NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3981 8.0176 110.9448 60.7937 70.3540 174.5555 6 P 4.0783 0.0000 0.0000 64.8012 31.3182 177.4242 7 F 4.2724 9.1549 121.3328 61.5896 39.6451 177.8148 8 D 4.1411 7.9996 118.0764 57.3414 40.5326 178.9426 9 A 3.9518 7.4979 120.8473 54.9980 18.1721 179.4422 10 L 3.8942 7.8122 118.1263 57.7501 42.1633 178.8409 11 W 4.0811 7.8729 128.1665 60.4223 30.8717 177.6644 12 Q 4.1228 8.3422 118.2638 58.9512 27.6359 179.3938 13 R 3.7581 7.6809 116.9385 57.0313 30.6246 178.4494 *15 L 3.7509 7.8925 119.8208 54.7675 43.2947 178.9508 16 A 3.7738 8.3169 119.6257 54.1055 18.2239 178.1024 17 R 3.8893 6.8120 113.3207 55.8760 30.4713 177.2114 18 G 4.0237 8.6192 107.5787 44.7215 0.0000 174.2681 19 W 4.8490 7.4768 118.4798 57.6911 30.0325 175.4713 20 T 4.5693 8.6496 113.2467 59.3470 70.3088 172.5878 21 P 4.9357 0.0000 0.0000 62.9029 32.3803 176.0841 22 V 4.5700 8.5518 121.4848 60.4905 34.5342 174.4645 23 S 4.7558 8.6004 118.1363 56.3187 65.2816 174.3360 24 E 4.0532 8.7445 122.0815 59.7284 29.3704 181.6293 25 S 4.6212 7.8392 111.7424 57.6105 62.2894 174.9159 26 R 4.6474 9.3148 118.7644 56.5904 36.5967 176.8949 27 L 4.0372 7.8771 119.5103 58.7894 41.8089 178.0085 28 D 4.5210 8.3480 117.5673 58.1742 40.5154 178.5173 29 D 4.3651 8.1134 118.3457 57.2756 41.1771 178.6797 30 W 4.1773 8.2453 128.5883 60.4205 30.7928 177.6301 31 L 3.3994 8.7103 119.7670 58.3478 40.8820 179.7004 32 T 3.8386 7.7710 114.1939 66.3103 68.4471 175.5623 33 Q 4.3162 7.3437 115.6350 55.6634 30.3261 175.9149 34 A 4.3588 7.7285 123.6017 50.0324 19.0808 175.7178 35 P 4.1535 0.0000 0.0000 64.9741 33.1002 176.9635 36 D 5.2384 7.3861 119.4699 53.1129 43.1269 175.3942 37 G 4.6847 8.6027 109.3364 46.2705 0.0000 170.9322 38 V 5.2076 8.4801 112.4372 59.3490 36.2272 175.4105 39 V 4.5460 8.1862 121.9969 61.0122 33.8418 174.5312 40 L 4.4689 8.4616 128.9911 54.3232 42.9687 175.9023 41 L 4.7071 8.4965 123.6339 52.9820 44.0957 175.8287 42 S 5.0325 8.8654 118.4933 57.0421 67.2330 172.6700 43 S 4.9684 8.4878 116.2451 56.3227 66.7633 173.2651 44 D 4.3078 8.4628 119.9117 53.9325 41.2340 175.1300 45 P 4.6622 0.0000 0.0000 64.4906 31.0756 178.5011 46 K 4.1692 7.5966 116.0195 59.0725 32.5842 178.8686 47 R 4.2857 7.9727 116.3823 58.1515 30.6485 176.0374 48 T 4.1826 7.4760 108.6306 59.7407 69.1174 171.4583 49 P 4.7032 0.0000 0.0000 63.8869 31.0668 177.4621 50 E 4.1561 7.8805 117.6823 58.6914 29.4490 179.0047 51 V 3.6935 7.9021 119.2904 65.9278 31.4585 177.7248 52 S 4.4109 7.7455 112.5362 60.4553 61.5750 175.3819 53 D 4.5953 7.8823 121.2717 55.6452 40.5387 177.9098 54 N 4.3885 7.8554 117.4454 56.1131 39.2739 174.2773 55 P 4.8521 0.0000 0.0000 65.7971 31.3828 179.0009 56 V 3.4950 7.0577 110.2866 64.2353 31.3347 177.3823 *58 I 3.9843 7.8175 121.1859 60.9950 39.0131 178.1496 59 G 3.8801 8.2688 106.4931 47.9757 0.0000 175.4150 60 E 4.2208 8.6537 121.4653 59.1829 29.6549 179.1144 61 L 4.0067 7.9575 119.9408 58.4907 42.3057 178.9408 62 L 3.9068 7.7975 118.3602 58.1126 41.3100 179.0089 63 H 4.4321 8.7119 117.3277 58.4578 29.7537 175.4251 64 E 4.6380 8.1776 119.0396 56.4171 29.9141 176.9960 65 F 5.0088 8.5807 117.2587 55.5618 40.2163 173.9894 66 P 4.3924 0.0000 0.0000 65.8312 31.8578 178.2314 67 D 4.2734 7.9574 116.7130 56.7620 40.8434 176.6385 68 Y 4.4140 7.1879 115.0431 56.3059 40.1799 176.2164 69 T 4.2638 7.9687 119.0248 60.2374 66.4450 175.0842 70 W 4.9987 7.8563 120.8438 58.0659 30.3318 177.1284 71 Q 4.7935 9.3844 125.6944 54.2782 31.7151 173.9631 72 V 4.5189 8.5904 125.7902 61.2690 33.3686 174.0102 73 A 4.7746 8.7265 130.2014 49.8733 21.6205 175.2520 74 I 4.7494 8.5517 113.5885 58.8594 41.1992 174.1543 75 A 5.3068 8.2305 124.4425 50.1962 21.5212 176.1157 76 D 5.0010 9.0824 121.7312 52.5442 41.0328 177.6013 77 L 3.7514 8.3161 119.2665 58.0859 41.2606 179.8681 78 E 3.8988 8.0660 117.6411 59.6873 29.6225 179.4075 79 Q 4.0691 8.5890 117.7745 58.7150 28.6968 178.8900 80 S 4.2187 8.6584 117.0904 61.4083 62.7102 176.4899 81 E 4.0484 7.9753 120.9013 59.2250 29.0458 179.1178 82 A 4.0042 7.5462 119.6563 55.2048 18.7820 179.5224 83 I 4.0389 8.0658 118.4811 64.5080 37.2479 178.6652 84 G 3.8527 8.2912 106.6107 48.3309 0.0000 175.4008 85 D 4.1884 8.1804 120.1164 56.5475 40.8873 178.1954 86 R 4.1128 7.7507 117.5610 57.4861 30.1349 176.5530 87 F 4.6862 7.3951 115.0854 56.9578 40.2637 174.9886 88 G 4.0749 8.4497 106.0760 46.4145 0.0000 175.2323 89 A 4.3554 7.7091 123.7000 51.4373 16.5481 177.8049 90 F 4.7458 8.4031 120.0019 57.1410 39.6537 177.1242 91 R 4.5560 7.8740 121.7870 55.0450 30.4672 173.6785 92 F 4.9812 8.4359 121.8372 55.5926 40.6779 173.7785 93 P 4.6443 0.0000 0.0000 62.7586 32.5199 175.2536 94 A 5.1103 8.1719 123.4871 50.5366 23.4115 175.0889 95 T 4.6956 8.8421 115.6615 61.5757 72.2277 173.6074 96 L 4.3452 8.6794 127.6233 54.2994 43.2795 176.1062 97 V 4.5316 8.5945 123.5029 61.0106 34.3138 174.2709 98 F 5.6498 9.3024 125.5544 56.1950 42.9807 174.1565 99 T 4.6377 9.0643 118.5917 62.3906 73.0008 174.3814 100 G 4.1100 10.0172 113.9812 46.7599 0.0000 173.0124 101 G 4.0006 8.4243 101.3882 46.1251 0.0000 174.0134 102 N 5.0560 8.3827 115.5159 51.0362 42.5212 173.7509 103 Y 4.6019 9.0269 123.7082 58.0400 38.2379 175.2112 104 R 4.0520 8.4002 126.2689 55.6140 30.9155 175.7470 105 G 3.2643 5.7043 104.3134 43.6101 0.0000 172.5450 106 V 4.8612 7.7694 118.1643 60.0983 34.6244 174.8235 107 L 4.4653 8.9866 125.7127 53.8792 42.5286 175.2691 108 N 5.2537 8.9867 121.8153 52.1626 39.7208 175.4954 109 G 3.8726 9.1493 107.8497 45.3243 0.0000 172.0200 110 I 4.2830 7.7520 118.0735 59.2511 39.4845 174.1071 111 H 5.0868 8.2864 123.1305 52.4278 32.8184 171.8764 112 P 4.5113 0.0000 0.0000 62.2482 33.2118 177.2844 113 W 4.2776 9.1181 129.6056 61.1702 30.2633 177.8565 114 A 3.8099 8.2719 120.0287 55.2553 17.8299 178.9851 115 E 3.7942 8.0446 116.3855 58.8956 29.5756 178.5358 116 L 3.8173 7.8836 120.2186 58.5068 42.1870 178.7775 117 I 3.7275 6.8900 116.5342 63.7491 37.9458 177.1458 118 N 4.4771 7.6472 118.3654 56.3970 38.5726 177.4127 119 L 4.1076 7.8113 117.0443 55.5931 41.2505 178.7763 *121 R 4.5203 8.0256 120.2590 55.8764 31.6174 176.0691 122 G 3.9673 7.6386 104.4025 45.9560 0.0000 174.8819 123 L 4.1353 7.6164 119.6911 57.2799 42.0301 178.1874 124 V 4.1029 7.5166 108.3087 61.1459 31.6500 175.7202 125 E 4.2165 8.0409 126.7217 56.4831 29.5274 176.1408 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 5 T 8.02 4.40 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 1.25 0.00 0.00 6 P 0.00 4.08 0.00 2.44 2.38 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 7 F 9.15 4.27 0.00 3.06 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 8 D 8.00 4.14 0.00 2.71 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 9 A 7.50 3.95 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 10 L 7.81 3.89 0.00 1.67 1.90 0.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 11 W 7.87 4.08 0.00 2.66 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 12 Q 8.34 4.12 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.67 2.56 0.00 13 R 7.68 3.76 0.00 1.93 1.79 0.00 3.11 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 *15 L 7.89 3.75 0.00 1.69 1.59 0.98 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.32 3.77 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 17 R 6.81 3.89 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.02 0.00 18 G 8.62 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 W 7.48 4.85 0.00 3.10 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.65 4.57 4.26 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 1.31 0.00 0.00 21 P 0.00 4.94 0.00 2.12 2.52 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.95 0.00 22 V 8.55 4.57 1.64 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 0.50 0.00 0.00 0.82 0.00 0.00 23 S 8.60 4.76 0.00 4.03 4.04 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 24 E 8.74 4.05 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.29 0.00 25 S 7.84 4.62 0.00 4.03 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 26 R 9.31 4.65 0.00 1.92 2.00 0.00 3.19 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 27 L 7.88 4.04 0.00 1.86 1.77 0.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.35 4.52 0.00 2.75 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 29 D 8.11 4.37 0.00 2.83 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 30 W 8.25 4.18 0.00 3.45 3.45 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 31 L 8.71 3.40 0.00 1.94 1.49 0.55 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.77 3.84 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 1.16 0.00 0.00 33 Q 7.34 4.32 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.35 0.00 0.00 0.00 0.00 0.00 2.25 2.54 0.00 34 A 7.73 4.36 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.15 0.00 2.07 2.26 0.00 3.42 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 36 D 7.39 5.24 0.00 2.71 2.41 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 37 G 8.60 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 38 V 8.48 5.21 1.82 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 0.09 0.00 0.00 0.46 0.00 0.00 39 V 8.19 4.55 1.97 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 0.85 0.00 0.00 0.96 0.00 0.00 40 L 8.46 4.47 0.00 1.53 1.46 0.37 0.21 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 41 L 8.50 4.71 0.00 0.54 0.43 0.74 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.87 5.03 0.00 3.92 3.86 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 43 S 8.49 4.97 0.00 3.85 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.46 4.31 0.00 2.66 2.53 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 45 P 0.00 4.66 0.00 2.33 2.19 0.00 3.80 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 46 K 7.60 4.17 0.00 1.77 1.87 0.00 1.60 0.00 0.00 2.11 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.52 7.81 47 R 7.97 4.29 0.00 1.78 2.11 0.00 3.32 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 48 T 7.48 4.18 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 1.32 0.00 0.00 49 P 0.00 4.70 0.00 2.33 2.31 0.00 3.94 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 2.09 1.94 0.00 50 E 7.88 4.16 0.00 2.09 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 2.35 2.48 0.00 51 V 7.90 3.69 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 1.22 0.00 0.00 1.12 0.00 0.00 52 S 7.75 4.41 0.00 4.07 3.94 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 53 D 7.88 4.60 0.00 2.93 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 54 N 7.86 4.39 0.00 2.93 2.88 0.00 0.00 7.14 6.97 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 55 P 0.00 4.85 0.00 2.21 2.10 0.00 3.80 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.30 0.00 56 V 7.06 3.49 2.13 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 0.99 0.00 0.00 0.94 0.00 0.00 *58 I 7.82 3.98 1.76 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 1.15 0.86 0.52 0.00 0.00 59 G 8.27 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 60 E 8.65 4.22 0.00 2.27 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 0.00 2.70 2.58 0.00 61 L 7.96 4.01 0.00 1.75 1.71 0.94 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.80 3.91 0.00 1.78 1.68 0.61 -0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.71 4.43 0.00 3.25 3.62 0.00 5.74 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.18 4.64 0.00 2.34 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 2.91 2.81 0.00 65 F 8.58 5.01 0.00 3.73 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 66 P 0.00 4.39 0.00 2.04 2.16 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.27 0.00 67 D 7.96 4.27 0.00 2.32 1.80 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 68 Y 7.19 4.41 0.00 1.43 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 69 T 7.97 4.26 4.21 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 1.15 0.00 0.00 70 W 7.86 5.00 0.00 3.30 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.38 4.79 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 72 V 8.59 4.52 1.08 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 -0.71 0.00 0.00 0.44 0.00 0.00 73 A 8.73 4.77 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.55 4.75 1.71 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.57 0.95 0.00 0.00 75 A 8.23 5.31 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 76 D 9.08 5.00 0.00 2.74 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 0.00 0.00 0.00 0.00 77 L 8.32 3.75 0.00 1.45 1.54 0.35 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.07 3.90 0.00 2.01 1.97 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 2.35 2.41 0.00 79 Q 8.59 4.07 0.00 2.41 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 80 S 8.66 4.22 0.00 4.19 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 0.00 81 E 7.98 4.05 0.00 2.28 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 2.25 2.52 0.00 82 A 7.55 4.00 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 83 I 8.07 4.04 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 1.54 0.90 0.93 0.00 0.00 84 G 8.29 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 85 D 8.18 4.19 0.00 2.66 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 86 R 7.75 4.11 0.00 1.78 2.15 0.00 3.12 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.38 0.00 87 F 7.40 4.69 0.00 2.88 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 88 G 8.45 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 89 A 7.71 4.36 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 90 F 8.40 4.75 0.00 3.10 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 91 R 7.87 4.56 0.00 1.79 1.91 0.00 3.34 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 92 F 8.44 4.98 0.00 2.87 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 93 P 0.00 4.64 0.00 2.05 1.94 0.00 3.57 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.15 0.00 94 A 8.17 5.11 1.09 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 0.00 0.00 95 T 8.84 4.70 4.04 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 0.93 0.00 0.00 96 L 8.68 4.35 0.00 1.42 0.98 0.02 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.59 4.53 1.87 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 0.91 0.00 0.00 0.74 0.00 0.00 98 F 9.30 5.65 0.00 3.32 2.93 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 99 T 9.06 4.64 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 1.31 0.00 0.00 100 G 10.02 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.42 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 0.00 102 N 8.38 5.06 0.00 3.01 2.75 0.00 0.00 6.71 6.99 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 0.00 103 Y 9.03 4.60 0.00 3.31 3.10 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 0.00 104 R 8.40 4.05 0.00 1.68 1.97 0.00 3.33 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 105 G 5.70 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 7.77 4.86 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 0.82 0.00 0.00 0.90 0.00 0.00 107 L 8.99 4.47 0.00 1.46 1.58 0.71 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.99 5.25 0.00 2.94 2.80 0.00 0.00 6.47 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 9.15 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 0.00 110 I 7.75 4.28 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.97 0.89 0.00 0.00 111 H 8.29 5.09 0.00 3.08 3.15 0.00 5.96 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.51 0.00 2.22 2.05 0.00 3.68 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 2.16 2.19 0.00 113 W 9.12 4.28 0.00 3.45 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 0.00 114 A 8.27 3.81 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 0.00 115 E 8.04 3.79 0.00 2.00 1.90 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 2.35 2.28 0.00 116 L 7.88 3.82 0.00 1.82 1.59 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 117 I 6.89 3.73 1.23 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 1.37 1.20 0.41 0.00 0.00 118 N 7.65 4.48 0.00 2.66 3.00 0.00 0.00 7.09 6.67 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 0.00 119 L 7.81 4.11 0.00 1.74 1.55 0.65 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 *121 R 8.03 4.52 0.00 2.06 2.19 0.00 3.30 0.00 0.00 3.39 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.91 0.00 122 G 7.64 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 0.00 123 L 7.62 4.14 0.00 1.49 1.59 0.75 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.52 4.10 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 0.50 0.00 0.00 1.02 0.00 0.00 125 E 8.04 4.22 0.00 2.23 1.84 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 2.30 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.