NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2951 8.1749 110.9358 61.5327 70.7377 174.2917 4 I 3.8451 7.7033 122.9232 60.4342 37.6216 173.8789 5 R 4.5484 9.8118 127.4528 54.3515 33.3111 175.0489 6 R 4.7788 8.3197 121.8379 54.8889 32.3876 174.6788 7 Y 4.6015 9.2652 122.5047 56.2115 40.8767 175.2112 8 D 4.3776 8.5877 117.6271 55.3458 39.6145 173.8764 9 V 3.8773 7.7824 117.1955 62.5619 32.6575 174.4001 10 N 4.7716 8.9018 126.2394 51.6566 39.0710 174.8762 11 E 4.0225 8.6915 126.4471 59.4578 29.9421 178.7282 12 D 4.4959 8.1462 117.5317 57.0713 41.0923 177.6247 13 R 4.0957 8.3919 116.7021 56.2536 30.7475 176.2460 14 G 3.8523 8.0754 105.7859 46.4161 0.0000 172.4739 15 H 5.0965 7.5304 112.2464 54.1693 33.0495 172.6918 16 T 4.7932 8.4408 115.6149 61.7502 69.9806 175.0258 17 G 3.7345 8.8607 114.1259 48.4204 0.0000 173.3384 18 L 5.2066 8.3557 123.4300 53.7363 45.7238 174.8906 19 V 4.8297 9.2951 127.8282 61.3929 33.5246 173.9464 20 E 4.5482 9.4118 130.0633 55.0743 31.2024 174.6854 21 A 4.6506 8.9116 129.2334 49.4584 21.8126 176.2717 22 G 3.6583 8.8141 113.3100 48.1492 0.0000 173.7282 23 D 4.6388 8.6780 124.4359 53.4648 41.2078 175.1119 24 F 5.2623 8.0502 119.0570 55.9784 42.0336 174.4091 25 Y 5.2033 9.0263 119.1162 56.6238 41.5264 173.9203 26 Y 4.8175 9.6849 123.2153 56.3129 40.1683 174.7826 27 L 4.9985 8.7619 125.1304 53.3711 43.3990 176.3389 28 N 4.8993 8.7702 123.0916 53.0841 39.9372 173.8883 29 Y 4.4563 8.5883 120.0967 58.0901 38.5616 175.4320 30 C 4.9606 9.6438 120.7803 57.9563 31.1198 173.3525 31 V 4.7142 8.1356 121.8999 60.5660 34.1282 174.0967 32 G 3.9739 8.8965 109.7939 45.5933 0.0000 172.1165 33 N 4.2543 8.5873 113.3827 53.7926 36.1801 175.0791 34 V 3.7376 7.6530 116.0382 64.2850 32.0784 175.9991 35 G 3.9941 8.9719 114.0328 45.2429 0.0000 173.1962 36 Q 4.3284 7.3513 118.2848 53.9896 30.7734 175.0738 37 D 4.6217 8.1930 119.3469 53.1271 41.3218 177.0939 38 I 3.6211 8.1960 118.8014 64.2623 37.9409 177.0942 39 E 3.8503 8.1634 119.5598 59.5889 29.4586 178.8640 40 S 4.1281 8.5519 115.1151 61.7040 62.8023 176.7410 41 Q 4.5457 7.9441 121.9833 58.1057 28.3404 178.8091 42 I 2.8431 7.4430 120.9928 64.1316 37.0383 177.9669 43 N 4.4641 8.0950 117.4323 56.5344 38.3898 177.7114 44 G 3.6300 8.5830 106.9938 47.5999 0.0000 175.7086 45 A 4.0229 7.9319 122.3707 55.1007 18.5467 179.4216 46 F 4.7828 7.9334 115.3038 60.8778 39.2471 177.1993 47 D 4.6179 8.6787 119.0687 57.2718 40.6279 179.3124 48 E 4.2095 8.0741 117.6997 56.7238 29.4591 178.2420 *50 E 4.2049 8.1796 118.8272 55.9037 31.6939 178.2412 51 R 3.8317 8.0757 117.4272 59.5725 30.3420 178.5372 52 R 4.0432 7.9848 117.7662 59.2954 30.0181 179.1068 53 L 3.8439 7.8485 118.0602 57.5987 41.6636 179.2229 54 A 3.9081 8.2393 120.7631 54.7129 17.9913 179.4969 55 L 3.9849 7.3730 116.6881 56.9092 41.5444 178.4319 56 V 4.0674 7.0520 110.0023 60.5164 32.1234 175.5599 57 G 3.7805 7.7972 106.3472 46.5427 0.0000 174.2456 58 L 4.4736 7.5916 119.1121 52.7801 44.0774 175.1075 59 T 4.6111 7.5331 108.3947 59.8140 72.1627 174.4510 60 L 3.8444 8.1612 119.6485 57.7614 41.5556 179.3988 61 D 4.3278 7.5528 117.8964 56.9598 40.9279 177.3752 62 A 4.2667 8.0423 120.5508 52.7120 19.2175 177.0123 63 V 4.1944 7.5545 116.5693 62.9471 31.9897 175.9133 64 V 4.2822 8.9573 120.7545 62.5428 33.7388 175.0892 65 Q 5.6433 7.5971 119.6259 56.0553 33.0850 172.2003 *67 D 4.8212 8.4620 119.0281 54.4467 42.6516 174.5955 68 C 4.7478 9.0250 121.9372 58.0979 30.3906 172.7054 69 L 5.0611 8.4524 124.9252 53.0630 43.4513 175.6170 70 F 5.5114 9.2252 123.0498 55.6638 41.6820 176.7791 71 R 4.1584 9.2897 123.1812 58.0902 31.0349 175.7453 72 D 4.9928 8.3153 118.1857 51.5567 42.7956 176.0593 73 V 3.2059 9.0650 128.6897 63.6597 31.1392 177.6092 74 W 4.2568 8.1188 118.6028 58.2939 29.2509 176.8312 75 N 4.6612 8.1337 116.4418 53.5606 37.8384 176.4759 76 I 3.5876 6.7963 122.4879 64.3632 37.6734 175.8020 77 P 4.4305 0.0000 0.0000 65.3367 30.7972 178.9556 78 V 3.6586 7.3250 113.5115 63.6626 31.0362 176.3773 *80 E 4.3537 8.2681 119.7942 55.9587 31.3072 178.3249 81 K 3.7179 7.8372 115.4124 57.7075 32.1689 178.0060 *83 I 4.3345 7.8436 119.6920 61.1357 38.7646 178.0477 84 K 4.2420 8.1491 119.6001 59.5067 31.5478 179.2437 85 E 3.9145 8.0627 117.6809 59.5728 29.5732 179.1138 86 R 4.2347 8.0579 115.2899 57.7877 31.1443 177.9177 87 F 4.1358 8.9670 116.6545 56.7805 40.4765 174.8190 88 N 4.0851 8.5839 114.4865 54.4049 36.9644 174.2216 89 G 3.5986 7.9033 106.5795 45.0268 0.0000 171.6986 90 R 4.1359 7.0286 117.6327 54.5385 31.0556 174.4508 91 Y 4.8353 7.8358 120.2126 55.3301 40.3523 174.2298 92 P 4.7908 0.0000 0.0000 61.7553 33.3512 175.4241 93 A 4.3946 8.5222 122.3037 52.3095 19.4167 176.8386 94 R 4.9936 8.2759 116.1644 55.1802 33.0153 173.8237 95 K 4.7934 8.4759 116.7811 55.6518 36.2478 175.0082 96 S 5.5043 8.6909 116.7541 56.8767 66.1493 173.4823 97 I 4.7385 8.8918 116.1675 59.2181 41.2460 173.6631 98 Q 5.0307 8.5659 124.8538 55.4450 30.1116 174.4646 99 T 4.5435 8.6217 119.6380 60.7137 71.2756 172.9457 100 E 3.8936 8.4800 125.6268 56.1393 30.3117 176.2559 101 F 4.9549 8.0797 118.4130 55.6158 42.4146 175.3469 102 A 4.4468 8.4059 124.3464 51.8174 17.9549 177.1011 103 H 4.9908 7.7835 118.9085 55.4412 33.4168 173.2811 104 H 4.2876 8.9338 120.1649 56.2078 29.1295 174.8394 105 G 4.1437 8.7290 110.0696 46.9242 0.0000 172.1712 106 G 4.3599 8.8580 109.4620 45.0786 0.0000 170.6133 107 P 4.4511 0.0000 0.0000 64.0375 31.8804 175.4890 108 Q 3.5087 8.3593 117.8723 55.6023 27.6374 174.1495 109 G 3.8968 7.5212 106.2372 44.1286 0.0000 173.0580 110 L 4.4110 8.1742 121.4413 54.0670 42.7464 176.0943 111 L 5.0596 8.9336 123.9944 54.5245 44.5209 175.9478 112 F 5.2319 7.5999 119.5331 57.2190 42.3439 172.9347 113 Q 4.6588 8.3626 124.2850 54.0381 33.4750 174.3958 114 V 4.8291 8.2315 119.1637 60.4319 35.1584 173.6888 115 D 5.0880 8.6057 122.0628 52.3085 43.3181 173.5000 116 G 4.1025 7.4107 102.9475 46.4861 0.0000 172.0156 117 V 4.9805 8.3763 118.8858 61.0155 34.7682 175.1224 118 A 5.3688 9.0734 128.1546 50.4051 22.9452 174.0203 119 Y 5.0133 8.7881 119.5425 56.0879 42.3729 174.8034 120 S 4.1392 8.3779 120.8152 56.4720 66.1225 173.0435 121 K 3.8100 8.1656 129.1205 56.5731 32.6301 176.1467 122 H 4.3885 9.1578 122.9235 56.0792 28.6765 175.0549 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 T 8.17 4.30 4.23 0.00 0.00 0.00 0.00 0.00 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 4 I 7.70 3.85 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 1.33 0.64 0.95 0.00 0.00 5 R 9.81 4.55 0.00 1.77 1.47 0.00 3.31 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 6 R 8.32 4.78 0.00 1.58 1.83 0.00 3.15 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 7 Y 9.27 4.60 0.00 2.97 2.86 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 8 D 8.59 4.38 0.00 2.99 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 9 V 7.78 3.88 2.08 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 0.89 0.00 0.00 0.93 0.00 0.00 10 N 8.90 4.77 0.00 2.62 2.30 0.00 0.00 6.96 7.19 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 11 E 8.69 4.02 0.00 1.99 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 2.30 2.27 0.00 12 D 8.15 4.50 0.00 2.78 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 13 R 8.39 4.10 0.00 1.67 2.01 0.00 3.54 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 14 G 8.08 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 15 H 7.53 5.10 0.00 3.21 3.43 0.00 5.61 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.44 4.79 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 1.36 0.00 0.00 17 G 8.86 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 0.00 0.00 0.00 18 L 8.36 5.21 0.00 1.84 1.64 0.99 0.75 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 19 V 9.30 4.83 2.26 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 0.92 0.00 0.00 1.01 0.00 0.00 20 E 9.41 4.55 0.00 2.27 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 2.18 1.81 0.00 21 A 8.91 4.65 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 22 G 8.81 3.66 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 0.00 0.00 0.00 23 D 8.68 4.64 0.00 2.49 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 0.00 0.00 0.00 24 F 8.05 5.26 0.00 3.27 2.86 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 25 Y 9.03 5.20 0.00 2.79 2.86 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 26 Y 9.68 4.82 0.00 2.91 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 27 L 8.76 5.00 0.00 1.91 1.63 0.98 0.30 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 28 N 8.77 4.90 0.00 2.94 2.51 0.00 0.00 7.23 6.98 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 29 Y 8.59 4.46 0.00 2.96 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 30 C 9.64 4.96 0.00 2.95 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 31 V 8.14 4.71 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 0.72 0.00 0.00 0.81 0.00 0.00 32 G 8.90 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 33 N 8.59 4.25 0.00 2.99 3.00 0.00 0.00 6.43 7.68 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 34 V 7.65 3.74 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 0.67 0.00 0.00 0.84 0.00 0.00 35 G 8.97 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 36 Q 7.35 4.33 0.00 2.31 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 37 D 8.19 4.62 0.00 2.95 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 38 I 8.20 3.62 1.93 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 1.62 1.19 0.94 0.00 0.00 39 E 8.16 3.85 0.00 2.06 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 2.37 2.40 0.00 40 S 8.55 4.13 0.00 4.07 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 41 Q 7.94 4.55 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 42 I 7.44 2.84 1.62 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.23 0.22 0.00 0.00 43 N 8.10 4.46 0.00 2.89 2.91 0.00 0.00 6.99 7.20 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 44 G 8.58 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 0.00 0.00 0.00 45 A 7.93 4.02 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.93 4.78 0.00 3.21 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 47 D 8.68 4.62 0.00 2.88 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 48 E 8.07 4.21 0.00 2.18 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 2.27 2.38 0.00 *50 E 8.18 4.20 0.00 2.22 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 0.00 2.17 2.33 0.00 51 R 8.08 3.83 0.00 1.91 2.11 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 52 R 7.98 4.04 0.00 1.90 1.96 0.00 3.16 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 53 L 7.85 3.84 0.00 1.58 1.67 0.87 0.63 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 54 A 8.24 3.91 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 55 L 7.37 3.98 0.00 1.50 1.56 0.95 1.29 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 56 V 7.05 4.07 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 0.17 0.00 0.00 0.41 0.00 0.00 57 G 7.80 3.78 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 58 L 7.59 4.47 0.00 1.47 1.37 0.16 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.53 4.61 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 1.11 0.00 0.00 60 L 8.16 3.84 0.00 1.20 0.78 -0.13 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.55 4.33 0.00 2.54 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 62 A 8.04 4.27 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 63 V 7.55 4.19 2.41 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 1.00 0.00 0.00 1.03 0.00 0.00 64 V 8.96 4.28 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 0.77 0.00 0.00 1.11 0.00 0.00 65 Q 7.60 5.64 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.67 0.00 0.00 0.00 0.00 0.00 2.50 2.20 0.00 *67 D 8.46 4.82 0.00 2.95 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 68 C 9.03 4.75 0.00 3.10 2.91 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 0.00 0.00 0.00 69 L 8.45 5.06 0.00 1.59 1.64 0.97 0.96 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 70 F 9.23 5.51 0.00 2.91 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 71 R 9.29 4.16 0.00 2.17 2.16 0.00 3.17 0.00 0.00 3.09 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.46 0.00 72 D 8.32 4.99 0.00 2.86 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 73 V 9.06 3.21 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 0.42 0.00 0.00 0.61 0.00 0.00 74 W 8.12 4.26 0.00 3.37 3.30 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 75 N 8.13 4.66 0.00 3.04 3.02 0.00 0.00 6.85 6.55 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 76 I 6.80 3.59 1.65 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 -0.18 0.85 0.00 0.00 77 P 0.00 4.43 0.00 2.18 2.12 0.00 3.70 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 2.16 2.16 0.00 78 V 7.33 3.66 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 0.74 0.00 0.00 0.96 0.00 0.00 *80 E 8.27 4.35 0.00 2.23 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 2.26 2.51 0.00 81 K 7.84 3.72 0.00 1.85 1.98 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.45 7.81 *83 I 7.84 4.33 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 1.15 0.67 0.51 0.00 0.00 84 K 8.15 4.24 0.00 2.00 1.95 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.66 7.81 85 E 8.06 3.91 0.00 2.05 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 0.00 2.40 2.64 0.00 86 R 8.06 4.23 0.00 1.80 1.81 0.00 3.32 0.00 0.00 3.45 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 87 F 8.97 4.14 0.00 3.43 3.32 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 88 N 8.58 4.09 0.00 2.74 2.80 0.00 0.00 7.23 7.86 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 89 G 7.90 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 0.00 0.00 0.00 90 R 7.03 4.14 0.00 1.72 1.79 0.00 3.23 0.00 0.00 3.13 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.41 0.00 91 Y 7.84 4.84 0.00 2.96 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 92 P 0.00 4.79 0.00 2.09 2.29 0.00 3.49 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.89 0.00 93 A 8.52 4.39 1.29 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 94 R 8.28 4.99 0.00 1.81 1.88 0.00 3.09 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 95 K 8.48 4.79 0.00 1.81 1.90 0.00 1.45 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.50 7.81 96 S 8.69 5.50 0.00 3.77 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 97 I 8.89 4.74 1.87 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 1.13 1.21 0.93 0.00 0.00 98 Q 8.57 5.03 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.63 0.00 99 T 8.62 4.54 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 0.74 0.00 0.00 100 E 8.48 3.89 0.00 1.88 1.78 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 2.23 2.22 0.00 101 F 8.08 4.95 0.00 2.99 2.80 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 0.00 102 A 8.41 4.45 1.29 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 0.00 103 H 7.78 4.99 0.00 3.12 3.14 0.00 5.94 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.93 4.29 0.00 3.26 3.41 0.00 5.50 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 0.00 105 G 8.73 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 0.00 0.00 0.00 0.00 106 G 8.86 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 0.00 0.00 0.00 0.00 107 P 0.00 4.45 0.00 2.09 2.03 0.00 3.87 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 2.05 2.10 0.00 108 Q 8.36 3.51 0.00 2.36 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 109 G 7.52 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 0.00 110 L 8.17 4.41 0.00 1.17 1.41 0.57 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.93 5.06 0.00 1.69 1.79 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 112 F 7.60 5.23 0.00 2.86 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 0.00 113 Q 8.36 4.66 0.00 1.77 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.51 0.00 0.00 0.00 0.00 0.00 1.93 1.39 0.00 114 V 8.23 4.83 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 0.94 0.00 0.00 1.19 0.00 0.00 115 D 8.61 5.09 0.00 2.95 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 0.00 116 G 7.41 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 0.00 0.00 0.00 117 V 8.38 4.98 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 0.75 0.00 0.00 0.90 0.00 0.00 118 A 9.07 5.37 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.79 5.01 0.00 2.67 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 0.00 120 S 8.38 4.14 0.00 3.65 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 0.00 121 K 8.17 3.81 0.00 1.70 1.64 0.00 1.92 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.50 7.81 122 H 9.16 4.39 0.00 3.17 3.20 0.00 5.93 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 * Residues marked with a * may have inaccurate shift predictions.