NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 E 4.2881 8.3033 118.9419 56.2118 31.8946 173.7622 *2 R 4.3721 8.2572 116.5846 56.5971 31.9177 174.7180 3 I 4.9307 8.2368 121.8201 59.5403 41.2366 174.2188 4 G 4.5956 8.8447 113.0768 45.3037 0.0000 170.7462 5 H 5.4583 8.6807 118.5582 54.5942 33.9133 172.1248 6 G 4.2779 8.6921 109.5385 44.9300 0.0000 171.2415 7 F 5.5377 8.5389 122.4629 56.7015 42.6517 172.8822 8 D 4.5488 8.0126 123.5082 52.9286 45.2121 173.8654 9 V 4.7489 7.7687 121.3114 61.6281 34.7769 173.8336 10 H 4.9362 8.8122 123.0694 53.8612 33.1133 172.3808 11 A 4.8118 8.3008 122.1679 50.8366 20.6465 176.9948 12 F 4.9997 8.8958 120.0544 57.5386 39.7558 175.2834 13 G 3.9101 9.2462 109.2293 47.4346 0.0000 175.1869 14 G 3.9999 7.9798 108.6718 45.1634 0.0000 172.0102 15 E 4.7000 8.4924 118.4874 54.2347 31.9770 176.4231 16 G 4.2446 8.8231 110.1653 45.0773 0.0000 170.8670 17 P 5.0122 0.0000 0.0000 62.1004 32.8998 175.6910 18 I 4.4288 8.5368 114.0126 60.1170 40.1311 174.6106 19 I 5.0444 8.1588 122.9164 59.7011 40.3435 174.9516 20 I 4.6180 8.4909 127.7313 60.5478 40.4025 175.8784 21 G 3.8079 10.1306 114.3720 46.6853 0.0000 174.6942 22 G 3.8725 8.9629 106.5612 45.1421 0.0000 174.1320 23 V 4.6003 7.6402 120.3731 60.9632 33.9832 174.7673 24 R 4.6853 8.7206 127.0455 55.8412 31.0308 175.7219 25 I 4.3648 8.6917 125.9975 58.5279 39.5025 173.6758 26 P 4.6561 0.0000 0.0000 63.5846 31.8876 174.9638 27 Y 4.9121 8.1302 121.9715 56.9611 41.6490 174.7618 28 E 3.8520 7.4902 120.6649 58.0492 30.0841 176.7907 29 K 4.7510 7.0373 116.9626 54.6018 36.4002 176.1167 30 G 4.2204 8.2670 109.8824 45.2045 0.0000 171.7616 31 L 5.2643 8.3212 119.2612 52.8370 43.3828 176.9246 32 L 4.3471 8.9110 124.8797 54.0348 42.2904 176.6253 33 A 4.3042 8.0033 125.4095 52.1470 21.3248 176.2115 34 H 4.2769 8.7281 117.7903 58.6626 28.9779 176.5212 35 S 4.5774 7.6611 112.6621 56.9631 64.7216 173.2448 36 D 4.3508 8.4998 118.4975 54.3013 39.2631 176.9017 37 G 3.4882 8.0539 108.0893 46.7182 0.0000 174.8485 38 D 4.8274 8.1729 122.2188 52.7351 39.9045 176.6302 39 V 3.7358 7.9860 126.6528 64.1702 31.5998 178.1738 40 A 3.9095 7.8464 120.9202 55.1156 18.3441 179.5024 41 L 3.9721 8.0817 117.0168 58.0789 41.6911 179.3828 42 H 4.2456 8.3579 116.1471 58.7826 28.6385 177.7027 43 A 3.9616 8.0700 122.5778 54.9619 18.1412 179.4123 44 L 3.8566 8.0064 118.8346 58.6187 42.1184 179.2040 45 T 3.8879 8.1831 115.9324 66.9086 68.3956 176.2627 46 D 4.3489 8.3135 120.4185 57.2422 40.7712 178.6687 47 A 4.2124 8.0567 122.6104 54.5699 18.2478 179.6941 48 L 3.9424 8.1366 117.5479 58.0484 41.6756 179.7850 49 L 4.1017 8.3853 119.4287 57.6620 41.5092 179.8191 50 G 3.5784 8.6871 105.8085 47.8431 0.0000 175.5799 51 A 4.4607 8.2722 123.3811 53.7843 18.4322 178.5936 52 A 3.7556 7.4001 116.2545 50.8521 19.4332 176.7350 53 A 3.6986 7.5457 119.3577 53.4519 16.7254 177.9059 54 L 4.5828 8.3377 116.9128 55.6436 43.4370 177.2148 55 G 3.9839 9.6057 110.9248 44.5819 0.0000 177.0207 56 D 4.7372 8.4401 127.5146 50.8927 43.2187 174.9382 57 I 3.8279 9.1927 113.9281 64.1705 37.2231 178.5704 58 G 3.5727 8.1178 107.0170 47.3181 0.0000 175.5011 59 K 4.0577 8.1690 121.2438 59.2404 32.2738 178.7197 60 L 3.8867 7.5226 118.5870 55.9577 42.7562 177.4369 61 F 5.0314 7.5352 116.7756 54.4187 39.0193 172.9134 62 P 4.6293 0.0000 0.0000 61.7118 32.2944 177.5479 63 D 4.3205 8.7635 121.2744 57.7778 40.8143 177.5965 64 T 4.1123 7.7855 110.2956 62.3134 67.6624 173.3278 65 D 4.7016 8.0309 121.3668 53.2815 41.3622 174.4029 66 P 4.3399 0.0000 0.0000 65.1994 31.9159 178.4449 67 A 3.7893 7.9223 120.8570 55.0959 18.2930 178.3912 68 F 4.5869 8.0497 111.0714 56.7919 39.6615 175.4824 69 K 4.2379 7.6102 123.4742 57.8293 32.2412 177.1877 70 G 3.9461 8.9566 114.4304 45.1714 0.0000 173.5792 71 A 4.2747 7.5533 122.7127 51.8827 19.0210 177.1331 72 D 4.6692 8.9653 121.1725 52.6986 40.7381 177.9739 73 S 4.1431 9.0472 116.3558 61.3119 62.6463 177.3064 74 R 3.9390 7.9554 120.9459 59.0752 29.8302 178.5406 75 E 4.0145 8.6863 118.7285 59.3545 29.4403 179.4200 76 L 3.4781 7.5705 119.2478 57.2707 41.5493 179.2296 77 L 4.0047 7.9704 120.3212 58.3899 42.1103 179.3317 78 R 4.0832 8.0911 117.9789 59.2318 29.9438 178.7251 79 E 4.0736 8.4174 119.1025 58.9575 29.5819 178.5815 80 A 4.0082 8.3329 120.9878 55.0520 18.4270 179.3932 81 W 4.4511 8.5715 126.9717 60.6599 30.7054 178.1553 82 R 3.7225 8.1469 118.7527 59.4959 29.3243 178.8094 83 R 3.9690 7.7180 116.8357 59.0357 30.3850 178.8220 84 I 3.8974 8.0768 120.2729 64.4845 37.0681 178.5117 85 Q 3.9934 8.1082 120.2325 58.0557 28.1754 178.5303 86 A 3.9758 7.6866 120.9222 54.2736 18.4489 178.7717 87 K 4.2227 7.4758 114.7099 56.6167 32.4415 177.6855 88 G 3.7914 7.9737 108.1553 45.1680 0.0000 173.4230 89 Y 4.7794 7.4842 117.4006 57.0829 39.5212 174.1748 90 T 4.8230 8.8540 112.3246 59.6525 72.9599 172.2376 91 L 4.2684 8.8916 124.0234 55.0645 42.3507 175.5370 92 G 4.0003 9.3421 115.7302 46.7389 0.0000 173.2180 93 N 5.0916 7.5622 113.6202 51.4023 41.2282 173.4565 94 V 4.9688 8.6669 112.0658 59.8523 36.5216 174.3215 95 D 5.1880 8.9209 121.4907 52.8243 44.9542 174.2002 96 V 4.8313 8.8218 124.6811 61.3806 35.3727 174.2592 97 T 4.9537 9.1675 123.3190 61.8762 71.6670 173.0076 98 I 4.3453 8.9306 128.8571 60.5437 38.9954 175.2276 99 I 4.8608 8.8806 127.8794 59.9885 39.2953 174.5154 100 A 4.6643 8.4816 127.5982 50.9411 21.8158 176.2600 101 Q 3.9693 9.0776 123.2488 58.7773 29.6401 175.7961 102 A 4.3156 7.2224 116.5595 50.5995 21.5208 173.7191 103 P 4.4100 0.0000 0.0000 61.4151 32.4691 175.5019 104 K 4.0730 8.0724 120.1239 56.1668 33.1755 175.9215 *106 L 4.3766 8.3512 120.9803 54.5665 43.3853 176.9078 107 P 4.2476 0.0000 0.0000 65.2727 31.4067 176.8376 108 H 4.6434 7.9359 113.5797 56.3684 29.6075 177.0927 109 I 3.7057 7.4304 120.1227 63.9500 37.4059 175.4636 110 P 4.3234 0.0000 0.0000 65.7896 31.3807 178.6987 111 Q 3.7427 7.5670 118.9594 56.1421 28.5267 178.0868 *113 R 4.2202 8.1694 116.8080 55.8534 32.3396 178.2639 114 V 3.5302 7.6010 116.8179 66.0799 31.4394 178.1306 115 F 4.7348 7.8786 117.5041 60.7382 38.7149 177.8305 116 I 3.7223 7.8155 118.7880 64.3104 37.0568 178.1278 117 A 3.9547 8.2371 121.8355 55.2109 18.0333 179.5908 118 E 3.9816 8.5784 117.3869 59.7414 29.3462 179.3612 119 D 4.4410 8.1218 117.8799 56.5039 40.9658 177.7486 120 L 3.8466 7.8185 116.9510 53.0399 42.1958 176.4901 121 G 4.0123 7.7355 107.1675 46.8427 0.0000 172.9145 122 C 4.9625 7.7945 113.2282 55.7591 33.6555 174.7984 123 H 4.7729 7.9247 123.6093 55.9765 27.0680 177.6550 *125 D 4.5574 8.6017 126.0037 54.9413 42.5960 175.2712 126 D 4.7268 8.0916 117.4324 54.7314 41.3720 175.4540 127 V 4.7273 7.5157 119.4482 60.9716 34.0181 174.0605 128 N 5.1297 8.9944 125.9506 51.7893 42.4031 173.0430 129 V 5.0743 8.3298 123.8497 61.1598 35.1114 174.0764 130 K 4.8531 9.0619 124.9727 55.6778 36.7019 174.3013 131 A 5.1777 8.3027 119.9459 51.1591 22.4278 175.2139 132 T 4.7317 8.9720 113.2431 61.0387 71.5027 173.1614 133 T 4.8412 8.4117 116.4336 60.3014 71.5978 174.1150 134 T 4.4454 8.1115 108.6292 61.2289 69.3511 174.1785 135 E 3.9209 8.6345 118.0077 58.5698 27.3717 175.5067 136 K 4.1146 8.3370 112.2582 56.5937 31.0905 176.1943 137 L 4.4470 7.7384 119.4350 54.1819 43.3387 177.8052 138 G 4.3016 8.5145 110.6963 44.8224 0.0000 174.3394 139 F 4.3949 8.5777 113.3230 60.1318 37.5246 177.5700 140 T 4.1232 6.2079 111.2889 64.0846 68.5711 176.7324 141 G 3.6036 7.8673 108.4913 47.2518 0.0000 175.0428 142 R 4.3902 8.1999 117.8104 55.9466 30.2876 176.8932 143 G 4.1010 8.1524 107.0743 46.7467 0.0000 175.0345 144 E 4.3753 8.7268 122.0130 58.1986 30.0221 176.6760 145 G 3.9596 7.4064 105.1551 45.1065 0.0000 171.4080 146 I 4.8341 7.7356 118.5090 59.3280 41.1209 175.0463 147 A 5.0884 8.7883 126.3524 50.4773 23.0226 174.4990 148 C 5.0667 8.5201 118.2581 58.1874 35.5595 172.6897 149 E 5.4815 9.3930 124.6980 54.8769 32.6936 174.7919 150 A 5.1307 8.7576 122.4422 50.8312 23.3776 175.5614 151 V 5.0404 8.8710 111.7211 59.8483 36.5491 174.6681 152 A 5.1491 8.7574 122.9471 50.4772 23.2168 174.8353 153 L 5.1955 8.8672 121.8573 53.3096 44.8877 175.6210 154 L 5.3115 8.8535 125.9331 53.1845 44.7514 175.7624 155 I 4.8984 9.1306 121.1269 59.6399 40.8187 175.9155 156 K 4.1522 9.2720 126.4249 56.8137 32.0024 175.6365 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 0 E 8.30 4.29 0.00 2.10 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 0.00 2.19 2.45 0.00 *2 R 8.26 4.37 0.00 1.77 2.00 0.00 3.27 0.00 0.00 3.49 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 3 I 8.24 4.93 1.88 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 1.29 1.59 0.92 0.00 0.00 4 G 8.84 4.60 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 5 H 8.68 5.46 0.00 3.18 3.10 0.00 5.64 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 6 G 8.69 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 7 F 8.54 5.54 0.00 2.98 2.92 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 8 D 8.01 4.55 0.00 2.68 2.38 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 9 V 7.77 4.75 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 0.77 0.00 0.00 0.90 0.00 0.00 10 H 8.81 4.94 0.00 3.00 3.05 0.00 5.66 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 11 A 8.30 4.81 1.21 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 0.00 0.00 12 F 8.90 5.00 0.00 3.04 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 13 G 9.25 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 0.00 0.00 0.00 14 G 7.98 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 15 E 8.49 4.70 0.00 1.85 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 2.20 2.28 0.00 16 G 8.82 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 0.00 0.00 0.00 0.00 17 P 0.00 5.01 0.00 2.15 2.10 0.00 3.78 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 2.00 1.98 0.00 18 I 8.54 4.43 1.95 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 1.21 1.22 0.00 0.00 19 I 8.16 5.04 1.85 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 1.35 1.10 0.94 0.00 0.00 20 I 8.49 4.62 1.85 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 1.21 1.29 0.88 0.00 0.00 21 G 10.13 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 22 G 8.96 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 0.00 0.00 0.00 23 V 7.64 4.60 2.24 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 1.08 0.00 0.00 1.07 0.00 0.00 24 R 8.72 4.69 0.00 1.77 1.88 0.00 3.23 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 1.63 1.69 0.00 25 I 8.69 4.36 1.80 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 0.75 0.79 0.81 0.00 0.00 26 P 0.00 4.66 0.00 1.99 2.03 0.00 3.74 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 2.07 2.13 0.00 27 Y 8.13 4.91 0.00 2.96 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 28 E 7.49 3.85 0.00 1.82 1.67 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 0.00 1.47 1.78 0.00 29 K 7.04 4.75 0.00 1.43 1.71 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 0.91 7.81 30 G 8.27 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 0.00 0.00 0.00 0.00 31 L 8.32 5.26 0.00 1.53 1.56 0.91 0.62 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 32 L 8.91 4.35 0.00 1.70 1.59 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.00 4.30 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.73 4.28 0.00 3.18 3.36 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.66 4.58 0.00 3.99 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 36 D 8.50 4.35 0.00 2.75 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 37 G 8.05 3.49 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 0.00 0.00 0.00 38 D 8.17 4.83 0.00 2.78 2.44 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 39 V 7.99 3.74 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 0.72 0.00 0.00 0.83 0.00 0.00 40 A 7.85 3.91 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 41 L 8.08 3.97 0.00 1.67 1.73 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.36 4.25 0.00 3.38 3.32 0.00 5.64 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 43 A 8.07 3.96 1.34 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 0.00 0.00 0.00 0.00 0.00 44 L 8.01 3.86 0.00 1.80 1.86 0.86 0.65 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 45 T 8.18 3.89 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 1.31 0.00 0.00 46 D 8.31 4.35 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 47 A 8.06 4.21 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 3.94 0.00 1.92 1.88 0.80 0.70 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 49 L 8.39 4.10 0.00 1.84 1.69 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.69 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.27 4.46 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.40 3.76 1.10 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 53 A 7.55 3.70 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 54 L 8.34 4.58 0.00 1.59 1.64 0.92 1.13 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 55 G 9.61 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 56 D 8.44 4.74 0.00 3.08 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 57 I 9.19 3.83 2.00 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 1.82 0.83 1.00 0.00 0.00 58 G 8.12 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 4.06 0.00 1.74 1.93 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.44 7.81 60 L 7.52 3.89 0.00 1.01 0.13 0.72 0.47 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 61 F 7.54 5.03 0.00 2.97 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 62 P 0.00 4.63 0.00 2.21 1.99 0.00 3.97 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 63 D 8.76 4.32 0.00 2.67 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 64 T 7.79 4.11 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 1.23 0.00 0.00 65 D 8.03 4.70 0.00 2.74 2.78 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 66 P 0.00 4.34 0.00 2.21 2.08 0.00 3.70 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 67 A 7.92 3.79 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 68 F 8.05 4.59 0.00 3.07 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 69 K 7.61 4.24 0.00 1.69 1.88 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.40 7.81 70 G 8.96 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 71 A 7.55 4.27 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.97 4.67 0.00 2.99 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 73 S 9.05 4.14 0.00 3.83 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 74 R 7.96 3.94 0.00 1.94 1.88 0.00 2.68 0.00 0.00 2.96 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 75 E 8.69 4.01 0.00 2.12 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 2.33 2.62 0.00 76 L 7.57 3.48 0.00 1.60 1.32 0.64 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.97 4.00 0.00 1.84 1.83 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.09 4.08 0.00 2.10 2.06 0.00 3.23 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.83 0.00 79 E 8.42 4.07 0.00 2.21 1.98 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 2.23 2.48 0.00 80 A 8.33 4.01 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 81 W 8.57 4.45 0.00 3.49 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 82 R 8.15 3.72 0.00 1.97 2.12 0.00 3.17 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 83 R 7.72 3.97 0.00 1.95 1.94 0.00 3.12 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 84 I 8.08 3.90 1.88 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.04 0.85 0.00 0.00 85 Q 8.11 3.99 0.00 1.68 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.53 1.16 0.00 86 A 7.69 3.98 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 87 K 7.48 4.22 0.00 2.08 1.87 0.00 1.73 0.00 0.00 1.90 0.00 0.00 3.13 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.63 7.81 88 G 7.97 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 89 Y 7.48 4.78 0.00 2.96 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 90 T 8.85 4.82 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 1.25 0.00 0.00 91 L 8.89 4.27 0.00 1.66 1.66 0.71 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 92 G 9.34 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 93 N 7.56 5.09 0.00 2.87 2.88 0.00 0.00 5.73 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 94 V 8.67 4.97 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 0.55 0.00 0.00 0.91 0.00 0.00 95 D 8.92 5.19 0.00 2.75 2.43 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 96 V 8.82 4.83 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 0.98 0.00 0.00 0.90 0.00 0.00 97 T 9.17 4.95 4.27 0.00 0.00 0.00 0.00 0.00 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 98 I 8.93 4.35 1.85 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 1.20 0.71 0.87 0.00 0.00 99 I 8.88 4.86 1.86 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 1.17 0.78 0.85 0.00 0.00 100 A 8.48 4.66 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 9.08 3.97 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 102 A 7.22 4.32 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 0.00 103 P 0.00 4.41 0.00 2.11 1.96 0.00 3.48 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.51 0.00 104 K 8.07 4.07 0.00 1.72 1.79 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.48 7.81 *106 L 8.35 4.38 0.00 1.77 1.66 0.90 0.89 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 0.00 107 P 0.00 4.25 0.00 1.78 1.98 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 108 H 7.94 4.64 0.00 3.24 3.32 0.00 5.83 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.43 3.71 2.01 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 1.29 0.46 0.91 0.00 0.00 110 P 0.00 4.32 0.00 2.10 2.05 0.00 3.62 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 2.07 2.05 0.00 111 Q 7.57 3.74 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.39 0.00 0.00 0.00 0.00 0.00 2.09 1.51 0.00 *113 R 8.17 4.22 0.00 2.05 1.96 0.00 3.16 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 114 V 7.60 3.53 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 1.12 0.00 0.00 0.91 0.00 0.00 115 F 7.88 4.73 0.00 3.09 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 0.00 116 I 7.82 3.72 1.86 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 1.57 0.68 0.83 0.00 0.00 117 A 8.24 3.95 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.58 3.98 0.00 2.22 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 0.00 2.39 2.70 0.00 119 D 8.12 4.44 0.00 2.77 2.71 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 0.00 120 L 7.82 3.85 0.00 1.28 0.86 0.56 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 121 G 7.74 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 0.00 122 C 7.79 4.96 0.00 3.17 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 0.00 123 H 7.92 4.77 0.00 3.23 2.96 0.00 5.67 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *125 D 8.60 4.56 0.00 2.67 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 D 8.09 4.73 0.00 2.88 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 0.00 127 V 7.52 4.73 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 0.74 0.00 0.00 0.87 0.00 0.00 128 N 8.99 5.13 0.00 2.84 2.74 0.00 0.00 6.14 7.87 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 0.00 129 V 8.33 5.07 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 0.88 0.00 0.00 0.91 0.00 0.00 130 K 9.06 4.85 0.00 1.79 1.85 0.00 1.34 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.37 7.81 131 A 8.30 5.18 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 0.00 132 T 8.97 4.73 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 0.00 133 T 8.41 4.84 4.43 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 1.24 0.00 0.00 134 T 8.11 4.45 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 1.13 0.00 0.00 135 E 8.63 3.92 0.00 2.13 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 2.24 2.39 0.00 136 K 8.34 4.11 0.00 1.93 1.93 0.00 1.86 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.51 7.81 137 L 7.74 4.45 0.00 1.77 1.56 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.51 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 0.00 139 F 8.58 4.39 0.00 3.44 3.35 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 0.00 140 T 6.21 4.12 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 0.58 0.00 0.00 141 G 7.87 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 0.00 142 R 8.20 4.39 0.00 1.88 2.06 0.00 3.30 0.00 0.00 3.27 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 143 G 8.15 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 0.00 144 E 8.73 4.38 0.00 2.41 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 2.44 2.41 0.00 145 G 7.41 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 0.00 146 I 7.74 4.83 1.64 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 0.37 0.87 0.00 0.00 147 A 8.79 5.09 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 0.00 148 C 8.52 5.07 0.00 2.87 2.71 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 0.00 149 E 9.39 5.48 0.00 2.00 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 2.70 2.41 0.00 150 A 8.76 5.13 1.14 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 0.00 151 V 8.87 5.04 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 0.87 0.00 0.00 0.94 0.00 0.00 152 A 8.76 5.15 1.17 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 0.00 0.00 153 L 8.87 5.20 0.00 1.75 1.50 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.85 5.31 0.00 1.46 1.62 0.62 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 155 I 9.13 4.90 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.80 0.96 0.00 0.00 156 K 9.27 4.15 0.00 1.48 1.78 0.00 0.87 0.00 0.00 1.81 0.00 0.00 2.73 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.19 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.