0461 103 V 3.9009 7.8907 116.6388 65.2539 32.0047 177.7881 104 K 4.1784 8.2434 119.2565 59.3402 32.2139 179.0026 105 G 4.1261 7.4296 108.2172 44.9172 0.0000 173.4373 106 M 4.6773 7.5866 116.9799 55.6483 39.5917 175.9772 107 L 4.4003 7.6805 118.7376 52.8231 43.0174 174.7734 108 P 4.3459 0.0000 0.0000 63.1086 31.8731 177.2476 109 K 4.2778 8.4910 118.0890 57.2072 33.0285 177.9278 110 G 4.0063 7.5938 108.9285 44.3565 0.0000 171.7989 111 P 4.1655 0.0000 0.0000 65.8142 31.3924 178.2696 112 L 4.3347 8.0838 118.5267 57.9396 41.6571 178.2444 113 G 4.5200 7.4792 103.7203 45.0495 0.0000 174.0074 114 R 4.5343 8.3764 120.2871 56.4170 32.6881 177.9997 115 R 4.0471 7.9155 116.2976 58.7582 30.1993 178.2703 116 L 3.9665 7.9186 118.8400 58.0437 41.5092 179.0163 117 F 3.8593 8.0804 118.7227 61.3306 39.7047 176.8733 118 K 4.1111 7.7548 117.1706 59.5687 31.8878 180.1020 119 R 3.8896 8.2759 115.8789 56.3326 29.5959 176.5522 120 L 5.0892 7.8500 116.9952 53.8094 41.1225 177.9156 121 K 4.1085 8.0172 118.8149 57.0361 33.1679 178.0892 122 V 4.6625 8.0374 125.3424 61.8126 33.1684 174.6485 123 Y 4.5561 9.2128 123.4628 56.3661 42.5388 174.4544 124 A 5.0145 8.8760 125.0155 51.3298 18.6787 176.8248 125 G 3.9221 8.7088 109.6081 44.9886 0.0000 172.2251 126 P 4.5095 0.0000 0.0000 62.9804 31.7591 175.5701 127 D 4.6099 8.7993 114.3389 55.8727 36.7446 173.3938 128 H 4.2035 7.6601 117.0825 53.6195 30.0286 174.8091 129 P 4.2115 0.0000 0.0000 64.4549 32.2471 176.2606 130 H 4.3744 7.4297 118.6188 54.8859 27.6023 177.1053 131 Q 4.0546 7.4495 119.8494 56.1327 28.1525 174.1729 132 A 4.7498 8.2426 131.1751 52.4928 19.8226 169.8144 133 Q 3.4791 8.5584 128.0340 55.8112 30.3303 174.4720 134 R 4.7136 8.2064 120.4140 54.5468 32.6629 170.9409 135 P 4.3630 0.0000 0.0000 61.9641 32.0287 173.1292 136 E 4.0820 8.6448 122.9245 56.8237 30.0102 175.9575 137 K 4.4544 8.5382 126.6499 55.2141 34.2184 177.6967 138 L 4.3006 8.3183 125.6588 53.7833 40.5117 177.4465 *139 E 4.1515 8.1053 117.3849 55.8840 30.3597 176.3234 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 M 8.30 4.30 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 2 K 8.21 3.83 0.00 1.51 1.32 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.47 7.81 3 T 8.34 4.13 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 1.17 0.00 0.00 4 Y 5.66 4.22 0.00 2.95 3.12 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 5 V 7.59 3.46 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 0.73 0.00 0.00 0.95 0.00 0.00 6 P 0.00 4.68 0.00 2.26 2.21 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 7 K 8.08 4.60 0.00 1.73 1.77 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.45 7.81 8 Q 8.74 4.03 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 9 V 8.07 4.14 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 0.83 0.00 0.00 1.06 0.00 0.00 10 E 8.56 4.27 0.00 1.99 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 2.31 2.41 0.00 11 P 0.00 4.33 0.00 2.22 2.48 0.00 3.83 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 2.03 2.06 0.00 12 R 8.70 4.77 0.00 1.99 1.91 0.00 3.56 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 13 W 9.00 5.51 0.00 3.31 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 14 V 8.12 4.49 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 0.79 0.00 0.00 1.03 0.00 0.00 15 L 8.30 4.83 0.00 2.03 1.59 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.80 4.46 1.88 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 1.12 0.51 0.97 0.00 0.00 17 D 8.88 5.38 0.00 2.70 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 18 A 8.52 4.69 1.25 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 0.00 0.00 19 E 9.42 4.06 0.00 2.06 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 2.33 2.33 0.00 20 G 7.99 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 0.00 0.00 0.00 21 K 9.01 4.55 0.00 1.86 1.75 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.41 7.81 22 T 8.33 4.61 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 23 L 8.25 3.90 0.00 1.70 1.72 1.00 0.89 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 24 G 9.21 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 0.00 0.00 0.00 0.00 25 R 7.42 3.98 0.00 2.10 2.01 0.00 3.32 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 26 L 7.82 4.23 0.00 1.75 1.64 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.13 3.98 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 28 T 8.52 3.79 4.30 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 1.24 0.00 0.00 29 K 7.92 3.83 0.00 1.95 1.83 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.53 7.81 30 I 7.87 3.16 1.99 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 1.43 0.75 0.84 0.00 0.00 31 A 8.19 3.94 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 32 T 7.58 3.66 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 1.07 0.00 0.00 33 L 8.62 3.59 0.00 1.86 1.66 0.92 0.62 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 34 L 7.74 3.83 0.00 1.88 1.61 0.76 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.77 3.95 0.00 1.60 1.54 0.00 3.17 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 36 G 8.20 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 0.00 0.00 0.00 0.00 37 K 6.56 3.04 0.00 0.79 1.37 0.00 1.55 0.00 0.00 1.54 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.04 0.59 7.81 38 H 7.84 4.46 0.00 3.20 3.27 0.00 5.53 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 39 R 7.58 4.59 0.00 2.10 1.99 0.00 3.08 0.00 0.00 3.74 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 40 P 0.00 4.26 0.00 2.22 2.27 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 2.02 2.03 0.00 41 D 7.53 4.35 0.00 2.83 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 42 W 8.19 4.31 0.00 3.43 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 43 T 8.37 4.03 4.20 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 1.10 0.00 0.00 44 P 0.00 3.26 0.00 1.83 1.58 0.00 2.78 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.42 0.00 45 N 7.39 5.08 0.00 2.76 2.75 0.00 0.00 6.73 7.15 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 46 V 7.67 4.36 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 0.80 0.00 0.00 0.95 0.00 0.00 47 A 8.22 3.69 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 48 M 7.89 4.87 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.68 0.00 49 G 7.66 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 0.00 0.00 0.00 0.00 50 D 8.00 4.94 0.00 2.65 2.52 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 51 F 9.16 3.67 0.00 1.51 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 52 V 8.26 4.36 1.96 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 0.87 0.00 0.00 0.89 0.00 0.00 53 V 9.02 5.22 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 1.29 0.00 0.00 1.31 0.00 0.00 54 V 8.36 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 1.03 0.00 0.00 0.92 0.00 0.00 55 V 8.98 4.44 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 0.83 0.00 0.00 1.05 0.00 0.00 56 N 8.77 4.15 0.00 2.92 2.79 0.00 0.00 6.99 7.96 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 57 A 8.53 4.45 1.26 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 0.00 0.00 58 D 9.55 3.91 0.00 2.91 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 59 K 8.47 3.97 0.00 2.04 2.14 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.40 7.81 60 I 9.61 3.77 1.89 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 1.24 0.69 0.97 0.00 0.00 61 R 9.11 4.71 0.00 1.73 1.84 0.00 3.31 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 62 V 7.92 4.64 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 0.69 0.00 0.00 0.96 0.00 0.00 63 T 8.85 3.97 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 1.22 0.00 0.00 64 G 8.26 3.96 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 0.00 65 K 8.15 4.41 0.00 1.83 1.82 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.46 7.81 66 K 7.80 4.06 0.00 1.88 1.85 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.63 7.81 67 L 8.81 4.93 0.00 1.61 1.60 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 68 E 7.45 5.83 0.00 2.07 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 2.46 2.00 0.00 69 Q 7.35 4.49 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 70 K 7.63 4.25 0.00 1.82 1.74 0.00 1.24 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.35 0.96 7.81 71 I 7.91 4.97 1.79 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 0.74 0.90 0.00 0.00 72 Y 9.22 4.46 0.00 3.00 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 73 T 8.48 5.62 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 74 R 8.62 4.73 0.00 1.75 1.81 0.00 3.08 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 75 Y 8.83 5.03 0.00 2.87 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 76 S 8.59 4.03 0.00 3.87 3.93 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 77 G 7.41 2.97 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 78 Y 8.10 4.12 0.00 2.89 2.98 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 79 P 0.00 4.31 0.00 2.11 2.05 0.00 3.97 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 80 G 8.81 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 81 G 7.90 4.19 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 0.00 0.00 0.00 82 L 8.35 4.47 0.00 1.72 1.66 1.01 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 83 K 9.23 4.62 0.00 1.71 1.69 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.68 1.54 7.81 84 K 8.78 4.41 0.00 1.62 1.76 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.44 7.81 85 I 8.55 4.35 1.99 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 1.26 0.62 0.94 0.00 0.00 86 P 0.00 4.92 0.00 2.22 2.00 0.00 3.66 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 87 L 8.54 4.24 0.00 1.90 1.77 1.03 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.31 3.89 0.00 2.07 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 2.44 2.45 0.00 89 K 8.05 3.85 0.00 1.86 1.91 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.51 7.81 90 M 7.86 4.13 0.00 1.75 2.18 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 1.49 2.48 0.00 91 L 8.21 4.16 0.00 1.84 1.71 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.23 4.30 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 93 T 7.71 4.42 4.20 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 1.29 0.00 0.00 94 H 8.48 5.00 0.00 3.36 3.45 0.00 5.97 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.30 0.00 2.20 2.44 0.00 3.68 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 96 E 8.27 3.93 0.00 2.03 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 2.32 2.22 0.00 97 R 8.48 3.92 0.00 1.88 1.92 0.00 3.07 0.00 0.00 3.01 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 98 V 7.20 3.30 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 1.06 0.00 0.00 0.84 0.00 0.00 99 L 7.82 3.98 0.00 1.72 1.62 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.03 4.00 0.00 2.33 2.19 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 2.15 2.41 0.00 101 H 9.59 4.58 0.00 3.26 3.36 0.00 5.58 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.42 4.43 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 0.00 103 V 7.89 3.90 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 1.00 0.00 0.00 0.97 0.00 0.00 104 K 8.24 4.18 0.00 2.10 1.77 0.00 1.19 0.00 0.00 1.40 0.00 0.00 2.74 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.27 0.96 7.81 105 G 7.43 4.13 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 0.00 106 M 7.59 4.68 0.00 1.93 2.29 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.49 0.00 107 L 7.68 4.40 0.00 1.70 1.62 1.08 0.90 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 0.00 108 P 0.00 4.35 0.00 2.20 2.04 0.00 3.62 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 2.21 0.00 109 K 8.49 4.28 0.00 1.74 1.84 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.42 7.81 110 G 7.59 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 0.00 0.00 0.00 111 P 0.00 4.17 0.00 2.17 2.11 0.00 3.61 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 2.11 2.14 0.00 112 L 8.08 4.33 0.00 1.71 1.69 0.98 1.09 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 0.00 113 G 7.48 4.52 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 0.00 114 R 8.38 4.53 0.00 1.96 1.89 0.00 3.08 0.00 0.00 3.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 115 R 7.92 4.05 0.00 1.81 1.95 0.00 3.38 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 116 L 7.92 3.97 0.00 1.74 1.64 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.08 3.86 0.00 2.91 3.21 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 0.00 118 K 7.75 4.11 0.00 2.05 1.91 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.74 7.81 119 R 8.28 3.89 0.00 1.31 0.85 0.00 2.21 0.00 0.00 2.57 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.23 0.00 120 L 7.85 5.09 0.00 1.24 1.30 0.38 0.67 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 0.00 121 K 8.02 4.11 0.00 2.05 2.37 0.00 1.72 0.00 0.00 1.54 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.66 1.65 7.81 122 V 8.04 4.66 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 0.76 0.00 0.00 0.87 0.00 0.00 123 Y 9.21 4.56 0.00 3.02 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 0.00 124 A 8.88 5.01 1.28 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 0.00 0.00 125 G 8.71 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 0.00 126 P 0.00 4.51 0.00 2.21 2.16 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 127 D 8.80 4.61 0.00 2.74 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 H 7.66 4.20 0.00 3.01 3.15 0.00 5.52 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.21 0.00 2.02 2.04 0.00 2.65 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.69 0.00 130 H 7.43 4.37 0.00 3.07 2.84 0.00 5.89 0.00 0.00 0.00 0.00 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 7.45 4.05 0.00 1.82 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.44 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 132 A 8.24 4.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 8.56 3.48 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.19 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 134 R 8.21 4.71 0.00 1.66 1.85 0.00 3.36 0.00 0.00 3.20 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.59 0.00 135 P 0.00 4.36 0.00 2.11 2.08 0.00 3.96 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 2.18 2.15 0.00 136 E 8.64 4.08 0.00 1.99 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 2.32 2.33 0.00 137 K 8.54 4.45 0.00 1.72 1.72 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.68 7.81 138 L 8.32 4.30 0.00 1.62 1.62 0.92 0.91 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 *139 E 8.11 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.