NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3238 8.1227 123.5928 52.6848 19.9942 177.4443 10 Q 4.2505 8.3783 120.2975 54.7176 29.1734 174.1407 11 E 4.3488 8.4932 114.7034 56.5366 30.4457 177.1035 12 A 4.2884 7.5831 122.8307 56.0677 18.3829 180.3852 13 V 3.5899 7.6668 115.8531 66.1620 31.5485 178.3709 14 I 3.6856 7.5910 119.0331 64.3775 37.0726 177.8176 15 E 3.8449 8.2347 119.9583 59.0802 29.3860 178.4610 16 A 3.8416 8.0087 120.8070 55.4182 18.3623 179.8824 17 K 4.0236 8.0655 116.4783 59.3758 31.9756 179.8930 18 R 3.8898 8.1183 118.7397 59.2964 29.8391 178.6626 19 Y 3.8882 8.2055 116.5822 60.8849 37.9182 178.2518 20 L 3.7496 7.9291 121.1950 58.3735 42.1245 178.8798 21 N 4.3206 8.3563 116.4961 56.0375 38.3400 177.1905 22 N 4.2243 8.4002 118.1426 56.2529 38.7176 177.0423 23 A 3.9924 8.1112 122.2206 55.3285 18.3851 179.8937 24 K 4.0824 7.9417 116.7977 59.6777 32.0555 179.4078 25 D 4.3414 8.3176 119.5237 57.2814 40.6450 178.8165 26 I 3.6734 7.9757 120.4985 64.3540 37.1139 178.4585 27 L 3.7487 7.7905 119.6070 57.6295 41.1558 179.5673 28 R 3.9331 7.9395 117.5407 59.6576 30.1607 177.9101 29 D 4.5695 8.3066 117.4421 55.9846 41.1449 177.2855 30 K 4.3003 8.1792 114.6963 55.2948 34.5047 177.5156 31 G 3.6352 8.1804 109.2182 46.4270 0.0000 174.0739 32 G 3.7068 8.2151 107.7298 46.1906 0.0000 173.5642 33 K 4.2528 8.1593 119.5523 56.2430 33.2576 175.3971 34 E 4.5381 9.2914 125.5317 56.5756 32.8415 174.4874 35 D 4.4505 9.9907 124.7113 55.3096 38.8002 174.6603 36 G 3.5524 8.2552 104.9563 45.1769 0.0000 173.4776 37 F 4.9547 8.1740 118.7278 55.1994 41.8437 174.1603 38 Y 4.4901 8.5722 123.8996 58.2952 37.9072 176.0634 39 Q 4.2000 8.4965 123.9708 56.8888 29.7175 175.4508 40 D 4.7685 8.0567 118.2346 52.5525 40.7063 176.5921 41 S 4.2037 8.5980 124.1782 61.2502 62.5742 176.2334 42 K 3.7191 7.6901 121.8618 59.8494 31.9356 177.9389 43 Y 4.2579 7.7881 114.5991 60.1546 38.2968 177.5856 44 V 3.7842 7.8367 119.5459 65.8190 31.5215 178.4266 45 K 3.9810 8.3182 114.1145 57.5973 31.5564 178.3179 *47 A 4.3134 7.9606 124.3615 52.3065 20.6259 179.8886 48 G 3.7754 8.5463 102.8794 48.3770 0.0000 175.3081 49 H 4.3173 8.6006 121.2126 59.1868 29.8507 177.4737 50 T 3.9722 8.0507 116.7692 66.6089 68.5527 176.2106 51 A 3.9923 8.3211 122.8048 55.4866 18.4014 178.9716 52 Y 4.2023 8.3664 118.0335 61.1935 38.7794 178.6027 53 S 4.0812 8.9403 116.4591 61.1299 62.8473 176.8619 54 G 3.2260 8.1085 108.7361 47.6195 0.0000 175.7059 55 V 3.5700 7.4761 120.8546 65.7138 31.5284 177.9139 56 L 3.6942 7.6457 118.6231 57.6509 41.3523 179.3150 57 F 3.8073 8.3811 120.5585 61.1624 39.3813 176.9441 58 A 4.0684 8.0411 120.1981 55.3724 18.1429 179.5755 59 L 4.1247 8.2090 117.5191 58.2343 41.7198 179.5959 60 D 4.6150 9.0343 119.2575 57.6708 40.4926 178.3362 61 H 4.0960 7.9812 118.1321 59.0849 29.8926 176.5014 62 Y 4.2711 7.7419 120.5492 60.4559 38.7988 176.9541 63 F 4.5510 8.4552 116.6259 57.2359 39.8872 177.7961 64 G 3.9714 8.6213 106.8943 46.6202 0.0000 174.9588 65 K 4.4562 8.6006 122.8904 53.9907 34.8739 174.9493 66 K 4.4580 7.7661 122.8865 55.0333 33.3195 176.9039 67 T 4.0230 8.4940 116.0884 63.5317 69.2222 174.6742 68 K 4.4487 7.4716 121.2759 55.1485 35.5148 177.2908 69 G 3.8021 8.6440 112.7080 45.3150 0.0000 172.5045 70 R 4.5747 8.0610 118.4634 53.8662 32.9608 176.0111 71 K 3.9482 8.0359 119.7839 56.6706 32.4873 176.2543 72 D 4.8905 8.1533 119.0188 51.4839 42.2584 175.8545 73 V 4.0665 8.7057 117.8435 65.6558 31.0860 177.8115 74 D 4.3873 8.2785 118.9896 56.6884 40.7906 178.3173 75 W 3.8939 8.4277 128.8412 60.6179 30.7185 177.7387 76 Y 3.5835 7.7088 115.4883 60.6790 37.1663 178.4662 77 K 3.9463 8.1835 119.7342 59.4642 31.8589 179.6475 78 S 4.0036 7.9679 114.5447 61.3322 62.7075 176.2541 79 N 3.7077 7.0069 118.9759 55.7392 38.3574 176.9795 80 L 4.1716 7.6068 119.8710 57.0825 40.2355 179.2214 81 A 3.9953 8.2088 121.8684 54.8903 18.1173 179.2147 82 Q 3.8016 7.6051 113.9809 58.0805 28.7423 177.1912 83 Q 4.5971 7.9241 120.5276 54.7886 30.9042 174.9625 84 D 5.0589 6.4789 125.5199 53.2217 45.3226 177.0112 85 K 4.0387 8.0673 127.4497 58.9190 32.3857 178.5688 86 K 3.8803 8.1325 119.6904 59.5648 32.0338 178.6263 87 I 3.6248 7.4759 119.5250 63.6013 37.0120 177.6489 88 L 3.9204 7.7372 121.3782 58.5102 41.9010 178.8970 89 N 4.3417 8.4119 116.3576 56.5620 38.4320 177.4877 90 T 3.8529 8.0452 117.1483 66.7635 68.5628 176.4073 91 F 4.1404 8.5014 122.6917 61.2067 39.4127 177.3023 92 V 3.5193 8.1246 118.1426 65.8487 31.2873 178.0266 93 S 4.0311 8.0624 112.9576 61.2610 62.2817 175.9553 94 V 3.5805 7.8197 121.1061 66.3769 31.1768 177.2108 95 Y 3.7348 7.9733 119.2240 60.6478 38.4650 178.0048 96 E 3.6804 8.6123 119.5760 59.5795 29.4065 179.4635 97 Q 3.9174 8.2009 116.7860 58.4556 28.9855 177.9211 98 L 4.3195 8.1434 118.6958 57.1883 42.4210 178.3781 99 H 4.0415 7.4630 117.4415 58.8767 29.9109 176.8521 100 L 3.7977 7.2460 120.5343 57.3186 41.7683 179.0407 101 V 3.6282 7.7882 116.2187 64.7693 31.1350 177.1858 *103 A 4.4582 7.7330 119.7681 53.0603 20.4459 177.2552 104 Y 4.1322 7.7875 115.2157 60.0829 39.1191 176.2210 105 D 4.4891 8.1419 116.8560 54.0320 41.4864 177.0303 106 G 3.7936 8.1023 106.4009 46.4102 0.0000 173.1182 107 V 4.2630 8.1080 120.0130 60.7611 32.6833 175.9463 108 G 4.0745 8.5008 116.0793 43.2941 0.0000 169.1924 109 D 4.7443 8.3208 123.7517 52.9651 42.0310 175.6512 110 A 3.9773 8.1666 130.8631 55.2502 18.2149 178.9529 111 E 3.8073 7.8862 116.4919 59.5040 29.5343 179.6428 112 V 3.5220 7.6112 118.1845 65.8600 31.5970 177.9457 113 V 3.2754 8.2709 118.3723 65.9949 31.1743 177.9149 114 K 3.8918 8.0492 117.9733 59.7016 31.9076 179.2319 115 L 4.1012 7.7392 119.1606 57.6141 41.5218 179.7455 116 G 3.6461 8.1587 105.8534 48.0452 0.0000 175.7509 117 F 4.6587 8.5368 120.9454 60.3764 38.8622 177.8033 118 Q 4.1124 8.4518 117.9345 59.0725 28.4983 179.0652 119 R 3.9736 8.3750 118.9695 59.0714 30.1105 178.9292 120 A 4.0588 8.2211 120.5937 55.3543 18.3900 179.3945 121 E 3.9783 8.4004 117.7054 59.2715 29.6314 179.0150 122 I 3.7572 7.8004 120.1709 64.4977 37.1618 178.4567 123 I 3.8650 7.8916 120.6239 64.4261 36.9164 178.6135 124 I 3.8196 7.9847 120.7560 64.4984 36.8387 178.2790 125 D 4.3586 8.5140 120.0765 56.8421 40.6222 178.5035 126 W 4.0787 8.4266 129.0564 60.4173 30.6479 177.9622 127 V 2.7369 7.9063 118.0460 65.7900 30.8206 177.1718 128 E 3.7702 8.0957 118.9239 59.6754 29.2041 179.0634 129 R 3.8255 7.7876 116.5954 58.7547 30.2797 178.3664 130 R 3.7416 7.2391 118.1980 58.9579 29.8629 178.7780 131 L 4.0022 7.5224 117.1560 56.9722 41.5305 178.3436 132 A 4.4821 7.1639 118.8448 51.6432 18.9983 176.8820 133 A 4.0522 7.8251 128.2261 53.3320 18.4135 178.1976 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 9 A 8.12 4.32 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.38 4.25 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.03 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 11 E 8.49 4.35 0.00 2.25 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 0.00 2.38 2.40 0.00 12 A 7.58 4.29 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 13 V 7.67 3.59 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 1.02 0.00 0.00 0.90 0.00 0.00 14 I 7.59 3.69 2.03 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 1.52 0.33 0.90 0.00 0.00 15 E 8.23 3.84 0.00 2.01 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 1.47 1.70 0.00 16 A 8.01 3.84 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 17 K 8.07 4.02 0.00 1.99 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.66 7.81 18 R 8.12 3.89 0.00 1.98 1.91 0.00 3.26 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.78 0.00 19 Y 8.21 3.89 0.00 3.04 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 20 L 7.93 3.75 0.00 1.71 1.74 0.45 0.72 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 21 N 8.36 4.32 0.00 2.79 2.80 0.00 0.00 7.08 7.53 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 22 N 8.40 4.22 0.00 2.87 2.79 0.00 0.00 6.82 8.05 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 23 A 8.11 3.99 1.37 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 0.00 0.00 24 K 7.94 4.08 0.00 1.93 1.91 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.52 1.24 7.81 25 D 8.32 4.34 0.00 2.80 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 26 I 7.98 3.67 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.83 1.05 0.00 0.00 27 L 7.79 3.75 0.00 1.76 1.08 0.78 0.15 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 28 R 7.94 3.93 0.00 1.84 2.12 0.00 3.26 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 29 D 8.31 4.57 0.00 2.66 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 30 K 8.18 4.30 0.00 0.79 0.74 0.00 1.32 0.00 0.00 1.48 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.04 0.93 7.81 31 G 8.18 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 0.00 0.00 0.00 32 G 8.22 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 33 K 8.16 4.25 0.00 1.72 1.69 0.00 1.67 0.00 0.00 1.39 0.00 0.00 2.57 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.09 0.51 7.81 34 E 9.29 4.54 0.00 2.15 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 2.23 2.29 0.00 35 D 9.99 4.45 0.00 2.97 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 36 G 8.26 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.17 4.95 0.00 2.97 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 38 Y 8.57 4.49 0.00 3.04 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 39 Q 8.50 4.20 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 40 D 8.06 4.77 0.00 2.82 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 41 S 8.60 4.20 0.00 3.90 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 42 K 7.69 3.72 0.00 1.57 1.89 0.00 1.32 0.00 0.00 1.40 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.80 1.23 7.81 43 Y 7.79 4.26 0.00 3.14 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 44 V 7.84 3.78 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 1.11 0.00 0.00 1.08 0.00 0.00 45 K 8.32 3.98 0.00 1.95 1.84 0.00 1.66 0.00 0.00 1.55 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.58 1.55 7.81 *47 A 7.96 4.31 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 48 G 8.55 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 49 H 8.60 4.32 0.00 3.42 3.44 0.00 5.79 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 50 T 8.05 3.97 4.44 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 1.29 0.00 0.00 51 A 8.32 3.99 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 52 Y 8.37 4.20 0.00 3.16 3.24 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 53 S 8.94 4.08 0.00 4.17 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 54 G 8.11 3.23 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 0.00 55 V 7.48 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 1.25 0.00 0.00 1.06 0.00 0.00 56 L 7.65 3.69 0.00 1.65 1.56 0.74 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.38 3.81 0.00 2.83 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 58 A 8.04 4.07 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.21 4.12 0.00 2.07 2.25 0.75 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 60 D 9.03 4.61 0.00 2.71 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 61 H 7.98 4.10 0.00 2.99 3.45 0.00 5.95 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 7.74 4.27 0.00 2.74 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 63 F 8.46 4.55 0.00 3.33 2.85 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 64 G 8.62 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 65 K 8.60 4.46 0.00 1.68 1.60 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.33 7.81 66 K 7.77 4.46 0.00 0.81 0.78 0.00 1.06 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.17 1.24 7.81 67 T 8.49 4.02 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 1.21 0.00 0.00 68 K 7.47 4.45 0.00 1.65 1.64 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.27 1.37 7.81 69 G 8.64 3.80 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 0.00 0.00 0.00 70 R 8.06 4.57 0.00 1.76 1.79 0.00 3.22 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 71 K 8.04 3.95 0.00 1.64 1.43 0.00 1.44 0.00 0.00 1.08 0.00 0.00 2.13 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.30 0.82 7.81 72 D 8.15 4.89 0.00 2.96 2.84 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 73 V 8.71 4.07 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 0.77 0.00 0.00 0.34 0.00 0.00 74 D 8.28 4.39 0.00 2.89 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 75 W 8.43 3.89 0.00 3.33 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 76 Y 7.71 3.58 0.00 3.03 2.31 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 77 K 8.18 3.95 0.00 1.79 1.83 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.76 7.81 78 S 7.97 4.00 0.00 3.90 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 79 N 7.01 3.71 0.00 1.44 1.42 0.00 0.00 7.08 7.26 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 80 L 7.61 4.17 0.00 1.67 1.54 0.52 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.21 4.00 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 82 Q 7.61 3.80 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 83 Q 7.92 4.60 0.00 2.33 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.96 0.00 0.00 0.00 0.00 0.00 3.00 2.68 0.00 84 D 6.48 5.06 0.00 3.04 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 85 K 8.07 4.04 0.00 1.85 1.77 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.48 7.81 86 K 8.13 3.88 0.00 1.86 1.77 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.54 7.81 87 I 7.48 3.62 1.38 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 -0.07 -0.11 0.00 0.00 88 L 7.74 3.92 0.00 1.71 1.85 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.41 4.34 0.00 2.89 2.86 0.00 0.00 7.13 7.79 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 90 T 8.05 3.85 4.37 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 1.24 0.00 0.00 91 F 8.50 4.14 0.00 3.12 3.24 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 92 V 8.12 3.52 2.23 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 0.85 0.00 0.00 1.06 0.00 0.00 93 S 8.06 4.03 0.00 4.06 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 94 V 7.82 3.58 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 1.11 0.00 0.00 1.08 0.00 0.00 95 Y 7.97 3.73 0.00 2.56 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 96 E 8.61 3.68 0.00 2.07 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 2.65 2.52 0.00 97 Q 8.20 3.92 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 98 L 8.14 4.32 0.00 1.78 1.83 1.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 99 H 7.46 4.04 0.00 1.53 2.58 0.00 5.85 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 0.00 100 L 7.25 3.80 0.00 1.67 1.47 0.72 0.40 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 0.00 101 V 7.79 3.63 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 1.09 0.00 0.00 0.93 0.00 0.00 *103 A 7.73 4.46 1.44 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 0.00 104 Y 7.79 4.13 0.00 2.82 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 0.00 105 D 8.14 4.49 0.00 2.93 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 0.00 106 G 8.10 3.79 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 0.00 0.00 0.00 107 V 8.11 4.26 2.10 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 0.85 0.00 0.00 0.93 0.00 0.00 108 G 8.50 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 0.00 0.00 0.00 109 D 8.32 4.74 0.00 2.95 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 0.00 110 A 8.17 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 7.89 3.81 0.00 2.05 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 2.33 2.25 0.00 112 V 7.61 3.52 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 1.06 0.00 0.00 1.03 0.00 0.00 113 V 8.27 3.28 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 0.23 0.00 0.00 0.98 0.00 0.00 114 K 8.05 3.89 0.00 2.05 1.87 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.53 7.81 115 L 7.74 4.10 0.00 1.76 1.72 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 116 G 8.16 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 0.00 117 F 8.54 4.66 0.00 3.17 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 0.00 118 Q 8.45 4.11 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 119 R 8.38 3.97 0.00 2.04 2.03 0.00 3.32 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.82 0.00 120 A 8.22 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 0.00 121 E 8.40 3.98 0.00 2.14 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 2.34 2.43 0.00 122 I 7.80 3.76 2.12 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.74 0.95 0.00 0.00 123 I 7.89 3.87 2.11 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 1.84 1.01 1.03 0.00 0.00 124 I 7.98 3.82 1.91 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 1.56 0.74 0.93 0.00 0.00 125 D 8.51 4.36 0.00 2.88 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 0.00 126 W 8.43 4.08 0.00 3.46 3.38 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 0.00 127 V 7.91 2.74 2.21 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 0.86 0.00 0.00 1.06 0.00 0.00 128 E 8.10 3.77 0.00 2.02 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 0.00 2.25 2.30 0.00 129 R 7.79 3.83 0.00 1.84 1.94 0.00 3.28 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 130 R 7.24 3.74 0.00 0.70 1.31 0.00 2.93 0.00 0.00 2.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 131 L 7.52 4.00 0.00 1.65 1.71 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.16 4.48 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 0.00 133 A 7.83 4.05 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 * Residues marked with a * may have inaccurate shift predictions.