NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.7994 8.2833 117.7929 51.9694 40.5975 176.4764 5 P 4.2179 0.0000 0.0000 64.6070 31.4550 177.3569 6 L 4.0101 8.0725 117.7912 57.5588 41.9607 178.6788 7 L 3.9441 7.8402 119.9932 58.2784 42.0020 178.7931 8 E 4.0073 8.3395 117.0465 58.8846 29.5434 178.9821 9 R 4.0247 7.9491 119.9648 59.1363 30.2365 177.9509 10 A 4.0590 8.5622 120.9728 55.5162 18.4221 179.9134 11 R 3.9811 8.3471 116.3033 58.9316 29.7601 179.4113 12 R 4.0149 7.5819 116.6884 58.6569 30.1682 178.1592 13 F 4.3702 8.0919 119.4838 61.7355 39.2230 176.6647 14 L 4.3097 7.9477 118.6965 57.6718 41.7746 178.8374 15 S 4.1658 8.0194 114.2705 61.0210 62.8143 175.6304 16 A 4.3014 7.5749 120.0905 51.9894 18.8437 177.0650 17 L 4.4590 7.1164 118.2113 53.6591 42.9516 177.4991 18 R 4.0690 8.5528 121.6670 59.5735 29.8437 178.0706 19 H 4.0837 8.3402 119.4459 59.0979 29.7117 176.7085 20 C 4.1467 8.1093 117.5969 62.9088 28.1075 175.9581 21 Q 4.0348 8.1735 119.7712 58.6955 28.0554 178.7404 22 V 3.6258 7.7127 118.2930 65.9532 31.7562 177.7411 23 L 4.1705 8.1008 117.8275 55.4051 41.4518 177.5153 24 G 3.8489 7.7502 105.8759 46.1172 0.0000 173.7466 25 L 4.9690 8.0849 119.3411 54.5061 42.2389 177.0578 26 T 4.6884 8.2508 111.6125 59.7655 72.9847 173.0955 27 V 4.1184 8.2917 122.8545 62.4498 31.2945 175.6190 28 E 4.3344 9.2029 128.6345 59.0950 29.7337 177.4708 29 A 4.8741 7.8707 119.0355 50.6748 23.2123 175.0624 30 A 4.8380 8.3464 121.9751 51.4080 22.3274 175.6585 31 D 4.6785 8.7002 124.8881 52.9531 42.2028 176.1310 32 E 4.0416 9.0760 116.0518 59.9321 29.8233 174.9182 33 K 4.2069 8.7020 119.6106 56.4556 32.1646 181.2120 34 G 3.9226 6.4603 104.1300 44.0763 0.0000 170.6605 35 L 5.0589 7.9906 121.7681 53.4478 45.4616 176.0229 36 T 5.2461 9.0538 122.8061 61.9224 71.0971 173.2073 37 L 5.1373 9.2328 126.5081 52.9041 45.2680 175.3008 38 R 4.5339 9.1711 122.3608 54.3706 32.9290 174.5518 39 L 4.6278 8.4207 128.4557 52.2434 43.9576 173.8533 40 P 4.7227 0.0000 0.0000 62.4489 32.2292 177.1122 41 Y 4.1919 9.2542 121.4715 60.3503 37.3884 179.0432 42 S 4.0454 7.1292 115.4294 60.8822 62.8260 175.4400 43 Q 4.1309 7.5003 118.1408 56.2856 29.2018 176.4590 44 A 4.6447 7.8544 121.6326 51.2053 20.2853 176.7819 45 I 4.0547 6.8609 118.5966 61.6596 37.5771 175.1608 46 I 4.3144 8.7821 126.1680 60.1890 39.9832 176.3575 47 G 3.7341 8.6669 115.0050 44.1968 0.0000 171.3995 48 N 4.1690 8.8100 117.7728 53.7517 38.9955 175.1076 49 P 4.3188 0.0000 0.0000 65.8506 31.8765 178.3407 50 E 4.2302 8.4777 114.2095 58.7677 29.7142 182.9733 51 S 4.2174 7.9788 114.7943 60.8719 63.1479 176.3872 52 G 3.7956 8.3743 107.5666 45.8062 0.0000 173.6183 53 V 3.6560 7.8142 120.1615 61.9384 31.8267 175.4119 54 V 4.0109 8.2188 127.8411 61.6641 32.3051 175.1311 55 H 4.5292 8.7728 123.8377 55.2799 30.7200 175.8737 56 G 3.8304 8.9073 113.7579 48.2823 0.0000 175.7498 57 G 3.5726 7.1157 106.8994 47.5109 0.0000 175.4651 58 A 4.1037 7.9871 122.7925 54.8614 18.1556 179.7799 59 I 3.7505 7.6636 117.3779 64.4939 37.3696 178.2028 60 T 4.0591 7.9341 116.1666 66.8336 68.5041 176.4893 61 T 3.9933 7.8668 117.5796 66.5194 68.5052 176.2466 62 L 3.6857 7.8714 120.9807 57.0453 42.3640 177.7047 *64 D 4.6375 7.9218 117.2868 55.2079 43.1184 177.5490 65 T 3.7647 8.2448 115.9925 66.7460 68.4219 176.8389 66 T 3.6574 8.0870 118.0147 66.7706 68.2666 176.3018 67 C 4.0366 7.9241 116.5624 62.6974 28.4291 175.7580 68 G 2.9185 7.7368 107.3784 47.8194 0.0000 175.6003 69 I 2.9663 7.3672 122.3392 62.4950 37.0364 178.2844 70 S 4.0172 7.5794 115.2793 60.6663 62.6225 176.2715 71 T 3.7917 7.3495 114.0312 64.7463 68.0337 176.5372 72 V 3.7122 7.6958 114.6152 64.1357 31.5513 177.7841 73 C 4.3422 8.0559 115.9256 61.6927 27.9943 174.5385 74 V 4.3249 7.9237 111.1020 60.4658 33.0941 175.1852 75 L 4.6437 7.6995 120.4782 52.0116 42.9493 174.3470 76 P 4.3691 0.0000 0.0000 65.5567 31.4100 176.4834 77 D 4.8486 7.6366 116.9941 51.6035 42.5472 175.9590 78 F 4.2605 8.6293 124.0288 58.4866 39.7240 174.3475 79 E 3.9278 7.6574 124.0676 54.8044 32.0098 174.3177 80 I 3.6222 7.4544 122.0107 60.3614 37.9843 175.1392 81 C 4.6066 8.4884 123.5348 57.1180 28.3949 172.0241 82 P 4.4686 0.0000 0.0000 62.4442 31.6141 176.4678 83 T 3.7755 8.5909 118.8773 64.1274 68.9476 173.8298 84 L 4.5291 8.3937 126.2158 56.2373 43.4346 176.5972 85 D 4.6501 7.1444 115.3495 52.2481 42.4565 174.3246 86 L 5.2098 8.2515 121.0799 53.6592 45.6597 175.4104 87 R 4.7755 9.2180 123.6225 54.5157 34.1001 174.2680 88 I 5.0223 8.4840 123.3101 59.5985 40.8324 174.5777 89 D 4.7997 9.0099 125.9235 52.6685 44.2170 175.4574 90 Y 5.0256 8.9042 121.8692 57.1043 39.3290 174.8186 *92 H 4.6516 8.4757 114.9281 54.6233 29.5685 171.3994 93 P 4.3650 0.0000 0.0000 62.3764 31.7681 176.1947 94 A 4.3093 8.3894 123.4361 52.3126 18.9813 177.4132 95 E 4.2266 9.1035 122.0188 55.3825 30.4338 175.6752 96 P 4.2230 0.0000 0.0000 63.9307 32.0396 176.6193 97 H 2.6490 8.4333 115.8514 55.7661 25.9127 174.6916 98 K 4.6932 7.1261 117.3433 54.3391 35.1347 176.2984 99 D 4.6963 9.0844 123.8629 54.5614 42.0405 175.6021 100 V 4.3742 8.2670 120.9596 61.3694 34.0812 173.8606 101 Y 4.6795 8.7101 125.7283 56.0122 40.6034 174.7302 102 G 4.2517 8.9158 111.1815 44.3593 0.0000 171.8302 103 F 5.5223 8.7276 127.5065 56.6341 42.3868 174.0052 104 A 4.7494 7.5664 124.6606 51.0024 23.4681 174.8271 105 E 4.7054 8.5379 119.2135 55.0337 33.5456 174.3215 106 C 4.9829 8.8892 125.5469 60.3037 28.3321 172.9449 107 Y 4.9019 8.8906 120.3642 56.8053 40.0367 175.7981 108 R 4.6294 7.3305 120.0855 54.6017 33.8585 173.5044 109 V 4.7918 8.5036 125.2242 61.3994 33.9587 174.3114 110 T 4.7759 8.9264 121.5644 59.1624 70.5889 171.5559 111 P 4.3975 0.0000 0.0000 65.4482 31.2608 176.9611 112 N 5.0612 8.0778 110.4511 52.5193 40.5894 174.7565 113 V 4.5408 7.6782 119.0509 60.9835 35.3502 173.8008 114 I 4.9236 8.7265 128.3667 59.6292 39.8245 174.3289 115 F 5.0470 9.4227 126.5398 56.1904 40.8053 174.9905 116 T 5.3427 9.3246 117.8488 60.4755 71.4280 172.3420 117 R 5.1965 9.1117 124.9863 55.4233 34.2514 174.6060 118 G 5.0777 9.3781 110.5086 47.9399 0.0000 171.5533 119 F 5.4870 8.3539 112.7284 56.1624 41.2960 172.7428 120 A 5.3830 8.8404 121.7233 50.8165 21.9310 175.2160 121 Y 4.6753 8.4837 117.6056 57.6180 41.7086 173.4587 122 Q 4.8622 9.2554 116.4403 56.9138 31.9128 177.0547 123 D 4.5291 8.6813 121.8814 56.6500 42.2967 176.3847 124 D 4.8463 7.9771 119.5353 51.3827 42.6929 174.3580 125 P 3.6038 0.0000 0.0000 64.6803 31.2121 177.1826 126 G 3.7305 8.4432 107.0554 45.9080 0.0000 174.3609 127 Q 4.5965 7.8213 120.0576 53.4200 28.0591 173.3367 128 P 4.7573 0.0000 0.0000 62.4762 32.6271 177.1737 129 I 3.7641 8.7256 115.8032 63.2612 38.9986 175.3785 130 A 4.7846 7.6803 122.3929 51.0929 22.4017 174.6888 131 H 5.6107 9.0885 117.5707 54.0873 32.3236 173.8879 132 V 5.6456 8.7348 120.0145 59.6255 35.0228 174.4706 133 V 5.1258 8.5248 115.6170 59.8927 35.9607 174.6292 134 G 4.4694 9.6539 109.9855 44.7847 0.0000 171.1761 135 A 4.9210 8.1700 122.5299 49.9341 21.9824 175.6511 136 F 4.8251 8.6132 120.1772 54.9575 43.5126 175.6455 *138 R 4.0502 8.6388 118.1550 57.4995 29.5802 175.3292 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 4 N 8.28 4.80 0.00 2.67 2.85 0.00 0.00 6.79 6.88 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 5 P 0.00 4.22 0.00 2.25 2.13 0.00 3.58 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.24 0.00 6 L 8.07 4.01 0.00 1.75 1.73 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.84 3.94 0.00 1.77 1.86 0.97 0.92 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 8 E 8.34 4.01 0.00 2.25 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 2.60 2.40 0.00 9 R 7.95 4.02 0.00 2.17 2.04 0.00 3.29 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.73 0.00 10 A 8.56 4.06 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 11 R 8.35 3.98 0.00 2.09 2.00 0.00 3.13 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 12 R 7.58 4.01 0.00 2.01 1.81 0.00 3.02 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.84 0.00 13 F 8.09 4.37 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 14 L 7.95 4.31 0.00 1.88 1.80 0.88 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.02 4.17 0.00 4.07 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 16 A 7.57 4.30 1.39 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 0.00 0.00 17 L 7.12 4.46 0.00 1.85 1.67 1.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.55 4.07 0.00 2.02 2.19 0.00 3.18 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 19 H 8.34 4.08 0.00 3.22 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 C 8.11 4.15 0.00 3.17 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 21 Q 8.17 4.03 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 22 V 7.71 3.63 2.22 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 0.86 0.00 0.00 1.00 0.00 0.00 23 L 8.10 4.17 0.00 1.90 1.70 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.75 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 25 L 8.08 4.97 0.00 1.65 1.58 0.86 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.25 4.69 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 1.20 0.00 0.00 27 V 8.29 4.12 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 0.80 0.00 0.00 0.94 0.00 0.00 28 E 9.20 4.33 0.00 2.20 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 0.00 2.55 2.84 0.00 29 A 7.87 4.87 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 30 A 8.35 4.84 1.22 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 31 D 8.70 4.68 0.00 2.87 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 32 E 9.08 4.04 0.00 2.01 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 2.23 1.88 0.00 33 K 8.70 4.21 0.00 1.74 1.76 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.26 7.81 34 G 6.46 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 35 L 7.99 5.06 0.00 1.54 1.25 0.87 0.80 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 36 T 9.05 5.25 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 1.46 0.00 0.00 37 L 9.23 5.14 0.00 1.49 1.46 0.85 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 38 R 9.17 4.53 0.00 1.84 1.68 0.00 3.14 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.82 0.00 39 L 8.42 4.63 0.00 1.60 1.49 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.72 0.00 2.08 2.05 0.00 3.76 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 2.11 1.94 0.00 41 Y 9.25 4.19 0.00 3.19 3.31 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 42 S 7.13 4.05 0.00 3.88 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.50 4.13 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.56 0.00 44 A 7.85 4.64 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 45 I 6.86 4.05 1.91 0.00 0.00 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 1.28 0.92 0.95 0.00 0.00 46 I 8.78 4.31 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.77 0.94 0.00 0.00 47 G 8.67 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 48 N 8.81 4.17 0.00 2.81 2.76 0.00 0.00 6.95 7.71 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 49 P 0.00 4.32 0.00 2.12 2.14 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 50 E 8.48 4.23 0.00 2.01 1.86 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 2.26 2.15 0.00 51 S 7.98 4.22 0.00 4.01 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 52 G 8.37 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 53 V 7.81 3.66 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 1.07 0.00 0.00 0.92 0.00 0.00 54 V 8.22 4.01 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 0.75 0.00 0.00 0.96 0.00 0.00 55 H 8.77 4.53 0.00 3.22 3.22 0.00 5.63 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 56 G 8.91 3.83 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 0.00 0.00 0.00 57 G 7.12 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 58 A 7.99 4.10 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 59 I 7.66 3.75 2.18 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.62 0.99 0.00 0.00 60 T 7.93 4.06 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 61 T 7.87 3.99 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 1.06 0.00 0.00 62 L 7.87 3.69 0.00 1.73 1.75 0.82 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 *64 D 7.92 4.64 0.00 2.91 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 65 T 8.24 3.76 4.16 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 1.08 0.00 0.00 66 T 8.09 3.66 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 1.07 0.00 0.00 67 C 7.92 4.04 0.00 3.21 3.27 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 68 G 7.74 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 0.00 0.00 0.00 69 I 7.37 2.97 1.49 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.15 0.60 0.00 0.00 70 S 7.58 4.02 0.00 3.88 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 71 T 7.35 3.79 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 1.05 0.00 0.00 72 V 7.70 3.71 2.16 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 0.96 0.00 0.00 0.97 0.00 0.00 73 C 8.06 4.34 0.00 2.96 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 74 V 7.92 4.32 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 0.97 0.00 0.00 75 L 7.70 4.64 0.00 1.61 1.71 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.37 0.00 2.19 2.19 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 77 D 7.64 4.85 0.00 2.69 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 78 F 8.63 4.26 0.00 2.94 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 E 7.66 3.93 0.00 1.81 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 2.04 2.16 0.00 80 I 7.45 3.62 1.59 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 -0.33 0.86 0.00 0.00 81 C 8.49 4.61 0.00 2.97 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 82 P 0.00 4.47 0.00 2.19 1.99 0.00 3.62 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 83 T 8.59 3.78 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 0.99 0.00 0.00 84 L 8.39 4.53 0.00 1.34 1.53 0.75 1.11 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 85 D 7.14 4.65 0.00 2.61 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 86 L 8.25 5.21 0.00 1.52 1.49 1.03 0.89 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 87 R 9.22 4.78 0.00 1.73 1.77 0.00 3.30 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 88 I 8.48 5.02 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.62 0.69 0.00 0.00 89 D 9.01 4.80 0.00 2.55 2.57 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 90 Y 8.90 5.03 0.00 2.93 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 *92 H 8.48 4.65 0.00 3.33 3.41 0.00 5.53 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 93 P 0.00 4.36 0.00 2.22 2.09 0.00 3.88 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 1.99 0.00 94 A 8.39 4.31 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 95 E 9.10 4.23 0.00 1.95 1.88 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 2.36 2.33 0.00 96 P 0.00 4.22 0.00 1.72 1.82 0.00 3.64 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 2.03 0.00 97 H 8.43 2.65 0.00 3.06 2.97 0.00 5.66 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.13 4.69 0.00 1.71 1.70 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.49 7.81 99 D 9.08 4.70 0.00 2.54 2.33 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.27 4.37 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 0.86 0.00 0.00 0.91 0.00 0.00 101 Y 8.71 4.68 0.00 1.60 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.92 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 0.00 0.00 0.00 0.00 103 F 8.73 5.52 0.00 2.88 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 0.00 0.00 0.00 104 A 7.57 4.75 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.54 4.71 0.00 1.95 1.83 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 2.33 2.50 0.00 106 C 8.89 4.98 0.00 2.91 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 0.00 107 Y 8.89 4.90 0.00 2.88 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 0.00 108 R 7.33 4.63 0.00 1.63 1.24 0.00 2.36 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 109 V 8.50 4.79 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 0.86 0.00 0.00 0.95 0.00 0.00 110 T 8.93 4.78 4.49 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 1.37 0.00 0.00 111 P 0.00 4.40 0.00 2.09 2.13 0.00 3.70 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 2.05 2.14 0.00 112 N 8.08 5.06 0.00 2.55 2.77 0.00 0.00 6.58 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 0.00 113 V 7.68 4.54 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 0.17 0.00 0.00 0.87 0.00 0.00 114 I 8.73 4.92 1.90 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 1.24 0.68 0.97 0.00 0.00 115 F 9.42 5.05 0.00 2.03 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 0.00 0.00 0.00 116 T 9.32 5.34 4.34 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 1.51 0.00 0.00 117 R 9.11 5.20 0.00 1.95 1.79 0.00 3.10 0.00 0.00 2.97 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.92 0.00 118 G 9.38 5.08 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 0.00 0.00 0.00 119 F 8.35 5.49 0.00 3.26 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 0.00 120 A 8.84 5.38 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 0.00 121 Y 8.48 4.68 0.00 3.38 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.26 4.86 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.10 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 123 D 8.68 4.53 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 0.00 124 D 7.98 4.85 0.00 2.65 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 0.00 125 P 0.00 3.60 0.00 1.83 1.15 0.00 3.71 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 126 G 8.44 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 0.00 127 Q 7.82 4.60 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 128 P 0.00 4.76 0.00 1.85 2.02 0.00 3.61 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 129 I 8.73 3.76 2.07 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 1.35 0.75 1.01 0.00 0.00 130 A 7.68 4.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 9.09 5.61 0.00 3.05 3.19 0.00 5.58 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.73 5.65 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 1.17 0.00 0.00 1.00 0.00 0.00 133 V 8.52 5.13 2.28 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 0.83 0.00 0.00 1.02 0.00 0.00 134 G 9.65 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.17 4.92 0.79 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 0.00 136 F 8.61 4.83 0.00 2.85 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 *138 R 8.64 4.05 0.00 2.03 1.94 0.00 3.05 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.