NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3563 8.3444 121.7129 56.0957 30.2565 173.6865 3 V 4.6845 8.0006 120.0654 60.9491 35.0456 172.8061 4 R 4.7835 10.0100 126.1822 54.4890 34.8892 173.9458 5 Q 5.4728 8.4469 120.9003 53.4357 31.3052 176.2514 6 S 4.0124 9.2739 121.2880 61.6585 62.8784 174.3887 7 P 3.8947 0.0000 0.0000 65.0255 31.1449 176.4883 8 Q 2.7436 9.0063 117.4064 56.7387 27.0176 170.1722 9 S 3.8793 8.8911 127.2336 57.8953 62.4947 170.9090 10 L 4.7509 8.6029 126.0453 54.2273 45.9942 174.5270 11 T 5.7349 8.0429 118.4345 61.9088 72.5549 173.3166 12 V 4.2623 8.0117 123.8821 60.8954 36.0043 173.4966 13 W 4.9261 8.6937 123.9982 55.8982 30.1806 173.9283 14 E 4.5081 7.9402 130.3662 54.2463 28.1205 174.9335 15 G 3.9773 10.0983 118.3232 46.6093 0.0000 172.4518 16 E 4.7653 7.6654 118.7189 55.1809 31.7431 175.4496 17 T 4.4382 8.3206 117.5026 63.8602 69.6890 174.6585 18 T 4.4517 8.9166 123.1033 62.1127 70.5352 173.6744 19 I 4.6960 8.2940 127.0311 59.4621 39.8000 174.7749 20 L 4.7667 8.4538 127.6077 53.0164 44.2242 175.7474 21 N 5.4507 8.8334 120.7186 52.3493 41.3721 174.3458 22 C 5.7158 9.6491 120.9191 55.7259 48.2148 172.4987 23 S 5.4246 8.9644 114.9459 57.9834 66.1575 172.9086 24 Y 5.0667 8.2804 118.4378 56.7241 40.7965 173.9683 25 E 4.0066 8.4490 116.4530 57.6443 32.1111 175.4438 26 D 4.2798 7.7129 120.1621 54.5836 40.6931 176.8374 27 S 4.5248 8.6276 122.2253 60.4562 62.8743 175.7040 28 T 4.2936 8.5083 117.4890 65.2818 68.6722 175.3124 29 F 4.5472 8.9092 121.9967 57.4162 39.3957 174.4394 30 D 4.5587 8.3098 124.3130 52.2948 42.5109 171.4078 31 Y 3.1820 8.5090 127.2669 57.3259 39.0416 168.7475 32 F 4.8882 9.6190 126.3021 55.2232 42.4218 172.6511 33 P 5.1375 0.0000 0.0000 61.1530 34.3359 174.2751 34 W 5.3779 8.5051 118.8076 55.3301 31.8962 174.4682 35 Y 5.2993 9.8070 121.0733 56.1612 41.7767 174.7907 36 R 4.6371 8.9509 118.2546 54.4648 32.5044 173.7828 37 Q 4.4231 8.3918 125.2109 54.4834 31.1360 173.8876 38 F 4.9719 8.7333 125.3397 56.1846 40.8670 173.1230 39 P 4.1884 0.0000 0.0000 63.4920 30.6334 176.0000 40 G 3.9572 9.2859 111.4763 45.5882 0.0000 172.1715 41 K 4.7502 8.2731 118.0012 53.9863 36.2661 176.0880 42 S 4.5074 8.3803 114.7100 57.5495 63.9478 172.4275 43 P 4.6731 0.0000 0.0000 62.9218 32.0123 175.6313 44 A 4.9160 8.4864 122.2372 49.9664 23.0103 175.5888 45 L 3.0665 8.4984 122.1717 53.8858 43.4584 176.2927 46 L 4.7694 8.2280 128.9225 55.1748 45.3013 172.4686 47 I 2.9471 7.6454 126.3345 62.0182 34.8537 172.8430 48 A 5.1775 8.1795 124.9572 50.2887 21.5568 175.0324 49 I 4.6614 8.1555 119.0595 59.8136 42.2626 174.2578 50 S 4.9116 8.4221 118.8556 56.0897 65.4868 174.9856 51 L 3.2310 8.8083 122.1167 58.2251 40.3039 178.4833 52 V 3.6757 7.4567 119.0443 65.6020 31.2964 175.6982 53 S 4.8677 7.3919 111.4201 56.9265 64.9368 173.2822 54 N 5.2797 8.1124 114.9214 52.4827 40.6080 173.9487 55 K 4.8340 7.8013 117.0019 56.8994 36.2768 174.2303 56 K 4.4165 7.5455 122.9753 55.5833 35.4605 173.8250 57 E 5.0981 8.5719 126.0674 55.1294 32.8360 176.0019 58 D 4.3420 9.2199 120.4690 54.3498 43.0781 176.4370 59 G 4.1371 8.2276 115.4633 44.9097 0.0000 172.0156 *61 R 4.3338 8.2024 114.1602 55.7516 32.3696 175.6769 62 F 4.7621 7.4015 119.3398 57.6318 40.0665 174.7918 63 T 5.0674 8.7428 119.7456 61.9221 73.3253 172.7958 64 I 4.7390 8.2262 125.8410 59.4326 40.3375 174.4435 65 F 5.2096 9.1908 125.5815 55.6172 41.4468 174.1756 66 F 5.1445 8.7442 124.8961 56.2266 41.6869 173.7631 67 N 4.5964 7.7818 123.5547 52.8834 40.9383 173.4870 68 K 3.9876 9.4268 125.0725 59.5808 31.3174 177.9680 69 R 3.8705 8.8072 115.5588 56.2069 32.2716 174.1335 70 E 3.5556 8.4546 118.3208 56.8186 27.7295 175.5237 71 K 4.2804 7.0921 122.1563 56.2492 30.3587 177.5614 72 K 4.9715 7.7895 121.4653 54.6484 35.6266 176.2225 73 L 5.2766 8.7039 123.8517 54.0320 46.4381 175.1300 74 S 5.1294 9.1360 116.8242 57.5691 66.8822 173.0168 75 L 4.7711 8.2048 127.0896 53.6715 43.8938 174.4769 76 H 5.3888 9.5741 124.3116 54.1764 31.5468 173.0706 77 I 4.3625 8.7674 124.9935 60.1224 38.7142 175.3442 78 T 4.4836 7.8382 123.5658 62.2718 70.3988 173.6536 79 D 4.8627 8.4455 119.5333 55.1548 40.0139 173.3355 80 S 3.9573 7.0508 113.6301 58.0688 61.7774 174.1499 81 Q 4.8661 8.5180 124.9076 53.1541 30.6553 173.9025 82 P 4.5937 0.0000 0.0000 64.0495 31.9958 176.5842 83 G 4.1135 8.4392 108.6115 45.8645 0.0000 174.2890 84 D 4.9661 7.8213 117.5659 54.7184 41.5192 176.8388 85 S 4.3848 8.4786 114.0366 58.0815 63.4921 173.2226 86 A 4.3810 8.0047 127.5372 52.1676 21.1383 175.4468 87 T 3.9531 7.9329 111.5266 63.5837 69.3265 173.5610 88 Y 3.8033 7.0068 118.0673 58.6233 35.1646 168.5497 89 F 5.2771 10.1636 123.3533 55.9174 41.9148 174.1905 90 C 3.8420 8.8224 122.4459 54.5035 44.9718 172.1198 91 A 5.2059 8.3467 127.7787 50.1320 21.4232 174.9023 92 A 4.5603 8.1142 120.3431 51.0581 23.5475 175.3718 93 T 3.0836 6.7677 110.3280 61.2791 73.1296 172.9783 *99 G 3.7415 8.4273 103.1641 45.4421 0.0000 173.5441 100 S 4.3525 7.4178 108.8721 57.7717 66.9193 172.7227 101 F 3.1122 8.1969 126.7812 58.4620 36.2171 169.8256 102 N 3.7255 8.6918 124.6898 54.2370 38.3477 171.5437 103 K 4.0939 7.6507 125.0637 55.0916 33.9546 173.7028 104 L 4.5536 7.8208 126.8385 53.0614 45.1525 175.9446 105 T 4.4120 8.0741 119.6273 62.2826 69.9621 174.0711 106 F 4.7020 8.7953 125.5717 56.5655 40.6604 176.9916 107 G 4.1391 8.6306 109.1252 45.9469 0.0000 173.0085 108 A 4.6383 8.9723 121.7157 51.3094 19.8603 177.7463 109 G 4.2974 8.3411 103.0060 45.2594 0.0000 173.9469 110 T 4.4754 8.1548 115.9464 61.0726 71.1706 173.6653 111 R 4.1258 8.4854 127.8419 56.2703 31.1821 174.8983 112 L 5.3955 9.3277 128.0780 53.3734 46.0261 174.8583 113 A 4.6699 8.8056 124.7319 50.4625 22.8160 175.2110 114 V 4.6127 8.4784 123.2778 60.9728 32.7076 175.4013 115 S 4.3893 8.6433 124.9442 57.9332 63.9379 172.1399 116 P 5.0316 0.0000 0.0000 62.6652 33.2326 174.6998 117 Y 3.7276 7.9406 118.3891 58.2671 40.3656 169.6698 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 Q 8.34 4.36 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 3 V 8.00 4.68 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 0.97 0.00 0.00 1.07 0.00 0.00 4 R 10.01 4.78 0.00 1.76 1.77 0.00 3.11 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 5 Q 8.45 5.47 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.21 0.00 6 S 9.27 4.01 0.00 3.80 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 7 P 0.00 3.89 0.00 2.23 2.20 0.00 3.96 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 2.13 2.10 0.00 8 Q 9.01 2.74 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.10 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 9 S 8.89 3.88 0.00 4.05 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 10 L 8.60 4.75 0.00 1.71 1.44 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.04 5.73 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 1.04 0.00 0.00 12 V 8.01 4.26 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 1.01 0.00 0.00 0.87 0.00 0.00 13 W 8.69 4.93 0.00 3.60 2.96 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 14 E 7.94 4.51 0.00 2.06 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 2.38 2.21 0.00 15 G 10.10 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 0.00 0.00 0.00 16 E 7.67 4.77 0.00 2.03 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 2.47 2.70 0.00 17 T 8.32 4.44 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 1.29 0.00 0.00 18 T 8.92 4.45 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 1.10 0.00 0.00 19 I 8.29 4.70 1.76 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.29 0.83 0.00 0.00 20 L 8.45 4.77 0.00 1.40 1.68 0.53 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.83 5.45 0.00 2.72 2.79 0.00 0.00 6.51 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 22 C 9.65 5.72 0.00 3.14 3.18 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 23 S 8.96 5.42 0.00 3.97 3.91 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 24 Y 8.28 5.07 0.00 2.84 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 25 E 8.45 4.01 0.00 1.80 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 2.04 2.14 0.00 26 D 7.71 4.28 0.00 2.42 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 0.00 0.00 0.00 27 S 8.63 4.52 0.00 3.98 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 28 T 8.51 4.29 4.98 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 1.32 0.00 0.00 29 F 8.91 4.55 0.00 3.36 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 30 D 8.31 4.56 0.00 2.66 2.54 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 0.00 0.00 0.00 0.00 31 Y 8.51 3.18 0.00 3.07 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 32 F 9.62 4.89 0.00 2.92 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 33 P 0.00 5.14 0.00 2.19 2.16 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 34 W 8.51 5.38 0.00 3.66 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 35 Y 9.81 5.30 0.00 3.10 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 36 R 8.95 4.64 0.00 0.95 2.02 0.00 2.21 0.00 0.00 2.68 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.06 0.00 37 Q 8.39 4.42 0.00 2.42 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.04 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 38 F 8.73 4.97 0.00 3.08 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 39 P 0.00 4.19 0.00 2.11 2.04 0.00 4.28 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 40 G 9.29 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 41 K 8.27 4.75 0.00 1.82 1.75 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.67 7.81 42 S 8.38 4.51 0.00 3.88 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 43 P 0.00 4.67 0.00 1.90 2.03 0.00 3.58 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.97 0.00 44 A 8.49 4.92 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 45 L 8.50 3.07 0.00 0.99 1.34 0.59 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.23 4.77 0.00 1.55 1.62 0.32 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.65 2.95 1.76 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.75 0.85 0.00 0.00 48 A 8.18 5.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.16 4.66 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 1.23 0.75 0.80 0.00 0.00 50 S 8.42 4.91 0.00 3.99 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 51 L 8.81 3.23 0.00 1.82 1.74 1.07 0.95 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 52 V 7.46 3.68 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 0.81 0.00 0.00 0.95 0.00 0.00 53 S 7.39 4.87 0.00 3.97 3.88 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 0.00 0.00 0.00 0.00 54 N 8.11 5.28 0.00 2.79 2.91 0.00 0.00 6.32 7.60 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 55 K 7.80 4.83 0.00 1.78 1.62 0.00 1.73 0.00 0.00 1.45 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.01 0.70 7.81 56 K 7.55 4.42 0.00 1.82 1.49 0.00 1.57 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.34 1.45 7.81 57 E 8.57 5.10 0.00 1.81 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 0.00 2.07 2.21 0.00 58 D 9.22 4.34 0.00 2.79 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 59 G 8.23 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 *61 R 8.20 4.33 0.00 1.71 2.05 0.00 3.05 0.00 0.00 3.16 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.93 0.00 62 F 7.40 4.76 0.00 3.28 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 63 T 8.74 5.07 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 0.28 0.00 0.00 64 I 8.23 4.74 1.79 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.90 1.03 0.00 0.00 65 F 9.19 5.21 0.00 2.99 2.88 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 0.00 0.00 0.00 0.00 66 F 8.74 5.14 0.00 3.05 2.90 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 67 N 7.78 4.60 0.00 2.70 2.51 0.00 0.00 6.66 6.34 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 68 K 9.43 3.99 0.00 2.02 1.62 0.00 2.05 0.00 0.00 1.95 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.68 7.81 69 R 8.81 3.87 0.00 1.80 1.80 0.00 3.41 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 70 E 8.45 3.56 0.00 2.06 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 0.00 2.11 2.25 0.00 71 K 7.09 4.28 0.00 1.26 0.74 0.00 1.45 0.00 0.00 0.76 0.00 0.00 2.86 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.76 1.16 7.81 72 K 7.79 4.97 0.00 1.41 1.63 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.28 7.81 73 L 8.70 5.28 0.00 1.68 1.51 1.21 0.96 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 74 S 9.14 5.13 0.00 4.06 4.15 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 75 L 8.20 4.77 0.00 0.81 0.13 0.77 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 76 H 9.57 5.39 0.00 3.05 3.20 0.00 5.67 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.77 4.36 1.73 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.41 0.76 0.00 0.00 78 T 7.84 4.48 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 1.17 0.00 0.00 79 D 8.45 4.86 0.00 2.70 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.05 3.96 0.00 4.08 3.82 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 81 Q 8.52 4.87 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 7.09 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 82 P 0.00 4.59 0.00 2.22 2.28 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 83 G 8.44 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 84 D 7.82 4.97 0.00 3.16 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 85 S 8.48 4.38 0.00 4.05 4.07 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 86 A 8.00 4.38 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.93 3.95 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 88 Y 7.01 3.80 0.00 3.45 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 89 F 10.16 5.28 0.00 3.38 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 90 C 8.82 3.84 0.00 1.23 2.37 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 91 A 8.35 5.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.11 4.56 1.63 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 93 T 6.77 3.08 3.88 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 0.00 0.00 0.00 1.09 0.00 0.00 *99 G 8.43 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 0.00 100 S 7.42 4.35 0.00 3.93 3.76 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 0.00 101 F 8.20 3.11 0.00 3.11 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 0.00 102 N 8.69 3.73 0.00 2.64 2.87 0.00 0.00 7.22 6.68 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 0.00 103 K 7.65 4.09 0.00 1.82 1.81 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.10 1.14 7.81 104 L 7.82 4.55 0.00 0.52 0.83 0.57 0.82 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 0.00 105 T 8.07 4.41 4.31 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 1.38 0.00 0.00 106 F 8.80 4.70 0.00 2.81 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 0.00 107 G 8.63 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 0.00 108 A 8.97 4.64 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 0.00 109 G 8.34 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 0.00 0.00 0.00 0.00 110 T 8.15 4.48 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 1.26 0.00 0.00 111 R 8.49 4.13 0.00 1.82 1.78 0.00 3.10 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 112 L 9.33 5.40 0.00 1.81 1.67 0.94 0.97 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 0.00 113 A 8.81 4.67 1.20 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 0.00 0.00 114 V 8.48 4.61 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 1.00 0.00 0.00 1.04 0.00 0.00 115 S 8.64 4.39 0.00 4.02 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 0.00 116 P 0.00 5.03 0.00 2.31 2.18 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 117 Y 7.94 3.73 0.00 3.22 3.39 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 * Residues marked with a * may have inaccurate shift predictions.