NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3999 8.1849 120.5818 54.0521 43.2858 176.3071 3 K 3.9083 8.7249 122.7104 56.9146 33.2649 173.8969 4 Q 5.1720 9.6463 123.8117 54.4998 31.3098 175.0511 5 V 4.8847 8.6810 115.8845 59.8247 36.9518 174.0069 6 E 4.9383 9.1030 121.0994 54.6379 33.1605 175.2478 7 I 5.0408 8.1744 123.6014 59.4523 41.1513 174.3973 8 F 5.4262 9.2080 124.8072 55.9523 42.1311 174.4303 9 T 5.3451 8.8736 112.1058 60.7149 72.1055 172.5780 10 D 4.7754 8.9507 120.5055 53.4410 45.1729 174.2727 11 G 4.4431 8.8004 110.9638 44.6422 0.0000 171.8264 12 S 5.0337 9.2434 116.4054 56.7904 66.4744 172.2489 13 C 5.1674 8.3873 123.9691 58.2940 33.9952 173.8557 14 L 4.3137 9.1178 125.5252 56.1258 42.0197 176.6717 15 G 4.0548 7.4167 105.4490 45.3468 0.0000 172.1056 16 N 5.0500 8.2712 112.5665 52.3325 39.4201 173.2032 17 P 4.6533 0.0000 0.0000 61.6342 34.0943 175.4576 18 G 4.0086 8.3356 105.8889 45.1969 0.0000 170.7119 19 P 4.8630 0.0000 0.0000 62.6728 32.4944 176.3389 20 G 4.4213 9.1810 110.1278 45.6339 0.0000 170.9471 21 G 4.6771 9.0329 106.0923 45.7288 0.0000 171.9104 22 Y 5.5550 8.2775 117.5052 55.1954 42.1317 174.6712 23 G 4.7124 9.3713 106.2554 44.9853 0.0000 171.5593 24 A 5.5035 9.5655 124.6570 50.5549 23.5305 175.0018 25 I 5.1263 9.1013 120.2844 59.4429 41.3363 174.2280 26 L 5.2087 9.4611 129.0225 53.2863 44.6096 174.8946 27 R 5.2563 9.3454 126.6379 54.7527 33.6691 173.4133 28 Y 4.8700 8.9215 126.6439 56.2193 42.0728 175.2487 29 R 3.5687 9.5393 126.9176 56.9938 27.8921 176.8657 30 G 4.0585 8.3740 106.3000 45.5066 0.0000 174.8830 31 R 4.1627 8.0280 119.7162 55.8866 30.6713 175.0061 32 E 5.2826 8.6634 121.7836 54.4741 32.4358 175.3512 33 K 4.5183 9.3444 123.1268 54.8444 35.0042 175.2526 34 T 4.9664 8.0752 120.5679 61.7829 71.2330 173.7233 35 F 5.2078 9.0072 123.1612 56.0527 43.3756 174.0043 36 S 4.9606 8.9694 113.1446 58.6886 65.2869 174.6561 37 A 4.3151 6.9939 121.2581 50.9263 22.4952 175.1614 38 G 4.3748 8.3011 107.2297 44.5491 0.0000 171.6101 39 Y 5.3303 9.2194 120.9110 55.9361 40.9647 177.0589 40 T 3.9106 9.0341 113.8739 64.4623 70.2387 173.9431 41 R 4.7090 7.9039 121.9605 55.5447 32.5536 173.5478 42 T 4.0964 8.5318 123.1390 61.5705 70.9700 172.1900 43 T 4.7817 7.9065 108.3304 58.9607 72.3639 174.0208 44 N 4.2296 8.6648 120.2669 56.9223 38.9370 176.6914 45 N 4.0571 7.8578 117.2243 56.4508 38.5610 177.4498 46 R 3.8565 7.6506 118.9503 59.4577 30.0974 179.0921 47 M 4.0925 8.0403 118.3642 58.2308 32.0833 178.6194 48 A 4.0770 8.1425 120.9971 55.1061 18.5351 179.7822 49 L 3.8685 7.7145 116.9893 58.0946 41.6654 179.1965 50 M 3.7276 8.2766 118.3357 58.4282 32.0881 178.0522 51 A 3.5880 7.9329 120.5298 55.0479 18.5308 179.5295 52 A 3.9028 7.5164 118.0346 55.2092 18.4524 179.7292 53 I 3.5322 7.6645 118.3362 64.6214 37.0046 178.7150 54 V 3.3056 7.3213 117.1613 65.7973 31.4197 177.6023 55 A 3.5444 7.4152 119.7797 55.0527 18.3286 179.6639 56 L 3.8256 7.9288 117.7151 57.8777 41.5014 179.3515 57 E 4.1126 8.3197 116.8287 58.1014 29.4916 178.2377 58 A 4.2212 7.2305 119.7690 52.1865 19.1150 177.4155 59 L 4.1428 7.2614 118.2501 54.4771 42.2508 177.0589 60 K 4.5145 8.4751 121.2567 55.8337 32.6052 175.4311 61 E 4.6487 7.5174 115.3401 54.8792 32.0351 174.3453 62 H 4.4732 8.6300 117.3585 56.1096 29.1075 174.6795 63 C 5.0863 9.0646 119.7131 57.8690 33.0560 172.8963 64 E 4.7515 9.2307 120.9834 55.5112 30.3612 175.4931 65 V 4.6836 8.8866 125.7485 60.9567 34.4493 174.3694 66 I 4.4844 8.0564 128.2872 59.6617 39.0643 174.3476 67 L 4.4985 8.1798 131.0479 53.2963 43.7190 174.8908 68 S 5.1694 8.7412 122.5818 57.0029 64.2368 172.7060 69 T 5.4148 8.9825 121.2778 60.8578 70.9963 173.5846 70 D 5.6159 8.8700 124.7004 52.6244 40.5092 176.8128 71 S 4.2903 8.1215 116.2651 58.7847 63.1362 174.6333 72 Q 3.9338 8.7671 128.7935 58.7412 28.6463 177.8857 73 Y 4.0414 7.9676 120.3746 60.7041 38.9320 177.9646 74 V 3.7009 8.0707 119.2340 65.9223 31.6524 177.7804 75 R 2.0000 7.3133 117.8487 58.8143 29.6401 178.2148 76 Q 3.2871 7.5930 119.4883 58.7926 28.9288 178.5084 77 G 2.3073 6.8292 106.4715 47.2581 0.0000 175.8228 78 I 3.5813 7.3128 121.7966 63.7263 37.2129 177.8809 79 T 4.1329 7.1265 107.7603 62.3305 69.2189 175.3973 80 Q 4.1852 7.4375 118.2565 55.0702 31.7392 176.5693 81 W 3.9969 6.7649 116.2471 57.7535 30.3607 177.6038 82 I 3.1789 7.0694 118.7612 64.3476 37.0100 177.2134 83 H 4.0081 7.7320 116.9082 59.4514 30.0979 176.5377 84 N 4.3315 7.7755 117.6887 55.8311 38.3839 177.2198 85 W 4.1482 7.6445 120.3939 59.7267 28.9197 178.5233 86 K 3.8963 7.3325 115.4019 58.0151 31.4679 178.0989 87 A 4.4868 7.5757 119.8263 52.2005 19.6144 177.7169 88 R 4.4060 7.4153 115.2260 55.5623 30.6434 176.3973 89 G 4.3136 8.5173 104.4979 46.5321 0.0000 174.0514 90 W 3.2724 8.2300 115.2793 57.4883 26.8704 174.1306 91 K 4.9164 7.4109 115.1650 54.5857 36.0934 177.3310 92 T 4.2719 8.7831 111.7239 60.6624 70.4634 175.2633 93 A 3.9924 8.4234 123.2147 55.5363 18.4006 178.0459 94 D 4.6404 8.0295 113.4900 54.1453 40.6671 176.5349 95 K 3.8863 7.6937 116.0283 57.1975 30.3390 175.4940 96 K 4.4872 7.6527 118.3248 54.1945 33.4754 174.4466 97 P 4.5788 0.0000 0.0000 62.8060 31.8879 176.8543 98 V 3.6928 7.8134 116.1384 60.7742 32.7122 175.7289 99 K 3.9462 8.4785 125.0125 57.3463 33.0162 176.0268 100 N 4.5423 9.1107 122.0863 54.4387 36.3509 176.6606 101 V 3.6549 7.5868 122.1400 64.9949 31.1905 177.3840 102 D 4.2465 8.0672 119.1415 56.5173 39.0583 178.5535 103 L 4.1199 7.8231 119.9691 56.7839 41.7853 179.1944 104 W 4.4422 8.4843 119.2097 59.9762 29.0347 178.6224 105 Q 3.4975 8.2916 118.2706 58.6105 28.1544 178.6439 106 R 3.8737 7.7309 120.0685 59.1726 30.0974 178.4000 107 L 4.0204 8.3912 120.6868 58.1239 42.1315 178.3104 108 D 4.6295 8.6897 117.9865 57.4775 40.9844 178.1465 109 A 4.0412 8.0662 119.9729 55.1563 18.6844 179.2061 110 A 4.3664 7.9026 120.2234 54.8106 18.5794 179.8509 111 L 4.1361 8.6715 118.1434 57.8273 41.5161 179.6558 112 G 3.8839 8.1098 104.0530 46.5868 0.0000 173.9745 113 Q 4.3849 7.7959 119.6132 56.1718 29.0112 174.2720 114 H 4.9285 7.7844 113.9780 54.7351 33.9878 173.1747 115 Q 4.3967 9.1518 119.4598 55.1494 29.3290 175.1284 116 I 4.5441 8.1761 125.2325 59.5740 39.1783 175.6423 117 K 4.3871 8.6288 127.2214 54.3985 34.8241 175.0372 118 W 4.4346 8.6945 127.7234 55.8767 30.4540 175.8183 119 E 4.2643 8.9874 125.1135 54.1862 31.4330 174.9948 120 W 5.2706 8.5209 128.3170 56.1292 29.7502 176.5500 121 V 4.4669 8.8206 119.2969 59.5349 33.2297 176.2026 122 K 4.7603 8.4524 123.6618 56.6321 32.1252 179.0762 123 G 3.7089 8.7247 106.1104 45.8124 0.0000 173.1106 *126 G 3.7495 7.7365 109.0085 45.5799 0.0000 172.4039 127 H 4.8641 8.7816 116.8464 53.5620 31.0023 174.3395 128 P 4.2487 0.0000 0.0000 65.9681 30.9048 178.9260 129 E 3.7603 7.7379 116.9403 59.2232 29.3125 178.9288 130 N 4.5085 7.8921 116.6039 56.2818 38.5836 177.3673 131 E 4.0402 8.0600 119.7135 59.1840 29.6121 179.1182 132 R 3.9006 7.9878 118.9441 59.6324 30.0653 178.4190 133 C 4.2576 8.2100 116.6042 62.7379 27.9872 175.8435 134 D 4.7445 7.9056 121.6563 56.9039 40.3751 178.5703 135 E 3.9587 8.1863 118.9926 59.4104 29.4857 179.3974 136 L 3.9524 8.0903 118.6635 57.8305 41.6719 179.5021 137 A 4.1368 8.2787 120.8031 55.3784 18.2121 179.9760 138 R 3.8751 8.3664 116.5958 59.2170 29.8902 179.1619 139 A 3.9788 8.2403 120.1395 54.9936 18.6173 179.2807 140 A 4.0031 8.2122 119.2208 55.1984 18.2617 179.7368 141 A 4.0818 8.0610 118.3440 55.1065 18.4990 178.7968 142 M 4.3531 7.5416 114.8708 55.5459 33.6248 176.4094 143 N 4.9920 7.9179 117.6167 51.6316 39.6568 172.5268 144 P 4.4068 0.0000 0.0000 63.1365 32.4902 176.9832 145 T 4.4931 8.3984 109.1166 60.8088 70.2035 173.1679 146 L 4.7498 7.2845 121.1125 52.8147 45.4796 174.2657 147 E 4.9126 8.4960 119.9720 54.7164 31.5520 175.7532 148 D 4.8223 8.5588 125.7835 52.7584 39.8832 176.4736 149 T 3.9778 8.3394 114.9232 63.8841 69.0720 176.3877 150 G 3.7967 7.6174 107.3908 45.9366 0.0000 172.9609 151 Y 4.2548 7.8929 122.4486 57.2257 39.0207 174.8657 152 Q 3.9599 8.1636 127.0364 54.0082 28.4828 175.6426 153 V 2.9041 7.7395 122.8921 63.5645 31.5235 175.5856 154 E 4.2934 8.4884 125.4104 55.4104 30.4233 176.3417 155 V 3.6773 7.8172 123.5480 63.3203 32.5936 172.5990 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 L 8.18 4.40 0.00 1.56 1.69 0.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.72 3.91 0.00 1.82 1.68 0.00 1.24 0.00 0.00 1.96 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.55 1.50 7.81 4 Q 9.65 5.17 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.51 0.00 5 V 8.68 4.88 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 0.96 0.00 0.00 0.85 0.00 0.00 6 E 9.10 4.94 0.00 1.94 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 2.20 2.21 0.00 7 I 8.17 5.04 1.62 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.57 0.84 0.00 0.00 8 F 9.21 5.43 0.00 3.01 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 9 T 8.87 5.35 4.35 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 1.28 0.00 0.00 10 D 8.95 4.78 0.00 2.85 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 11 G 8.80 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 0.00 0.00 0.00 0.00 12 S 9.24 5.03 0.00 3.87 3.67 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 0.00 0.00 0.00 13 C 8.39 5.17 0.00 2.97 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 14 L 9.12 4.31 0.00 1.65 1.70 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.42 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 0.00 0.00 0.00 16 N 8.27 5.05 0.00 2.66 2.68 0.00 0.00 6.82 7.69 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 17 P 0.00 4.65 0.00 1.97 1.79 0.00 3.92 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 2.03 2.23 0.00 18 G 8.34 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 19 P 0.00 4.86 0.00 2.09 2.01 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 20 G 9.18 4.42 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 0.00 21 G 9.03 4.68 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 0.00 0.00 0.00 22 Y 8.28 5.56 0.00 3.21 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 G 9.37 4.71 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 24 A 9.57 5.50 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 25 I 9.10 5.13 2.13 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 1.17 0.80 1.03 0.00 0.00 26 L 9.46 5.21 0.00 2.00 1.76 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.35 5.26 0.00 2.00 1.94 0.00 3.12 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 28 Y 8.92 4.87 0.00 2.96 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 29 R 9.54 3.57 0.00 1.30 1.64 0.00 3.20 0.00 0.00 2.97 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.77 0.00 30 G 8.37 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.03 4.16 0.00 2.17 1.92 0.00 3.14 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 32 E 8.66 5.28 0.00 1.81 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 2.26 2.33 0.00 33 K 9.34 4.52 0.00 1.62 1.30 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.39 7.81 34 T 8.08 4.97 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 1.19 0.00 0.00 35 F 9.01 5.21 0.00 3.12 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 36 S 8.97 4.96 0.00 3.78 3.77 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 37 A 6.99 4.32 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 38 G 8.30 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 0.00 0.00 0.00 0.00 39 Y 9.22 5.33 0.00 2.89 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 40 T 9.03 3.91 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 1.27 0.00 0.00 41 R 7.90 4.71 0.00 1.85 1.93 0.00 3.40 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 42 T 8.53 4.10 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 1.18 0.00 0.00 43 T 7.91 4.78 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 0.82 0.00 0.00 44 N 8.66 4.23 0.00 2.82 2.80 0.00 0.00 6.90 6.71 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 45 N 7.86 4.06 0.00 2.38 1.73 0.00 0.00 7.13 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 46 R 7.65 3.86 0.00 1.85 1.83 0.00 3.39 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 47 M 8.04 4.09 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.79 0.00 48 A 8.14 4.08 1.49 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 49 L 7.71 3.87 0.00 1.72 1.45 0.31 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.28 3.73 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.50 0.00 51 A 7.93 3.59 1.53 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 0.00 0.00 52 A 7.52 3.90 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.66 3.53 1.84 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 1.36 0.61 0.84 0.00 0.00 54 V 7.32 3.31 1.65 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 0.42 0.00 0.00 0.69 0.00 0.00 55 A 7.42 3.54 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 56 L 7.93 3.83 0.00 1.81 1.67 0.87 1.05 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 57 E 8.32 4.11 0.00 1.78 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 0.00 2.30 2.48 0.00 58 A 7.23 4.22 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 59 L 7.26 4.14 0.00 1.76 1.58 0.53 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.48 4.51 0.00 1.69 1.78 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.33 7.81 61 E 7.52 4.65 0.00 2.01 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 2.11 2.29 0.00 62 H 8.63 4.47 0.00 3.01 3.30 0.00 5.89 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 9.06 5.09 0.00 2.74 2.82 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 64 E 9.23 4.75 0.00 1.98 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 2.24 0.00 65 V 8.89 4.68 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 0.78 0.00 0.00 0.73 0.00 0.00 66 I 8.06 4.48 1.67 0.00 0.00 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 0.99 0.39 0.78 0.00 0.00 67 L 8.18 4.50 0.00 0.87 0.44 0.22 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.74 5.17 0.00 3.83 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.98 5.41 4.52 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 1.78 0.00 0.00 70 D 8.87 5.62 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 71 S 8.12 4.29 0.00 4.09 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 72 Q 8.77 3.93 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 73 Y 7.97 4.04 0.00 3.14 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 74 V 8.07 3.70 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 1.02 0.00 0.00 75 R 7.31 2.00 0.00 0.83 1.40 0.00 2.43 0.00 0.00 2.71 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.50 0.00 76 Q 7.59 3.29 0.00 1.77 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 77 G 6.83 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 0.00 0.00 0.00 78 I 7.31 3.58 1.49 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 -0.05 0.59 0.00 0.00 79 T 7.13 4.13 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 1.05 0.00 0.00 80 Q 7.44 4.19 0.00 1.31 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.78 0.00 0.00 0.00 0.00 0.00 2.02 1.88 0.00 81 W 6.76 4.00 0.00 1.78 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 0.00 0.00 0.00 82 I 7.07 3.18 1.68 0.00 0.00 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 1.56 1.22 0.85 0.00 0.00 83 H 7.73 4.01 0.00 3.02 3.19 0.00 5.98 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.78 4.33 0.00 2.67 2.75 0.00 0.00 7.08 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 85 W 7.64 4.15 0.00 2.73 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 0.00 0.00 0.00 86 K 7.33 3.90 0.00 1.74 1.83 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.28 7.81 87 A 7.58 4.49 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 88 R 7.42 4.41 0.00 1.95 1.89 0.00 3.26 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 89 G 8.52 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 0.00 0.00 0.00 0.00 90 W 8.23 3.27 0.00 3.47 3.16 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 91 K 7.41 4.92 0.00 1.68 1.64 0.00 1.71 0.00 0.00 1.89 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.57 7.81 92 T 8.78 4.27 4.20 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 1.16 0.00 0.00 93 A 8.42 3.99 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 D 8.03 4.64 0.00 2.64 2.67 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 0.00 0.00 0.00 95 K 7.69 3.89 0.00 1.93 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.53 7.81 96 K 7.65 4.49 0.00 1.80 1.67 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.56 7.81 97 P 0.00 4.58 0.00 1.89 1.94 0.00 3.65 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 2.00 2.10 0.00 98 V 7.81 3.69 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 0.14 0.00 0.00 0.22 0.00 0.00 99 K 8.48 3.95 0.00 1.80 1.82 0.00 2.01 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.56 1.55 7.81 100 N 9.11 4.54 0.00 3.43 3.05 0.00 0.00 6.84 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 0.00 101 V 7.59 3.65 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 0.73 0.00 0.00 0.79 0.00 0.00 102 D 8.07 4.25 0.00 2.85 2.94 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 0.00 103 L 7.82 4.12 0.00 1.59 1.59 0.81 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 104 W 8.48 4.44 0.00 3.54 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 0.00 105 Q 8.29 3.50 0.00 1.83 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 106 R 7.73 3.87 0.00 1.92 2.02 0.00 3.05 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 107 L 8.39 4.02 0.00 1.86 1.99 1.05 1.27 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 0.00 108 D 8.69 4.63 0.00 3.44 3.11 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 0.00 109 A 8.07 4.04 1.38 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 0.00 0.00 110 A 7.90 4.37 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 0.00 111 L 8.67 4.14 0.00 2.00 1.89 1.42 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.11 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 0.00 0.00 0.00 113 Q 7.80 4.38 0.00 2.05 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.52 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 114 H 7.78 4.93 0.00 2.97 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 9.15 4.40 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 116 I 8.18 4.54 1.81 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.72 0.10 0.00 0.00 117 K 8.63 4.39 0.00 1.71 1.47 0.00 1.48 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.33 7.81 118 W 8.69 4.43 0.00 2.45 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 0.00 0.00 0.00 119 E 8.99 4.26 0.00 1.85 1.69 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 2.22 2.25 0.00 120 W 8.52 5.27 0.00 3.26 3.03 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 0.00 0.00 0.00 121 V 8.82 4.47 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 0.81 0.00 0.00 1.12 0.00 0.00 122 K 8.45 4.76 0.00 1.88 1.70 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.38 7.81 123 G 8.72 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 *126 G 7.74 3.75 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 0.00 0.00 0.00 127 H 8.78 4.86 0.00 3.16 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.25 0.00 2.06 2.06 0.00 3.55 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 2.08 2.16 0.00 129 E 7.74 3.76 0.00 1.16 1.12 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 1.65 2.09 0.00 130 N 7.89 4.51 0.00 3.03 2.96 0.00 0.00 6.98 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 0.00 131 E 8.06 4.04 0.00 2.15 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 2.41 2.55 0.00 132 R 7.99 3.90 0.00 2.01 2.05 0.00 3.12 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 1.60 1.71 0.00 133 C 8.21 4.26 0.00 3.30 3.20 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 0.00 134 D 7.91 4.74 0.00 3.00 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 0.00 135 E 8.19 3.96 0.00 2.22 2.00 0.00 0.00 0.00 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 2.36 0.00 136 L 8.09 3.95 0.00 1.91 1.73 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.28 4.14 1.54 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 0.00 0.00 138 R 8.37 3.88 0.00 1.93 2.00 0.00 3.22 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 139 A 8.24 3.98 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 0.00 140 A 8.21 4.00 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 0.00 141 A 8.06 4.08 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 0.00 142 M 7.54 4.35 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.68 0.00 143 N 7.92 4.99 0.00 2.60 2.63 0.00 0.00 7.14 7.21 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 0.00 144 P 0.00 4.41 0.00 2.23 2.13 0.00 3.74 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 145 T 8.40 4.49 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 1.21 0.00 0.00 146 L 7.28 4.75 0.00 0.86 1.37 0.63 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.50 4.91 0.00 1.96 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 2.29 2.36 0.00 148 D 8.56 4.82 0.00 2.65 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 0.00 149 T 8.34 3.98 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 1.27 0.00 0.00 150 G 7.62 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 0.00 151 Y 7.89 4.25 0.00 3.08 3.06 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 0.00 0.00 0.00 152 Q 8.16 3.96 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.62 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 153 V 7.74 2.90 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 0.83 0.00 0.00 0.82 0.00 0.00 154 E 8.49 4.29 0.00 2.04 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 2.27 2.37 0.00 155 V 7.82 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 0.73 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.